USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=23 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 125:sc= 0.99 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 31:sc= -0.157 USER MOD Single : A 25 ASN : amide:sc= -0.321 K(o=-0.32,f=-2.7!) USER MOD Single : A 27 SER OG : rot 63:sc= 0.506 USER MOD Single : A 29 CYS SG : rot 73:sc= 0.0858 USER MOD Single : A 31 HIS : no HD1:sc= -3.32 K(o=-3.3,f=-4.3!) USER MOD Single : A 32 TYR OH : rot 180:sc= -4.26! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -114:sc= 0.737 (180deg=-0.398) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0445 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 146:sc= -3.45! (180deg=-5.23!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 97:sc= 1.82 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 1.37 USER MOD Single : A 72 TYR OH : rot 180:sc= -0.726 USER MOD Single : A 76 GLN : amide:sc= -0.55 X(o=-0.55,f=-0.59) USER MOD Single : A 78 MET CE :methyl -163:sc= -2.12 (180deg=-2.43) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -125:sc= 0.057 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 91 GLN : amide:sc= -0.0418 X(o=-0.042,f=-0.22) USER MOD Single : A 93 LYS NZ :NH3+ -171:sc= -0.0321 (180deg=-0.121) USER MOD Single : A 95 GLN : amide:sc= -1.81 K(o=-1.8,f=-4.3!) USER MOD Single : A 96 THR OG1 : rot -89:sc= 1.33 USER MOD Single : B 1 LYS NZ :NH3+ -162:sc=-0.00633 (180deg=-0.15) USER MOD Single : B -4 SER OG : rot -22:sc= 1.02 USER MOD Single : B -7 PHE N :NH3+ -170:sc=-0.00248 (180deg=-0.274) USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 2 6.936 -3.699 -10.553 1.00 10.31 N ATOM 43 CA LEU A 2 8.361 -3.600 -10.850 1.00 53.42 C ATOM 44 C LEU A 2 8.967 -4.981 -11.076 1.00 42.23 C ATOM 45 O LEU A 2 8.444 -5.986 -10.596 1.00 74.42 O ATOM 46 CB LEU A 2 9.092 -2.890 -9.709 1.00 53.44 C ATOM 47 CG LEU A 2 9.641 -3.789 -8.601 1.00 75.13 C ATOM 48 CD1 LEU A 2 11.101 -4.126 -8.861 1.00 54.31 C ATOM 49 CD2 LEU A 2 9.479 -3.122 -7.243 1.00 54.33 C ATOM 0 HA LEU A 2 8.477 -3.019 -11.765 1.00 53.42 H new ATOM 0 HB2 LEU A 2 9.921 -2.322 -10.133 1.00 53.44 H new ATOM 0 HB3 LEU A 2 8.409 -2.169 -9.259 1.00 53.44 H new ATOM 0 HG LEU A 2 9.070 -4.718 -8.597 1.00 75.13 H new ATOM 0 HD11 LEU A 2 11.474 -4.767 -8.062 1.00 54.31 H new ATOM 0 HD12 LEU A 2 11.190 -4.646 -9.815 1.00 54.31 H new ATOM 0 HD13 LEU A 2 11.686 -3.207 -8.893 1.00 54.31 H new ATOM 0 HD21 LEU A 2 9.875 -3.776 -6.467 1.00 54.33 H new ATOM 0 HD22 LEU A 2 10.023 -2.178 -7.234 1.00 54.33 H new ATOM 0 HD23 LEU A 2 8.422 -2.933 -7.054 1.00 54.33 H new ATOM 61 N PHE A 3 10.075 -5.022 -11.809 1.00 23.13 N ATOM 62 CA PHE A 3 10.754 -6.280 -12.098 1.00 3.15 C ATOM 63 C PHE A 3 12.243 -6.180 -11.779 1.00 43.55 C ATOM 64 O PHE A 3 12.793 -5.084 -11.669 1.00 71.01 O ATOM 65 CB PHE A 3 10.560 -6.664 -13.566 1.00 13.41 C ATOM 66 CG PHE A 3 9.165 -7.120 -13.886 1.00 61.13 C ATOM 67 CD1 PHE A 3 8.133 -6.204 -14.009 1.00 41.13 C ATOM 68 CD2 PHE A 3 8.886 -8.466 -14.064 1.00 41.40 C ATOM 69 CE1 PHE A 3 6.849 -6.621 -14.304 1.00 54.55 C ATOM 70 CE2 PHE A 3 7.604 -8.888 -14.360 1.00 32.12 C ATOM 71 CZ PHE A 3 6.584 -7.965 -14.479 1.00 14.41 C ATOM 0 H PHE A 3 10.522 -4.199 -12.214 1.00 23.13 H new ATOM 0 HA PHE A 3 10.316 -7.053 -11.467 1.00 3.15 H new ATOM 0 HB2 PHE A 3 10.807 -5.807 -14.193 1.00 13.41 H new ATOM 0 HB3 PHE A 3 11.261 -7.459 -13.821 1.00 13.41 H new ATOM 0 HD1 PHE A 3 8.334 -5.152 -13.873 1.00 41.13 H new ATOM 0 HD2 PHE A 3 9.679 -9.193 -13.970 1.00 41.40 H new ATOM 0 HE1 PHE A 3 6.054 -5.897 -14.398 1.00 54.55 H new ATOM 0 HE2 PHE A 3 7.400 -9.939 -14.498 1.00 32.12 H new ATOM 0 HZ PHE A 3 5.581 -8.293 -14.708 1.00 14.41 H new ATOM 81 N ALA A 4 12.890 -7.331 -11.633 1.00 31.41 N ATOM 82 CA ALA A 4 14.315 -7.374 -11.329 1.00 72.30 C ATOM 83 C ALA A 4 15.025 -8.427 -12.174 1.00 12.41 C ATOM 84 O ALA A 4 14.390 -9.325 -12.727 1.00 42.11 O ATOM 85 CB ALA A 4 14.531 -7.650 -9.848 1.00 54.23 C ATOM 0 H ALA A 4 12.450 -8.247 -11.720 1.00 31.41 H new ATOM 0 HA ALA A 4 14.743 -6.401 -11.572 1.00 72.30 H new ATOM 0 HB1 ALA A 4 15.600 -7.679 -9.635 1.00 54.23 H new ATOM 0 HB2 ALA A 4 14.065 -6.860 -9.259 1.00 54.23 H new ATOM 0 HB3 ALA A 4 14.083 -8.609 -9.587 1.00 54.23 H new ATOM 91 N VAL A 5 16.345 -8.309 -12.270 1.00 64.31 N ATOM 92 CA VAL A 5 17.142 -9.251 -13.048 1.00 20.15 C ATOM 93 C VAL A 5 18.332 -9.760 -12.242 1.00 43.12 C ATOM 94 O VAL A 5 19.104 -8.975 -11.690 1.00 23.31 O ATOM 95 CB VAL A 5 17.654 -8.610 -14.351 1.00 63.41 C ATOM 96 CG1 VAL A 5 18.524 -7.401 -14.046 1.00 4.32 C ATOM 97 CG2 VAL A 5 18.418 -9.631 -15.181 1.00 41.14 C ATOM 0 H VAL A 5 16.886 -7.571 -11.819 1.00 64.31 H new ATOM 0 HA VAL A 5 16.490 -10.089 -13.296 1.00 20.15 H new ATOM 0 HB VAL A 5 16.795 -8.272 -14.931 1.00 63.41 H new ATOM 0 HG11 VAL A 5 18.876 -6.962 -14.979 1.00 4.32 H new ATOM 0 HG12 VAL A 5 17.941 -6.663 -13.495 1.00 4.32 H new ATOM 0 HG13 VAL A 5 19.379 -7.710 -13.445 1.00 4.32 H new ATOM 0 HG21 VAL A 5 18.773 -9.162 -16.099 1.00 41.14 H new ATOM 0 HG22 VAL A 5 19.269 -10.001 -14.610 1.00 41.14 H new ATOM 0 HG23 VAL A 5 17.760 -10.463 -15.430 1.00 41.14 H new ATOM 107 N THR A 6 18.476 -11.080 -12.179 1.00 64.12 N ATOM 108 CA THR A 6 19.572 -11.695 -11.441 1.00 43.10 C ATOM 109 C THR A 6 20.891 -11.548 -12.191 1.00 3.52 C ATOM 110 O THR A 6 20.941 -11.686 -13.414 1.00 11.22 O ATOM 111 CB THR A 6 19.306 -13.190 -11.182 1.00 43.12 C ATOM 112 OG1 THR A 6 18.432 -13.713 -12.188 1.00 73.20 O ATOM 113 CG2 THR A 6 18.689 -13.400 -9.808 1.00 5.24 C ATOM 0 H THR A 6 17.847 -11.744 -12.631 1.00 64.12 H new ATOM 0 HA THR A 6 19.640 -11.175 -10.486 1.00 43.10 H new ATOM 0 HB THR A 6 20.259 -13.718 -11.219 1.00 43.12 H new ATOM 0 HG1 THR A 6 18.852 -14.489 -12.615 1.00 73.20 H new ATOM 0 HG21 THR A 6 18.510 -14.463 -9.648 1.00 5.24 H new ATOM 0 HG22 THR A 6 19.370 -13.027 -9.043 1.00 5.24 H new ATOM 0 HG23 THR A 6 17.744 -12.860 -9.747 1.00 5.24 H new ATOM 121 N LEU A 7 21.959 -11.267 -11.451 1.00 55.13 N ATOM 122 CA LEU A 7 23.280 -11.101 -12.047 1.00 31.42 C ATOM 123 C LEU A 7 24.231 -12.196 -11.574 1.00 62.11 C ATOM 124 O LEU A 7 25.292 -12.407 -12.162 1.00 70.44 O ATOM 125 CB LEU A 7 23.851 -9.727 -11.695 1.00 1.31 C ATOM 126 CG LEU A 7 22.885 -8.548 -11.815 1.00 12.30 C ATOM 127 CD1 LEU A 7 23.415 -7.343 -11.053 1.00 63.02 C ATOM 128 CD2 LEU A 7 22.652 -8.196 -13.277 1.00 75.00 C ATOM 0 H LEU A 7 21.936 -11.150 -10.438 1.00 55.13 H new ATOM 0 HA LEU A 7 23.176 -11.177 -13.129 1.00 31.42 H new ATOM 0 HB2 LEU A 7 24.224 -9.762 -10.672 1.00 1.31 H new ATOM 0 HB3 LEU A 7 24.708 -9.536 -12.341 1.00 1.31 H new ATOM 0 HG LEU A 7 21.931 -8.839 -11.375 1.00 12.30 H new ATOM 0 HD11 LEU A 7 22.714 -6.514 -11.150 1.00 63.02 H new ATOM 0 HD12 LEU A 7 23.529 -7.600 -10.000 1.00 63.02 H new ATOM 0 HD13 LEU A 7 24.382 -7.050 -11.462 1.00 63.02 H new ATOM 0 HD21 LEU A 7 21.962 -7.355 -13.343 1.00 75.00 H new ATOM 0 HD22 LEU A 7 23.600 -7.925 -13.742 1.00 75.00 H new ATOM 0 HD23 LEU A 7 22.227 -9.056 -13.795 1.00 75.00 H new ATOM 140 N TYR A 8 23.844 -12.890 -10.510 1.00 74.31 N ATOM 141 CA TYR A 8 24.662 -13.964 -9.958 1.00 52.52 C ATOM 142 C TYR A 8 23.810 -15.188 -9.638 1.00 64.44 C ATOM 143 O TYR A 8 22.597 -15.085 -9.463 1.00 10.15 O ATOM 144 CB TYR A 8 25.383 -13.486 -8.696 1.00 72.24 C ATOM 145 CG TYR A 8 26.329 -12.333 -8.940 1.00 4.54 C ATOM 146 CD1 TYR A 8 25.849 -11.042 -9.124 1.00 42.34 C ATOM 147 CD2 TYR A 8 27.703 -12.533 -8.986 1.00 24.13 C ATOM 148 CE1 TYR A 8 26.710 -9.985 -9.348 1.00 1.53 C ATOM 149 CE2 TYR A 8 28.572 -11.482 -9.207 1.00 13.22 C ATOM 150 CZ TYR A 8 28.070 -10.210 -9.387 1.00 44.55 C ATOM 151 OH TYR A 8 28.932 -9.160 -9.609 1.00 40.25 O ATOM 0 H TYR A 8 22.969 -12.728 -10.012 1.00 74.31 H new ATOM 0 HA TYR A 8 25.402 -14.245 -10.707 1.00 52.52 H new ATOM 0 HB2 TYR A 8 24.641 -13.186 -7.955 1.00 72.24 H new ATOM 0 HB3 TYR A 8 25.941 -14.319 -8.269 1.00 72.24 H new ATOM 0 HD1 TYR A 8 24.785 -10.862 -9.091 1.00 42.34 H new ATOM 0 HD2 TYR A 8 28.099 -13.528 -8.846 1.00 24.13 H new ATOM 0 HE1 TYR A 8 26.320 -8.988 -9.492 1.00 1.53 H new ATOM 0 HE2 TYR A 8 29.638 -11.655 -9.239 1.00 13.22 H new ATOM 0 HH TYR A 8 29.855 -9.488 -9.605 1.00 40.25 H new ATOM 161 N GLU A 9 24.457 -16.348 -9.564 1.00 40.44 N ATOM 162 CA GLU A 9 23.760 -17.593 -9.266 1.00 14.11 C ATOM 163 C GLU A 9 23.597 -17.778 -7.760 1.00 23.11 C ATOM 164 O GLU A 9 24.553 -18.106 -7.057 1.00 24.11 O ATOM 165 CB GLU A 9 24.518 -18.783 -9.858 1.00 53.44 C ATOM 166 CG GLU A 9 23.853 -20.122 -9.591 1.00 74.40 C ATOM 167 CD GLU A 9 23.187 -20.700 -10.825 1.00 11.20 C ATOM 168 OE1 GLU A 9 23.764 -20.571 -11.925 1.00 23.11 O ATOM 169 OE2 GLU A 9 22.089 -21.280 -10.691 1.00 42.22 O ATOM 0 H GLU A 9 25.462 -16.450 -9.706 1.00 40.44 H new ATOM 0 HA GLU A 9 22.769 -17.542 -9.718 1.00 14.11 H new ATOM 0 HB2 GLU A 9 24.614 -18.643 -10.935 1.00 53.44 H new ATOM 0 HB3 GLU A 9 25.528 -18.800 -9.448 1.00 53.44 H new ATOM 0 HG2 GLU A 9 24.598 -20.826 -9.222 1.00 74.40 H new ATOM 0 HG3 GLU A 9 23.109 -20.003 -8.803 1.00 74.40 H new ATOM 176 N PHE A 10 22.380 -17.565 -7.271 1.00 40.03 N ATOM 177 CA PHE A 10 22.092 -17.707 -5.849 1.00 14.42 C ATOM 178 C PHE A 10 21.703 -19.143 -5.513 1.00 71.41 C ATOM 179 O PHE A 10 20.703 -19.661 -6.011 1.00 71.11 O ATOM 180 CB PHE A 10 20.968 -16.753 -5.437 1.00 42.12 C ATOM 181 CG PHE A 10 20.795 -16.638 -3.950 1.00 14.43 C ATOM 182 CD1 PHE A 10 21.841 -16.211 -3.148 1.00 0.11 C ATOM 183 CD2 PHE A 10 19.585 -16.955 -3.353 1.00 61.33 C ATOM 184 CE1 PHE A 10 21.684 -16.105 -1.779 1.00 1.21 C ATOM 185 CE2 PHE A 10 19.422 -16.851 -1.985 1.00 1.33 C ATOM 186 CZ PHE A 10 20.473 -16.424 -1.197 1.00 11.13 C ATOM 0 H PHE A 10 21.577 -17.293 -7.839 1.00 40.03 H new ATOM 0 HA PHE A 10 22.996 -17.455 -5.294 1.00 14.42 H new ATOM 0 HB2 PHE A 10 21.172 -15.765 -5.849 1.00 42.12 H new ATOM 0 HB3 PHE A 10 20.032 -17.095 -5.878 1.00 42.12 H new ATOM 0 HD1 PHE A 10 22.790 -15.958 -3.598 1.00 0.11 H new ATOM 0 HD2 PHE A 10 18.759 -17.287 -3.965 1.00 61.33 H new ATOM 0 HE1 PHE A 10 22.508 -15.773 -1.165 1.00 1.21 H new ATOM 0 HE2 PHE A 10 18.474 -17.103 -1.532 1.00 1.33 H new ATOM 0 HZ PHE A 10 20.348 -16.340 -0.128 1.00 11.13 H new ATOM 196 N LYS A 11 22.501 -19.783 -4.665 1.00 61.12 N ATOM 197 CA LYS A 11 22.243 -21.160 -4.261 1.00 15.13 C ATOM 198 C LYS A 11 21.432 -21.204 -2.969 1.00 71.53 C ATOM 199 O LYS A 11 21.915 -20.811 -1.908 1.00 43.13 O ATOM 200 CB LYS A 11 23.561 -21.915 -4.074 1.00 53.42 C ATOM 201 CG LYS A 11 24.296 -22.186 -5.376 1.00 34.05 C ATOM 202 CD LYS A 11 25.802 -22.163 -5.180 1.00 43.34 C ATOM 203 CE LYS A 11 26.503 -23.120 -6.133 1.00 55.51 C ATOM 204 NZ LYS A 11 27.915 -23.366 -5.733 1.00 25.15 N ATOM 0 H LYS A 11 23.333 -19.369 -4.244 1.00 61.12 H new ATOM 0 HA LYS A 11 21.665 -21.642 -5.050 1.00 15.13 H new ATOM 0 HB2 LYS A 11 24.209 -21.339 -3.413 1.00 53.42 H new ATOM 0 HB3 LYS A 11 23.359 -22.863 -3.576 1.00 53.42 H new ATOM 0 HG2 LYS A 11 23.994 -23.156 -5.770 1.00 34.05 H new ATOM 0 HG3 LYS A 11 24.013 -21.439 -6.117 1.00 34.05 H new ATOM 0 HD2 LYS A 11 26.175 -21.151 -5.339 1.00 43.34 H new ATOM 0 HD3 LYS A 11 26.040 -22.433 -4.151 1.00 43.34 H new ATOM 0 HE2 LYS A 11 25.963 -24.066 -6.159 1.00 55.51 H new ATOM 0 HE3 LYS A 11 26.478 -22.710 -7.143 1.00 55.51 H new ATOM 0 HZ1 LYS A 11 28.357 -24.023 -6.407 1.00 25.15 H new ATOM 0 HZ2 