USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 818 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 THR OG1 : rot 119:sc= 0.426 USER MOD Single : A 8 TYR OH : rot 180:sc= -0.0872 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot -24:sc= 1.19 USER MOD Single : A 25 ASN : amide:sc= -0.312 K(o=-0.31,f=-1.8!) USER MOD Single : A 27 SER OG : rot 53:sc= 1.49 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -4.4! C(o=-4.4!,f=-6.7!) USER MOD Single : A 32 TYR OH : rot 180:sc= -1.58! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 159:sc= 0.0183 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 164:sc= -0.0194 (180deg=-0.505) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0793 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.705 K(o=-0.71,f=-0.025) USER MOD Single : A 78 MET CE :methyl -162:sc= -0.969 (180deg=-1.18) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0169 USER MOD Single : A 91 GLN : amide:sc= -0.507 K(o=-0.51,f=-1.5) USER MOD Single : A 93 LYS NZ :NH3+ 148:sc= 1.15 (180deg=0.362) USER MOD Single : A 95 GLN : amide:sc= -1.55 K(o=-1.6,f=-2.1!) USER MOD Single : A 96 THR OG1 : rot -95:sc= 0.89 USER MOD Single : B 1 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.551) USER MOD Single : B -4 SER OG : rot 180:sc= 0 USER MOD Single : B -7 PHE N :NH3+ 171:sc= -0.105 (180deg=-0.323) USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 2 6.344 -10.230 -7.503 1.00 21.34 N ATOM 43 CA LEU A 2 7.658 -9.865 -8.020 1.00 64.50 C ATOM 44 C LEU A 2 8.651 -11.010 -7.842 1.00 75.32 C ATOM 45 O LEU A 2 8.570 -11.771 -6.878 1.00 22.14 O ATOM 46 CB LEU A 2 8.177 -8.612 -7.313 1.00 54.20 C ATOM 47 CG LEU A 2 8.556 -8.780 -5.841 1.00 42.34 C ATOM 48 CD1 LEU A 2 10.059 -8.638 -5.658 1.00 63.13 C ATOM 49 CD2 LEU A 2 7.815 -7.768 -4.980 1.00 55.55 C ATOM 0 HA LEU A 2 7.556 -9.658 -9.085 1.00 64.50 H new ATOM 0 HB2 LEU A 2 9.052 -8.250 -7.854 1.00 54.20 H new ATOM 0 HB3 LEU A 2 7.414 -7.836 -7.385 1.00 54.20 H new ATOM 0 HG LEU A 2 8.264 -9.781 -5.523 1.00 42.34 H new ATOM 0 HD11 LEU A 2 10.310 -8.760 -4.604 1.00 63.13 H new ATOM 0 HD12 LEU A 2 10.571 -9.401 -6.244 1.00 63.13 H new ATOM 0 HD13 LEU A 2 10.375 -7.650 -5.994 1.00 63.13 H new ATOM 0 HD21 LEU A 2 8.097 -7.903 -3.936 1.00 55.55 H new ATOM 0 HD22 LEU A 2 8.076 -6.759 -5.299 1.00 55.55 H new ATOM 0 HD23 LEU A 2 6.741 -7.916 -5.087 1.00 55.55 H new ATOM 61 N PHE A 3 9.587 -11.125 -8.778 1.00 21.41 N ATOM 62 CA PHE A 3 10.596 -12.177 -8.724 1.00 44.41 C ATOM 63 C PHE A 3 12.001 -11.587 -8.810 1.00 41.20 C ATOM 64 O PHE A 3 12.193 -10.484 -9.321 1.00 55.04 O ATOM 65 CB PHE A 3 10.381 -13.178 -9.861 1.00 22.13 C ATOM 66 CG PHE A 3 9.165 -14.040 -9.678 1.00 54.20 C ATOM 67 CD1 PHE A 3 7.899 -13.537 -9.932 1.00 13.31 C ATOM 68 CD2 PHE A 3 9.287 -15.353 -9.253 1.00 52.21 C ATOM 69 CE1 PHE A 3 6.778 -14.327 -9.764 1.00 33.32 C ATOM 70 CE2 PHE A 3 8.169 -16.148 -9.084 1.00 22.44 C ATOM 71 CZ PHE A 3 6.913 -15.635 -9.340 1.00 61.14 C ATOM 0 H PHE A 3 9.668 -10.503 -9.583 1.00 21.41 H new ATOM 0 HA PHE A 3 10.495 -12.694 -7.770 1.00 44.41 H new ATOM 0 HB2 PHE A 3 10.293 -12.634 -10.801 1.00 22.13 H new ATOM 0 HB3 PHE A 3 11.260 -13.817 -9.943 1.00 22.13 H new ATOM 0 HD1 PHE A 3 7.787 -12.516 -10.265 1.00 13.31 H new ATOM 0 HD2 PHE A 3 10.267 -15.760 -9.051 1.00 52.21 H new ATOM 0 HE1 PHE A 3 5.797 -13.922 -9.964 1.00 33.32 H new ATOM 0 HE2 PHE A 3 8.278 -17.170 -8.752 1.00 22.44 H new ATOM 0 HZ PHE A 3 6.038 -16.255 -9.209 1.00 61.14 H new ATOM 81 N ALA A 4 12.980 -12.330 -8.305 1.00 63.00 N ATOM 82 CA ALA A 4 14.367 -11.882 -8.326 1.00 23.55 C ATOM 83 C ALA A 4 15.295 -12.992 -8.809 1.00 1.00 C ATOM 84 O ALA A 4 14.970 -14.175 -8.709 1.00 15.03 O ATOM 85 CB ALA A 4 14.788 -11.405 -6.944 1.00 2.34 C ATOM 0 H ALA A 4 12.838 -13.245 -7.876 1.00 63.00 H new ATOM 0 HA ALA A 4 14.444 -11.049 -9.025 1.00 23.55 H new ATOM 0 HB1 ALA A 4 15.826 -11.073 -6.974 1.00 2.34 H new ATOM 0 HB2 ALA A 4 14.151 -10.576 -6.635 1.00 2.34 H new ATOM 0 HB3 ALA A 4 14.689 -12.223 -6.231 1.00 2.34 H new ATOM 91 N VAL A 5 16.452 -12.602 -9.335 1.00 23.45 N ATOM 92 CA VAL A 5 17.428 -13.564 -9.833 1.00 73.44 C ATOM 93 C VAL A 5 18.777 -13.386 -9.146 1.00 51.44 C ATOM 94 O VAL A 5 19.377 -12.312 -9.201 1.00 43.23 O ATOM 95 CB VAL A 5 17.618 -13.432 -11.356 1.00 71.42 C ATOM 96 CG1 VAL A 5 17.992 -12.005 -11.726 1.00 72.21 C ATOM 97 CG2 VAL A 5 18.672 -14.413 -11.848 1.00 11.10 C ATOM 0 H VAL A 5 16.736 -11.627 -9.427 1.00 23.45 H new ATOM 0 HA VAL A 5 17.038 -14.556 -9.607 1.00 73.44 H new ATOM 0 HB VAL A 5 16.674 -13.673 -11.845 1.00 71.42 H new ATOM 0 HG11 VAL A 5 18.122 -11.931 -12.806 1.00 72.21 H new ATOM 0 HG12 VAL A 5 17.199 -11.327 -11.409 1.00 72.21 H new ATOM 0 HG13 VAL A 5 18.923 -11.732 -11.229 1.00 72.21 H new ATOM 0 HG21 VAL A 5 18.793 -14.306 -12.926 1.00 11.10 H new ATOM 0 HG22 VAL A 5 19.621 -14.206 -11.354 1.00 11.10 H new ATOM 0 HG23 VAL A 5 18.358 -15.431 -11.617 1.00 11.10 H new ATOM 107 N THR A 6 19.250 -14.446 -8.499 1.00 2.24 N ATOM 108 CA THR A 6 20.528 -14.407 -7.800 1.00 4.42 C ATOM 109 C THR A 6 21.683 -14.206 -8.775 1.00 75.33 C ATOM 110 O THR A 6 21.688 -14.769 -9.871 1.00 74.01 O ATOM 111 CB THR A 6 20.769 -15.698 -6.996 1.00 20.31 C ATOM 112 OG1 THR A 6 19.996 -16.770 -7.548 1.00 65.11 O ATOM 113 CG2 THR A 6 20.400 -15.502 -5.533 1.00 44.11 C ATOM 0 H THR A 6 18.767 -15.343 -8.445 1.00 2.24 H new ATOM 0 HA THR A 6 20.485 -13.562 -7.112 1.00 4.42 H new ATOM 0 HB THR A 6 21.829 -15.945 -7.057 1.00 20.31 H new ATOM 0 HG1 THR A 6 20.595 -17.485 -7.847 1.00 65.11 H new ATOM 0 HG21 THR A 6 20.579 -16.427 -4.986 1.00 44.11 H new ATOM 0 HG22 THR A 6 21.010 -14.705 -5.108 1.00 44.11 H new ATOM 0 HG23 THR A 6 19.347 -15.233 -5.456 1.00 44.11 H new ATOM 121 N LEU A 7 22.660 -13.402 -8.371 1.00 73.32 N ATOM 122 CA LEU A 7 23.821 -13.128 -9.210 1.00 63.22 C ATOM 123 C LEU A 7 25.100 -13.639 -8.554 1.00 11.13 C ATOM 124 O LEU A 7 26.144 -13.737 -9.198 1.00 62.45 O ATOM 125 CB LEU A 7 23.937 -11.627 -9.480 1.00 23.01 C ATOM 126 CG LEU A 7 22.621 -10.882 -9.704 1.00 2.53 C ATOM 127 CD1 LEU A 7 22.854 -9.379 -9.713 1.00 51.34 C ATOM 128 CD2 LEU A 7 21.968 -11.330 -11.003 1.00 21.42 C ATOM 0 H LEU A 7 22.671 -12.928 -7.468 1.00 73.32 H new ATOM 0 HA LEU A 7 23.686 -13.652 -10.156 1.00 63.22 H new ATOM 0 HB2 LEU A 7 24.454 -11.166 -8.639 1.00 23.01 H new ATOM 0 HB3 LEU A 7 24.567 -11.484 -10.358 1.00 23.01 H new ATOM 0 HG LEU A 7 21.947 -11.120 -8.881 1.00 2.53 H new ATOM 0 HD11 LEU A 7 21.906 -8.865 -9.874 1.00 51.34 H new ATOM 0 HD12 LEU A 7 23.277 -9.071 -8.757 1.00 51.34 H new ATOM 0 HD13 LEU A 7 23.546 -9.123 -10.515 1.00 51.34 H new ATOM 0 HD21 LEU A 7 21.033 -10.789 -11.145 1.00 21.42 H new ATOM 0 HD22 LEU A 7 22.638 -11.123 -11.837 1.00 21.42 H new ATOM 0 HD23 LEU A 7 21.765 -12.400 -10.958 1.00 21.42 H new ATOM 140 N TYR A 8 25.010 -13.964 -7.269 1.00 72.10 N ATOM 141 CA TYR A 8 26.159 -14.465 -6.525 1.00 4.21 C ATOM 142 C TYR A 8 25.774 -15.672 -5.675 1.00 5.22 C ATOM 143 O TYR A 8 24.603 -15.872 -5.357 1.00 12.53 O ATOM 144 CB TYR A 8 26.736 -13.363 -5.635 1.00 3.04 C ATOM 145 CG TYR A 8 26.925 -12.044 -6.349 1.00 45.02 C ATOM 146 CD1 TYR A 8 28.117 -11.749 -7.000 1.00 3.22 C ATOM 147 CD2 TYR A 8 25.913 -11.093 -6.373 1.00 3.40 C ATOM 148 CE1 TYR A 8 28.295 -10.545 -7.654 1.00 0.25 C ATOM 149 CE2 TYR A 8 26.082 -9.887 -7.025 1.00 54.33 C ATOM 150 CZ TYR A 8 27.274 -9.617 -7.664 1.00 22.32 C ATOM 151 OH TYR A 8 27.446 -8.417 -8.314 1.00 4.44 O ATOM 0 H TYR A 8 24.153 -13.889 -6.721 1.00 72.10 H new ATOM 0 HA TYR A 8 26.917 -14.777 -7.243 1.00 4.21 H new ATOM 0 HB2 TYR A 8 26.074 -13.213 -4.782 1.00 3.04 H new ATOM 0 HB3 TYR A 8 27.696 -13.693 -5.239 1.00 3.04 H new ATOM 0 HD1 TYR A 8 28.918 -12.473 -6.995 1.00 3.22 H new ATOM 0 HD2 TYR A 8 24.978 -11.300 -5.873 1.00 3.40 H new ATOM 0 HE1 TYR A 8 29.228 -10.332 -8.154 1.00 0.25 H new ATOM 0 HE2 TYR A 8 25.284 -9.159 -7.034 1.00 54.33 H new ATOM 0 HH TYR A 8 26.632 -7.878 -8.227 1.00 4.44 H new ATOM 161 N GLU A 9 26.771 -16.473 -5.310 1.00 51.34 N ATOM 162 CA GLU A 9 26.537 -17.660 -4.497 1.00 62.32 C ATOM 163 C GLU A 9 26.480 -17.302 -3.015 1.00 32.11 C ATOM 164 O GLU A 9 27.506 -17.034 -2.389 1.00 52.15 O ATOM 165 CB GLU A 9 27.636 -18.697 -4.741 1.00 3.45 C ATOM 166 CG GLU A 9 27.604 -19.859 -3.763 1.00 31.23 C ATOM 167 CD GLU A 9 27.640 -21.207 -4.457 1.00 45.30 C ATOM 168 OE1 GLU A 9 28.752 -21.684 -4.766 1.00 64.03 O ATOM 169 OE2 GLU A 9 26.558 -21.784 -4.691 1.00 42.43 O ATOM 0 H GLU A 9 27.747 -16.321 -5.564 1.00 51.34 H new ATOM 0 HA GLU A 9 25.576 -18.084 -4.787 1.00 62.32 H new ATOM 0 HB2 GLU A 9 27.540 -19.084 -5.755 1.00 3.45 H new ATOM 0 HB3 GLU A 9 28.607 -18.206 -4.678 1.00 3.45 H new ATOM 0 HG2 GLU A 9 28.453 -19.781 -3.084 1.00 31.23 H new ATOM 0 HG3 GLU A 9 26.702 -19.792 -3.154 1.00 31.23 H new ATOM 176 N PHE A 10 25.273 -17.299 -2.459 1.00 74.43 N ATOM 177 CA PHE A 10 25.080 -16.973 -1.051 1.00 51.22 C ATOM 178 C PHE A 10 25.243 -18.213 -0.178 1.00 31.41 C ATOM 179 O PHE A 10 24.685 -19.271 -0.471 1.00 31.11 O ATOM 180 CB PHE A 10 23.695 -16.360 -0.833 1.00 1.22 C ATOM 181 CG PHE A 10 23.551 -15.659 0.488 1.00 20.40 C ATOM 182 CD1 PHE A 10 24.451 -14.676 0.868 1.00 72.54 C ATOM 183 CD2 PHE A 10 22.516 -15.984 1.350 1.00 53.42 C ATOM 184 CE1 PHE A 10 24.321 -14.031 2.083 1.00 71.12 C ATOM 185 CE2 PHE A 10 22.380 -15.341 2.566 1.00 24.22 C ATOM 186 CZ PHE A 10 23.284 -14.363 2.933 1.00 52.14 C ATOM 0 H PHE A 10 24.414 -17.519 -2.962 1.00 74.43 H new ATOM 0 HA PHE A 10 25.841 -16.247 -0.765 1.00 51.22 H new ATOM 0 HB2 PHE A 10 23.490 -15.652 -1.636 1.00 1.22 H new ATOM 0 HB3 PHE A 10 22.943 -17.146 -0.902 1.00 1.22 H new ATOM 0 HD1 PHE A 10 25.263 -14.411 0.207 1.00 72.54 H new ATOM 0 HD2 PHE A 10 21.807 -16.749 1.068 1.00 53.42 H new ATOM 0 HE1 PHE A 10 25.030 -13.268 2.368 1.00 71.12 H new ATOM 0 HE2 PHE A 10 21.568 -15.603 3.228 1.00 24.22 H new ATOM 0 HZ PHE A 10 23.180 -13.859 3.883 1.00 52.14 H new ATOM 196 N LYS A 11 26.012 -18.076 0.897 1.00 62.13 N ATOM 197 CA LYS A 11 26.250 -19.184 1.815 1.00 52.33 C ATOM 198 C LYS A 11 25.614 -18.910 3.174 1.00 4.40 C ATOM 199 O LYS A 11 26.184 -18.202 4.004 1.00 14.23 O ATOM 200 CB LYS A 11 27.752 -19.422 1.981 1.00 44.00 C ATOM 201 CG LYS A 11 28.489 -19.604 0.665 1.00 34.30 C ATOM 202 CD LYS A 11 29.146 -18.312 0.210 1.00 55.11 C ATOM 203 CE LYS A 11 30.623 -18.281 0.570 1.00 50.10 C ATOM 204 NZ LYS A 11 30.855 -17.674 1.910 1.00 33.10 N ATOM 0 H LYS A 11 26.481 -17.208 1.154 1.00 62.13 H new ATOM 0 HA LYS A 11 25.792 -20.078 1.393 1.00 52.33 H new ATOM 0 HB2 LYS A 11 28.188 -18.579 2.518 1.00 44.00 H new ATOM 0 HB3 LYS A 11 27.905 -20.307 2.599 1.00 44.00 H new ATOM 0 HG2 LYS A 11 29.247 -20.379 0.776 1.00 34.30 H new ATOM 0 HG3 LYS A 11 27.792 -19.947 -0.099 1.00 34.30 H new ATOM 0 HD2 LYS A 11 29.031 -18.204 -0.869 1.00 55.11 H new ATOM 0 HD3 LYS A 11 28.640 -17.463 0.671 1.00 55.11 H new ATOM 0 HE2 LYS A 11 31.021 -19.296 0.557 1.00 50.10 H new ATOM 0 HE3 LYS A 11 31.169 -17.715 -0.185 1.00 50.10 H new ATOM 0 HZ1 LYS A 11 31.874 -17.671 2.118 1.00 33.10 H new ATOM 0 HZ2 LYS A 11 30.498 -16.697 1.915 1.00 33.10 H new ATOM 0 HZ3 LYS A 11 30.355 -18.229 2.634 1.00 33.10 H new ATOM 218 N ALA A 12 24.432 -19.476 3.395 1.00 45.14 N ATOM 219 CA ALA A 12 23.722 -19.295 4.655 1.00 60.15 C ATOM 220 C ALA A 12 24.610 -19.654 5.842 1.00 55.24 C ATOM 221 O ALA A 12 25.596 -20.374 5.694 1.00 3.05 O ATOM 222 CB ALA A 12 22.453 -20.134 4.670 1.00 53.23 C ATOM 0 H ALA A 12 23.946 -20.064 2.718 1.00 45.14 H new ATOM 0 HA ALA A 12 23.450 -18.243 4.743 1.00 60.15 H new ATOM 0 HB1 ALA A 12 21.932 -19.989 5.617 1.00 53.23 H new ATOM 0 HB2 ALA A 12 21.805 -19.828 3.849 1.00 53.23 H new ATOM 0 HB3 ALA A 12 22.711 -21.187 4.555 1.00 53.23 H new ATOM 228 N GLU A 13 24.252 -19.146 7.017 1.00 52.11 N ATOM 229 CA