LYS A 11 28.437 -22.467 -5.732 1.00 25.15 H new ATOM 0 HZ3 LYS A 11 27.938 -23.781 -4.780 1.00 25.15 H new ATOM 218 N ALA A 12 20.198 -21.687 -3.067 1.00 73.51 N ATOM 219 CA ALA A 12 19.322 -21.787 -1.906 1.00 50.31 C ATOM 220 C ALA A 12 19.854 -22.805 -0.903 1.00 14.41 C ATOM 221 O ALA A 12 20.612 -23.705 -1.262 1.00 14.03 O ATOM 222 CB ALA A 12 17.911 -22.157 -2.339 1.00 42.13 C ATOM 0 H ALA A 12 19.782 -22.015 -3.939 1.00 73.51 H new ATOM 0 HA ALA A 12 19.296 -20.813 -1.417 1.00 50.31 H new ATOM 0 HB1 ALA A 12 17.268 -22.228 -1.462 1.00 42.13 H new ATOM 0 HB2 ALA A 12 17.524 -21.391 -3.011 1.00 42.13 H new ATOM 0 HB3 ALA A 12 17.929 -23.117 -2.855 1.00 42.13 H new ATOM 228 N GLU A 13 19.451 -22.654 0.355 1.00 25.33 N ATOM 229 CA GLU A 13 19.890 -23.561 1.410 1.00 12.31 C ATOM 230 C GLU A 13 18.710 -24.341 1.982 1.00 73.10 C ATOM 231 O GLU A 13 18.868 -25.464 2.461 1.00 3.03 O ATOM 232 CB GLU A 13 20.588 -22.781 2.526 1.00 42.41 C ATOM 233 CG GLU A 13 19.832 -21.538 2.965 1.00 45.44 C ATOM 234 CD GLU A 13 20.588 -20.732 4.004 1.00 52.03 C ATOM 235 OE1 GLU A 13 21.073 -21.334 4.985 1.00 55.34 O ATOM 236 OE2 GLU A 13 20.694 -19.499 3.835 1.00 23.01 O ATOM 0 H GLU A 13 18.823 -21.914 0.668 1.00 25.33 H new ATOM 0 HA GLU A 13 20.595 -24.269 0.975 1.00 12.31 H new ATOM 0 HB2 GLU A 13 20.723 -23.437 3.386 1.00 42.41 H new ATOM 0 HB3 GLU A 13 21.583 -22.490 2.187 1.00 42.41 H new ATOM 0 HG2 GLU A 13 19.636 -20.910 2.096 1.00 45.44 H new ATOM 0 HG3 GLU A 13 18.864 -21.831 3.371 1.00 45.44 H new ATOM 243 N ARG A 14 17.527 -23.738 1.928 1.00 11.41 N ATOM 244 CA ARG A 14 16.320 -24.374 2.442 1.00 62.31 C ATOM 245 C ARG A 14 15.175 -24.255 1.441 1.00 35.41 C ATOM 246 O ARG A 14 15.305 -23.597 0.409 1.00 74.53 O ATOM 247 CB ARG A 14 15.914 -23.744 3.776 1.00 60.55 C ATOM 248 CG ARG A 14 16.978 -23.863 4.854 1.00 22.03 C ATOM 249 CD ARG A 14 16.818 -25.145 5.656 1.00 22.12 C ATOM 250 NE ARG A 14 15.708 -25.065 6.601 1.00 15.31 N ATOM 251 CZ ARG A 14 15.354 -26.060 7.406 1.00 31.40 C ATOM 252 NH1 ARG A 14 16.021 -27.206 7.381 1.00 34.21 N ATOM 253 NH2 ARG A 14 14.332 -25.911 8.239 1.00 54.03 N ATOM 0 H ARG A 14 17.379 -22.809 1.533 1.00 11.41 H new ATOM 0 HA ARG A 14 16.535 -25.431 2.598 1.00 62.31 H new ATOM 0 HB2 ARG A 14 15.687 -22.690 3.616 1.00 60.55 H new ATOM 0 HB3 ARG A 14 14.998 -24.218 4.128 1.00 60.55 H new ATOM 0 HG2 ARG A 14 17.966 -23.841 4.395 1.00 22.03 H new ATOM 0 HG3 ARG A 14 16.918 -23.004 5.523 1.00 22.03 H new ATOM 0 HD2 ARG A 14 16.655 -25.980 4.975 1.00 22.12 H new ATOM 0 HD3 ARG A 14 17.741 -25.351 6.198 1.00 22.12 H new ATOM 0 HE ARG A 14 15.175 -24.197 6.645 1.00 15.31 H new ATOM 0 HH11 ARG A 14 16.808 -27.324 6.743 1.00 34.21 H new ATOM 0 HH12 ARG A 14 15.747 -27.969 8.000 1.00 34.21 H new ATOM 0 HH21 ARG A 14 13.817 -25.031 8.262 1.00 54.03 H new ATOM 0 HH22 ARG A 14 14.062 -26.676 8.857 1.00 54.03 H new ATOM 267 N ASP A 15 14.054 -24.897 1.754 1.00 51.41 N ATOM 268 CA ASP A 15 12.885 -24.863 0.883 1.00 51.43 C ATOM 269 C ASP A 15 12.410 -23.429 0.666 1.00 62.10 C ATOM 270 O ASP A 15 12.038 -23.049 -0.444 1.00 73.33 O ATOM 271 CB ASP A 15 11.754 -25.703 1.478 1.00 1.00 C ATOM 272 CG ASP A 15 10.596 -25.880 0.516 1.00 61.23 C ATOM 273 OD1 ASP A 15 9.720 -24.992 0.472 1.00 11.35 O ATOM 274 OD2 ASP A 15 10.566 -26.908 -0.194 1.00 14.24 O ATOM 0 H ASP A 15 13.931 -25.447 2.604 1.00 51.41 H new ATOM 0 HA ASP A 15 13.170 -25.283 -0.082 1.00 51.43 H new ATOM 0 HB2 ASP A 15 12.142 -26.682 1.759 1.00 1.00 H new ATOM 0 HB3 ASP A 15 11.395 -25.228 2.391 1.00 1.00 H new ATOM 279 N ASP A 16 12.426 -22.639 1.733 1.00 14.44 N ATOM 280 CA ASP A 16 11.997 -21.247 1.660 1.00 13.33 C ATOM 281 C ASP A 16 12.858 -20.464 0.674 1.00 1.23 C ATOM 282 O ASP A 16 12.418 -19.462 0.111 1.00 71.31 O ATOM 283 CB ASP A 16 12.064 -20.597 3.043 1.00 12.22 C ATOM 284 CG ASP A 16 11.071 -21.202 4.016 1.00 22.12 C ATOM 285 OD1 ASP A 16 10.389 -22.177 3.638 1.00 63.23 O ATOM 286 OD2 ASP A 16 10.975 -20.700 5.156 1.00 65.21 O ATOM 0 H ASP A 16 12.731 -22.938 2.659 1.00 14.44 H new ATOM 0 HA ASP A 16 10.966 -21.229 1.308 1.00 13.33 H new ATOM 0 HB2 ASP A 16 13.072 -20.705 3.443 1.00 12.22 H new ATOM 0 HB3 ASP A 16 11.871 -19.528 2.949 1.00 12.22 H new ATOM 291 N GLU A 17 14.088 -20.927 0.472 1.00 35.44 N ATOM 292 CA GLU A 17 15.011 -20.269 -0.444 1.00 54.52 C ATOM 293 C GLU A 17 14.834 -20.794 -1.866 1.00 33.22 C ATOM 294 O GLU A 17 14.648 -21.993 -2.078 1.00 64.40 O ATOM 295 CB GLU A 17 16.456 -20.479 0.013 1.00 74.20 C ATOM 296 CG GLU A 17 16.709 -20.046 1.447 1.00 25.01 C ATOM 297 CD GLU A 17 16.209 -18.643 1.730 1.00 43.21 C ATOM 298 OE1 GLU A 17 15.015 -18.494 2.064 1.00 4.11 O ATOM 299 OE2 GLU A 17 17.013 -17.693 1.617 1.00 32.31 O ATOM 0 H GLU A 17 14.468 -21.755 0.931 1.00 35.44 H new ATOM 0 HA GLU A 17 14.788 -19.202 -0.439 1.00 54.52 H new ATOM 0 HB2 GLU A 17 16.711 -21.534 -0.090 1.00 74.20 H new ATOM 0 HB3 GLU A 17 17.122 -19.924 -0.648 1.00 74.20 H new ATOM 0 HG2 GLU A 17 16.220 -20.745 2.125 1.00 25.01 H new ATOM 0 HG3 GLU A 17 17.778 -20.095 1.654 1.00 25.01 H new ATOM 306 N LEU A 18 14.891 -19.889 -2.836 1.00 44.03 N ATOM 307 CA LEU A 18 14.737 -20.260 -4.239 1.00 2.13 C ATOM 308 C LEU A 18 16.016 -19.976 -5.021 1.00 14.11 C ATOM 309 O LEU A 18 16.502 -18.845 -5.046 1.00 33.14 O ATOM 310 CB LEU A 18 13.565 -19.500 -4.862 1.00 1.22 C ATOM 311 CG LEU A 18 12.999 -20.083 -6.157 1.00 31.52 C ATOM 312 CD1 LEU A 18 11.974 -21.165 -5.852 1.00 23.14 C ATOM 313 CD2 LEU A 18 12.381 -18.986 -7.011 1.00 34.22 C ATOM 0 H LEU A 18 15.043 -18.893 -2.678 1.00 44.03 H new ATOM 0 HA LEU A 18 14.534 -21.330 -4.286 1.00 2.13 H new ATOM 0 HB2 LEU A 18 12.761 -19.448 -4.128 1.00 