GLU A 13 25.018 -19.413 8.229 1.00 40.55 C ATOM 230 C GLU A 13 24.181 -20.188 9.242 1.00 41.10 C ATOM 231 O GLU A 13 24.718 -20.880 10.107 1.00 5.51 O ATOM 232 CB GLU A 13 25.505 -18.102 8.849 1.00 1.44 C ATOM 233 CG GLU A 13 24.381 -17.144 9.209 1.00 25.12 C ATOM 234 CD GLU A 13 23.894 -17.326 10.633 1.00 11.35 C ATOM 235 OE1 GLU A 13 24.703 -17.739 11.490 1.00 10.11 O ATOM 236 OE2 GLU A 13 22.702 -17.054 10.891 1.00 4.11 O ATOM 0 H GLU A 13 23.437 -18.548 7.155 1.00 52.11 H new ATOM 0 HA GLU A 13 25.881 -20.021 7.957 1.00 40.55 H new ATOM 0 HB2 GLU A 13 26.081 -18.326 9.747 1.00 1.44 H new ATOM 0 HB3 GLU A 13 26.182 -17.609 8.151 1.00 1.44 H new ATOM 0 HG2 GLU A 13 24.726 -16.119 9.075 1.00 25.12 H new ATOM 0 HG3 GLU A 13 23.548 -17.293 8.522 1.00 25.12 H new ATOM 243 N ARG A 14 22.863 -20.067 9.128 1.00 14.50 N ATOM 244 CA ARG A 14 21.951 -20.754 10.035 1.00 51.24 C ATOM 245 C ARG A 14 20.728 -21.274 9.285 1.00 51.12 C ATOM 246 O ARG A 14 20.629 -21.133 8.066 1.00 74.32 O ATOM 247 CB ARG A 14 21.511 -19.814 11.159 1.00 25.42 C ATOM 248 CG ARG A 14 22.566 -19.619 12.236 1.00 32.04 C ATOM 249 CD ARG A 14 22.339 -20.555 13.414 1.00 45.43 C ATOM 250 NE ARG A 14 21.113 -20.234 14.139 1.00 23.35 N ATOM 251 CZ ARG A 14 20.977 -19.166 14.917 1.00 23.23 C ATOM 252 NH1 ARG A 14 21.987 -18.320 15.069 1.00 15.30 N ATOM 253 NH2 ARG A 14 19.830 -18.943 15.545 1.00 52.31 N ATOM 0 H ARG A 14 22.402 -19.500 8.416 1.00 14.50 H new ATOM 0 HA ARG A 14 22.480 -21.604 10.467 1.00 51.24 H new ATOM 0 HB2 ARG A 14 21.256 -18.844 10.732 1.00 25.42 H new ATOM 0 HB3 ARG A 14 20.604 -20.208 11.617 1.00 25.42 H new ATOM 0 HG2 ARG A 14 23.555 -19.796 11.814 1.00 32.04 H new ATOM 0 HG3 ARG A 14 22.548 -18.586 12.582 1.00 32.04 H new ATOM 0 HD2 ARG A 14 22.290 -21.583 13.056 1.00 45.43 H new ATOM 0 HD3 ARG A 14 23.189 -20.495 14.094 1.00 45.43 H new ATOM 0 HE ARG A 14 20.317 -20.865 14.043 1.00 23.35 H new ATOM 0 HH11 ARG A 14 22.870 -18.489 14.588 1.00 15.30 H new ATOM 0 HH12 ARG A 14 21.880 -17.501 15.667 1.00 15.30 H new ATOM 0 HH21 ARG A 14 19.051 -19.592 15.431 1.00 52.31 H new ATOM 0 HH22 ARG A 14 19.727 -18.123 16.142 1.00 52.31 H new ATOM 267 N ASP A 15 19.800 -21.875 10.022 1.00 63.15 N ATOM 268 CA ASP A 15 18.584 -22.416 9.427 1.00 55.01 C ATOM 269 C ASP A 15 17.806 -21.327 8.695 1.00 51.32 C ATOM 270 O ASP A 15 17.354 -21.524 7.567 1.00 65.14 O ATOM 271 CB ASP A 15 17.703 -23.052 10.504 1.00 63.22 C ATOM 272 CG ASP A 15 18.402 -24.186 11.228 1.00 64.15 C ATOM 273 OD1 ASP A 15 18.668 -25.224 10.586 1.00 4.03 O ATOM 274 OD2 ASP A 15 18.683 -24.036 12.435 1.00 32.14 O ATOM 0 H ASP A 15 19.867 -22.000 11.032 1.00 63.15 H new ATOM 0 HA ASP A 15 18.872 -23.180 8.705 1.00 55.01 H new ATOM 0 HB2 ASP A 15 17.410 -22.290 11.226 1.00 63.22 H new ATOM 0 HB3 ASP A 15 16.788 -23.427 10.046 1.00 63.22 H new ATOM 279 N ASP A 16 17.653 -20.178 9.345 1.00 74.25 N ATOM 280 CA ASP A 16 16.929 -19.057 8.756 1.00 64.24 C ATOM 281 C ASP A 16 17.472 -18.729 7.368 1.00 21.11 C ATOM 282 O ASP A 16 16.718 -18.653 6.399 1.00 71.21 O ATOM 283 CB ASP A 16 17.028 -17.827 9.659 1.00 25.35 C ATOM 284 CG ASP A 16 16.717 -18.147 11.108 1.00 21.13 C ATOM 285 OD1 ASP A 16 15.520 -18.234 11.453 1.00 13.21 O ATOM 286 OD2 ASP A 16 17.671 -18.311 11.897 1.00 32.53 O ATOM 0 H ASP A 16 18.020 -19.999 10.279 1.00 74.25 H new ATOM 0 HA ASP A 16 15.882 -19.343 8.659 1.00 64.24 H new ATOM 0 HB2 ASP A 16 18.032 -17.409 9.590 1.00 25.35 H new ATOM 0 HB3 ASP A 16 16.338 -17.062 9.303 1.00 25.35 H new ATOM 291 N GLU A 17 18.784 -18.535 7.282 1.00 4.32 N ATOM 292 CA GLU A 17 19.427 -18.213 6.013 1.00 13.33 C ATOM 293 C GLU A 17 19.346 -19.392 5.048 1.00 0.10 C ATOM 294 O GLU A 17 19.300 -20.549 5.466 1.00 33.55 O ATOM 295 CB GLU A 17 20.889 -17.825 6.241 1.00 42.44 C ATOM 296 CG GLU A 17 21.064 -16.455 6.874 1.00 41.53 C ATOM 297 CD GLU A 17 20.563 -16.405 8.304 1.00 10.40 C ATOM 298 OE1 GLU A 17 20.716 -17.414 9.022 1.00 32.35 O ATOM 299 OE2 GLU A 17 20.018 -15.355 8.705 1.00 50.43 O ATOM 0 H GLU A 17 19.422 -18.595 8.075 1.00 4.32 H new ATOM 0 HA GLU A 17 18.899 -17.368 5.571 1.00 13.33 H new ATOM 0 HB2 GLU A 17 21.359 -18.573 6.879 1.00 42.44 H new ATOM 0 HB3 GLU A 17 21.414 -17.844 5.286 1.00 42.44 H new ATOM 0 HG2 GLU A 17 22.119 -16.181 6.853 1.00 41.53 H new ATOM 0 HG3 GLU A 17 20.530 -15.713 6.280 1.00 41.53 H new ATOM 306 N LEU A 18 19.329 -19.090 3.755 1.00 41.34 N ATOM 307 CA LEU A 18 19.253 -20.124 2.728 1.00 5.42 C ATOM 308 C LEU A 18 20.392 -19.978 1.724 1.00 51.14 C ATOM 309 O LEU A 18 20.892 -18.877 1.493 1.00 41.15 O ATOM 310 CB LEU A 18 17.908 -20.054 2.005 1.00 75.23 C ATOM 311 CG LEU A 18 17.552 -21.259 1.132 1.00 15.44 C ATOM 312 CD1 LEU A 18 16.987 -22.385 1.983 1.00 34.51 C ATOM 313 CD2 LEU A 18 16.561 -20.858 0.049 1.00 62.04 C ATOM 0 H LEU A 18 19.367 -18.138 3.392 1.00 41.34 H new ATOM 0 HA LEU A 18 19.346 -21.094 3.216 1.00 5.42 H new ATOM 0 HB2 LEU A 18 17.123 -19.926 2.751 1.00 75.23 H new ATOM 0 HB3 LEU A 18 17.901 -19.162 1.379 1.00 75.23 H new ATOM 0 HG LEU A 18 18.462 -21.616 0.650 1.00 15.44 H new ATOM 0 HD11 LEU A 18 16.739 -23.234 1.346 1.00 34.51 H new ATOM 0 HD12 LEU A 18 17.728 -22.690 2.722 1.00 34.51 H new ATOM 0 HD13 LEU A 18 16.088 -22.040 2.493 1.00 34.51 H new ATOM 0 HD21 LEU A 18 16.319 -21.727 -0.563 1.00 62.04 H new ATOM 0 HD22 LEU A 18 15.651 -20.475 0.512 1.00 62.04 H new ATOM 0 HD23 LEU A 18 17.002 -20.084 -0.579 1.00 62.04 H new ATOM 325 N ASP A 19 20.795 -21.095 1.128 1.00 11.10 N ATOM 326 CA ASP A 19 21.872 -21.091 0.145 1.00 22.51 C ATOM 327 C ASP A 19 21.314 -21.004 -1.272 1.00 44.01 C ATOM 328 O ASP A 19 20.281 -21.597 -1.581 1.00 51.05 O ATOM 329 CB ASP A 19 22.730 -22.349 0.292 1.00 34.43 C ATOM 330 CG ASP A 19 23.598 -22.604 -0.924 1.00 51.12 C ATOM 331 OD1 ASP A 19 23.081 -23.159 -1.917 1.00 24.45 O ATOM 332 OD2 ASP A 19 24.794 -22.247 -0.884 1.00 54.32 O ATOM 0 H ASP A 19 20.392 -22.015 1.308 1.00 11.10 H new ATOM 0 HA ASP A 19 22.493 -20.214 0.326 1.00 22.51 H new ATOM 0 HB2 ASP A 19 23.364 -22.252 1.173 1.00 34.43 H new ATOM 0 HB3 ASP A 19 22.082 -23.209 0.459 1.00 34.43 H new ATOM 337 N VAL A 20 22.005 -20.259 -2.130 1.00 23.44 N ATOM 338 CA VAL A 20 21.579 -20.094 -3.514 1.00 43.12 C ATOM 339 C VAL A 20 22.769 -19.817 -4.426 1.00 24.40 C ATOM 340 O VAL A 20 23.767 -19.233 -4.002 1.00 74.13 O ATOM 341 CB VAL A 20 20.561 -18.947 -3.655 1.00 3.41 C ATOM 342 CG1 VAL A 20 21.201 -17.617 -3.288 1.00 4.51 C ATOM 343 CG2 VAL A 20 19.998 -18.905 -5.067 1.00 42.15 C ATOM 0 H VAL A 20 22.862 -19.761 -1.890 1.00 23.44 H new ATOM 0 HA VAL A 20 21.105 -21.029 -3.813 1.00 43.12 H new ATOM 0 HB VAL A 20 19.737 -19.129 -2.965 1.00 3.41 H new ATOM 0 HG11 VAL A 20 20.467 -16.818 -3.394 1.00 4.51 H new ATOM 0 HG12 VAL A 20 21.551 -17.654 -2.256 1.00 4.51 H new ATOM 0 HG13 VAL A 20 22.045 -17.424 -3.951 1.00 4.51 H new ATOM 0 HG21 VAL A 20 19.280 -18.089 -5.148 1.00 42.15 H new ATOM 0 HG22 VAL A 20 20.809 -18.747 -5.778 1.00 42.15 H new ATOM 0 HG23 VAL A 20 19.500 -19.849 -5.288 1.00 42.15 H new ATOM 353 N SER A 21 22.657 -20.241 -5.681 1.00 5.01 N ATOM 354 CA SER A 21 23.726 -20.042 -6.653 1.00 70.00 C ATOM 355 C SER A 21 23.359 -18.944 -7.646 1.00 42.42 C ATOM 356 O SER A 21 22.191 -18.601 -7.828 1.00 52.34 O ATOM 357 CB SER A 21 24.014 -21.346 -7.400 1.00 54.33 C ATOM 358 OG SER A 21 24.924 -22.157 -6.678 1.00 73.23 O ATOM 0 H SER A 21 21.837 -20.724 -6.048 1.00 5.01 H new ATOM 0 HA SER A 21 24.622 -19.735 -6.114 1.00 70.00 H new ATOM 0 HB2 SER A 21 23.083 -21.891 -7.559 1.00 54.33 H new ATOM 0 HB3 SER A 21 24.424 -21.122 -8.385 1.00 54.33 H new ATOM 0 HG SER A 21 25.463 -21.594 -6.083 1.00 73.23 H new ATOM 364 N PRO A 22 24.381 -18.377 -8.305 1.00 62.40 N ATOM 365 CA PRO A 22 24.193 -17.310 -9.292 1.00 13.45 C ATOM 366 C PRO A 22 23.520 -17.810 -10.566 1.00 3.54 C ATOM 367 O PRO A 22 24.024 -18.714 -11.231 1.00 14.31 O ATOM 368 CB PRO A 22 25.621 -16.844 -9.588 1.00 35.13 C ATOM 369 CG PRO A 22 26.476 -18.024 -9.276 1.00 53.43 C ATOM 370 CD PRO A 22 25.800 -18.736 -8.138 1.00 35.40 C ATOM 0 HA PRO A 22 23.541 -16.520 -8.919 1.00 13.45 H new ATOM 0 HB2 PRO A 22 25.731 -16.540 -10.629 1.00 35.13 H new ATOM 0 HB3 PRO A 22 25.892 -15.985 -8.975 1.00 35.13 H new ATOM 0 HG2 PRO A 22 26.571 -18.677 -10.143 1.00 53.43 H new ATOM 0 HG3 PRO A 22 27.483 -17.714 -8.999 1.00 53.43 H new ATOM 0 HD2 PRO A 22 25.951 -19.814 -8.192 1.00 35.40 H new ATOM 0 HD3 PRO A 22 26.186 -18.408 -7.173 1.00 35.40 H new ATOM 378 N GLY A 23 22.379 -17.214 -10.900 1.00 64.22 N ATOM 379 CA GLY A 23 21.657 -17.613 -12.094 1.00 41.31 C ATOM 380 C GLY A 23 20.373 -18.352 -11.775 1.00 71.11 C ATOM 381 O GLY A 23 19.660 -18.789 -12.678 1.00 44.44 O ATOM 0 H GLY A 23 21.942 -16.463 -10.366 1.00 64.22 H new ATOM 0 HA2 GLY A 23 21.426 -16.729 -12.688 1.00 41.31 H new ATOM 0 HA3 GLY A 23 22.296 -18.249 -12.706 1.00 41.31 H new ATOM 385 N GLU A 24 20.078 -18.494 -10.487 1.00 31.23 N ATOM 386 CA GLU A 24 18.872 -19.189 -10.052 1.00 13.31 C ATOM 387 C GLU A 24 17.716 -18.209 -9.868 1.00 42.01 C ATOM 388 O GLU A 24 17.928 -17.014 -9.664 1.00 60.52 O ATOM 389 CB GLU A 24 19.132 -19.939 -8.744 1.00 13.21 C ATOM 390 CG GLU A 24 19.852 -21.263 -8.934 1.00 41.05 C ATOM 391 CD GLU A 24 18.986 -22.306 -9.613 1.00 35.22 C ATOM 392 OE1 GLU A 24 17.745 -22.191 -9.529 1.00 33.30 O ATOM 393 OE2 GLU A 24 19.547 -23.237 -10.227 1.00 5.02 O ATOM 0 H GLU A 24 20.657 -18.137 -9.727 1.00 31.23 H new ATOM 0 HA GLU A 24 18.598 -19.907 -10.825 1.00 13.31 H new ATOM 0 HB2 GLU A 24 19.723 -19.305 -8.083 1.00 13.21 H new ATOM 0 HB3 GLU A 24 18.181 -20.121 -8.244 1.00 13.21 H new ATOM 0 HG2 GLU A 24 20.752 -21.101 -9.528 1.00 41.05 H new ATOM 0 HG3 GLU A 24 20.174 -21.640 -7.963 1.00 41.05 H new ATOM 400 N ASN A 25 16.493 -18.725 -9.943 1.00 5.44 N ATOM 401 CA ASN A 25 15.304 -17.896 -9.786 1.00 13.12 C ATOM 402 C ASN A 25 14.720 -18.041 -8.384 1.00 24.34 C ATOM 403 O ASN A 25 14.540 -19.154 -7.887 1.00 14.13 O ATOM 404 CB ASN A 25 14.251 -18.275 -10.830 1.00 24.02 C ATOM 405 CG ASN A 25 14.783 -18.180 -12.247 1.00 72.41 C ATOM 406 OD1 ASN A 25 15.774 -18.823 -12.594 1.00 51.14 O ATOM 407 ND2 ASN A 25 14.124 -17.376 -13.073 1.00 42.02 N ATOM 0 H ASN A 25 16.300 -19.712 -10.111 1.00 5.44 H new ATOM 0 HA ASN A 25 15.595 -16.856 -9.933 1.00 13.12 H new ATOM 0 HB2 ASN A 25 13.906 -19.292 -10.642 1.00 24.02 H new ATOM 0 HB3 ASN A 25 13.386 -17.620 -10.725 1.00 24.02 H new ATOM 0 HD21 ASN A 25 14.434 -17.272 -14.039 1.00 42.02 H new ATOM 0 HD22 ASN A 25 13.307 -16.862 -12.741 1.00 42.02 H new ATOM 414 N LEU A 26 14.427 -16.911 -7.751 1.00 4.24 N ATOM 415 CA LEU A 26 13.863 -16.911 -6.405 1.00 65.22 C ATOM 416 C LEU A 26 12.639 -16.004 -6.328 1.00 25.35 C ATOM 417 O LEU A 26 12.573 -14.976 -7.000 1.00 51.34 O ATOM 418 CB LEU A 26 14.914 -16.457 -5.390 1.00 41.04 C ATOM 419 CG LEU A 26 16.167 -17.328 -5.286 1.00 12.41 C ATOM 420 CD1 LEU A 26 17.284 -16.761 -6.148 1.00 70.14 C ATOM 421 CD2 LEU A 26 16.616 -17.444 -3.837 1.00 1.13 C ATOM 0 H LEU A 26 14.570 -15.982 -8.148 1.00 4.24 H new ATOM 0 HA LEU A 26 13.554 -17.929 -6.167 1.00 65.22 H new ATOM 0 HB2 LEU A 26 15.221 -15.443 -5.644 1.00 41.04 H new ATOM 0 HB3 LEU A 26 14.445 -16.411 -4.407 1.00 41.04 H new ATOM 0 HG LEU A 26 15.925 -18.326 -5.652 1.00 12.41 H new ATOM 0 HD11 LEU A 26 18.167 -17.394 -6.061 1.00 70.14 H new ATOM 0 HD12 LEU A 26 16.961 -16.730 -7.188 1.00 70.14 H new ATOM 0 HD13 LEU A 26 17.526 -15.752 -5.813 1.00 70.14 H new ATOM 0 HD21 LEU A 26 17.509 -18.067 -3.781 1.00 1.13 H new ATOM 0 HD22 LEU A 26 16.841 -16.452 -3.445 1.00 1.13 H new ATOM 0 HD23 LEU A 26 15.821 -17.896 -3.245 1.00 1.13 H new ATOM 433 N SER A 27 11.674 -16.392 -5.501 1.00 13.14 N ATOM 434 CA SER A 27 10.451 -15.615 -5.336 1.00 11.22 C ATOM 435 C SER A 27 10.501 -14.788 -4.055 1.00 4.32 C ATOM 436 O SER A 27 10.552 -15.334 -2.952 1.00 53.22 O ATOM 437 CB SER A 27 9.233 -16.540 -5.311 1.00 72.12 C ATOM 438 OG SER A 27 8.188 -16.029 -6.121 1.00 60.51 O ATOM 0 H SER A 27 11.715 -17.239 -4.935 1.00 13.14 H new ATOM 0 HA SER A 27 10.365 -14.935 -6.184 1.00 11.22 H new ATOM 0 HB2 SER A 27 9.518 -17.532 -5.663 1.00 72.12 H new ATOM 0 HB3 SER A 27 8.880 -16.654 -4.286 1.00 72.12 H new ATOM 0 HG SER A 27 8.532 -15.841 -7.019 1.00 60.51 H new ATOM 444 N ILE A 28 10.488 -13.468 -4.209 1.00 74.12 N ATOM 445 CA ILE A 28 10.531 -12.565 -3.066 1.00 32.23 C ATOM 446 C ILE A 28 9.151 -12.410 -2.436 1.00 12.42 C ATOM 447 O ILE A 28 8.131 -12.515 -3.118 1.00 15.44 O ATOM 448 CB ILE A 28 11.060 -11.175 -3.466 1.00 31.24 C ATOM 449 CG1 ILE A 28 12.375 -11.308 -4.237 1.00 33.44 C ATOM 450 CG2 ILE A 28 11.249 -10.305 -2.232 1.00 32.32 C ATOM 451 CD1 ILE A 28 12.884 -9.998 -4.794 1.00 53.51 C ATOM 0 H ILE A 28 10.448 -13.000 -5.115 1.00 74.12 H new ATOM 0 HA ILE A 28 11.212 -13.008 -2.339 1.00 32.23 H new ATOM 0 HB ILE A 28 10.327 -10.697 -4.115 1.00 31.24 H new ATOM 0 HG12 ILE A 28 13.132 -11.732 -3.577 1.00 33.44 H new ATOM 0 HG13 ILE A 28 12.236 -12.013 -5.057 1.00 33.44 H new ATOM 0 HG21 ILE A 28 11.623 -9.326 -2.531 1.00 32.32 H new ATOM 0 HG22 ILE A 28 10.294 -10.188 -1.720 1.00 32.32 H new ATOM 0 HG23 ILE A 28 11.965 -10.778 -1.560 1.00 32.32 H new ATOM 0 HD11 ILE A 28 13.819 -10.168 -5.328 1.00 53.51 H new ATOM 0 HD12 ILE A 28 12.145 -9.583 -5.479 1.00 53.51 H new ATOM 0 HD13 ILE A 28 13.055 -9.297 -3.977 1.00 53.51 H new ATOM 463 N CYS A 29 9.127 -12.157 -1.132 1.00 30.21 N ATOM 464 CA CYS A 29 7.872 -11.986 -0.409 1.00 53.41 C ATOM 465 C CYS A 29 7.838 -10.641 0.310 1.00 55.24 C ATOM 466 O CYS A 29 6.816 -9.955 0.315 1.00 0.43 O ATOM 467 CB CYS A 29 7.680 -13.121 0.598 1.00 55.43 C ATOM 468 SG CYS A 29 7.943 -14.771 -0.092 1.00 33.33 S ATOM 0 H CYS A 29 9.962 -12.066 -0.554 1.00 30.21 H new ATOM 0 HA CYS A 29 7.058 -12.011 -1.133 1.00 53.41 H new ATOM 0 HB2 CYS A 29 8.367 -12.973 1.431 1.00 55.43 H new ATOM 0 HB3 CYS A 29 6.670 -13.065 1.004 1.00 55.43 H new ATOM 0 HG CYS A 29 7.760 -15.663 0.835 1.00 33.33 H new ATOM 474 N ALA A 30 8.961 -10.271 0.916 1.00 32.32 N ATOM 475 CA ALA A 30 9.060 -9.009 1.638 1.00 54.32 C ATOM 476 C ALA A 30 10.503 -8.521 1.696 1.00 42.03 C ATOM 477 O ALA A 30 11.406 -9.155 1.148 1.00 12.00 O ATOM 478 CB ALA A 30 8.494 -9.158 3.042 1.00 1.14 C ATOM 0 H ALA A 30 9.816 -10.828 0.921 1.00 32.32 H new ATOM 0 HA ALA A 30 8.474 -8.264 1.099 1.00 54.32 H new ATOM 0 HB1 ALA A 30 8.575 -8.208 3.570 1.00 1.14 H new ATOM 0 HB2 ALA A 30 7.446 -9.452 2.983 1.00 1.14 H new ATOM 0 HB3 ALA A 30 9.055 -9.921 3.581 1.00 1.14 H new ATOM 484 N HIS A 31 10.715 -7.390 2.362 1.00 32.40 N ATOM 485 CA HIS A 31 12.050 -6.817 2.491 1.00 20.52 C ATOM 486 C HIS A 31 12.315 -6.375 3.927 1.00 32.11 C ATOM 487 O HIS A 31 11.430 -6.440 4.781 1.00 73.45 O ATOM 488 CB HIS A 31 12.213 -5.630 1.541 1.00 33.53 C ATOM 489 CG HIS A 31 11.474 -4.404 1.983 1.00 65.41 C ATOM 490 ND1 HIS A 31 12.074 -3.169 2.109 1.00 63.24 N ATOM 491 CD2 HIS A 31 10.177 -4.228 2.328 1.00 45.05 C ATOM 492 CE1 HIS A 31 11.179 -2.286 2.513 1.00 34.41 C ATOM 493 NE2 HIS A 31 10.019 -2.903 2.653 1.00 22.30 N ATOM 0 H HIS A 31 9.979 -6.852 2.821 1.00 32.40 H new ATOM 0 HA HIS A 31 12.776 -7.586 2.226 1.00 20.52 H new ATOM 0 HB2 HIS A 31 13.273 -5.392 1.448 1.00 33.53 H new ATOM 0 HB3 HIS A 31 11.863 -5.918 0.550 1.00 33.53 H new ATOM 0 HD2 HIS A 31 9.410 -4.988 2.345 1.00 45.05 H new ATOM 0 HE1 HIS A 31 11.364 -1.238 2.698 1.00 34.41 H new ATOM 0 HE2 HIS A 31 9.148 -2.466 2.954 1.00 22.30 H new ATOM 501 N TYR A 32 13.538 -5.926 4.187 1.00 72.15 N ATOM 502 CA TYR A 32 13.920 -5.476 5.520 1.00 71.22 C ATOM 503 C TYR A 32 14.746 -4.195 5.447 1.00 73.54 C ATOM 504 O TYR A 32 15.945 -4.232 5.170 1.00 53.45 O ATOM 505 CB TYR A 32 14.713 -6.567 6.241 1.00 20.12 C ATOM 506 CG TYR A 32 14.834 -6.343 7.732 1.00 54.24 C ATOM 507 CD1 TYR A 32 13.739 -6.513 8.570 1.00 31.33 C ATOM 508 CD2 TYR A 32 16.042 -5.960 8.301 1.00 15.41 C ATOM 509 CE1 TYR A 32 13.844 -6.309 9.933 1.00 50.25 C ATOM 510 CE2 TYR A 32 16.156 -5.754 9.662 1.00 22.43 C ATOM 511 CZ TYR A 32 15.055 -5.930 10.474 1.00 72.02 C ATOM 512 OH TYR A 32 15.165 -5.725 11.830 1.00 34.21 O ATOM 0 H TYR A 32 14.282 -5.864 3.492 1.00 72.15 H new ATOM 0 HA TYR A 32 13.009 -5.267 6.081 1.00 71.22 H new ATOM 0 HB2 TYR A 32 14.233 -7.530 6.064 1.00 20.12 H new ATOM 0 HB3 TYR A 32 15.712 -6.624 5.808 1.00 20.12 H new ATOM 0 HD1 TYR A 32 12.790 -6.810 8.149 1.00 31.33 H new ATOM 0 HD2 TYR A 32 16.906 -5.821 7.669 1.00 15.41 H new ATOM 0 HE1 TYR A 32 12.983 -6.446 10.571 1.00 50.25 H new ATOM 0 HE2 TYR A 32 17.103 -5.457 10.088 1.00 22.43 H new ATOM 0 HH TYR A 32 16.084 -5.464 12.048 1.00 34.21 H new ATOM 522 N ASP A 33 14.095 -3.065 5.698 1.00 41.12 N ATOM 523 CA ASP A 33 14.768 -1.772 5.663 1.00 52.53 C ATOM 524 C ASP A 33 15.452 -1.551 4.317 1.00 74.00 C ATOM 525 O ASP A 33 16.424 -0.802 4.219 1.00 62.43 O ATOM 526 CB ASP A 33 15.795 -1.676 6.792 1.00 14.12 C ATOM 527 CG ASP A 33 15.179 -1.207 8.096 1.00 42.42 C ATOM 528 OD1 ASP A 33 14.566 -2.039 8.796 1.00 32.14 O ATOM 529 OD2 ASP A 33 15.312 -0.007 8.416 1.00 72.00 O ATOM 0 H ASP A 33 13.102 -3.018 5.928 1.00 41.12 H new ATOM 0 HA ASP A 33 14.015 -0.996 5.800 1.00 52.53 H new ATOM 0 HB2 ASP A 33 16.258 -2.651 6.942 1.00 14.12 H new ATOM 0 HB3 ASP A 33 16.588 -0.988 6.500 1.00 14.12 H new ATOM 534 N TYR A 34 14.938 -2.208 3.283 1.00 34.34 N ATOM 535 CA TYR A 34 15.501 -2.087 1.944 1.00 53.00 C ATOM 536 C TYR A 34 16.928 -2.625 1.902 1.00 33.21 C ATOM 537 O TYR A 34 17.678 -2.351 0.967 1.00 43.25 O ATOM 538 CB TYR A 34 15.481 -0.626 1.490 1.00 22.41 C ATOM 539 CG TYR A 34 14.136 0.043 1.660 1.00 20.35 C ATOM 540 CD1 TYR A 34 13.793 0.663 2.856 1.00 44.13 C ATOM 541 CD2 TYR A 34 13.207 0.054 0.627 1.00 25.31 C ATOM 542 CE1 TYR A 34 12.565 1.275 3.016 1.00 3.13 C ATOM 543 CE2 TYR A 34 11.978 0.665 0.778 1.00 32.53 C ATOM 544 CZ TYR A 34 11.661 1.274 1.975 1.00 62.44 C ATOM 545 OH TYR A 34 10.437 1.882 2.130 1.00 73.13 O ATOM 0 H TYR A 34 14.132 -2.830 3.347 1.00 34.34 H new ATOM 0 HA TYR A 34 14.889 -2.680 1.265 1.00 53.00 H new ATOM 0 HB2 TYR A 34 16.228 -0.069 2.055 1.00 22.41 H new ATOM 0 HB3 TYR A 34 15.772 -0.576 0.441 1.00 22.41 H new ATOM 0 HD1 TYR A 34 14.498 0.666 3.674 1.00 44.13 H new ATOM 0 HD2 TYR A 34 13.450 -0.424 -0.311 1.00 25.31 H new ATOM 0 HE1 TYR A 34 12.314 1.752 3.952 1.00 3.13 H new ATOM 0 HE2 TYR A 34 11.269 0.666 -0.036 1.00 32.53 H new ATOM 0 HH TYR A 34 9.920 1.792 1.302 1.00 73.13 H new ATOM 555 N GLU A 35 17.294 -3.394 2.923 1.00 15.22 N ATOM 556 CA GLU A 35 18.630 -3.971 3.004 1.00 42.14 C ATOM 557 C GLU A 35 18.604 -5.455 2.650 1.00 22.10 C ATOM 558 O GLU A 35 19.330 -5.905 1.763 1.00 34.41 O ATOM 559 CB GLU A 35 19.209 -3.780 4.407 1.00 11.21 C ATOM 560 CG GLU A 35 18.831 -2.454 5.046 1.00 34.11 C ATOM 561 CD GLU A 35 19.295 -1.261 4.233 1.00 21.23 C ATOM 562 OE1 GLU A 35 20.049 -1.464 3.259 1.00 54.25 O ATOM 563 OE2 GLU A 35 18.904 -0.125 4.573 1.00 42.43 O ATOM 0 H GLU A 35 16.684 -3.631 3.705 1.00 15.22 H new ATOM 0 HA GLU A 35 19.265 -3.454 2.284 1.00 42.14 H new ATOM 0 HB2 GLU A 35 18.865 -4.593 5.047 1.00 11.21 H new ATOM 0 HB3 GLU A 35 20.295 -3.852 4.356 1.00 11.21 H new ATOM 0 HG2 GLU A 35 17.749 -2.408 5.166 1.00 34.11 H new ATOM 0 HG3 GLU A 35 19.265 -2.399 6.044 1.00 34.11 H new ATOM 570 N TRP A 36 17.765 -6.209 3.350 1.00 35.01 N ATOM 571 CA TRP A 36 17.644 -7.643 3.111 1.00 0.20 C ATOM 572 C TRP A 36 16.349 -7.965 2.374 1.00 51.22 C ATOM 573 O TRP A 36 15.357 -7.247 2.499 1.00 12.43 O ATOM 574 CB TRP A 36 17.696 -8.407 4.435 1.00 74.53 C ATOM 575 CG TRP A 36 18.891 -8.066 5.272 1.00 52.30 C ATOM 576 CD1 TRP A 36 19.062 -6.949 6.039 1.00 12.12 C ATOM 577 CD2 TRP A 36 20.082 -8.846 5.424 1.00 13.23 C ATOM 578 NE1 TRP A 36 20.287 -6.988 6.659 1.00 4.33 N ATOM 579 CE2 TRP A 36 20.932 -8.141 6.299 1.00 31.42 C ATOM 580 CE3 TRP A 36 20.512 -10.071 4.909 1.00 73.33 C ATOM 581 CZ2 TRP A 36 22.186 -8.623 6.667 1.00 75.14 C ATOM 582 CZ3 TRP A 36 21.756 -10.548 5.274 1.00 3.21 C ATOM 583 CH2 TRP A 36 22.581 -9.825 6.147 1.00 62.53 C ATOM 0 H TRP A 36 17.158 -5.852 4.088 1.00 35.01 H new ATOM 0 HA TRP A 36 18.482 -7.954 2.487 1.00 0.20 H new ATOM 0 HB2 TRP A 36 16.791 -8.195 5.004 1.00 74.53 H new ATOM 0 HB3 TRP A 36 17.700 -9.477 4.229 1.00 74.53 H new ATOM 0 HD1 TRP A 36 18.340 -6.152 6.143 1.00 12.12 H new ATOM 0 HE1 TRP A 36 20.657 -6.274 7.286 1.00 4.33 H new ATOM 0 HE3 TRP A 36 19.883 -10.636 4.237 1.00 73.33 H new ATOM 0 HZ2 TRP A 36 22.824 -8.068 7.339 1.00 75.14 H new ATOM 0 HZ3 TRP A 36 22.099 -11.494 4.880 1.00 3.21 H new ATOM 0 HH2 TRP A 36 23.548 -10.225 6.414 1.00 62.53 H new ATOM 594 N PHE A 37 16.364 -9.049 1.605 1.00 44.41 N ATOM 595 CA PHE A 37 15.190 -9.465 0.847 1.00 44.13 C ATOM 596 C PHE A 37 14.810 -10.904 1.180 1.00 31.44 C ATOM 597 O PHE A 37 15.670 -11.782 1.263 1.00 40.32 O ATOM 598 CB PHE A 37 15.452 -9.330 -0.655 1.00 4.33 C ATOM 599 CG PHE A 37 14.816 -8.115 -1.267 1.00 45.51 C ATOM 600 CD1 PHE A 37 13.464 -7.865 -1.099 1.00 0.11 C ATOM 601 CD2 PHE A 37 15.571 -7.222 -2.011 1.00 62.24 C ATOM 602 CE1 PHE A 37 12.876 -6.747 -1.661 1.00 33.42 C ATOM 603 CE2 PHE A 37 14.989 -6.103 -2.575 1.00 55.13 C ATOM 604 CZ PHE A 37 13.639 -5.866 -2.401 1.00 10.12 C ATOM 0 H PHE A 37 17.176 -9.655 1.490 1.00 44.41 H new ATOM 0 HA PHE A 37 14.360 -8.815 1.124 1.00 44.13 H new ATOM 0 HB2 PHE A 37 16.528 -9.292 -0.826 1.00 4.33 H new ATOM 0 HB3 PHE A 37 15.079 -10.220 -1.162 1.00 4.33 H new ATOM 0 HD1 PHE A 37 12.862 -8.552 -0.522 1.00 0.11 H new ATOM 0 HD2 PHE A 37 16.626 -7.403 -2.151 1.00 62.24 H new ATOM 0 HE1 PHE A 37 11.821 -6.563 -1.521 1.00 33.42 H new ATOM 0 HE2 PHE A 37 15.589 -5.414 -3.151 1.00 55.13 H new ATOM 0 HZ PHE A 37 13.182 -4.993 -2.843 1.00 10.12 H new ATOM 614 N ILE A 38 13.516 -11.139 1.372 1.00 41.23 N ATOM 615 CA ILE A 38 13.021 -12.471 1.696 1.00 43.01 C ATOM 616 C ILE A 38 12.607 -13.225 0.437 1.00 55.32 C ATOM 617 O ILE A 38 11.489 -13.067 -0.054 1.00 0.43 O ATOM 618 CB ILE A 38 11.823 -12.407 2.661 1.00 55.03 C ATOM 619 CG1 ILE A 38 12.134 -11.476 3.835 1.00 71.44 C ATOM 620 CG2 ILE A 38 11.470 -13.800 3.161 1.00 43.11 C ATOM 621 CD1 ILE A 38 13.318 -11.924 4.663 1.00 42.44 C ATOM 0 H ILE A 38 12.792 -10.424 1.309 1.00 41.23 H new ATOM 0 HA ILE A 38 13.839 -13.002 2.182 1.00 43.01 H new ATOM 0 HB ILE A 38 10.964 -12.007 2.123 1.00 55.03 H new ATOM 0 HG12 ILE A 38 12.327 -10.474 3.452 1.00 71.44 H new ATOM 0 HG13 ILE A 38 11.256 -11.409 4.477 1.00 71.44 H new ATOM 0 HG21 ILE A 38 10.621 -13.738 3.842 1.00 43.11 H new ATOM 0 HG22 ILE A 38 11.210 -14.435 2.314 1.00 43.11 H new ATOM 0 HG23 ILE A 38 12.325 -14.226 3.685 1.00 43.11 H new ATOM 0 HD11 ILE A 38 13.481 -11.218 5.477 1.00 42.44 H new ATOM 0 HD12 ILE A 38 13.120 -12.914 5.075 1.00 42.44 H new ATOM 0 HD13 ILE A 38 14.207 -11.964 4.034 1.00 42.44 H new ATOM 633 N ALA A 39 13.514 -14.046 -0.080 1.00 62.24 N ATOM 634 CA ALA A 39 13.242 -14.828 -1.280 1.00 55.11 C ATOM 635 C ALA A 39 13.207 -16.320 -0.967 1.00 12.11 C ATOM 636 O ALA A 39 13.829 -16.779 -0.008 1.00 54.44 O ATOM 637 CB ALA A 39 14.284 -14.535 -2.349 1.00 71.10 C ATOM 0 H ALA A 39 14.444 -14.187 0.313 1.00 62.24 H new ATOM 0 HA ALA A 39 12.261 -14.540 -1.657 1.00 55.11 H new ATOM 0 HB1 ALA A 39 14.068 -15.126 -3.239 1.00 71.10 H new ATOM 0 HB2 ALA A 39 14.258 -13.475 -2.602 1.00 71.10 H new ATOM 0 HB3 ALA A 39 15.274 -14.794 -1.973 1.00 71.10 H new ATOM 643 N LYS A 40 12.475 -17.074 -1.781 1.00 3.42 N ATOM 644 CA LYS A 40 12.359 -18.515 -1.592 1.00 2.32 C ATOM 645 C LYS A 40 12.717 -19.262 -2.873 1.00 30.05 C ATOM 646 O LYS A 40 12.654 -18.718 -3.975 1.00 64.12 O ATOM 647 CB LYS A 40 10.938 -18.880 -1.156 1.00 4.23 C ATOM 648 CG LYS A 40 9.858 -18.121 -1.906 1.00 51.51 C ATOM 649 CD LYS