1.22 H new ATOM 0 HB3 LEU A 18 13.885 -18.476 -5.057 1.00 1.22 H new ATOM 0 HG LEU A 18 13.818 -20.534 -6.718 1.00 31.52 H new ATOM 0 HD11 LEU A 18 11.582 -21.568 -6.786 1.00 23.14 H new ATOM 0 HD12 LEU A 18 12.447 -21.964 -5.282 1.00 23.14 H new ATOM 0 HD13 LEU A 18 11.157 -20.739 -5.270 1.00 23.14 H new ATOM 0 HD21 LEU A 18 11.983 -19.420 -7.929 1.00 34.22 H new ATOM 0 HD22 LEU A 18 11.574 -18.505 -6.458 1.00 34.22 H new ATOM 0 HD23 LEU A 18 13.142 -18.246 -7.259 1.00 34.22 H new ATOM 325 N ASP A 19 16.554 -21.009 -5.660 1.00 13.22 N ATOM 326 CA ASP A 19 17.774 -20.870 -6.446 1.00 51.02 C ATOM 327 C ASP A 19 17.495 -20.146 -7.759 1.00 53.25 C ATOM 328 O ASP A 19 16.425 -20.298 -8.349 1.00 71.02 O ATOM 329 CB ASP A 19 18.384 -22.244 -6.727 1.00 23.12 C ATOM 330 CG ASP A 19 19.480 -22.188 -7.773 1.00 4.03 C ATOM 331 OD1 ASP A 19 19.155 -22.242 -8.977 1.00 71.14 O ATOM 332 OD2 ASP A 19 20.664 -22.089 -7.387 1.00 33.24 O ATOM 0 H ASP A 19 16.164 -21.952 -5.649 1.00 13.22 H new ATOM 0 HA ASP A 19 18.483 -20.277 -5.869 1.00 51.02 H new ATOM 0 HB2 ASP A 19 18.789 -22.654 -5.802 1.00 23.12 H new ATOM 0 HB3 ASP A 19 17.601 -22.924 -7.062 1.00 23.12 H new ATOM 337 N VAL A 20 18.464 -19.356 -8.212 1.00 31.42 N ATOM 338 CA VAL A 20 18.323 -18.608 -9.455 1.00 72.33 C ATOM 339 C VAL A 20 19.665 -18.459 -10.162 1.00 61.44 C ATOM 340 O VAL A 20 20.721 -18.540 -9.535 1.00 42.20 O ATOM 341 CB VAL A 20 17.729 -17.209 -9.204 1.00 61.43 C ATOM 342 CG1 VAL A 20 18.748 -16.312 -8.518 1.00 34.23 C ATOM 343 CG2 VAL A 20 17.255 -16.590 -10.510 1.00 45.15 C ATOM 0 H VAL A 20 19.355 -19.218 -7.736 1.00 31.42 H new ATOM 0 HA VAL A 20 17.642 -19.175 -10.090 1.00 72.33 H new ATOM 0 HB VAL A 20 16.868 -17.311 -8.544 1.00 61.43 H new ATOM 0 HG11 VAL A 20 18.311 -15.328 -8.349 1.00 34.23 H new ATOM 0 HG12 VAL A 20 19.034 -16.751 -7.562 1.00 34.23 H new ATOM 0 HG13 VAL A 20 19.630 -16.213 -9.151 1.00 34.23 H new ATOM 0 HG21 VAL A 20 16.838 -15.602 -10.314 1.00 45.15 H new ATOM 0 HG22 VAL A 20 18.097 -16.499 -11.196 1.00 45.15 H new ATOM 0 HG23 VAL A 20 16.490 -17.225 -10.957 1.00 45.15 H new ATOM 353 N SER A 21 19.617 -18.241 -11.473 1.00 34.23 N ATOM 354 CA SER A 21 20.829 -18.084 -12.267 1.00 24.01 C ATOM 355 C SER A 21 20.943 -16.662 -12.809 1.00 23.50 C ATOM 356 O SER A 21 19.959 -15.932 -12.918 1.00 54.50 O ATOM 357 CB SER A 21 20.840 -19.085 -13.423 1.00 63.45 C ATOM 358 OG SER A 21 21.388 -20.328 -13.017 1.00 42.44 O ATOM 0 H SER A 21 18.751 -18.169 -12.007 1.00 34.23 H new ATOM 0 HA SER A 21 21.685 -18.278 -11.620 1.00 24.01 H new ATOM 0 HB2 SER A 21 19.824 -19.234 -13.789 1.00 63.45 H new ATOM 0 HB3 SER A 21 21.421 -18.681 -14.252 1.00 63.45 H new ATOM 0 HG SER A 21 21.190 -20.479 -12.069 1.00 42.44 H new ATOM 364 N PRO A 22 22.174 -16.260 -13.157 1.00 44.13 N ATOM 365 CA PRO A 22 22.448 -14.924 -13.694 1.00 51.35 C ATOM 366 C PRO A 22 21.883 -14.736 -15.098 1.00 61.54 C ATOM 367 O PRO A 22 22.173 -15.517 -16.004 1.00 45.10 O ATOM 368 CB PRO A 22 23.977 -14.858 -13.720 1.00 40.21 C ATOM 369 CG PRO A 22 24.416 -16.278 -13.814 1.00 32.40 C ATOM 370 CD PRO A 22 23.394 -17.078 -13.054 1.00 62.52 C ATOM 0 HA PRO A 22 21.984 -14.141 -13.094 1.00 51.35 H new ATOM 0 HB2 PRO A 22 24.334 -14.276 -14.570 1.00 40.21 H new ATOM 0 HB3 PRO A 22 24.368 -14.381 -12.821 1.00 40.21 H new ATOM 0 HG2 PRO A 22 24.471 -16.602 -14.853 1.00 32.40 H new ATOM 0 HG3 PRO A 22 25.410 -16.408 -13.387 1.00 32.40 H new ATOM 0 HD2 PRO A 22 23.253 -18.067 -13.490 1.00 62.52 H new ATOM 0 HD3 PRO A 22 23.691 -17.227 -12.016 1.00 62.52 H new ATOM 378 N GLY A 23 21.074 -13.695 -15.272 1.00 63.43 N ATOM 379 CA GLY A 23 20.482 -13.425 -16.569 1.00 50.31 C ATOM 380 C GLY A 23 18.992 -13.704 -16.596 1.00 4.01 C ATOM 381 O GLY A 23 18.317 -13.410 -17.582 1.00 25.11 O ATOM 0 H GLY A 23 20.818 -13.034 -14.538 1.00 63.43 H new ATOM 0 HA2 GLY A 23 20.658 -12.383 -16.835 1.00 50.31 H new ATOM 0 HA3 GLY A 23 20.977 -14.035 -17.325 1.00 50.31 H new ATOM 385 N GLU A 24 18.479 -14.275 -15.510 1.00 41.44 N ATOM 386 CA GLU A 24 17.060 -14.596 -15.416 1.00 11.25 C ATOM 387 C GLU A 24 16.268 -13.408 -14.876 1.00 22.12 C ATOM 388 O GLU A 24 16.747 -12.668 -14.017 1.00 70.34 O ATOM 389 CB GLU A 24 16.849 -15.815 -14.515 1.00 42.20 C ATOM 390 CG GLU A 24 17.364 -17.112 -15.116 1.00 51.12 C ATOM 391 CD GLU A 24 16.616 -18.328 -14.606 1.00 24.51 C ATOM 392 OE1 GLU A 24 15.900 -18.203 -13.591 1.00 3.23 O ATOM 393 OE2 GLU A 24 16.748 -19.407 -15.223 1.00 12.53 O ATOM 0 H GLU A 24 19.024 -14.524 -14.685 1.00 41.44 H new ATOM 0 HA GLU A 24 16.699 -14.826 -16.418 1.00 11.25 H new ATOM 0 HB2 GLU A 24 17.349 -15.643 -13.562 1.00 42.20 H new ATOM 0 HB3 GLU A 24 15.785 -15.920 -14.303 1.00 42.20 H new ATOM 0 HG2 GLU A 24 17.277 -17.065 -16.201 1.00 51.12 H new ATOM 0 HG3 GLU A 24 18.424 -17.219 -14.886 1.00 51.12 H new ATOM 400 N ASN A 25 15.054 -13.233 -15.387 1.00 12.24 N ATOM 401 CA ASN A 25 14.195 -12.135 -14.957 1.00 43.33 C ATOM 402 C ASN A 25 13.205 -12.602 -13.895 1.00 53.12 C ATOM 403 O ASN A 25 12.400 -13.504 -14.134 1.00 45.24 O ATOM 404 CB ASN A 25 13.440 -11.552 -16.154 1.00 24.31 C ATOM 405 CG ASN A 25 14.372 -10.956 -17.191 1.00 65.32 C ATOM 406 OD1 ASN A 25 15.402 -11.542 -17.527 1.00 31.35 O ATOM 407 ND2 ASN A 25 14.015 -9.785 -17.704 1.00 53.04 N ATOM 0 H ASN A 25 14.643 -13.837 -16.099 1.00 12.24 H new ATOM 0 HA ASN A 25 14.827 -11.361 -14.522 1.00 43.33 H new ATOM 0 HB2 ASN A 25 12.839 -12.334 -16.617 1.00 24.31 H new ATOM 0 HB3 ASN A 25 12.750 -10.784 -15.806 1.00 24.31 H new ATOM 0 HD21 ASN A 25 14.603 -9.335 -18.406 1.00 53.04 H new ATOM 0 HD22 ASN A 25 13.153 -9.335 -17.396 1.00 53.04 H new ATOM 414 N LEU A 26 13.268 -11.982 -12.722 1.00 30.31 N ATOM 415 CA LEU A 26 12.376 -12.334 -11.622 1.00 42.51 C ATOM 416 C LEU A 26 11.396 -11.201 -11.333 1.00 72.22 C ATOM 417 O LEU A 26 11.653 -10.044 -11.665 1.00 23.12 O ATOM 418 CB LEU A 26 13.186 -12.655 -10.365 1.00 45.02 C ATOM 419 CG LEU A 26 14.149 -13.838 -10.472 1.00 21.35 C ATOM 420 CD1 LEU A 26 15.584 -13.350 -10.594 1.00 40.23 C ATOM 421 CD2 LEU A 26 13.998 -14.758 -9.269 1.00 20.41 C ATOM 0 H LEU A 26 13.927 -11.233 -12.508 1.00 30.31 H new ATOM 0 HA LEU A 26 11.808 -13.216 -11.916 1.00 42.51 H new ATOM 0 HB2 LEU A 26 13.759 -11.769 -10.090 1.00 45.02 H new ATOM 0 HB3 LEU A 26 12.491 -12.851 -9.549 1.00 45.02 H new ATOM 0 HG LEU A 26 13.902 -14.403 -11.371 1.00 21.35 H new ATOM 0 HD11 LEU A 26 16.254 -14.206 -10.669 1.00 40.23 H new ATOM 0 HD12 LEU A 26 15.684 -12.732 -11.486 1.00 40.23 H new ATOM 0 HD13 LEU A 26 15.844 -12.761 -9.714 1.00 40.23 H new ATOM 0 HD21 LEU A 26 14.691 -15.595 -9.361 1.00 20.41 H new ATOM 0 HD22 LEU A 26 14.218 -14.203 -8.357 1.00 20.41 H new ATOM 0 HD23 LEU A 26 12.977 -15.136 -9.226 1.00 20.41 H new ATOM 433 N SER A 27 10.272 -11.543 -10.711 1.00 52.24 N ATOM 434 CA SER A 27 9.252 -10.555 -10.379 1.00 32.22 C ATOM 435 C SER A 27 9.347 -10.149 -8.911 1.00 74.41 C ATOM 436 O SER A 27 9.086 -10.953 -8.016 1.00 22.44 O ATOM 437 CB SER A 27 7.858 -11.111 -10.677 1.00 53.50 C ATOM 438 OG SER A 27 7.071 -10.163 -11.378 1.00 72.32 O ATOM 0 H SER A 27 10.045 -12.496 -10.427 1.00 52.24 H new ATOM 0 HA SER A 27 9.422 -9.671 -10.994 1.00 32.22 H new ATOM 0 HB2 SER A 27 7.945 -12.023 -11.267 1.00 53.50 H new ATOM 0 HB3 SER A 27 7.363 -11.381 -9.744 1.00 53.50 H new ATOM 0 HG SER A 27 7.484 -9.973 -12.246 1.00 72.32 H new ATOM 444 N ILE A 28 9.721 -8.897 -8.673 1.00 42.03 N ATOM 445 CA ILE A 28 9.850 -8.383 -7.315 1.00 73.42 C ATOM 446 C ILE A 28 8.485 -8.243 -6.649 1.00 61.31 C ATOM 447 O ILE A 28 7.500 -7.887 -7.297 1.00 63.13 O ATOM 448 CB ILE A 28 10.561 -7.018 -7.295 1.00 0.52 C ATOM 449 CG1 ILE A 28 11.990 -7.154 -7.824 1.00 22.42 C ATOM 450 CG2 ILE A 28 10.565 -6.443 -5.886 1.00 34.30 C ATOM 451 CD1 ILE A 28 12.904 -7.931 -6.902 1.00 71.41 C ATOM 0 H ILE A 28 9.940 -8.219 -9.403 1.00 42.03 H new ATOM 0 HA ILE A 28 10.450 -9.104 -6.760 1.00 73.42 H new ATOM 0 HB ILE A 28 10.017 -6.333 -7.945 1.00 0.52 H new ATOM 0 HG12 ILE A 28 11.964 -7.646 -8.796 1.00 22.42 H new ATOM 0 HG13 ILE A 28 12.407 -6.159 -7.982 1.00 22.42 H new ATOM 0 HG21 ILE A 28 11.071 -5.478 -5.888 1.00 34.30 H new ATOM 0 HG22 ILE A 28 9.539 -6.314 -5.543 1.00 34.30 H new ATOM 0 HG23 ILE A 28 11.088 -7.125 -5.216 1.00 34.30 H new ATOM 0 HD11 ILE A 28 13.900 -7.988 -7.340 1.00 71.41 H new ATOM 0 HD12 ILE A 28 12.960 -7.428 -5.937 1.00 71.41 H new ATOM 0 HD13 ILE A 28 12.511 -8.938 -6.764 1.00 71.41 H new ATOM 463 N CYS A 29 8.435 -8.524 -5.352 1.00 32.02 N ATOM 464 CA CYS A 29 7.191 -8.428 -4.597 1.00 34.45 C ATOM 465 C CYS A 29 7.331 -7.445 -3.439 1.00 63.02 C ATOM 466 O CYS A 29 6.413 -6.680 -3.147 1.00 11.04 O ATOM 467 CB CYS A 29 6.785 -9.804 -4.066 1.00 74.22 C ATOM 468 SG CYS A 29 6.847 -11.120 -5.304 1.00 62.52 S ATOM 0 H CYS A 29 9.241 -8.820 -4.801 1.00 32.02 H new ATOM 0 HA CYS A 29 6.415 -8.062 -5.269 1.00 34.45 H new ATOM 0 HB2 CYS A 29 7.440 -10.069 -3.236 1.00 74.22 H new ATOM 0 HB3 CYS A 29 5.773 -9.743 -3.666 1.00 74.22 H new ATOM 0 HG CYS A 29 8.087 -11.411 -5.566 1.00 62.52 H new ATOM 474 N ALA A 30 8.487 -7.473 -2.783 1.00 51.44 N ATOM 475 CA ALA A 30 8.748 -6.584 -1.658 1.00 40.52 C ATOM 476 C ALA A 30 10.191 -6.711 -1.181 1.00 72.01 C ATOM 477 O ALA A 30 10.937 -7.571 -1.650 1.00 34.50 O ATOM 478 CB ALA A 30 7.785 -6.879 -0.518 1.00 10.32 C ATOM 0 H ALA A 30 9.257 -8.102 -3.012 1.00 51.44 H new ATOM 0 HA ALA A 30 8.593 -5.559 -1.994 1.00 40.52 H new ATOM 0 HB1 ALA A 30 7.991 -6.208 0.316 1.00 10.32 H new ATOM 0 HB2 ALA A 30 6.761 -6.730 -0.859 1.00 10.32 H new ATOM 0 HB3 ALA A 30 7.912 -7.911 -0.192 1.00 10.32 H new ATOM 484 N HIS A 31 10.579 -5.849 -0.247 1.00 14.23 N ATOM 485 CA HIS A 31 11.933 -5.865 0.294 1.00 63.41 C ATOM 486 C HIS A 31 11.913 -6.091 1.803 1.00 45.23 C ATOM 487 O HIS A 31 10.848 -6.162 2.416 1.00 41.13 O ATOM 488 CB HIS A 31 12.650 -4.554 -0.028 1.00 54.42 C ATOM 489 CG HIS A 31 12.195 -3.401 0.813 1.00 2.21 C ATOM 490 ND1 HIS A 31 13.034 -2.713 1.664 1.00 24.21 N ATOM 491 CD2 HIS A 31 10.981 -2.814 0.929 1.00 31.24 C ATOM 492 CE1 HIS A 31 12.356 -1.755 2.269 1.00 53.21 C ATOM 493 NE2 HIS A 31 11.107 -1.794 1.840 1.00 30.32 N ATOM 0 H HIS A 31 9.975 -5.130 0.151 1.00 14.23 H new ATOM 0 HA HIS A 31 12.473 -6.689 -0.172 1.00 63.41 H new ATOM 0 HB2 HIS A 31 13.722 -4.693 0.109 1.00 54.42 H new ATOM 0 HB3 HIS A 31 12.492 -4.311 -1.079 1.00 54.42 H new ATOM 0 HD2 HIS A 31 10.081 -3.095 0.403 1.00 31.24 H new ATOM 0 HE1 HIS A 31 12.755 -1.058 2.992 1.00 53.21 H new ATOM 0 HE2 HIS A 31 10.358 -1.168 2.137 1.00 30.32 H new ATOM 501 N TYR A 32 13.097 -6.203 2.395 1.00 63.13 N ATOM 502 CA TYR A 32 13.216 -6.424 3.831 1.00 13.31 C ATOM 503 C TYR A 32 14.460 -5.738 4.387 1.00 50.11 C ATOM 504 O TYR A 32 15.574 -6.246 4.255 1.00 53.55 O ATOM 505 CB TYR A 32 13.266 -7.922 4.136 1.00 44.23 C ATOM 506 CG TYR A 32 13.004 -8.254 5.587 1.00 13.12 C ATOM 507 CD1 TYR A 32 14.043 -8.306 6.508 1.00 61.44 C ATOM 508 CD2 TYR A 32 11.715 -8.514 6.038 1.00 25.13 C ATOM 509 CE1 TYR A 32 13.808 -8.610 7.834 1.00 34.14 C ATOM 510 CE2 TYR A 32 11.470 -8.817 7.364 1.00 64.23 C ATOM 511 CZ TYR A 32 12.520 -8.865 8.258 1.00 53.53 C ATOM 512 OH TYR A 32 12.281 -9.166 9.579 1.00 72.11 O ATOM 0 H TYR A 32 13.988 -6.144 1.902 1.00 63.13 H new ATOM 0 HA TYR A 32 12.339 -5.991 4.313 1.00 13.31 H new ATOM 0 HB2 TYR A 