A 40 8.570 -18.922 -1.992 1.00 20.43 C ATOM 650 CE LYS A 40 8.553 -19.820 -3.220 1.00 12.24 C ATOM 651 NZ LYS A 40 7.265 -20.556 -3.350 1.00 62.42 N ATOM 0 H LYS A 40 11.953 -16.710 -2.578 1.00 3.42 H new ATOM 0 HA LYS A 40 13.059 -18.812 -0.811 1.00 2.32 H new ATOM 0 HB2 LYS A 40 10.786 -19.950 -1.301 1.00 4.23 H new ATOM 0 HB3 LYS A 40 10.833 -18.685 -0.089 1.00 4.23 H new ATOM 0 HG2 LYS A 40 9.665 -17.172 -1.405 1.00 51.51 H new ATOM 0 HG3 LYS A 40 10.209 -17.886 -2.911 1.00 51.51 H new ATOM 0 HD2 LYS A 40 8.457 -19.530 -1.094 1.00 20.43 H new ATOM 0 HD3 LYS A 40 7.719 -18.242 -2.025 1.00 20.43 H new ATOM 0 HE2 LYS A 40 8.719 -19.217 -4.113 1.00 12.24 H new ATOM 0 HE3 LYS A 40 9.375 -20.534 -3.160 1.00 12.24 H new ATOM 0 HZ1 LYS A 40 7.293 -21.157 -4.198 1.00 62.42 H new ATOM 0 HZ2 LYS A 40 7.119 -21.151 -2.509 1.00 62.42 H new ATOM 0 HZ3 LYS A 40 6.483 -19.875 -3.433 1.00 62.42 H new ATOM 665 N PRO A 41 13.100 -20.539 -2.726 1.00 70.11 N ATOM 666 CA PRO A 41 13.473 -21.389 -3.861 1.00 41.30 C ATOM 667 C PRO A 41 12.277 -21.745 -4.736 1.00 75.33 C ATOM 668 O PRO A 41 11.237 -22.177 -4.237 1.00 1.13 O ATOM 669 CB PRO A 41 14.040 -22.644 -3.193 1.00 41.11 C ATOM 670 CG PRO A 41 13.391 -22.686 -1.853 1.00 4.33 C ATOM 671 CD PRO A 41 13.198 -21.252 -1.442 1.00 33.35 C ATOM 0 HA PRO A 41 14.175 -20.891 -4.530 1.00 41.30 H new ATOM 0 HB2 PRO A 41 13.811 -23.539 -3.772 1.00 41.11 H new ATOM 0 HB3 PRO A 41 15.125 -22.590 -3.106 1.00 41.11 H new ATOM 0 HG2 PRO A 41 12.437 -23.211 -1.898 1.00 4.33 H new ATOM 0 HG3 PRO A 41 14.014 -23.218 -1.134 1.00 4.33 H new ATOM 0 HD2 PRO A 41 12.297 -21.124 -0.842 1.00 33.35 H new ATOM 0 HD3 PRO A 41 14.034 -20.889 -0.844 1.00 33.35 H new ATOM 679 N ILE A 42 12.430 -21.563 -6.043 1.00 42.24 N ATOM 680 CA ILE A 42 11.362 -21.867 -6.987 1.00 62.25 C ATOM 681 C ILE A 42 11.572 -23.233 -7.633 1.00 51.32 C ATOM 682 O ILE A 42 10.618 -23.976 -7.861 1.00 4.14 O ATOM 683 CB ILE A 42 11.266 -20.799 -8.092 1.00 50.34 C ATOM 684 CG1 ILE A 42 11.015 -19.420 -7.478 1.00 44.12 C ATOM 685 CG2 ILE A 42 10.163 -21.154 -9.078 1.00 50.11 C ATOM 686 CD1 ILE A 42 11.186 -18.281 -8.459 1.00 62.34 C ATOM 0 H ILE A 42 13.284 -21.206 -6.473 1.00 42.24 H new ATOM 0 HA ILE A 42 10.432 -21.875 -6.419 1.00 62.25 H new ATOM 0 HB ILE A 42 12.213 -20.769 -8.631 1.00 50.34 H new ATOM 0 HG12 ILE A 42 10.004 -19.391 -7.072 1.00 44.12 H new ATOM 0 HG13 ILE A 42 11.698 -19.274 -6.641 1.00 44.12 H new ATOM 0 HG21 ILE A 42 10.108 -20.389 -9.853 1.00 50.11 H new ATOM 0 HG22 ILE A 42 10.381 -22.119 -9.535 1.00 50.11 H new ATOM 0 HG23 ILE A 42 9.209 -21.208 -8.553 1.00 50.11 H new ATOM 0 HD11 ILE A 42 10.993 -17.334 -7.955 1.00 62.34 H new ATOM 0 HD12 ILE A 42 12.205 -18.284 -8.846 1.00 62.34 H new ATOM 0 HD13 ILE A 42 10.484 -18.403 -9.284 1.00 62.34 H new ATOM 769 N PRO A 47 11.536 -20.735 2.498 1.00 51.24 N ATOM 770 CA PRO A 47 11.918 -19.320 2.463 1.00 23.11 C ATOM 771 C PRO A 47 12.934 -18.968 3.544 1.00 4.31 C ATOM 772 O PRO A 47 12.702 -19.204 4.729 1.00 61.22 O ATOM 773 CB PRO A 47 10.597 -18.589 2.713 1.00 73.23 C ATOM 774 CG PRO A 47 9.760 -19.566 3.464 1.00 12.04 C ATOM 775 CD PRO A 47 10.148 -20.925 2.951 1.00 31.13 C ATOM 0 HA PRO A 47 12.398 -19.051 1.522 1.00 23.11 H new ATOM 0 HB2 PRO A 47 10.752 -17.676 3.288 1.00 73.23 H new ATOM 0 HB3 PRO A 47 10.122 -18.298 1.776 1.00 73.23 H new ATOM 0 HG2 PRO A 47 9.938 -19.489 4.537 1.00 12.04 H new ATOM 0 HG3 PRO A 47 8.699 -19.376 3.302 1.00 12.04 H new ATOM 0 HD2 PRO A 47 10.080 -21.683 3.731 1.00 31.13 H new ATOM 0 HD3 PRO A 47 9.500 -21.247 2.136 1.00 31.13 H new ATOM 783 N GLY A 48 14.062 -18.400 3.127 1.00 2.25 N ATOM 784 CA GLY A 48 15.097 -18.024 4.073 1.00 13.32 C ATOM 785 C GLY A 48 15.331 -16.527 4.111 1.00 13.55 C ATOM 786 O GLY A 48 14.409 -15.753 4.376 1.00 23.13 O ATOM 0 H GLY A 48 14.277 -18.194 2.152 1.00 2.25 H new ATOM 0 HA2 GLY A 48 14.819 -18.371 5.068 1.00 13.32 H new ATOM 0 HA3 GLY A 48 16.027 -18.527 3.809 1.00 13.32 H new ATOM 790 N LEU A 49 16.566 -16.116 3.848 1.00 2.43 N ATOM 791 CA LEU A 49 16.920 -14.700 3.855 1.00 34.33 C ATOM 792 C LEU A 49 18.113 -14.432 2.943 1.00 35.42 C ATOM 793 O LEU A 49 19.170 -15.044 3.091 1.00 24.41 O ATOM 794 CB LEU A 49 17.238 -14.241 5.279 1.00 25.01 C ATOM 795 CG LEU A 49 16.649 -12.894 5.698 1.00 41.44 C ATOM 796 CD1 LEU A 49 16.258 -12.915 7.167 1.00 33.40 C ATOM 797 CD2 LEU A 49 17.639 -11.770 5.424 1.00 32.51 C ATOM 0 H LEU A 49 17.340 -16.743 3.627 1.00 2.43 H new ATOM 0 HA LEU A 49 16.066 -14.135 3.480 1.00 34.33 H new ATOM 0 HB2 LEU A 49 16.881 -15.002 5.973 1.00 25.01 H new ATOM 0 HB3 LEU A 49 18.321 -14.191 5.390 1.00 25.01 H new ATOM 0 HG LEU A 49 15.751 -12.713 5.107 1.00 41.44 H new ATOM 0 HD11 LEU A 49 15.841 -11.948 7.446 1.00 33.40 H new ATOM 0 HD12 LEU A 49 15.513 -13.693 7.334 1.00 33.40 H new ATOM 0 HD13 LEU A 49 17.139 -13.119 7.775 1.00 33.40 H new ATOM 0 HD21 LEU A 49 17.203 -10.819 5.728 1.00 32.51 H new ATOM 0 HD22 LEU A 49 18.555 -11.946 5.988 1.00 32.51 H new ATOM 0 HD23 LEU A 49 17.869 -11.739 4.359 1.00 32.51 H new ATOM 809 N VAL A 50 17.935 -13.512 2.001 1.00 44.23 N ATOM 810 CA VAL A 50 18.998 -13.160 1.067 1.00 50.15 C ATOM 811 C VAL A 50 19.114 -11.648 0.910 1.00 11.25 C ATOM 812 O VAL A 50 18.124 -10.940 0.724 1.00 72.20 O ATOM 813 CB VAL A 50 18.760 -13.791 -0.318 1.00 72.11 C ATOM 814 CG1 VAL A 50 17.445 -13.304 -0.908 1.00 44.34 C ATOM 815 CG2 VAL A 50 19.920 -13.481 -1.251 1.00 44.23 C ATOM 0 H VAL A 50 17.065 -12.997 1.864 1.00 44.23 H new ATOM 0 HA VAL A 50 19.926 -13.552 1.483 1.00 50.15 H new ATOM 0 HB VAL A 50 18.699 -14.873 -0.199 1.00 72.11 H new ATOM 0 HG11 VAL A 50 17.294 -13.760 -1.886 1.00 44.34 H new ATOM 0 HG12 VAL A 50 16.624 -13.583 -0.247 1.00 44.34 H new ATOM 0 HG13 VAL A 50 17.473 -12.220 -1.014 1.00 44.34 H new ATOM 0 HG21 VAL A 50 19.735 -13.935 -2.225 1.00 44.23 H new ATOM 0 HG22 VAL A 50 20.016 -12.401 -1.366 1.00 44.23 H new ATOM 0 HG23 VAL A 50 20.842 -13.885 -0.832 1.00 44.23 H new ATOM 825 N PRO A 51 20.352 -11.138 0.988 1.00 63.34 N ATOM 826 CA PRO A 51 20.628 -9.704 0.856 1.00 30.55 C ATOM 827 C PRO A 51 20.403 -9.198 -0.564 1.00 74.42 C ATOM 828 O PRO A 51 20.562 -9.943 -1.532 1.00 11.22 O ATOM 829 CB PRO A 51 22.107 -9.591 1.236 1.00 35.41 C ATOM 830 CG PRO A 51 22.678 -10.934 0.936 1.00 4.11 C ATOM 831 CD PRO A 51 21.579 -11.923 1.208 1.00 12.33 C ATOM 0 HA PRO A 51 19.966 -9.103 1.479 1.00 30.55 H new ATOM 0 HB2 PRO A 51 22.605 -8.811 0.660 1.00 35.41 H new ATOM 0 HB3 PRO A 51 22.227 -9.336 2.289 1.00 35.41 H new ATOM 0 HG2 PRO A 51 23.009 -10.994 -0.101 1.00 4.11 H new ATOM 0 HG3 PRO A 51 23.548 -11.136 1.561 1.00 4.11 H new ATOM 0 HD2 PRO A 51 21.634 -12.780 0.536 1.00 12.33 H new ATOM 0 HD3 PRO A 51 21.631 -12.312 2.225 1.00 12.33 H new ATOM 839 N VAL A 52 20.031 -7.928 -0.683 1.00 3.40 N ATOM 840 CA VAL A 52 19.786 -7.321 -1.986 1.00 75.51 C ATOM 841 C VAL A 52 21.022 -7.408 -2.874 1.00 75.23 C ATOM 842 O VAL A 52 20.924 -7.346 -4.100 1.00 15.42 O ATOM 843 CB VAL A 52 19.368 -5.845 -1.849 1.00 21.33 C ATOM 844 CG1 VAL A 52 19.065 -5.247 -3.214 1.00 3.42 C ATOM 845 CG2 VAL A 52 18.168 -5.715 -0.922 1.00 64.34 C ATOM 0 H VAL A 52 19.892 -7.299 0.108 1.00 3.40 H new ATOM 0 HA VAL A 52 18.971 -7.880 -2.447 1.00 75.51 H new ATOM 0 HB VAL A 52 20.198 -5.289 -1.412 1.00 21.33 H new ATOM 0 HG11 VAL A 52 18.771 -4.204 -3.097 1.00 3.42 H new ATOM 0 HG12 VAL A 52 19.954 -5.306 -3.842 1.00 3.42 H new ATOM 0 HG13 VAL A 52 18.252 -5.802 -3.682 1.00 3.42 H new ATOM 0 HG21 VAL A 52 17.886 -4.666 -0.837 1.00 64.34 H new ATOM 0 HG22 VAL A 52 17.331 -6.284 -1.328 1.00 64.34 H new ATOM 0 HG23 VAL A 52 18.426 -6.103 0.064 1.00 64.34 H new ATOM 855 N SER A 53 22.185 -7.553 -2.248 1.00 32.22 N ATOM 856 CA SER A 53 23.442 -7.645 -2.981 1.00 73.43 C ATOM 857 C SER A 53 23.623 -9.039 -3.575 1.00 23.00 C ATOM 858 O SER A 53 24.590 -9.300 -4.291 1.00 42.23 O ATOM 859 CB SER A 53 24.619 -7.313 -2.062 1.00 74.00 C ATOM 860 OG SER A 53 24.494 -6.007 -1.526 1.00 43.04 O ATOM 0 H SER A 53 22.283 -7.609 -1.234 1.00 32.22 H new ATOM 0 HA SER A 53 23.412 -6.922 -3.796 1.00 73.43 H new ATOM 0 HB2 SER A 53 24.667 -8.039 -1.251 1.00 74.00 H new ATOM 0 HB3 SER A 53 25.553 -7.394 -2.618 1.00 74.00 H new ATOM 0 HG SER A 53 25.037 -5.934 -0.713 1.00 43.04 H new ATOM 866 N TYR A 54 22.687 -9.931 -3.272 1.00 14.32 N ATOM 867 CA TYR A 54 22.743 -11.299 -3.773 1.00 2.14 C ATOM 868 C TYR A 54 21.487 -11.640 -4.568 1.00 33.43 C ATOM 869 O TYR A 54 21.174 -12.811 -4.784 1.00 72.22 O ATOM 870 CB TYR A 54 22.909 -12.282 -2.613 1.00 23.32 C ATOM 871 CG TYR A 54 24.349 -12.505 -2.210 1.00 23.45 C ATOM 872 CD1 TYR A 54 25.067 -11.517 -1.547 1.00 14.02 C ATOM 873 CD2 TYR A 54 24.993 -13.704 -2.492 1.00 10.20 C ATOM 874 CE1 TYR A 54 26.383 -11.716 -1.177 1.00 12.11 C ATOM 875 CE2 TYR A 54 26.308 -13.912 -2.125 1.00 22.14 C ATOM 876 CZ TYR A 54 26.999 -12.915 -1.468 1.00 31.24 C ATOM 877 OH TYR A 54 28.310 -13.118 -1.101 1.00 73.23 O ATOM 0 H TYR A 54 21.880 -9.731 -2.681 1.00 14.32 H new ATOM 0 HA TYR A 54 23.604 -11.381 -4.437 1.00 2.14 H new ATOM 0 HB2 TYR A 54 22.353 -11.912 -1.752 1.00 23.32 H new ATOM 0 HB3 TYR A 54 22.466 -13.238 -2.892 1.00 23.32 H new ATOM 0 HD1 TYR A 54 24.588 -10.577 -1.317 1.00 14.02 H new ATOM 0 HD2 TYR A 54 24.456 -14.487 -3.007 1.00 10.20 H new ATOM 0 HE1 TYR A 54 26.926 -10.937 -0.663 1.00 12.11 H new ATOM 0 HE2 TYR A 54 26.793 -14.850 -2.351 1.00 22.14 H new ATOM 0 HH TYR A 54 28.592 -14.014 -1.379 1.00 73.23 H new ATOM 887 N VAL A 55 20.770 -10.608 -5.001 1.00 71.32 N ATOM 888 CA VAL A 55 19.548 -10.797 -5.774 1.00 42.22 C ATOM 889 C VAL A 55 19.271 -9.592 -6.666 1.00 54.10 C ATOM 890 O VAL A 55 19.466 -8.447 -6.258 1.00 44.13 O ATOM 891 CB VAL A 55 18.334 -11.033 -4.856 1.00 41.23 C ATOM 892 CG1 VAL A 55 18.345 -12.452 -4.310 1.00 62.52 C ATOM 893 CG2 VAL A 55 18.318 -10.017 -3.724 1.00 35.32 C ATOM 0 H VAL A 55 21.014 -9.633 -4.830 1.00 71.32 H new ATOM 0 HA VAL A 55 19.700 -11.679 -6.396 1.00 42.22 H new ATOM 0 HB VAL A 55 17.425 -10.903 -5.443 1.00 41.23 H new ATOM 0 HG11 VAL A 55 17.480 -12.600 -3.664 1.00 62.52 H new ATOM 0 HG12 VAL A 55 18.305 -13.161 -5.137 1.00 62.52 H new ATOM 0 HG13 VAL A 55 19.258 -12.614 -3.737 1.00 62.52 H new ATOM 0 HG21 VAL A 55 17.454 -10.198 -3.085 1.00 35.32 H new ATOM 0 HG22 VAL A 55 19.231 -10.113 -3.136 1.00 35.32 H new ATOM 0 HG23 VAL A 55 18.258 -9.011 -4.139 1.00 35.32 H new ATOM 903 N ARG A 56 18.813 -9.858 -7.885 1.00 50.21 N ATOM 904 CA ARG A 56 18.509 -8.795 -8.836 1.00 32.14 C ATOM 905 C ARG A 56 17.010 -8.726 -9.113 1.00 71.51 C ATOM 906 O ARG A 56 16.422 -9.673 -9.638 1.00 0.24 O ATOM 907 CB ARG A 56 19.271 -9.018 -10.143 1.00 52.13 C ATOM 908 CG ARG A 56 18.830 -8.098 -11.270 1.00 14.54 C ATOM 909 CD ARG A 56 19.577 -8.398 -12.559 1.00 40.15 C ATOM 910 NE ARG A 56 20.761 -7.557 -12.715 1.00 14.42 N ATOM 911 CZ ARG A 56 21.779 -7.861 -13.511 1.00 41.24 C ATOM 912 NH1 ARG A 56 21.758 -8.980 -14.221 1.00 62.35 N ATOM 913 NH2 ARG A 56 22.821 -7.044 -13.599 1.00 63.23 N ATOM 0 H ARG A 56 18.644 -10.800 -8.237 1.00 50.21 H new ATOM 0 HA ARG A 56 18.824 -7.848 -8.398 1.00 32.14 H new ATOM 0 HB2 ARG A 56 20.336 -8.872 -9.962 1.00 52.13 H new ATOM 0 HB3 ARG A 56 19.140 -10.053 -10.458 1.00 52.13 H new ATOM 0 HG2 ARG A 56 17.758 -8.211 -11.435 1.00 14.54 H new ATOM 0 HG3 ARG A 56 19.001 -7.061 -10.982 1.00 14.54 H new ATOM 0 HD2 ARG A 56 19.874 -9.447 -12.570 1.00 40.15 H new ATOM 0 HD3 ARG A 56 18.910 -8.246 -13.408 1.00 40.15 H new ATOM 0 HE ARG A 56 20.808 -6.688 -12.183 1.00 14.42 H new ATOM 0 HH11 ARG A 56 20.958 -9.610 -14.157 1.00 62.35 H new ATOM 0 HH12 ARG A 56 22.541 -9.211 -14.832 1.00 62.35 H new ATOM 0 HH21 ARG A 56 22.840 -6.182 -13.055 1.00 63.23 H new ATOM 0 HH22 ARG A 56 23.603 -7.278 -14.211 1.00 63.23 H new ATOM 927 N ILE A 57 16.399 -7.602 -8.757 1.00 55.34 N