32 12.531 -8.435 3.516 1.00 44.23 H new ATOM 0 HB3 TYR A 32 14.245 -8.309 3.855 1.00 44.23 H new ATOM 0 HD1 TYR A 32 15.052 -8.105 6.181 1.00 61.44 H new ATOM 0 HD2 TYR A 32 10.891 -8.479 5.340 1.00 25.13 H new ATOM 0 HE1 TYR A 32 14.628 -8.648 8.536 1.00 34.14 H new ATOM 0 HE2 TYR A 32 10.462 -9.015 7.699 1.00 64.23 H new ATOM 0 HH TYR A 32 11.322 -9.317 9.712 1.00 72.11 H new ATOM 522 N ASP A 33 14.261 -4.581 5.010 1.00 64.53 N ATOM 523 CA ASP A 33 15.366 -3.825 5.588 1.00 30.12 C ATOM 524 C ASP A 33 16.365 -3.413 4.512 1.00 61.15 C ATOM 525 O ASP A 33 17.499 -3.040 4.813 1.00 62.32 O ATOM 526 CB ASP A 33 16.070 -4.652 6.665 1.00 32.21 C ATOM 527 CG ASP A 33 17.192 -3.889 7.340 1.00 3.31 C ATOM 528 OD1 ASP A 33 17.139 -2.641 7.351 1.00 12.21 O ATOM 529 OD2 ASP A 33 18.124 -4.539 7.858 1.00 12.01 O ATOM 0 H ASP A 33 13.346 -4.147 5.127 1.00 64.53 H new ATOM 0 HA ASP A 33 14.957 -2.923 6.043 1.00 30.12 H new ATOM 0 HB2 ASP A 33 15.342 -4.961 7.415 1.00 32.21 H new ATOM 0 HB3 ASP A 33 16.471 -5.561 6.217 1.00 32.21 H new ATOM 534 N TYR A 34 15.937 -3.484 3.256 1.00 31.11 N ATOM 535 CA TYR A 34 16.795 -3.122 2.134 1.00 30.13 C ATOM 536 C TYR A 34 17.996 -4.058 2.043 1.00 63.00 C ATOM 537 O TYR A 34 19.070 -3.665 1.588 1.00 55.45 O ATOM 538 CB TYR A 34 17.271 -1.675 2.275 1.00 21.34 C ATOM 539 CG TYR A 34 16.150 -0.690 2.516 1.00 1.34 C ATOM 540 CD1 TYR A 34 15.700 -0.420 3.803 1.00 24.53 C ATOM 541 CD2 TYR A 34 15.540 -0.029 1.458 1.00 40.53 C ATOM 542 CE1 TYR A 34 14.676 0.479 4.028 1.00 30.35 C ATOM 543 CE2 TYR A 34 14.516 0.873 1.674 1.00 41.34 C ATOM 544 CZ TYR A 34 14.087 1.123 2.961 1.00 45.35 C ATOM 545 OH TYR A 34 13.067 2.020 3.180 1.00 72.14 O ATOM 0 H TYR A 34 15.001 -3.789 2.990 1.00 31.11 H new ATOM 0 HA TYR A 34 16.212 -3.218 1.218 1.00 30.13 H new ATOM 0 HB2 TYR A 34 17.981 -1.614 3.100 1.00 21.34 H new ATOM 0 HB3 TYR A 34 17.807 -1.388 1.371 1.00 21.34 H new ATOM 0 HD1 TYR A 34 16.159 -0.922 4.642 1.00 24.53 H new ATOM 0 HD2 TYR A 34 15.872 -0.223 0.449 1.00 40.53 H new ATOM 0 HE1 TYR A 34 14.338 0.676 5.035 1.00 30.35 H new ATOM 0 HE2 TYR A 34 14.054 1.380 0.840 1.00 41.34 H new ATOM 0 HH TYR A 34 12.763 2.386 2.323 1.00 72.14 H new ATOM 555 N GLU A 35 17.806 -5.299 2.479 1.00 32.24 N ATOM 556 CA GLU A 35 18.873 -6.292 2.447 1.00 4.13 C ATOM 557 C GLU A 35 18.377 -7.605 1.849 1.00 24.23 C ATOM 558 O GLU A 35 19.139 -8.562 1.710 1.00 72.44 O ATOM 559 CB GLU A 35 19.418 -6.534 3.857 1.00 55.12 C ATOM 560 CG GLU A 35 18.358 -6.443 4.942 1.00 20.11 C ATOM 561 CD GLU A 35 18.913 -6.728 6.324 1.00 10.54 C ATOM 562 OE1 GLU A 35 20.018 -6.234 6.632 1.00 2.03 O ATOM 563 OE2 GLU A 35 18.243 -7.443 7.098 1.00 70.24 O ATOM 0 H GLU A 35 16.923 -5.641 2.859 1.00 32.24 H new ATOM 0 HA GLU A 35 19.674 -5.906 1.817 1.00 4.13 H new ATOM 0 HB2 GLU A 35 19.881 -7.520 3.894 1.00 55.12 H new ATOM 0 HB3 GLU A 35 20.202 -5.806 4.065 1.00 55.12 H new ATOM 0 HG2 GLU A 35 17.916 -5.447 4.930 1.00 20.11 H new ATOM 0 HG3 GLU A 35 17.557 -7.150 4.723 1.00 20.11 H new ATOM 570 N TRP A 36 17.097 -7.642 1.499 1.00 30.30 N ATOM 571 CA TRP A 36 16.498 -8.838 0.917 1.00 64.14 C ATOM 572 C TRP A 36 15.318 -8.476 0.022 1.00 12.44 C ATOM 573 O TRP A 36 14.481 -7.650 0.387 1.00 13.15 O ATOM 574 CB TRP A 36 16.044 -9.795 2.020 1.00 54.11 C ATOM 575 CG TRP A 36 17.151 -10.209 2.941 1.00 63.23 C ATOM 576 CD1 TRP A 36 17.398 -9.727 4.194 1.00 21.45 C ATOM 577 CD2 TRP A 36 18.162 -11.188 2.679 1.00 65.34 C ATOM 578 NE1 TRP A 36 18.502 -10.348 4.728 1.00 60.13 N ATOM 579 CE2 TRP A 36 18.989 -11.249 3.818 1.00 74.21 C ATOM 580 CE3 TRP A 36 18.449 -12.021 1.594 1.00 43.14 C ATOM 581 CZ2 TRP A 36 20.081 -12.109 3.900 1.00 50.42 C ATOM 582 CZ3 TRP A 36 19.534 -12.873 1.676 1.00 30.03 C ATOM 583 CH2 TRP A 36 20.339 -12.912 2.823 1.00 74.42 C ATOM 0 H TRP A 36 16.454 -6.858 1.608 1.00 30.30 H new ATOM 0 HA TRP A 36 17.254 -9.332 0.307 1.00 64.14 H new ATOM 0 HB2 TRP A 36 15.256 -9.318 2.603 1.00 54.11 H new ATOM 0 HB3 TRP A 36 15.610 -10.684 1.563 1.00 54.11 H new ATOM 0 HD1 TRP A 36 16.812 -8.969 4.693 1.00 21.45 H new ATOM 0 HE1 TRP A 36 18.895 -10.167 5.652 1.00 60.13 H new ATOM 0 HE3 TRP A 36 17.833 -11.999 0.707 1.00 43.14 H new ATOM 0 HZ2 TRP A 36 20.702 -12.141 4.783 1.00 50.42 H new ATOM 0 HZ3 TRP A 36 19.766 -13.520 0.843 1.00 30.03 H new ATOM 0 HH2 TRP A 36 21.179 -13.589 2.857 1.00 74.42 H new ATOM 594 N PHE A 37 15.256 -9.098 -1.150 1.00 41.11 N ATOM 595 CA PHE A 37 14.177 -8.840 -2.097 1.00 5.31 C ATOM 596 C PHE A 37 13.420 -10.124 -2.422 1.00 13.35 C ATOM 597 O PHE A 37 14.020 -11.185 -2.593 1.00 4.14 O ATOM 598 CB PHE A 37 14.735 -8.224 -3.382 1.00 72.21 C ATOM 599 CG PHE A 37 14.494 -6.746 -3.492 1.00 55.14 C ATOM 600 CD1 PHE A 37 13.207 -6.234 -3.438 1.00 20.54 C ATOM 601 CD2 PHE A 37 15.553 -5.868 -3.652 1.00 4.44 C ATOM 602 CE1 PHE A 37 12.981 -4.874 -3.538 1.00 65.54 C ATOM 603 CE2 PHE A 37 15.334 -4.507 -3.753 1.00 0.25 C ATOM 604 CZ PHE A 37 14.047 -4.010 -3.697 1.00 55.32 C ATOM 0 H PHE A 37 15.940 -9.785 -1.467 1.00 41.11 H new ATOM 0 HA PHE A 37 13.483 -8.137 -1.637 1.00 5.31 H new ATOM 0 HB2 PHE A 37 15.807 -8.414 -3.431 1.00 72.21 H new ATOM 0 HB3 PHE A 37 14.284 -8.722 -4.240 1.00 72.21 H new ATOM 0 HD1 PHE A 37 12.370 -6.906 -3.316 1.00 20.54 H new ATOM 0 HD2 PHE A 37 16.562 -6.251 -3.698 1.00 4.44 H new ATOM 0 HE1 PHE A 37 11.973 -4.488 -3.492 1.00 65.54 H new ATOM 0 HE2 PHE A 37 16.169 -3.833 -3.876 1.00 0.25 H new ATOM 0 HZ PHE A 37 13.874 -2.947 -3.777 1.00 55.32 H new ATOM 614 N ILE A 38 12.098 -10.019 -2.504 1.00 12.41 N ATOM 615 CA ILE A 38 11.258 -11.170 -2.808 1.00 71.43 C ATOM 616 C ILE A 38 10.983 -11.270 -4.305 1.00 20.21 C ATOM 617 O ILE A 38 