ATOM 928 CA ILE A 57 14.969 -7.410 -8.969 1.00 21.13 C ATOM 929 C ILE A 57 14.638 -7.342 -10.456 1.00 14.55 C ATOM 930 O ILE A 57 14.965 -6.365 -11.130 1.00 42.03 O ATOM 931 CB ILE A 57 14.466 -6.127 -8.282 1.00 54.42 C ATOM 932 CG1 ILE A 57 14.911 -6.097 -6.819 1.00 14.14 C ATOM 933 CG2 ILE A 57 12.951 -6.031 -8.383 1.00 74.50 C ATOM 934 CD1 ILE A 57 14.320 -7.212 -5.985 1.00 22.42 C ATOM 0 H ILE A 57 16.871 -6.810 -8.320 1.00 55.34 H new ATOM 0 HA ILE A 57 14.466 -8.270 -8.527 1.00 21.13 H new ATOM 0 HB ILE A 57 14.900 -5.266 -8.791 1.00 54.42 H new ATOM 0 HG12 ILE A 57 15.998 -6.160 -6.777 1.00 14.14 H new ATOM 0 HG13 ILE A 57 14.630 -5.139 -6.382 1.00 14.14 H new ATOM 0 HG21 ILE A 57 12.611 -5.119 -7.893 1.00 74.50 H new ATOM 0 HG22 ILE A 57 12.657 -6.010 -9.432 1.00 74.50 H new ATOM 0 HG23 ILE A 57 12.498 -6.895 -7.896 1.00 74.50 H new ATOM 0 HD11 ILE A 57 14.679 -7.128 -4.959 1.00 22.42 H new ATOM 0 HD12 ILE A 57 13.233 -7.138 -5.996 1.00 22.42 H new ATOM 0 HD13 ILE A 57 14.622 -8.175 -6.398 1.00 22.42 H new ATOM 946 N ILE A 58 13.985 -8.383 -10.959 1.00 74.41 N ATOM 947 CA ILE A 58 13.606 -8.440 -12.365 1.00 51.15 C ATOM 948 C ILE A 58 12.138 -8.822 -12.525 1.00 23.13 C ATOM 949 O ILE A 58 11.480 -9.215 -11.561 1.00 4.20 O ATOM 950 CB ILE A 58 14.474 -9.447 -13.142 1.00 62.23 C ATOM 951 CG1 ILE A 58 14.470 -10.806 -12.439 1.00 62.00 C ATOM 952 CG2 ILE A 58 15.895 -8.922 -13.285 1.00 21.45 C ATOM 953 CD1 ILE A 58 14.533 -11.979 -13.391 1.00 62.54 C ATOM 0 H ILE A 58 13.707 -9.199 -10.414 1.00 74.41 H new ATOM 0 HA ILE A 58 13.766 -7.443 -12.775 1.00 51.15 H new ATOM 0 HB ILE A 58 14.053 -9.574 -14.139 1.00 62.23 H new ATOM 0 HG12 ILE A 58 15.319 -10.856 -11.757 1.00 62.00 H new ATOM 0 HG13 ILE A 58 13.569 -10.889 -11.832 1.00 62.00 H new ATOM 0 HG21 ILE A 58 16.496 -9.645 -13.836 1.00 21.45 H new ATOM 0 HG22 ILE A 58 15.880 -7.975 -13.825 1.00 21.45 H new ATOM 0 HG23 ILE A 58 16.328 -8.769 -12.296 1.00 21.45 H new ATOM 0 HD11 ILE A 58 14.527 -12.909 -12.823 1.00 62.54 H new ATOM 0 HD12 ILE A 58 13.670 -11.954 -14.057 1.00 62.54 H new ATOM 0 HD13 ILE A 58 15.448 -11.920 -13.981 1.00 62.54 H new ATOM 965 N ASP A 59 11.632 -8.706 -13.747 1.00 52.02 N ATOM 966 CA ASP A 59 10.242 -9.042 -14.034 1.00 61.12 C ATOM 967 C ASP A 59 10.156 -10.246 -14.967 1.00 33.55 C ATOM 968 O ASP A 59 10.954 -10.386 -15.894 1.00 41.41 O ATOM 969 CB ASP A 59 9.524 -7.845 -14.659 1.00 62.04 C ATOM 970 CG ASP A 59 8.065 -8.134 -14.954 1.00 3.14 C ATOM 971 OD1 ASP A 59 7.476 -8.984 -14.254 1.00 3.34 O ATOM 972 OD2 ASP A 59 7.513 -7.511 -15.884 1.00 54.34 O ATOM 0 H ASP A 59 12.163 -8.382 -14.555 1.00 52.02 H new ATOM 0 HA ASP A 59 9.754 -9.298 -13.093 1.00 61.12 H new ATOM 0 HB2 ASP A 59 9.593 -6.991 -13.985 1.00 62.04 H new ATOM 0 HB3 ASP A 59 10.030 -7.564 -15.583 1.00 62.04 H new ATOM 977 N LEU A 60 9.183 -11.115 -14.714 1.00 30.12 N ATOM 978 CA LEU A 60 8.992 -12.309 -15.530 1.00 24.22 C ATOM 979 C LEU A 60 8.568 -11.938 -16.947 1.00 63.13 C ATOM 980 O LEU A 60 8.791 -12.696 -17.891 1.00 24.12 O ATOM 981 CB LEU A 60 7.943 -13.223 -14.894 1.00 63.22 C ATOM 982 CG LEU A 60 8.482 -14.365 -14.032 1.00 20.22 C ATOM 983 CD1 LEU A 60 9.217 -15.382 -14.891 1.00 43.01 C ATOM 984 CD2 LEU A 60 9.396 -13.825 -12.942 1.00 2.22 C ATOM 0 H LEU A 60 8.514 -11.015 -13.950 1.00 30.12 H new ATOM 0 HA LEU A 60 9.943 -12.839 -15.582 1.00 24.22 H new ATOM 0 HB2 LEU A 60 7.282 -12.612 -14.280 1.00 63.22 H new ATOM 0 HB3 LEU A 60 7.333 -13.651 -15.689 1.00 63.22 H new ATOM 0 HG LEU A 60 7.638 -14.865 -13.556 1.00 20.22 H new ATOM 0 HD11 LEU A 60 9.593 -16.187 -14.260 1.00 43.01 H new ATOM 0 HD12 LEU A 60 8.533 -15.793 -15.634 1.00 43.01 H new ATOM 0 HD13 LEU A 60 10.052 -14.896 -15.396 1.00 43.01 H new ATOM 0 HD21 LEU A 60 9.770 -14.652 -12.338 1.00 2.22 H new ATOM 0 HD22 LEU A 60 10.235 -13.300 -13.398 1.00 2.22 H new ATOM 0 HD23 LEU A 60 8.838 -13.136 -12.308 1.00 2.22 H new ATOM 996 N MET A 61 7.958 -10.766 -17.089 1.00 33.30 N ATOM 997 CA MET A 61 7.506 -10.293 -18.392 1.00 72.23 C ATOM 998 C MET A 61 8.591 -9.468 -19.077 1.00 74.13 C ATOM 999 O MET A 61 8.666 -9.422 -20.305 1.00 52.43 O ATOM 1000 CB MET A 61 6.232 -9.459 -18.242 1.00 43.33 C ATOM 1001 CG MET A 61 5.055 -10.242 -17.685 1.00 54.14 C ATOM 1002 SD MET A 61 4.965 -10.176 -15.886 1.00 24.23 S ATOM 1003 CE MET A 61 4.693 -11.903 -15.497 1.00 22.30 C ATOM 0 H MET A 61 7.765 -10.127 -16.318 1.00 33.30 H new ATOM 0 HA MET A 61 7.290 -11.163 -19.012 1.00 72.23 H new ATOM 0 HB2 MET A 61 6.437 -8.612 -17.587 1.00 43.33 H new ATOM 0 HB3 MET A 61 5.958 -9.051 -19.215 1.00 43.33 H new ATOM 0 HG2 MET A 61 4.130 -9.848 -18.106 1.00 54.14 H new ATOM 0 HG3 MET A 61 5.132 -11.282 -18.003 1.00 54.14 H new ATOM 0 HE1 MET A 61 4.896 -12.074 -14.440 1.00 22.30 H new ATOM 0 HE2 MET A 61 3.658 -12.166 -15.715 1.00 22.30 H new ATOM 0 HE3 MET A 61 5.359 -12.521 -16.099 1.00 22.30 H new ATOM 1013 N ASP A 62 9.428 -8.819 -18.276 1.00 50.32 N ATOM 1014 CA ASP A 62 10.509 -7.996 -18.806 1.00 3.23 C ATOM 1015 C ASP A 62 11.708 -8.001 -17.862 1.00 51.40 C ATOM 1016 O ASP A 62 11.986 -7.023 -17.167 1.00 40.14 O ATOM 1017 CB ASP A 62 10.026 -6.562 -19.029 1.00 34.14 C ATOM 1018 CG ASP A 62 10.785 -5.861 -20.137 1.00 40.44 C ATOM 1019 OD1 ASP A 62 12.018 -6.042 -20.218 1.00 53.14 O ATOM 1020 OD2 ASP A 62 10.147 -5.130 -20.924 1.00 12.42 O ATOM 0 H ASP A 62 9.379 -8.847 -17.258 1.00 50.32 H new ATOM 0 HA ASP A 62 10.819 -8.419 -19.762 1.00 3.23 H new ATOM 0 HB2 ASP A 62 8.963 -6.573 -19.271 1.00 34.14 H new ATOM 0 HB3 ASP A 62 10.136 -5.997 -18.103 1.00 34.14 H new ATOM 1025 N PRO A 63 12.435 -9.127 -17.834 1.00 70.41 N ATOM 1026 CA PRO A 63 13.615 -9.287 -16.979 1.00 61.03 C ATOM 1027 C PRO A 63 14.786 -8.427 -17.441 1.00 42.52 C ATOM 1028 O PRO A 63 15.782 -8.284 -16.732 1.00 33.30 O ATOM 1029 CB PRO A 63 13.956 -10.773 -17.119 1.00 14.24 C ATOM 1030 CG PRO A 63 13.397 -11.167 -18.442 1.00 60.02 C ATOM 1031 CD PRO A 63 12.161 -10.332 -18.635 1.00 64.24 C ATOM 0 HA PRO A 63 13.420 -8.975 -15.953 1.00 61.03 H new ATOM 0 HB2 PRO A 63 15.033 -10.937 -17.079 1.00 14.24 H new ATOM 0 HB3 PRO A 63 13.514 -11.358 -16.312 1.00 14.24 H new ATOM 0 HG2 PRO A 63 14.118 -10.987 -19.239 1.00 60.02 H new ATOM 0 HG3 PRO A 63 13.157 -12.230 -18.463 1.00 60.02 H new ATOM 0 HD2 PRO A 63 12.001 -10.088 -19.685 1.00 64.24 H new ATOM 0 HD3 PRO A 63 11.267 -10.851 -18.288 1.00 64.24 H new ATOM 1039 N ALA A 64 14.660 -7.854 -18.634 1.00 72.41 N ATOM 1040 CA ALA A 64 15.707 -7.006 -19.189 1.00 51.21 C ATOM 1041 C ALA A 64 15.480 -5.543 -18.823 1.00 13.00 C ATOM 1042 O ALA A 64 16.364 -4.704 -18.996 1.00 70.01 O ATOM 1043 CB ALA A 64 15.773 -7.169 -20.700 1.00 62.53 C ATOM 0 H ALA A 64 13.843 -7.962 -19.234 1.00 72.41 H new ATOM 0 HA ALA A 64 16.659 -7.318 -18.759 1.00 51.21 H new ATOM 0 HB1 ALA A 64 16.559 -6.530 -21.101 1.00 62.53 H new ATOM 0 HB2 ALA A 64 15.991 -8.209 -20.945 1.00 62.53 H new ATOM 0 HB3 ALA A 64 14.816 -6.886 -21.139 1.00 62.53 H new ATOM 1049 N LYS A 65 14.288 -5.243 -18.317 1.00 5.15 N ATOM 1050 CA LYS A 65 13.944 -3.881 -17.925 1.00 60.20 C ATOM 1051 C LYS A 65 14.638 -3.498 -16.622 1.00 42.41 C ATOM 1052 O LYS A 65 15.301 -2.463 -16.542 1.00 11.01 O ATOM 1053 CB LYS A 65 12.428 -3.742 -17.768 1.00 1.21 C ATOM 1054 CG LYS A 65 11.927 -2.319 -17.944 1.00 74.15 C ATOM 1055 CD LYS A 65 10.469 -2.187 -17.536 1.00 2.25 C ATOM 1056 CE LYS A 65 9.540 -2.774 -18.587 1.00 32.13 C ATOM 1057 NZ LYS A 65 8.906 -1.715 -19.420 1.00 73.52 N ATOM 0 H LYS A 65 13.544 -5.925 -18.169 1.00 5.15 H new ATOM 0 HA LYS A 65 14.286 -3.206 -18.710 1.00 60.20 H new ATOM 0 HB2 LYS A 65 11.935 -4.385 -18.497 1.00 1.21 H new ATOM 0 HB3 LYS A 65 12.139 -4.101 -16.780 1.00 1.21 H new ATOM 0 HG2 LYS A 65 12.536 -1.641 -17.346 1.00 74.15 H new ATOM 0 HG3 LYS A 65 12.043 -2.017 -18.985 1.00 74.15 H new ATOM 0 HD2 LYS A 65 10.309 -2.694 -16.584 1.00 2.25 H new ATOM 0 HD3 LYS A 65 10.227 -1.135 -17.382 1.00 2.25 H new ATOM 0 HE2 LYS A 65 10.101 -3.454 -19.229 1.00 32.13 H new ATOM 0 HE3 LYS A 65 8.765 -3.364 -18.098 1.00 32.13 H new ATOM 0 HZ1 LYS A 65 8.280 -2.155 -20.124 1.00 73.52 H new ATOM 0 HZ2 LYS A 65 8.350 -1.081 -18.811 1.00 73.52 H new ATOM 0 HZ3 LYS A 65 9.644 -1.168 -19.907 1.00 73.52 H new ATOM 1071 N TYR A 66 14.483 -4.338 -15.605 1.00 41.30 N ATOM 1072 CA TYR A 66 15.094 -4.086 -14.306 1.00 5.35 C ATOM 1073 C TYR A 66 16.393 -4.872 -14.153 1.00 32.15 C ATOM 1074 O TYR A 66 16.839 -5.145 -13.038 1.00 51.45 O ATOM 1075 CB TYR A 66 14.125 -4.457 -13.182 1.00 1.41 C ATOM 1076 CG TYR A 66 12.894 -3.580 -13.130 1.00 5.42 C ATOM 1077 CD1 TYR A 66 11.826 -3.797 -13.991 1.00 33.23 C ATOM 1078 CD2 TYR A 66 12.801 -2.533 -12.221 1.00 33.12 C ATOM 1079 CE1 TYR A 66 10.699 -2.998 -13.947 1.00 65.24 C ATOM 1080 CE2 TYR A 66 11.678 -1.730 -12.169 1.00 71.14 C ATOM 1081 CZ TYR A 66 10.630 -1.966 -13.035 1.00 22.43 C ATOM 1082 OH TYR A 66 9.511 -1.168 -12.988 1.00 15.34 O ATOM 0 H TYR A 66 13.939 -5.200 -15.655 1.00 41.30 H new ATOM 0 HA TYR A 66 15.324 -3.023 -14.242 1.00 5.35 H new ATOM 0 HB2 TYR A 66 13.816 -5.495 -13.307 1.00 1.41 H new ATOM 0 HB3 TYR A 66 14.647 -4.393 -12.227 1.00 1.41 H new ATOM 0 HD1 TYR A 66 11.877 -4.604 -14.707 1.00 33.23 H new ATOM 0 HD2 TYR A 66 13.621 -2.344 -11.544 1.00 33.12 H new ATOM 0 HE1 TYR A 66 9.877 -3.181 -14.623 1.00 65.24 H new ATOM 0 HE2 TYR A 66 11.621 -0.922 -11.455 1.00 71.14 H new ATOM 0 HH TYR A 66 9.622 -0.489 -12.290 1.00 15.34 H new ATOM 1092 N ALA A 67 16.994 -5.233 -15.281 1.00 65.41 N ATOM 1093 CA ALA A 67 18.243 -5.986 -15.274 1.00 52.13 C ATOM 1094 C ALA A 67 19.438 -5.064 -15.058 1.00 63.32 C ATOM 1095 O ALA A 67 20.504 -5.505 -14.627 1.00 50.25 O ATOM 1096 CB ALA A 67 18.399 -6.760 -16.574 1.00 63.55 C ATOM 0 H ALA A 67 16.637 -5.017 -16.212 1.00 65.41 H new ATOM 0 HA ALA A 67 18.208 -6.693 -14.445 1.00 52.13 H new ATOM 0 HB1 ALA A 67 19.335 -7.318 -16.555 1.00 63.55 H new ATOM 0 HB2 ALA A 67 17.566 -7.454 -16.687 1.00 63.55 H new ATOM 0 HB3 ALA A 67 18.408 -6.064 -17.413 1.00 63.55 H new ATOM 1102 N SER A 68 19.254 -3.783 -15.361 1.00 22.14 N ATOM 1103 CA SER A 68 20.320 -2.800 -15.204 1.00 14.14 C ATOM 1104 C SER A 68 20.183 -2.058 -13.877 1.00 51.15 C ATOM 1105 O SER A 68 21.099 -1.358 -13.447 1.00 45.32 O ATOM 1106 CB SER A 68 20.297 -1.803 -16.364 1.00 1.34 C ATOM 1107 OG SER A 68 21.576 -1.228 -16.567 1.00 65.20 O ATOM 0 H SER A 68 18.377 -3.402 -15.716 1.00 22.14 H new ATOM 0 HA SER A 68 21.273 -3.329 -15.208 1.00 14.14 H new ATOM 0 HB2 SER A 68 19.973 -2.307 -17.274 1.00 1.34 H new ATOM 0 HB3 SER A 68 19.570 -1.017 -16.158 1.00 1.34 H new ATOM 0 HG SER A 68 21.535 -0.596 -17.315 1.00 65.20 H new ATOM 1113 N VAL A 69 19.031 -2.217 -13.234 1.00 12.23 N ATOM 1114 CA VAL A 69 18.773 -1.564 -11.956 1.00 13.31 C ATOM 1115 C VAL A 69 19.901 -1.829 -10.965 1.00 53.04 C ATOM 1116 O VAL A 69 20.451 -2.929 -10.916 1.00 30.25 O ATOM 1117 CB VAL A 69 17.442 -2.038 -11.342 1.00 25.55 C ATOM 1118 CG1 VAL A 69 17.300 -1.527 -9.916 1.00 20.50 C ATOM 1119 CG2 VAL A 69 16.269 -1.587 -12.198 1.00 63.02 C ATOM 0 H VAL A 69 18.262 -2.792 -13.577 1.00 12.23 H new ATOM 0 HA VAL A 69 18.712 -0.494 -12.154 1.00 13.31 H new ATOM 0 HB VAL A 69 17.443 -3.128 -11.314 1.00 25.55 H new ATOM 0 HG11 VAL A 69 16.354 -1.872 -9.498 1.00 20.50 H new ATOM 0 HG12 VAL A 69 18.123 -1.905 -9.310 1.00 20.50 H new ATOM 0 HG13 VAL A 69 17.321 -0.437 -9.916 1.00 20.50 H new ATOM 0 HG21 VAL A 69 15.337 -1.931 -11.749 1.00 63.02 H new ATOM 0 HG22 VAL A 69 16.262 -0.499 -12.261 1.00 63.02 H new ATOM 0 HG23 VAL A 69 16.366 -2.008 -13.199 1.00 63.02 H new ATOM 1129 N ASP A 70 20.240 -0.814 -10.178 1.00 60.21 N ATOM 1130 CA ASP A 70 21.302 -0.938 -9.187 1.00 2.35 C ATOM 1131 C ASP A 70 20.740 -1.384 -7.841 1.00 32.34 C ATOM 1132 O ASP A 70 20.603 -0.583 -6.915 1.00 71.14 O ATOM 1133 CB ASP A 70 22.039 0.393 -9.029 1.00 2.20 C ATOM 1134 CG ASP A 70 22.521 0.949 -10.355 1.00 34.12 C ATOM 1135 OD1 ASP A 70 22.825 0.144 -11.260 1.00 32.04 O ATOM 1136 OD2 ASP A 70 22.594 2.189 -10.487 1.00 70.34 O ATOM 0 H ASP A 70 19.795 0.103 -10.207 1.00 60.21 H new ATOM 0 HA ASP A 70 22.004 -1.695 -9.536 1.00 2.35 H new ATOM 0 HB2 ASP A 70 21.377 1.117 -8.554 1.00 2.20 H new ATOM 0 HB3 ASP A 70 22.892 0.256 -8.364 1.00 2.20 H new ATOM 1141 N THR A 71 20.414 -2.669 -7.738 1.00 30.20 N ATOM 1142 CA THR A 71 19.864 -3.222 -6.507 1.00 23.33 C ATOM 1143 C THR A 71 20.679 -2.784 -5.295 1.00 63.13 C ATOM 1144 O THR A 71 20.133 -2.564 -4.214 1.00 51.21 O ATOM 1145 CB THR A 71 19.821 -4.761 -6.553 1.00 32.35 C ATOM 1146 OG1 THR A 71 20.738 -5.248 -7.538 1.00 64.21 O ATOM 1147 CG2 THR A 71 18.417 -5.254 -6.872 1.00 3.32 C ATOM 0 H THR A 71 20.522 -3.346 -8.493 1.00 30.20 H new ATOM 0 HA THR A 71 18.847 -2.840 -6.415 1.00 23.33 H new ATOM 0 HB THR A 71 20.108 -5.140 -5.572 1.00 32.35 H new ATOM 0 HG1 THR A 71 20.706 -6.227 -7.559 1.00 64.21 H new ATOM 0 HG21 THR A 71 18.411 -6.344 -6.899 1.00 3.32 H new ATOM 0 HG22 THR A 71 17.726 -4.907 -6.104 1.00 3.32 H new ATOM 0 HG23 THR A 71 18.106 -4.865 -7.842 1.00 3.32 H new ATOM 1155 N TYR A 72 21.988 -2.659 -5.483 1.00 3.12 N ATOM 1156 CA TYR A 72 22.879 -2.248 -4.404 1.00 21.30 C ATOM 1157 C TYR A 72 22.500 -0.867 -3.880 1.00 52.53 C ATOM 1158 O TYR A 72 22.456 -0.639 -2.671 1.00 45.12 O ATOM 1159 CB TYR A 72 24.330 -2.242 -4.887 1.00 64.12 C ATOM 1160 CG TYR A 72 25.294 -1.622 -3.901 1.00 43.22 C ATOM 1161 CD1 TYR A 72 25.495 -2.186 -2.647 1.00 71.13 C ATOM 1162 CD2 TYR A 72 26.003 -0.471 -4.223 1.00 25.24 C ATOM 1163 CE1 TYR A 72 26.374 -1.623 -1.743 1.00 11.53 C ATOM 1164 CE2 TYR A 72 26.886 0.098 -3.325 1.00 54.40 C ATOM 1165 CZ TYR A 72 27.067 -0.481 -2.086 1.00 43.24 C ATOM 1166 OH TYR A 72 27.944 0.084 -1.189 1.00 0.31 O ATOM 0 H TYR A 72 22.456 -2.836 -6.372 1.00 3.12 H new ATOM 0 HA TYR A 72 22.777 -2.966 -3.590 1.00 21.30 H new ATOM 0 HB2 TYR A 72 24.641 -3.267 -5.090 1.00 64.12 H new ATOM 0 HB3 TYR A 72 24.388 -1.698 -5.830 1.00 64.12 H new ATOM 0 HD1 TYR A 72 24.954 -3.080 -2.375 1.00 71.13 H new ATOM 0 HD2 TYR A 72 25.862 -0.014 -5.191 1.00 25.24 H new ATOM 0 HE1 TYR A 72 26.518 -2.075 -0.773 1.00 11.53 H new ATOM 0 HE2 TYR A 72 27.431 0.991 -3.592 1.00 54.40 H new ATOM 0 HH TYR A 72 28.350 0.882 -1.587 1.00 0.31 H new ATOM 1176 N ASP A 73 22.225 0.052 -4.800 1.00 2.24 N ATOM 1177 CA ASP A 73 21.847 1.412 -4.433 1.00 4.14 C ATOM 1178 C ASP A 73 20.527 1.422 -3.668 1.00 63.31 C ATOM 1179 O ASP A 73 19.476 1.097 -4.221 1.00 23.53 O ATOM 1180 CB ASP A 73 21.734 2.287 -5.682 1.00 1.54 C ATOM 1181 CG ASP A 73 21.634 3.763 -5.347 1.00 61.15 C ATOM 1182 OD1 ASP A 73 21.941 4.133 -4.194 1.00 73.44 O ATOM 1183 OD2 ASP A 73 21.250 4.548 -6.239 1.00 42.02 O ATOM 0 H ASP A 73 22.257 -0.120 -5.805 1.00 2.24 H new ATOM 0 HA ASP A 73 22.624 1.816 -3.785 1.00 4.14 H new ATOM 0 HB2 ASP A 73 22.602 2.120 -6.319 1.00 1.54 H new ATOM 0 HB3 ASP A 73 20.856 1.987 -6.254 1.00 1.54 H new ATOM 1188 N ARG A 74 20.590 1.796 -2.394 1.00 73.43 N ATOM 1189 CA ARG A 74 19.400 1.845 -1.553 1.00 52.24 C ATOM 1190 C ARG A 74 18.332 2.741 -2.174 1.00 41.15 C ATOM 1191 O ARG A 74 17.143 2.589 -1.896 1.00 41.34 O ATOM 1192 CB ARG A 74 19.758 2.354 -0.156 1.00 32.12 C ATOM 1193 CG ARG A 74 19.986 3.855 -0.094 1.00 41.42 C ATOM 1194 CD ARG A 74 21.277 4.252 -0.793 1.00 61.32 C ATOM 1195 NE ARG A 74 22.414 3.460 -0.332 1.00 64.24 N ATOM 1196 CZ ARG A 74 23.583 3.417 -0.962 1.00 23.21 C ATOM 1197 NH1 ARG A 74 23.768 4.117 -2.073 1.00 0.15 N ATOM 1198 NH2 ARG A 74 24.571 2.673 -0.480 1.00 73.44 N ATOM 0 H ARG A 74 21.452 2.069 -1.922 1.00 73.43 H new ATOM 0 HA ARG A 74 19.000 0.834 -1.473 1.00 52.24 H new ATOM 0 HB2 ARG A 74 18.958 2.088 0.534 1.00 32.12 H new ATOM 0 HB3 ARG A 74 20.658 1.844 0.188 1.00 32.12 H new ATOM 0 HG2 ARG A 74 19.146 4.371 -0.559 1.00 41.42 H new ATOM 0 HG3 ARG A 74 20.021 4.176 0.947 1.00 41.42 H new ATOM 0 HD2 ARG A 74 21.160 4.126 -1.869 1.00 61.32 H new ATOM 0 HD3 ARG A 74 21.475 5.309 -0.615 1.00 61.32 H new ATOM 0 HE ARG A 74 22.305 2.910 0.520 1.00 64.24 H new ATOM 0 HH11 ARG A 74 23.012 4.691 -2.446 1.00 0.15 H new ATOM 0 HH12 ARG A 74 24.667 4.082 -2.554 1.00 0.15 H new ATOM 0 HH21 ARG A 74 24.433 2.134 0.375 1.00 73.44 H new ATOM 0 HH22 ARG A 74 25.468 2.641 -0.964 1.00 73.44 H new ATOM 1212 N GLU A 75 18.766 3.674 -3.016 1.00 1.42 N ATOM 1213 CA GLU A 75 17.847 4.595 -3.675 1.00 10.14 C ATOM 1214 C GLU A 75 16.936 3.852 -4.647 1.00 63.54 C ATOM 1215 O GLU A 75 15.712 3.910 -4.535 1.00 42.20 O ATOM 1216 CB GLU A 75 18.625 5.683 -4.417 1.00 41.14 C ATOM 1217 CG GLU A 75 18.714 6.995 -3.656 1.00 55.35 C ATOM 1218 CD GLU A 75 19.154 8.150 -4.535 1.00 12.53 C ATOM 1219 OE1 GLU A 75 18.292 8.729 -5.229 1.00 12.11 O ATOM 1220 OE2 GLU A 75 20.359 8.476 -4.528 1.00 64.51 O ATOM 0 H GLU A 75 19.747 3.812 -3.258 1.00 1.42 H new ATOM 0 HA GLU A 75 17.228 5.061 -2.908 1.00 10.14 H new ATOM 0 HB2 GLU A 75 19.633 5.322 -4.621 1.00 41.14 H new ATOM 0 HB3 GLU A 75 18.150 5.864 -5.381 1.00 41.14 H new ATOM 0 HG2 GLU A 75 17.742 7.225 -3.220 1.00 55.35 H new ATOM 0 HG3 GLU A 75 19.416 6.884 -2.829 1.00 55.35 H new ATOM 1227 N GLN A 76 17.544 3.154 -5.602 1.00 32.23 N ATOM 1228 CA GLN A 76 16.788 2.400 -6.595 1.00 31.00 C ATOM 1229 C GLN A 76 15.873 1.381 -5.924 1.00 61.53 C ATOM 1230 O GLN A 76 14.662 1.380 -6.143 1.00 35.23 O ATOM 1231 CB GLN A 76 17.739 1.692 -7.561 1.00 22.41 C ATOM 1232 CG GLN A 76 18.767 2.617 -8.191 1.00 2.40 C ATOM 1233 CD GLN A 76 18.581 2.763 -9.688 1.00 65.35 C ATOM 1234 OE1 GLN A 76 17.492 3.088 -10.162 1.00 4.31 O ATOM 1235 NE2 GLN A 76 19.647 2.522 -10.444 1.00 32.54 N ATOM 0 H GLN A 76 18.557 3.095 -5.709 1.00 32.23 H new ATOM 0 HA GLN A 76 16.170 3.102 -7.155 1.00 31.00 H new ATOM 0 HB2 GLN A 76 18.258 0.895 -7.028 1.00 22.41 H new ATOM 0 HB3 GLN A 76 17.155 1.219 -8.351 1.00 22.41 H new ATOM 0 HG2 GLN A 76 18.701 3.599 -7.723 1.00 2.40 H new ATOM 0 HG3 GLN A 76 19.767 2.234 -7.989 1.00 2.40 H new ATOM 0 HE21 GLN A 76 20.530 2.255 -10.010 1.00 32.54 H new ATOM 0 HE22 GLN A 76 19.582 2.604 -11.459 1.00 32.54 H new ATOM 1244 N VAL A 77 16.461 0.513 -5.107 1.00 21.31 N ATOM 1245 CA VAL A 77 15.699 -0.512 -4.403 1.00 70.14 C ATOM 1246 C VAL A 77 14.542 0.102 -3.623 1.00 3.01 C ATOM 1247 O VAL A 77 13.496 -0.523 -3.450 1.00 4.35 O ATOM 1248 CB VAL A 77 16.592 -1.309 -3.434 1.00 71.42 C ATOM 1249 CG1 VAL A 77 16.572 -0.680 -2.050 1.00 20.25 C ATOM 1250 CG2 VAL A 77 16.148 -2.763 -3.375 1.00 34.03 C ATOM 0 H VAL A 77 17.463 0.499 -4.916 1.00 21.31 H new ATOM 0 HA VAL A 77 15.304 -1.189 -5.160 1.00 70.14 H new ATOM 0 HB VAL A 77 17.617 -1.281 -3.804 1.00 71.42 H new ATOM 0 HG11 VAL A 77 17.209 -1.257 -1.379 1.00 20.25 H new ATOM 0 HG12 VAL A 77 16.942 0.344 -2.110 1.00 20.25 H new ATOM 0 HG13 VAL A 77 15.551 -0.675 -1.667 1.00 20.25 H new ATOM 0 HG21 VAL A 77 16.790 -3.312 -2.686 1.00 34.03 H new ATOM 0 HG22 VAL A 77 15.116 -2.814 -3.029 1.00 34.03 H new ATOM 0 HG23 VAL A 77 16.220 -3.206 -4.368 1.00 34.03 H new ATOM 1260 N MET A 78 14.738 1.330 -3.155 1.00 12.35 N ATOM 1261 CA MET A 78 13.709 2.030 -2.393 1.00 45.24 C ATOM 1262 C MET A 78 12.520 2.381 -3.281 1.00 73.44 C ATOM 1263 O MET A 78 11.382 2.017 -2.984 1.00 54.11 O ATOM 1264 CB MET A 78 14.285 3.302 -1.767 1.00 21.31 C ATOM 1265 CG MET A 78 14.672 3.138 -0.306 1.00 64.11 C ATOM 1266 SD MET A 78 15.000 4.714 0.506 1.00 25.34 S ATOM 1267 CE MET A 78 16.783 4.809 0.354 1.00 34.41 C ATOM 0 H MET A 78 15.598 1.861 -3.289 1.00 12.35 H new ATOM 0 HA MET A 78 13.365 1.366 -1.600 1.00 45.24 H new ATOM 0 HB2 MET A 78 15.163 3.611 -2.334 1.00 21.31 H new ATOM 0 HB3 MET A 78 13.551 4.104 -1.852 1.00 21.31 H new ATOM 0 HG2 MET A 78 13.871 2.621 0.222 1.00 64.11 H new ATOM 0 HG3 MET A 78 15.558 2.507 -0.237 1.00 64.11 H new ATOM 0 HE1 MET A 78 17.170 5.538 1.065 1.00 34.41 H new ATOM 0 HE2 MET A 78 17.219 3.832 0.562 1.00 34.41 H new ATOM 0 HE3 MET A 78 17.046 5.115 -0.659 1.00 34.41 H new ATOM 1277 N LYS A 79 12.790 3.089 -4.372 1.00 71.05 N ATOM 1278 CA LYS A 79 11.742 3.488 -5.305 1.00 5.10 C ATOM 1279 C LYS A 79 10.946 2.277 -5.779 1.00 71.15 C ATOM 1280 O LYS A 79 9.726 2.345 -5.931 1.00 12.53 O ATOM 1281 CB LYS A 79 12.351 4.215 -6.507 1.00 33.42 C ATOM 1282 CG LYS A 79 13.187 5.424 -6.127 1.00 13.51 C ATOM 1283 CD LYS A 79 14.311 5.660 -7.122 1.00 12.13 C ATOM 1284 CE LYS A 79 15.012 6.985 -6.866 1.00 42.45 C ATOM 1285 NZ LYS A 79 16.249 7.125 -7.684 1.00 52.04 N ATOM 0 H LYS A 79 13.726 3.399 -4.632 1.00 71.05 H new ATOM 0 HA LYS A 79 11.064 4.164 -4.784 1.00 5.10 H new ATOM 0 HB2 LYS A 79 12.972 3.516 -7.067 1.00 33.42 H new ATOM 0 HB3 LYS A 79 11.549 4.533 -7.173 1.00 33.42 H new ATOM 0 HG2 LYS A 79 12.550 6.307 -6.080 1.00 13.51 H new ATOM 0 HG3 LYS A 79 13.606 5.279 -5.131 1.00 13.51 H new ATOM 0 HD2 LYS A 79 15.033 4.846 -7.056 1.00 12.13 H new ATOM 0 HD3 LYS A 79 13.910 5.649 -8.135 1.00 12.13 H new ATOM 0 HE2 LYS A 79 14.332 7.806 -7.093 1.00 42.45 H new ATOM 0 HE3 LYS A 79 15.265 7.064 -5.809 1.00 42.45 H new ATOM 0 HZ1 LYS A 79 16.698 8.041 -7.481 1.00 52.04 H new ATOM 0 HZ2 LYS A 79 16.909 6.356 -7.449 1.00 52.04 H new ATOM 0 HZ3 LYS A 79 16.005 7.075 -8.694 1.00 52.04 H new ATOM 1299 N ILE A 80 11.643 1.170 -6.011 1.00 62.21 N ATOM 1300 CA ILE A 80 11.000 -0.057 -6.466 1.00 13.54 C ATOM 1301 C ILE A 80 10.066 -0.616 -5.397 1.00 42.05 C ATOM 1302 O ILE A 80 8.870 -0.788 -5.633 1.00 32.11 O ATOM 1303 CB ILE A 80 12.037 -1.132 -6.839 1.00 2.22 C ATOM 1304 CG1 ILE A 80 12.945 -0.627 -7.962 1.00 65.10 C ATOM 1305 CG2 ILE A 80 11.340 -2.419 -7.252 1.00 63.50 C ATOM 1306 CD1 ILE A 80 14.205 -1.447 -8.135 1.00 51.11 C ATOM 0 H ILE A 80 12.653 1.097 -5.891 1.00 62.21 H new ATOM 0 HA ILE A 80 10.421 0.200 -7.353 1.00 13.54 H new ATOM 0 HB ILE A 80 12.654 -1.341 -5.965 1.00 2.22 H new ATOM 0 HG12 ILE A 80 12.387 -0.631 -8.899 1.00 65.10 H new ATOM 0 HG13 ILE A 80 13.220 0.408 -7.759 1.00 65.10 H new ATOM 0 HG21 ILE A 80 12.086 -3.169 -7.513 1.00 63.50 H new ATOM 0 HG22 ILE A 80 10.731 -2.785 -6.425 1.00 63.50 H new ATOM 0 HG23 ILE A 80 10.702 -2.227 -8.115 1.00 63.50 H new ATOM 0 HD11 ILE A 80 14.801 -1.032 -8.948 1.00 51.11 H new ATOM 0 HD12 ILE A 80 14.784 -1.423 -7.212 1.00 51.11 H new ATOM 0 HD13 ILE A 80 13.939 -2.478 -8.370 1.00 51.11 H new ATOM 1318 N ILE A 81 10.621 -0.896 -4.223 1.00 34.11 N ATOM 1319 CA ILE A 81 9.837 -1.433 -3.117 1.00 71.25 C ATOM 1320 C ILE A 81 8.686 -0.501 -2.756 1.00 11.44 C ATOM 1321 O ILE A 81 7.604 -0.951 -2.379 1.00 54.32 O ATOM 1322 CB ILE A 81 10.709 -1.663 -1.869 1.00 34.12 C ATOM 1323 CG1 ILE A 81 11.787 -2.709 -2.159 1.00 5.43 C ATOM 1324 CG2 ILE A 81 9.846 -2.096 -0.693 1.00 72.30 C ATOM 1325 CD1 ILE A 81 12.820 -2.832 -1.060 1.00 42.33 C ATOM 0 H ILE A 81 11.610 -0.760 -4.013 1.00 34.11 H new ATOM 0 HA ILE A 81 9.435 -2.390 -3.450 1.00 71.25 H new ATOM 0 HB ILE A 81 11.200 -0.725 -1.609 1.00 34.12 H new ATOM 0 HG12 ILE A 81 11.311 -3.678 -2.309 1.00 5.43 H new ATOM 0 HG13 ILE A 81 12.289 -2.453 -3.092 1.00 5.43 H new ATOM 0 HG21 ILE A 81 10.476 -2.255 0.182 1.00 72.30 H new ATOM 0 HG22 ILE A 81 9.112 -1.320 -0.475 1.00 72.30 H new ATOM 0 HG23 ILE A 81 9.331 -3.024 -0.942 1.00 72.30 H new ATOM 0 HD11 ILE A 81 13.553 -3.591 -1.333 1.00 42.33 H new ATOM 0 HD12 ILE A 81 13.323 -1.874 -0.925 1.00 42.33 H new ATOM 0 HD13 ILE A 81 12.329 -3.119 -0.130 1.00 42.33 H new ATOM 1337 N ASP A 82 8.927 0.800 -2.874 1.00 14.54 N ATOM 1338 CA ASP A 82 7.909 1.798 -2.562 1.00 23.32 C ATOM 1339 C ASP A 82 6.802 1.790 -3.611 1.00 13.42 C ATOM 1340 O ASP A 82 5.620 1.700 -3.278 1.00 44.45 O ATOM 1341 CB ASP A 82 8.538 3.189 -2.476 1.00 1.23 C ATOM 1342 CG ASP A 82 7.532 4.256 -2.090 1.00 44.24 C ATOM 1343 OD1 ASP A 82 6.745 4.017 -1.152 1.00 13.14 O ATOM 1344 OD2 ASP A 82 7.532 5.330 -2.728 1.00 44.12 O ATOM 0 H ASP A 82 9.818 1.189 -3.183 1.00 14.54 H new ATOM 0 HA ASP A 82 7.471 1.546 -1.596 1.00 23.32 H new ATOM 0 HB2 ASP A 82 9.346 3.175 -1.745 1.00 1.23 H new ATOM 0 HB3 ASP A 82 8.983 3.444 -3.438 1.00 1.23 H new ATOM 1349 N GLU A 83 7.193 1.887 -4.878 1.00 33.03 N ATOM 1350 CA GLU A 83 6.232 1.893 -5.975 1.00 10.44 C ATOM 1351 C GLU A 83 5.435 0.593 -6.007 1.00 74.31 C ATOM 1352 O GLU A 83 4.206 0.606 -6.085 1.00 40.44 O ATOM 1353 CB GLU A 83 6.950 2.098 -7.310 1.00 64.40 C ATOM 1354 CG GLU A 83 7.274 3.551 -7.611 1.00 4.32 C ATOM 1355 CD GLU A 83 7.041 3.912 -9.065 1.00 11.30 C ATOM 1356 OE1 GLU A 83 7.878 3.537 -9.912 1.00 21.01 O ATOM 1357 OE2 GLU A 83 6.020 4.570 -9.356 1.00 11.34 O ATOM 0 H GLU A 83 8.167 1.962 -5.170 1.00 33.03 H new ATOM 0 HA GLU A 83 5.539 2.719 -5.813 1.00 10.44 H new ATOM 0 HB2 GLU A 83 7.875 1.521 -7.307 1.00 64.40 H new ATOM 0 HB3 GLU A 83 6.328 1.700 -8.112 1.00 64.40 H new ATOM 0 HG2 GLU A 83 6.662 4.194 -6.978 1.00 4.32 H new ATOM 0 HG3 GLU A 83 8.315 3.748 -7.354 1.00 4.32 H new ATOM 1364 N PHE A 84 6.143 -0.530 -5.947 1.00 71.11 N ATOM 1365 CA PHE A 84 5.503 -1.840 -5.971 1.00 74.12 C ATOM 1366 C PHE A 84 4.719 -2.086 -4.685 1.00 71.23 C ATOM 1367 O PHE A 84 3.900 -3.002 -4.609 1.00 74.01 O ATOM 1368 CB PHE A 84 6.549 -2.940 -6.162 1.00 44.51 C ATOM 1369 CG PHE A 84 7.024 -3.076 -7.581 1.00 12.23 C ATOM 1370 CD1 PHE A 84 7.681 -2.030 -8.209 1.00 23.23 C ATOM 1371 CD2 PHE A 84 6.813 -4.249 -8.286 1.00 74.51 C ATOM 1372 CE1 PHE A 84 8.118 -2.153 -9.514 1.00 50.22 C ATOM 1373 CE2 PHE A 84 7.248 -4.378 -9.592 1.00 35.12 C ATOM 1374 CZ PHE A 84 7.902 -3.329 -10.206 1.00 50.52 C ATOM 0 H PHE A 84 7.160 -0.559 -5.881 1.00 71.11 H new ATOM 0 HA PHE A 84 4.807 -1.861 -6.810 1.00 74.12 H new ATOM 0 HB2 PHE A 84 7.404 -2.732 -5.519 1.00 44.51 H new ATOM 0 HB3 PHE A 84 6.128 -3.891 -5.835 1.00 44.51 H new ATOM 0 HD1 PHE A 84 7.853 -1.109 -7.673 1.00 23.23 H new ATOM 0 HD2 PHE A 84 6.302 -5.073 -7.810 1.00 74.51 H new ATOM 0 HE1 PHE A 84 8.628 -1.330 -9.993 1.00 50.22 H new ATOM 0 HE2 PHE A 84 7.076 -5.298 -10.131 1.00 35.12 H new ATOM 0 HZ PHE A 84 8.244 -3.427 -11.226 1.00 50.52 H new ATOM 1384 N LYS A 85 4.977 -1.262 -3.675 1.00 71.15 N ATOM 1385 CA LYS A 85 4.297 -1.388 -2.392 1.00 12.41 C ATOM 1386 C LYS A 85 4.535 -2.766 -1.783 1.00 15.44 C ATOM 1387 O LYS A 85 3.587 -3.485 -1.464 1.00 25.13 O ATOM 1388 CB LYS A 85 2.795 -1.145 -2.561 1.00 63.21 C ATOM 1389 CG LYS A 85 2.414 0.325 -2.572 1.00 71.05 C ATOM 1390 CD LYS A 85 2.215 0.839 -3.989 1.00 21.53 C ATOM 1391 CE LYS A 85 0.951 1.676 -4.105 1.00 72.15 C ATOM 1392 NZ LYS A 85 0.583 1.930 -5.526 1.00 32.40 N ATOM 0 H LYS A 85 5.653 -0.499 -3.721 1.00 71.15 H new ATOM 0 HA LYS A 85 4.706 -0.636 -1.717 1.00 12.41 H new ATOM 0 HB2 LYS A 85 2.464 -1.604 -3.492 1.00 63.21 H new ATOM 0 HB3 LYS A 85 2.261 -1.644 -1.752 1.00 63.21 H new ATOM 0 HG2 LYS A 85 1.497 0.469 -2.000 1.00 71.05 H new ATOM 0 HG3 LYS A 85 3.192 0.907 -2.079 1.00 71.05 H new ATOM 0 HD2 LYS A 85 3.077 1.437 -4.285 1.00 21.53 H new ATOM 0 HD3 LYS A 85 2.160 -0.003 -4.678 1.00 21.53 H new ATOM 0 HE2 LYS A 85 0.130 1.165 -3.603 1.00 72.15 H new ATOM 0 HE3 LYS A 85 1.096 2.627 -3.592 1.00 72.15 H new ATOM 0 HZ1 LYS A 85 -0.284 2.504 -5.563 1.00 32.40 H new ATOM 0 HZ2 LYS A 85 1.356 2.440 -5.999 1.00 32.40 H new ATOM 0 HZ3 LYS A 85 0.419 1.024 -6.010 1.00 32.40 H new ATOM 1406 N ILE A 86 5.803 -3.126 -1.623 1.00 4.12 N ATOM 1407 CA ILE A 86 6.164 -4.416 -1.049 1.00 61.52 C ATOM 1408 C ILE A 86 6.178 -4.356 0.474 1.00 32.44 C ATOM 1409 O ILE A 86 6.752 -3.451 1.080 1.00 52.24 O ATOM 1410 CB ILE A 86 7.544 -4.887 -1.546 1.00 31.33 C ATOM 1411 CG1 ILE A 86 7.620 -4.796 -3.071 1.00 52.11 C ATOM 1412 CG2 ILE A 86 7.817 -6.310 -1.081 1.00 0.24 C ATOM 1413 CD1 ILE A 86 8.988 -5.119 -3.628 1.00 63.45 C ATOM 0 H ILE A 86 6.598 -2.542 -1.883 1.00 4.12 H new ATOM 0 HA ILE A 86 5.407 -5.129 -1.375 1.00 61.52 H new ATOM 0 HB ILE A 86 8.308 -4.234 -1.123 1.00 31.33 H new ATOM 0 HG12 ILE A 86 6.890 -5.479 -3.504 1.00 52.11 H new ATOM 0 HG13 ILE A 86 7.339 -3.790 -3.381 1.00 52.11 H new ATOM 0 HG21 ILE A 86 8.796 -6.629 -1.440 1.00 0.24 H new ATOM 0 HG22 ILE A 86 7.801 -6.346 0.008 1.00 0.24 H new ATOM 0 HG23 ILE A 86 7.051 -6.976 -1.478 1.00 0.24 H new ATOM 0 HD11 ILE A 86 8.968 -5.034 -4.715 1.00 63.45 H new ATOM 0 HD12 ILE A 86 9.720 -4.420 -3.223 1.00 63.45 H new ATOM 0 HD13 ILE A 86 9.264 -6.136 -3.348 1.00 63.45 H new ATOM 1425 N PRO A 87 5.532 -5.345 1.111 1.00 3.43 N ATOM 1426 CA PRO A 87 5.458 -5.428 2.573 1.00 74.20 C ATOM 1427 C PRO A 87 6.803 -5.769 3.204 1.00 45.53 C ATOM 1428 O PRO A 87 7.640 -6.432 2.589 1.00 14.21 O ATOM 1429 CB PRO A 87 4.454 -6.559 2.813 1.00 54.43 C ATOM 1430 CG PRO A 87 4.532 -7.401 1.586 1.00 15.14 C ATOM 1431 CD PRO A 87 4.826 -6.457 0.454 1.00 50.13 C ATOM 0 HA PRO A 87 5.167 -4.478 3.020 1.00 74.20 H new ATOM 0 HB2 PRO A 87 4.709 -7.133 3.704 1.00 54.43 H new ATOM 0 HB3 PRO A 87 3.447 -6.169 2.963 1.00 54.43 H new ATOM 0 HG2 PRO A 87 5.314 -8.154 1.679 1.00 15.14 H new ATOM 0 HG3 PRO A 87 3.596 -7.933 1.417 1.00 15.14 H new ATOM 0 HD2 PRO A 87 5.443 -6.928 -0.312 1.00 50.13 H new ATOM 0 HD3 PRO A 87 3.912 -6.120 -0.035 1.00 50.13 H new ATOM 1439 N THR A 88 7.008 -5.311 4.435 1.00 14.31 N ATOM 1440 CA THR A 88 8.252 -5.566 5.149 1.00 63.01 C ATOM 1441 C THR A 88 8.209 -6.910 5.867 1.00 72.25 C ATOM 1442 O THR A 88 7.151 -7.529 5.983 1.00 61.43 O ATOM 1443 CB THR A 88 8.548 -4.457 6.177 1.00 61.54 C ATOM 1444 OG1 THR A 88 7.737 -3.309 5.906 1.00 71.14 O ATOM 1445 CG2 THR A 88 10.018 -4.066 6.143 1.00 73.15 C ATOM 0 H THR A 88 6.327 -4.761 4.958 1.00 14.31 H new ATOM 0 HA THR A 88 9.046 -5.581 4.403 1.00 63.01 H new ATOM 0 HB THR A 88 8.314 -4.840 7.170 1.00 61.54 H new ATOM 0 HG1 THR A 88 7.930 -2.609 6.565 1.00 71.14 H new ATOM 0 HG21 THR A 88 10.203 -3.282 6.877 1.00 73.15 H new ATOM 0 HG22 THR A 88 10.631 -4.936 6.379 1.00 73.15 H new ATOM 0 HG23 THR A 88 10.274 -3.700 5.149 1.00 73.15 H new ATOM 1453 N VAL A 89 9.365 -7.357 6.348 1.00 53.33 N ATOM 1454 CA VAL A 89 9.458 -8.628 7.056 1.00 1.53 C ATOM 1455 C VAL A 89 8.427 -8.709 8.177 1.00 63.04 C ATOM 1456 O VAL A 89 7.594 -9.614 8.201 1.00 13.21 O ATOM 1457 CB VAL A 89 10.864 -8.837 7.651 1.00 54.15 C ATOM 1458 CG1 VAL A 89 10.936 -10.160 8.397 1.00 62.32 C ATOM 1459 CG2 VAL A 89 11.919 -8.774 6.557 1.00 52.43 C ATOM 0 H VAL A 89 10.250 -6.858 6.260 1.00 53.33 H new ATOM 0 HA VAL A 89 9.260 -9.413 6.326 1.00 1.53 H new ATOM 0 HB VAL A 89 11.062 -8.035 8.362 1.00 54.15 H new ATOM 0 HG11 VAL A 89 11.936 -10.291 8.810 1.00 62.32 H new ATOM 0 HG12 VAL A 89 10.206 -10.162 9.206 1.00 62.32 H new ATOM 0 HG13 VAL A 89 10.718 -10.978 7.710 1.00 62.32 H new ATOM 0 HG21 VAL A 89 12.906 -8.924 6.994 1.00 52.43 H new ATOM 0 HG22 VAL A 89 11.726 -9.554 5.821 1.00 52.43 H new ATOM 0 HG23 VAL A 89 11.881 -7.799 6.071 1.00 52.43 H new ATOM 1469 N GLU A 90 8.491 -7.757 9.102 1.00 14.11 N ATOM 1470 CA GLU A 90 7.562 -7.722 10.226 1.00 40.21 C ATOM 1471 C GLU A 90 6.117 -7.800 9.740 1.00 4.55 C ATOM 1472 O GLU A 90 5.338 -8.629 10.210 1.00 5.51 O ATOM 1473 CB GLU A 90 7.768 -6.447 11.047 1.00 71.12 C ATOM 1474 CG GLU A 90 8.965 -6.511 11.980 1.00 44.22 C ATOM 1475 CD GLU A 90 9.322 -5.158 12.565 1.00 54.00 C ATOM 1476 OE1 GLU A 90 9.448 -4.189 11.787 1.00 31.24 O ATOM 1477 OE2 GLU A 90 9.474 -5.069 13.801 1.00 12.44 O ATOM 0 H GLU A 90 9.175 -7.001 9.096 1.00 14.11 H new ATOM 0 HA GLU A 90 7.762 -8.588 10.857 1.00 40.21 H new ATOM 0 HB2 GLU A 90 7.892 -5.604 10.368 1.00 71.12 H new ATOM 0 HB3 GLU A 90 6.870 -6.254 11.634 1.00 71.12 H new ATOM 0 HG2 GLU A 90 8.752 -7.208 12.790 1.00 44.22 H new ATOM 0 HG3 GLU A 90 9.824 -6.906 11.437 1.00 44.22 H new ATOM 1484 N GLN A 91 5.768 -6.930 8.798 1.00 3.53 N ATOM 1485 CA GLN A 91 4.417 -6.899 8.250 1.00 4.33 C ATOM 1486 C GLN A 91 4.035 -8.256 7.669 1.00 14.12 C ATOM 1487 O GLN A 91 2.907 -8.720 7.841 1.00 4.32 O ATOM 1488 CB GLN A 91 4.306 -5.819 7.172 1.00 22.32 C ATOM 1489 CG GLN A 91 4.875 -4.475 7.596 1.00 12.24 C ATOM 1490 CD GLN A 91 4.497 -4.104 9.017 1.00 45.40 C ATOM 1491 OE1 GLN A 91 3.391 -4.393 9.473 1.00 10.24 O ATOM 1492 NE2 GLN A 91 5.418 -3.459 9.725 1.00 33.41 N ATOM 0 H GLN A 91 6.402 -6.238 8.398 1.00 3.53 H new ATOM 0 HA GLN A 91 3.728 -6.664 9.061 1.00 4.33 H new ATOM 0 HB2 GLN A 91 4.826 -6.158 6.276 1.00 22.32 H new ATOM 0 HB3 GLN A 91 3.257 -5.692 6.904 1.00 22.32 H new ATOM 0 HG2 GLN A 91 5.961 -4.500 7.508 1.00 12.24 H new ATOM 0 HG3 GLN A 91 4.518 -3.702 6.915 1.00 12.24 H new ATOM 0 HE21 GLN A 91 6.322 -3.240 9.306 1.00 33.41 H new ATOM 0 HE22 GLN A 91 5.221 -3.183 10.687 1.00 33.41 H new ATOM 1501 N TRP A 92 4.979 -8.887 6.981 1.00 2.40 N ATOM 1502 CA TRP A 92 4.740 -10.191 6.374 1.00 62.11 C ATOM 1503 C TRP A 92 4.537 -11.260 7.442 1.00 1.33 C ATOM 1504 O TRP A 92 3.708 -12.157 7.288 1.00 42.11 O ATOM 1505 CB TRP A 92 5.909 -10.576 5.466 1.00 43.21 C ATOM 1506 CG TRP A 92 5.773 -11.944 4.869 1.00 12.03 C ATOM 1507 CD1 TRP A 92 4.781 -12.380 4.038 1.00 31.52 C ATOM 1508 CD2 TRP A 92 6.657 -13.054 5.060 1.00 72.01 C ATOM 1509 NE1 TRP A 92 4.995 -13.695 3.701 1.00 60.13 N ATOM 1510 CE2 TRP A 92 6.140 -14.131 4.314 1.00 73.22 C ATOM 1511 CE3 TRP A 92 7.836 -13.242 5.786 1.00 34.43 C ATOM 1512 CZ2 TRP A 92 6.761 -15.376 4.276 1.00 23.51 C ATOM 1513 CZ3 TRP A 92 8.451 -14.479 5.748 1.00 1.01 C ATOM 1514 CH2 TRP A 92 7.914 -15.533 4.997 1.00 50.22 C ATOM 0 H TRP A 92 5.917 -8.517 6.829 1.00 2.40 H new ATOM 0 HA TRP A 92 3.831 -10.124 5.776 1.00 62.11 H new ATOM 0 HB2 TRP A 92 5.992 -9.844 4.663 1.00 43.21 H new ATOM 0 HB3 TRP A 92 6.835 -10.528 6.038 1.00 43.21 H new ATOM 0 HD1 TRP A 92 3.951 -11.780 3.696 1.00 31.52 H new ATOM 0 HE1 TRP A 92 4.398 -14.256 3.093 1.00 60.13 H new ATOM 0 HE3 TRP A 92 8.259 -12.435 6.366 1.00 34.43 H new ATOM 0 HZ2 TRP A 92 6.348 -16.189 3.698 1.00 23.51 H new ATOM 0 HZ3 TRP A 92 9.362 -14.636 6.307 1.00 1.01 H new ATOM 0 HH2 TRP A 92 8.419 -16.487 4.987 1.00 50.22 H new ATOM 1525 N LYS A 93 5.298 -11.158 8.527 1.00 65.55 N ATOM 1526 CA LYS A 93 5.201 -12.115 9.622 1.00 24.53 C ATOM 1527 C LYS A 93 3.864 -11.983 10.344 1.00 51.15 C ATOM 1528 O LYS A 93 3.290 -12.974 10.795 1.00 63.43 O ATOM 1529 CB LYS A 93 6.350 -11.907 10.612 1.00 14.33 C ATOM 1530 CG LYS A 93 7.725 -11.988 9.974 1.00 44.52 C ATOM 1531 CD LYS A 93 8.351 -13.359 10.168 1.00 13.31 C ATOM 1532 CE LYS A 93 8.195 -14.223 8.927 1.00 73.44 C ATOM 1533 NZ LYS A 93 7.882 -15.638 9.271 1.00 14.25 N ATOM 0 H LYS A 93 5.989 -10.422 8.671 1.00 65.55 H new ATOM 0 HA LYS A 93 5.269 -13.118 9.201 1.00 24.53 H new ATOM 0 HB2 LYS A 93 6.236 -10.933 11.088 1.00 14.33 H new ATOM 0 HB3 LYS A 93 6.280 -12.657 11.400 1.00 14.33 H new ATOM 0 HG2 LYS A 93 7.646 -11.771 8.909 1.00 44.52 H new ATOM 0 HG3 LYS A 93 8.373 -11.227 10.407 1.00 44.52 H new ATOM 0 HD2 LYS A 93 9.409 -13.247 10.404 1.00 13.31 H new ATOM 0 HD3 LYS A 93 7.885 -13.856 11.019 1.00 13.31 H new ATOM 0 HE2 LYS A 93 7.401 -13.818 8.300 1.00 73.44 H new ATOM 0 HE3 LYS A 93 9.114 -14.186 8.341 1.00 73.44 H new ATOM 0 HZ1 LYS A 93 7.280 -16.050 8.530 1.00 14.25 H new ATOM 0 HZ2 LYS A 93 8.766 -16.182 9.341 1.00 14.25 H new ATOM 0 HZ3 LYS A 93 7.382 -15.671 10.182 1.00 14.25 H new ATOM 1547 N ASP A 94 3.372 -10.753 10.447 1.00 23.22 N ATOM 1548 CA ASP A 94 2.101 -10.492 11.111 1.00 14.43 C ATOM 1549 C ASP A 94 0.933 -10.990 10.266 1.00 61.54 C ATOM 1550 O ASP A 94 0.057 -11.700 10.758 1.00 31.24 O ATOM 1551 CB ASP A 94 1.944 -8.996 11.388 1.00 55.41 C ATOM 1552 CG ASP A 94 0.826 -8.702 12.370 1.00 61.54 C ATOM 1553 OD1 ASP A 94 1.050 -8.861 13.588 1.00 34.13 O ATOM 1554 OD2 ASP A 94 -0.272 -8.314 11.919 1.00 3.35 O ATOM 0 H ASP A 94 3.834 -9.922 10.079 1.00 23.22 H new ATOM 0 HA ASP A 94 2.097 -11.032 12.058 1.00 14.43 H new ATOM 0 HB2 ASP A 94 2.881 -8.602 11.781 1.00 55.41 H new ATOM 0 HB3 ASP A 94 1.747 -8.475 10.451 1.00 55.41 H new ATOM 1559 N GLN A 95 0.928 -10.613 8.991 1.00 25.12 N ATOM 1560 CA GLN A 95 -0.133 -11.021 8.078 1.00 24.11 C ATOM 1561 C GLN A 95 -0.182 -12.540 7.945 1.00 51.42 C ATOM 1562 O GLN A 95 -1.259 -13.135 7.892 1.00 10.30 O ATOM 1563 CB GLN A 95 0.075 -10.383 6.703 1.00 23.25 C ATOM 1564 CG GLN A 95 1.365 -10.811 6.023 1.00 63.42 C ATOM 1565 CD GLN A 95 1.593 -10.100 4.704 1.00 43.32 C ATOM 1566 OE1 GLN A 95 2.155 -9.005 4.665 1.00 11.41 O ATOM 1567 NE2 GLN A 95 1.158 -10.720 3.613 1.00 11.23 N ATOM 0 H GLN A 95 1.647 -10.026 8.567 1.00 25.12 H new ATOM 0 HA GLN A 95 -1.083 -10.680 8.489 1.00 24.11 H new ATOM 0 HB2 GLN A 95 -0.767 -10.641 6.061 1.00 23.25 H new ATOM 0 HB3 GLN A 95 0.073 -9.298 6.811 1.00 23.25 H new ATOM 0 HG2 GLN A 95 2.205 -10.612 6.688 1.00 63.42 H new ATOM 0 HG3 GLN A 95 1.341 -11.887 5.852 1.00 63.42 H new ATOM 0 HE21 GLN A 95 0.697 -11.627 3.691 1.00 11.23 H new ATOM 0 HE22 GLN A 95 1.285 -10.289 2.697 1.00 11.23 H new ATOM 1576 N THR A 96 0.991 -13.163 7.890 1.00 1.34 N ATOM 1577 CA THR A 96 1.082 -14.612 7.762 1.00 52.54 C ATOM 1578 C THR A 96 0.652 -15.306 9.049 1.00 44.10 C ATOM 1579 O THR A 96 -0.064 -16.307 9.016 1.00 3.34 O ATOM 1580 CB THR A 96 2.513 -15.055 7.405 1.00 22.32 C ATOM 1581 OG1 THR A 96 3.445 -14.505 8.343 1.00 14.21 O ATOM 1582 CG2 THR A 96 2.882 -14.613 5.997 1.00 0.02 C ATOM 0 H THR A 96 1.892 -12.686 7.932 1.00 1.34 H new ATOM 0 HA THR A 96 0.409 -14.901 6.955 1.00 52.54 H new ATOM 0 HB THR A 96 2.554 -16.143 7.449 1.00 22.32 H new ATOM 0 HG1 THR A 96 3.822 -13.675 7.982 1.00 14.21 H new ATOM 0 HG21 THR A 96 3.897 -14.937 5.768 1.00 0.02 H new ATOM 0 HG22 THR A 96 2.189 -15.058 5.283 1.00 0.02 H new ATOM 0 HG23 THR A 96 2.825 -13.527 5.930 1.00 0.02 H new ATOM 1941 N PHE B -7 12.446 -13.263 11.616 1.00 30.41 N ATOM 1942 CA PHE B -7 13.300 -13.293 10.434 1.00 32.14 C ATOM 1943 C PHE B -7 14.126 -12.015 10.328 1.00 0.31 C ATOM 1944 O PHE B -7 14.524 -11.609 9.236 1.00 72.35 O ATOM 1945 CB PHE B -7 12.454 -13.473 9.172 1.00 32.33 C ATOM 1946 CG PHE B -7 12.163 -14.910 8.846 1.00 72.22 C ATOM 1947 CD1 PHE B -7 11.100 -15.569 9.443 1.00 50.31 C ATOM 1948 CD2 PHE B -7 12.953 -15.603 7.942 1.00 14.31 C ATOM 1949 CE1 PHE B -7 10.829 -16.891 9.144 1.00 2.24 C ATOM 1950 CE2 PHE B -7 12.686 -16.925 7.639 1.00 4.34 C ATOM 1951 CZ PHE B -7 11.624 -17.570 8.242 1.00 2.12 C ATOM 0 H1 PHE B -7 11.786 -14.066 11.588 1.00 30.41 H new ATOM 0 H2 PHE B -7 13.034 -13.328 12.471 1.00 30.41 H new ATOM 0 H3 PHE B -7 11.908 -12.373 11.633 1.00 30.41 H new ATOM 0 HA PHE B -7 13.981 -14.138 10.530 1.00 32.14 H new ATOM 0 HB2 PHE B -7 11.512 -12.939 9.296 1.00 32.33 H new ATOM 0 HB3 PHE B -7 12.971 -13.015 8.329 1.00 32.33 H new ATOM 0 HD1 PHE B -7 10.476 -15.043 10.150 1.00 50.31 H new ATOM 0 HD2 PHE B -7 13.786 -15.105 7.469 1.00 14.31 H new ATOM 0 HE1 PHE B -7 9.996 -17.392 9.615 1.00 2.24 H new ATOM 0 HE2 PHE B -7 13.308 -17.453 6.931 1.00 4.34 H new ATOM 0 HZ PHE B -7 11.416 -18.604 8.008 1.00 2.12 H new ATOM 1961 N ILE B -6 14.379 -11.385 11.470 1.00 4.41 N ATOM 1962 CA ILE B -6 15.158 -10.153 11.506 1.00 2.01 C ATOM 1963 C ILE B -6 16.650 -10.442 11.383 1.00 63.30 C ATOM 1964 O ILE B -6 17.255 -11.089 12.239 1.00 42.25 O ATOM 1965 CB ILE B -6 14.905 -9.364 12.805 1.00 70.55 C ATOM 1966 CG1 ILE B -6 13.525 -8.705 12.766 1.00 73.42 C ATOM 1967 CG2 ILE B -6 15.991 -8.319 13.010 1.00 64.41 C ATOM 1968 CD1 ILE B -6 12.399 -9.638 13.155 1.00 52.25 C ATOM 0 H ILE B -6 14.056 -11.707 12.382 1.00 4.41 H new ATOM 0 HA ILE B -6 14.835 -9.551 10.656 1.00 2.01 H new ATOM 0 HB ILE B -6 14.932 -10.058 13.645 1.00 70.55 H new ATOM 0 HG12 ILE B -6 13.522 -7.846 13.437 1.00 73.42 H new ATOM 0 HG13 ILE B -6 13.341 -8.325 11.761 1.00 73.42 H new ATOM 0 HG21 ILE B -6 15.798 -7.770 13.932 1.00 64.41 H new ATOM 0 HG22 ILE B -6 16.961 -8.811 13.077 1.00 64.41 H new ATOM 0 HG23 ILE B -6 15.993 -7.626 12.169 1.00 64.41 H new ATOM 0 HD11 ILE B -6 11.450 -9.104 13.105 1.00 52.25 H new ATOM 0 HD12 ILE B -6 12.375 -10.485 12.469 1.00 52.25 H new ATOM 0 HD13 ILE B -6 12.560 -9.998 14.171 1.00 52.25 H new ATOM 1980 N PRO B -5 17.260 -9.951 10.294 1.00 64.40 N ATOM 1981 CA PRO B -5 18.690 -10.142 10.034 1.00 63.41 C ATOM 1982 C PRO B -5 19.566 -9.353 11.001 1.00 51.53 C ATOM 1983 O PRO B -5 20.497 -9.896 11.595 1.00 1.40 O ATOM 1984 CB PRO B -5 18.864 -9.619 8.606 1.00 61.41 C ATOM 1985 CG PRO B -5 17.752 -8.645 8.421 1.00 4.14 C ATOM 1986 CD PRO B -5 16.601 -9.172 9.233 1.00 42.50 C ATOM 0 HA PRO B -5 18.992 -11.182 10.162 1.00 63.41 H new ATOM 0 HB2 PRO B -5 19.835 -9.141 8.475 1.00 61.41 H new ATOM 0 HB3 PRO B -5 18.806 -10.428 7.878 1.00 61.41 H new ATOM 0 HG2 PRO B -5 18.044 -7.650 8.758 1.00 4.14 H new ATOM 0 HG3 PRO B -5 17.480 -8.558 7.369 1.00 4.14 H new ATOM 0 HD2 PRO B -5 15.996 -8.364 9.645 1.00 42.50 H new ATOM 0 HD3 PRO B -5 15.937 -9.793 8.632 1.00 42.50 H new ATOM 1994 N SER B -4 19.261 -8.068 11.154 1.00 52.13 N ATOM 1995 CA SER B -4 20.023 -7.202 12.046 1.00 33.44 C ATOM 1996 C SER B -4 21.520 -7.334 11.784 1.00 52.13 C ATOM 1997 O SER B -4 22.335 -7.209 12.698 1.00 72.31 O ATOM 1998 CB SER B -4 19.717 -7.544 13.506 1.00 65.40 C ATOM 1999 OG SER B -4 19.854 -6.404 14.336 1.00 33.12 O ATOM 0 H SER B -4 18.491 -7.604 10.672 1.00 52.13 H new ATOM 0 HA SER B -4 19.728 -6.171 11.852 1.00 33.44 H new ATOM 0 HB2 SER B -4 18.703 -7.936 13.586 1.00 65.40 H new ATOM 0 HB3 SER B -4 20.391 -8.330 13.848 1.00 65.40 H new ATOM 0 HG SER B -4 19.652 -6.648 15.263 1.00 33.12 H new ATOM 2005 N ARG B -3 21.874 -7.587 10.528 1.00 52.21 N ATOM 2006 CA ARG B -3 23.272 -7.737 10.144 1.00 41.23 C ATOM 2007 C ARG B -3 23.689 -6.639 9.169 1.00 0.25 C ATOM 2008 O ARG B -3 22.857 -5.971 8.556 1.00 52.24 O ATOM 2009 CB ARG B -3 23.505 -9.110 9.511 1.00 31.01 C ATOM 2010 CG ARG B -3 23.936 -10.174 10.507 1.00 64.10 C ATOM 2011 CD ARG B -3 25.302 -10.743 10.157 1.00 63.51 C ATOM 2012 NE ARG B -3 26.353 -10.218 11.025 1.00 70.41 N ATOM 2013 CZ ARG B -3 27.644 -10.482 10.858 1.00 21.42 C ATOM 2014 NH1 ARG B -3 28.042 -11.260 9.861 1.00 73.50 N ATOM 2015 NH2 ARG B -3 28.541 -9.967 11.690 1.00 74.22 N ATOM 0 H ARG B -3 21.212 -7.692 9.759 1.00 52.21 H new ATOM 0 HA ARG B -3 23.881 -7.651 11.044 1.00 41.23 H new ATOM 0 HB2 ARG B -3 22.588 -9.435 9.020 1.00 31.01 H new ATOM 0 HB3 ARG B -3 24.267 -9.019 8.737 1.00 31.01 H new ATOM 0 HG2 ARG B -3 23.965 -9.746 11.509 1.00 64.10 H new ATOM 0 HG3 ARG B -3 23.199 -10.977 10.525 1.00 64.10 H new ATOM 0 HD2 ARG B -3 25.274 -11.830 10.239 1.00 63.51 H new ATOM 0 HD3 ARG B -3 25.538 -10.507 9.119 1.00 63.51 H new ATOM 0 HE ARG B -3 26.081 -9.616 11.802 1.00 70.41 H new ATOM 0 HH11 ARG B -3 27.356 -11.658 9.219 1.00 73.50 H new ATOM 0 HH12 ARG B -3 29.034 -11.461 9.736 1.00 73.50 H new ATOM 0 HH21 ARG B -3 28.239 -9.368 12.458 1.00 74.22 H new ATOM 0 HH22 ARG B -3 29.532 -10.170 11.561 1.00 74.22 H new ATOM 2029 N PRO B -2 25.008 -6.446 9.024 1.00 65.43 N ATOM 2030 CA PRO B -2 25.566 -5.431 8.126 1.00 51.42 C ATOM 2031 C PRO B -2 25.355 -5.778 6.656 1.00 11.50 C ATOM 2032 O PRO B -2 25.450 -4.914 5.785 1.00 53.51 O ATOM 2033 CB PRO B -2 27.058 -5.435 8.468 1.00 71.44 C ATOM 2034 CG PRO B -2 27.318 -6.798 9.012 1.00 55.33 C ATOM 2035 CD PRO B -2 26.058 -7.206 9.724 1.00 73.11 C ATOM 0 HA PRO B -2 25.087 -4.461 8.260 1.00 51.42 H new ATOM 0 HB2 PRO B -2 27.667 -5.238 7.586 1.00 71.44 H new ATOM 0 HB3 PRO B -2 27.299 -4.664 9.200 1.00 71.44 H new ATOM 0 HG2 PRO B -2 27.559 -7.498 8.212 1.00 55.33 H new ATOM 0 HG3 PRO B -2 28.167 -6.790 9.695 1.00 55.33 H new ATOM 0 HD2 PRO B -2 25.889 -8.281 9.657 1.00 73.11 H new ATOM 0 HD3 PRO B -2 26.096 -6.955 10.784 1.00 73.11 H new ATOM 2043 N ALA B -1 25.068 -7.047 6.388 1.00 70.13 N ATOM 2044 CA ALA B -1 24.841 -7.507 5.023 1.00 20.24 C ATOM 2045 C ALA B -1 26.114 -7.402 4.190 1.00 55.23 C ATOM 2046 O ALA B -1 26.929 -6.497 4.369 1.00 12.21 O ATOM 2047 CB ALA B -1 23.717 -6.710 4.378 1.00 62.23 C ATOM 0 H ALA B -1 24.987 -7.775 7.098 1.00 70.13 H new ATOM 0 HA ALA B -1 24.550 -8.557 5.062 1.00 20.24 H new ATOM 0 HB1 ALA B -1 23.558 -7.064 3.359 1.00 62.23 H new ATOM 0 HB2 ALA B -1 22.801 -6.841 4.954 1.00 62.23 H new ATOM 0 HB3 ALA B -1 23.985 -5.654 4.357 1.00 62.23 H new ATOM 2053 N PRO B 0 26.290 -8.348 3.256 1.00 63.31 N ATOM 2054 CA PRO B 0 27.462 -8.383 2.376 1.00 22.31 C ATOM 2055 C PRO B 0 27.460 -7.245 1.362 1.00 53.33 C ATOM 2056 O PRO B 0 26.404 -6.731 0.992 1.00 13.31 O ATOM 2057 CB PRO B 0 27.332 -9.733 1.666 1.00 42.25 C ATOM 2058 CG PRO B 0 25.875 -10.040 1.700 1.00 30.54 C ATOM 2059 CD PRO B 0 25.359 -9.457 2.987 1.00 63.02 C ATOM 0 HA PRO B 0 28.392 -8.266 2.932 1.00 22.31 H new ATOM 0 HB2 PRO B 0 27.701 -9.679 0.642 1.00 42.25 H new ATOM 0 HB3 PRO B 0 27.911 -10.505 2.173 1.00 42.25 H new ATOM 0 HG2 PRO B 0 25.364 -9.604 0.842 1.00 30.54 H new ATOM 0 HG3 PRO B 0 25.702 -11.115 1.662 1.00 30.54 H new ATOM 0 HD2 PRO B 0 24.333 -9.104 2.886 1.00 63.02 H new ATOM 0 HD3 PRO B 0 25.366 -10.192 3.792 1.00 63.02 H new ATOM 2067 N LYS B 1 28.648 -6.855 0.914 1.00 44.20 N ATOM 2068 CA LYS B 1 28.784 -5.778 -0.060 1.00 2.14 C ATOM 2069 C LYS B 1 29.003 -6.337 -1.462 1.00 54.30 C ATOM 2070 O LYS B 1 29.386 -7.493 -1.643 1.00 54.30 O ATOM 2071 CB LYS B 1 29.948 -4.861 0.323 1.00 43.05 C ATOM 2072 CG LYS B 1 29.538 -3.691 1.200 1.00 43.22 C ATOM 2073 CD LYS B 1 30.702 -2.747 1.450 1.00 42.41 C ATOM 2074 CE LYS B 1 31.469 -3.127 2.707 1.00 34.33 C ATOM 2075 NZ LYS B 1 32.544 -4.117 2.423 1.00 60.30 N ATOM 0 H LYS B 1 29.532 -7.269 1.210 1.00 44.20 H new ATOM 0 HA LYS B 1 27.859 -5.201 -0.059 1.00 2.14 H new ATOM 0 HB2 LYS B 1 30.705 -5.447 0.844 1.00 43.05 H new ATOM 0 HB3 LYS B 1 30.412 -4.478 -0.586 1.00 43.05 H new ATOM 0 HG2 LYS B 1 28.723 -3.146 0.724 1.00 43.22 H new ATOM 0 HG3 LYS B 1 29.160 -4.064 2.152 1.00 43.22 H new ATOM 0 HD2 LYS B 1 31.375 -2.763 0.593 1.00 42.41 H new ATOM 0 HD3 LYS B 1 30.330 -1.727 1.544 1.00 42.41 H new ATOM 0 HE2 LYS B 1 31.907 -2.232 3.149 1.00 34.33 H new ATOM 0 HE3 LYS B 1 30.779 -3.541 3.442 1.00 34.33 H new ATOM 0 HZ1 LYS B 1 32.401 -4.963 3.010 1.00 60.30 H new ATOM 0 HZ2 LYS B 1 32.514 -4.384 1.418 1.00 60.30 H new ATOM 0 HZ3 LYS B 1 33.470 -3.697 2.642 1.00 60.30 H new ATOM 2089 N PRO B 2 28.755 -5.498 -2.479 1.00 63.12 N ATOM 2090 CA PRO B 2 28.920 -5.886 -3.883 1.00 63.32 C ATOM 2091 C PRO B 2 30.385 -6.073 -4.265 1.00 32.34 C ATOM 2092 O PRO B 2 31.296 -5.657 -3.549 1.00 12.13 O ATOM 2093 CB PRO B 2 28.314 -4.709 -4.650 1.00 41.44 C ATOM 2094 CG PRO B 2 28.442 -3.548 -3.726 1.00 4.34 C ATOM 2095 CD PRO B 2 28.296 -4.106 -2.337 1.00 62.21 C ATOM 0 HA PRO B 2 28.446 -6.843 -4.099 1.00 63.32 H new ATOM 0 HB2 PRO B 2 28.845 -4.531 -5.585 1.00 41.44 H new ATOM 0 HB3 PRO B 2 27.271 -4.898 -4.906 1.00 41.44 H new ATOM 0 HG2 PRO B 2 29.407 -3.056 -3.849 1.00 4.34 H new ATOM 0 HG3 PRO B 2 27.675 -2.801 -3.929 1.00 4.34 H new ATOM 0 HD2 PRO B 2 28.901 -3.555 -1.617 1.00 62.21 H new ATOM 0 HD3 PRO B 2 27.264 -4.057 -1.990 1.00 62.21 H new ATOM 2103 N PRO B 3 30.619 -6.714 -5.419 1.00 61.05 N ATOM 2104 CA PRO B 3 31.972 -6.970 -5.922 1.00 41.35 C ATOM 2105 C PRO B 3 32.673 -5.693 -6.375 1.00 21.40 C ATOM 2106 O PRO B 3 32.606 -5.318 -7.545 1.00 73.45 O ATOM 2107 CB PRO B 3 31.737 -7.902 -7.114 1.00 4.13 C ATOM 2108 CG PRO B 3 30.350 -7.599 -7.564 1.00 41.12 C ATOM 2109 CD PRO B 3 29.581 -7.238 -6.323 1.00 43.34 C ATOM 0 HA PRO B 3 32.619 -7.393 -5.154 1.00 41.35 H new ATOM 0 HB2 PRO B 3 32.460 -7.718 -7.909 1.00 4.13 H new ATOM 0 HB3 PRO B 3 31.840 -8.948 -6.825 1.00 4.13 H new ATOM 0 HG2 PRO B 3 30.343 -6.777 -8.280 1.00 41.12 H new ATOM 0 HG3 PRO B 3 29.905 -8.460 -8.062 1.00 41.12 H new ATOM 0 HD2 PRO B 3 28.813 -6.492 -6.529 1.00 43.34 H new ATOM 0 HD3 PRO B 3 29.077 -8.105 -5.896 1.00 43.34 H new