10.057 -10.644 -4.819 1.00 72.13 O ATOM 618 CB ILE A 38 9.916 -11.104 -2.055 1.00 4.33 C ATOM 619 CG1 ILE A 38 10.140 -10.655 -0.609 1.00 42.43 C ATOM 620 CG2 ILE A 38 9.220 -12.456 -2.093 1.00 55.42 C ATOM 621 CD1 ILE A 38 11.109 -11.532 0.153 1.00 54.21 C ATOM 0 H ILE A 38 11.586 -9.148 -2.364 1.00 12.41 H new ATOM 0 HA ILE A 38 11.805 -12.054 -2.481 1.00 71.43 H new ATOM 0 HB ILE A 38 9.275 -10.373 -2.548 1.00 4.33 H new ATOM 0 HG12 ILE A 38 10.512 -9.631 -0.609 1.00 42.43 H new ATOM 0 HG13 ILE A 38 9.183 -10.646 -0.087 1.00 42.43 H new ATOM 0 HG21 ILE A 38 8.273 -12.393 -1.557 1.00 55.42 H new ATOM 0 HG22 ILE A 38 9.032 -12.740 -3.129 1.00 55.42 H new ATOM 0 HG23 ILE A 38 9.855 -13.206 -1.621 1.00 55.42 H new ATOM 0 HD11 ILE A 38 11.219 -11.155 1.170 1.00 54.21 H new ATOM 0 HD12 ILE A 38 10.728 -12.553 0.184 1.00 54.21 H new ATOM 0 HD13 ILE A 38 12.078 -11.521 -0.345 1.00 54.21 H new ATOM 633 N ALA A 39 11.793 -12.063 -4.998 1.00 64.22 N ATOM 634 CA ALA A 39 11.635 -12.249 -6.435 1.00 44.53 C ATOM 635 C ALA A 39 11.108 -13.643 -6.754 1.00 75.22 C ATOM 636 O ALA A 39 11.578 -14.638 -6.202 1.00 41.11 O ATOM 637 CB ALA A 39 12.958 -12.007 -7.147 1.00 62.22 C ATOM 0 H ALA A 39 12.566 -12.587 -4.587 1.00 64.22 H new ATOM 0 HA ALA A 39 10.904 -11.523 -6.792 1.00 44.53 H new ATOM 0 HB1 ALA A 39 12.825 -12.149 -8.219 1.00 62.22 H new ATOM 0 HB2 ALA A 39 13.293 -10.988 -6.955 1.00 62.22 H new ATOM 0 HB3 ALA A 39 13.704 -12.710 -6.777 1.00 62.22 H new ATOM 643 N LYS A 40 10.127 -13.709 -7.648 1.00 74.30 N ATOM 644 CA LYS A 40 9.534 -14.982 -8.042 1.00 21.13 C ATOM 645 C LYS A 40 9.922 -15.344 -9.472 1.00 3.22 C ATOM 646 O LYS A 40 10.260 -14.484 -10.285 1.00 44.41 O ATOM 647 CB LYS A 40 8.010 -14.919 -7.916 1.00 22.31 C ATOM 648 CG LYS A 40 7.406 -13.643 -8.476 1.00 32.24 C ATOM 649 CD LYS A 40 5.955 -13.844 -8.881 1.00 22.31 C ATOM 650 CE LYS A 40 5.834 -14.222 -10.349 1.00 70.51 C ATOM 651 NZ LYS A 40 5.886 -15.697 -10.548 1.00 61.42 N ATOM 0 H LYS A 40 9.725 -12.895 -8.114 1.00 74.30 H new ATOM 0 HA LYS A 40 9.916 -15.754 -7.374 1.00 21.13 H new ATOM 0 HB2 LYS A 40 7.575 -15.774 -8.433 1.00 22.31 H new ATOM 0 HB3 LYS A 40 7.737 -15.010 -6.865 1.00 22.31 H new ATOM 0 HG2 LYS A 40 7.470 -12.851 -7.730 1.00 32.24 H new ATOM 0 HG3 LYS A 40 7.984 -13.314 -9.340 1.00 32.24 H new ATOM 0 HD2 LYS A 40 5.509 -14.625 -8.265 1.00 22.31 H new ATOM 0 HD3 LYS A 40 5.393 -12.929 -8.692 1.00 22.31 H new ATOM 0 HE2 LYS A 40 4.896 -13.835 -10.748 1.00 70.51 H new ATOM 0 HE3 LYS A 40 6.639 -13.751 -10.913 1.00 70.51 H new ATOM 0 HZ1 LYS A 40 6.749 -15.946 -11.072 1.00 61.42 H new ATOM 0 HZ2 LYS A 40 5.893 -16.172 -9.623 1.00 61.42 H new ATOM 0 HZ3 LYS A 40 5.052 -16.004 -11.088 1.00 61.42 H new ATOM 665 N PRO A 41 9.872 -16.646 -9.788 1.00 61.31 N ATOM 666 CA PRO A 41 10.213 -17.151 -11.122 1.00 2.25 C ATOM 667 C PRO A 41 9.182 -16.755 -12.172 1.00 75.24 C ATOM 668 O PRO A 41 7.993 -17.042 -12.027 1.00 52.12 O ATOM 669 CB PRO A 41 10.229 -18.670 -10.933 1.00 11.32 C ATOM 670 CG PRO A 41 9.325 -18.917 -9.775 1.00 12.12 C ATOM 671 CD PRO A 41 9.478 -17.727 -8.869 1.00 12.24 C ATOM 0 HA PRO A 41 11.157 -16.743 -11.483 1.00 2.25 H new ATOM 0 HB2 PRO A 41 9.876 -19.184 -11.827 1.00 11.32 H new ATOM 0 HB3 PRO A 41 11.237 -19.034 -10.733 1.00 11.32 H new ATOM 0 HG2 PRO A 41 8.291 -19.027 -10.103 1.00 12.12 H new ATOM 0 HG3 PRO A 41 9.595 -19.838 -9.258 1.00 12.12 H new ATOM 0 HD2 PRO A 41 8.548 -17.494 -8.351 1.00 12.24 H new ATOM 0 HD3 PRO A 41 10.235 -17.899 -8.104 1.00 12.24 H new ATOM 679 N ILE A 42 9.643 -16.096 -13.230 1.00 25.43 N ATOM 680 CA ILE A 42 8.760 -15.663 -14.305 1.00 61.53 C ATOM 681 C ILE A 42 8.647 -16.732 -15.387 1.00 52.03 C ATOM 682 O ILE A 42 7.553 -17.038 -15.860 1.00 11.33 O ATOM 683 CB ILE A 42 9.252 -14.352 -14.945 1.00 4.34 C ATOM 684 CG1 ILE A 42 9.459 -13.281 -13.871 1.00 34.53 C ATOM 685 CG2 ILE A 42 8.263 -13.871 -15.996 1.00 65.10 C ATOM 686 CD1 ILE A 42 9.955 -11.962 -14.420 1.00 21.33 C ATOM 0 H ILE A 42 10.624 -15.850 -13.365 1.00 25.43 H new ATOM 0 HA ILE A 42 7.780 -15.494 -13.859 1.00 61.53 H new ATOM 0 HB ILE A 42 10.208 -14.540 -15.434 1.00 4.34 H new ATOM 0 HG12 ILE A 42 8.517 -13.116 -13.348 1.00 34.53 H new ATOM 0 HG13 ILE A 42 10.173 -13.650 -13.134 1.00 34.53 H new ATOM 0 HG21 ILE A 42 8.625 -12.943 -16.439 1.00 65.10 H new ATOM 0 HG22 ILE A 42 8.161 -14.628 -16.773 1.00 65.10 H new ATOM 0 HG23 ILE A 42 7.293 -13.696 -15.530 1.00 65.10 H new ATOM 0 HD11 ILE A 42 10.079 -11.251 -13.603 1.00 21.33 H new ATOM 0 HD12 ILE A 42 10.913 -12.112 -14.918 1.00 21.33 H new ATOM 0 HD13 ILE A 42 9.231 -11.570 -15.135 1.00 21.33 H new ATOM 769 N PRO A 47 7.115 -18.503 -4.853 1.00 51.33 N ATOM 770 CA PRO A 47 7.930 -17.352 -4.453 1.00 30.04 C ATOM 771 C PRO A 47 8.988 -17.723 -3.419 1.00 12.22 C ATOM 772 O PRO A 47 8.755 -18.565 -2.553 1.00 10.23 O ATOM 773 CB PRO A 47 6.907 -16.386 -3.849 1.00 25.24 C ATOM 774 CG PRO A 47 5.790 -17.257 -3.387 1.00 63.13 C ATOM 775 CD PRO A 47 5.732 -18.404 -4.357 1.00 72.45 C ATOM 0 HA PRO A 47 8.487 -16.935 -5.292 1.00 30.04 H new ATOM 0 HB2 PRO A 47 7.337 -15.821 -3.022 1.00 25.24 H new ATOM 0 HB3 PRO A 47 6.564 -15.660 -4.587 1.00 25.24 H new ATOM 0 HG2 PRO A 47 5.967 -17.613 -2.372 1.00 63.13 H new ATOM 0 HG3 PRO A 47 4.848 -16.709 -3.373 1.00 63.13 H new ATOM 0 HD2 PRO A 47 5.413 -19.326 -3.870 1.00 72.45 H new ATOM 0 HD3 PRO A 47 5.028 -18.210 -5.166 1.00 72.45 H new ATOM 783 N GLY A 48 10.152 -17.088 -3.516 1.00 11.43 N ATOM 784 CA GLY A 48 11.228 -17.364 -2.582 1.00 60.52 C ATOM 785 C GLY A 48 11.880 -16.101 -2.057 1.00 52.43 C ATOM 786 O GLY A 48 11.277 -15.026 -2.081 1.00 64.43 O ATOM 0 H GLY A 48 10.369 -16.387 -4.225 1.00 11.43 H new ATOM 0 HA2 GLY A 48 10.838 -17.943 -1.745 1.00 60.52 H new ATOM 0 HA3 GLY A 48 11.981 -17.981 -3.072 1.00 60.52 H new ATOM 790 N LEU A 49 13.113 -16.227 -1.580 1.00 60.22 N ATOM 791 CA LEU A 49 13.847 -15.086 -1.045 1.00 3.11 C ATOM 792 C LEU A 49 15.191 -14.925 -1.748 1.00 42.32 C ATOM 793 O LEU A 49 15.996 -15.855 -1.793 1.00 71.21 O ATOM 794 CB LEU A 49 14.063 -15.254 0.460 1.00 2.31 C ATOM 795 CG LEU A 49 14.068 -13.966 1.285 1.00 21.31 C ATOM 796 CD1 LEU A 49 13.622 -14.245 2.712 1.00 24.01 C ATOM 797 CD2 LEU A 49 15.450 -13.329 1.271 1.00 51.02 C ATOM 0 H LEU A 49 13.626 -17.108 -1.553 1.00 60.22 H new ATOM 0 HA LEU A 49 13.255 -14.188 -1.223 1.00 3.11 H new ATOM 0 HB2 LEU A 49 13.282 -15.908 0.848 1.00 2.31 H new ATOM 0 HB3 LEU A 49 15.013 -15.765 0.616 1.00 2.31 H new ATOM 0 HG LEU A 49 13.363 -13.266 0.836 1.00 21.31 H new ATOM 0 HD11 LEU A 49 13.632 -13.317 3.284 1.00 24.01 H new ATOM 0 HD12 LEU A 49 12.612 -14.656 2.704 1.00 24.01 H new ATOM 0 HD13 LEU A 49 14.302 -14.962 3.172 1.00 24.01 H new ATOM 0 HD21 LEU A 49 15.435 -12.414 1.863 1.00 51.02 H new ATOM 0 HD22 LEU A 49 16.175 -14.024 1.695 1.00 51.02 H new ATOM 0 HD23 LEU A 49 15.731 -13.093 0.245 1.00 51.02 H new ATOM 809 N VAL A 50 15.429 -13.736 -2.295 1.00 35.43 N ATOM 810 CA VAL A 50 16.676 -13.452 -2.993 1.00 4.51 C ATOM 811 C VAL A 50 17.288 -12.140 -2.513 1.00 32.24 C ATOM 812 O VAL A 50 16.610 -11.121 -2.383 1.00 15.11 O ATOM 813 CB VAL A 50 16.463 -13.378 -4.517 1.00 31.15 C ATOM 814 CG1 VAL A 50 15.421 -12.324 -4.860 1.00 21.33 C ATOM 815 CG2 VAL A 50 17.778 -13.090 -5.225 1.00 71.20 C ATOM 0 H VAL A 50 14.774 -12.955 -2.268 1.00 35.43 H new ATOM 0 HA VAL A 50 17.358 -14.272 -2.768 1.00 4.51 H new ATOM 0 HB VAL A 50 16.095 -14.344 -4.862 1.00 31.15 H new ATOM 0 HG11 VAL A 50 15.284 -12.286 -5.941 1.00 21.33 H new ATOM 0 HG12 VAL A 50 14.475 -12.579 -4.383 1.00 21.33 H new ATOM 0 HG13 VAL A 50 15.757 -11.351 -4.502 1.00 21.33 H new ATOM 0 HG21 VAL A 50 17.609 -13.041 -6.301 1.00 71.20 H new ATOM 0 HG22 VAL A 50 18.178 -12.138 -4.877 1.00 71.20 H new ATOM 0 HG23 VAL A 50 18.491 -13.885 -5.006 1.00 71.20 H new ATOM 825 N PRO A 51 18.601 -12.164 -2.242 1.00 43.11 N ATOM 826 CA PRO A 51 19.334 -10.984 -1.773 1.00 23.33 C ATOM 827 C PRO A 51 19.477 -9.921 -2.857 1.00 20.24 C ATOM 828 O PRO A 51 19.473 -10.231 -4.048 1.00 52.32 O ATOM 829 CB PRO A 51 20.706 -11.547 -1.392 1.00 71.30 C ATOM 830 CG PRO A 51 20.856 -12.774 -2.223 1.00 72.44 C ATOM 831 CD PRO A 51 19.472 -13.344 -2.374 1.00 43.13 C ATOM 0 HA PRO A 51 18.820 -10.485 -0.952 1.00 23.33 H new ATOM 0 HB2 PRO A 51 21.500 -10.829 -1.599 1.00 71.30 H new ATOM 0 HB3 PRO A 51 20.757 -11.780 -0.329 1.00 71.30 H new ATOM 0 HG2 PRO A 51 21.288 -12.537 -3.195 1.00 72.44 H new ATOM 0 HG3 PRO A 51 21.523 -13.491 -1.744 1.00 72.44 H new ATOM 0 HD2 PRO A 51 19.342 -13.833 -3.339 1.00 43.13 H new ATOM 0 HD3 PRO A 51 19.258 -14.089 -1.608 1.00 43.13 H new ATOM 839 N VAL A 52 19.604 -8.667 -2.436 1.00 12.33 N ATOM 840 CA VAL A 52 19.750 -7.558 -3.371 1.00 15.42 C ATOM 841 C VAL A 52 21.146 -7.534 -3.982 1.00 71.11 C ATOM 842 O VAL A 52 21.360 -6.950 -5.044 1.00 71.35 O ATOM 843 CB VAL A 52 19.479 -6.206 -2.685 1.00 14.45 C ATOM 844 CG1 VAL A 52 19.268 -5.113 -3.722 1.00 11.05 C ATOM 845 CG2 VAL A 52 18.278 -6.311 -1.757 1.00 15.40 C ATOM 0 H VAL A 52 19.609 -8.394 -1.453 1.00 12.33 H new ATOM 0 HA VAL A 52 19.014 -7.711 -4.160 1.00 15.42 H new ATOM 0 HB VAL A 52 20.350 -5.941 -2.086 1.00 14.45 H new ATOM 0 HG11 VAL A 52 19.078 -4.165 -3.218 1.00 11.05 H new ATOM 0 HG12 VAL A 52 20.160 -5.022 -4.341 1.00 11.05 H new ATOM 0 HG13 VAL A 52 18.414 -5.367 -4.350 1.00 11.05 H new ATOM 0 HG21 VAL A 52 18.101 -5.347 -1.281 1.00 15.40 H new ATOM 0 HG22 VAL A 52 17.398 -6.599 -2.332 1.00 15.40 H new ATOM 0 HG23 VAL A 52 18.474 -7.063 -0.992 1.00 15.40 H new ATOM 855 N SER A 53 22.094 -8.173 -3.304 1.00 34.40 N ATOM 856 CA SER A 53 23.472 -8.223 -3.779 1.00 34.45 C ATOM 857 C SER A 53 23.617 -9.225 -4.920 1.00 20.31 C ATOM 858 O SER A 53 24.694 -9.371 -5.499 1.00 74.42 O ATOM 859 CB SER A 53 24.414 -8.597 -2.633 1.00 65.43 C ATOM 860 OG SER A 53 24.318 -7.667 -1.569 1.00 32.13 O ATOM 0 H SER A 53 21.933 -8.663 -2.424 1.00 34.40 H new ATOM 0 HA SER A 53 23.739 -7.234 -4.152 1.00 34.45 H new ATOM 0 HB2 SER A 53 24.171 -9.596 -2.270 1.00 65.43 H new ATOM 0 HB3 SER A 53 25.440 -8.631 -2.998 1.00 65.43 H new ATOM 0 HG SER A 53 24.929 -7.930 -0.849 1.00 32.13 H new ATOM 866 N TYR A 54 22.526 -9.913 -5.237 1.00 51.04 N ATOM 867 CA TYR A 54 22.531 -10.903 -6.307 1.00 70.35 C ATOM 868 C TYR A 54 21.428 -10.615 -7.322 1.00 22.34 C ATOM 869 O TYR A 54 21.004 -11.501 -8.064 1.00 23.20 O ATOM 870 CB TYR A 54 22.354 -12.309 -5.731 1.00 24.02 C ATOM 871 CG TYR A 54 23.519 -12.766 -4.882 1.00 64.12 C ATOM 872 CD1 TYR A 54 23.769 -12.191 -3.642 1.00 60.42 C ATOM 873 CD2 TYR A 54 24.370 -13.774 -5.320 1.00 50.24 C ATOM 874 CE1 TYR A 54 24.833 -12.605 -2.864 1.00 73.42 C ATOM 875 CE2 TYR A 54 25.435 -14.195 -4.548 1.00 62.33 C ATOM 876 CZ TYR A 54 25.663 -13.608 -3.321 1.00 53.33 C ATOM 877 OH TYR A 54 26.723 -14.024 -2.549 1.00 35.05 O ATOM 0 H TYR A 54 21.627 -9.803 -4.768 1.00 51.04 H new ATOM 0 HA TYR A 54 23.493 -10.844 -6.816 1.00 70.35 H new ATOM 0 HB2 TYR A 54 21.445 -12.335 -5.130 1.00 24.02 H new ATOM 0 HB3 TYR A 54 22.214 -13.014 -6.551 1.00 24.02 H new ATOM 0 HD1 TYR A 54 23.120 -11.407 -3.280 1.00 60.42 H new ATOM 0 HD2 TYR A 54 24.195 -14.236 -6.280 1.00 50.24 H new ATOM 0 HE1 TYR A 54 25.014 -12.146 -1.903 1.00 73.42 H new ATOM 0 HE2 TYR A 54 26.086 -14.980 -4.903 1.00 62.33 H new ATOM 0 HH TYR A 54 27.207 -14.738 -3.015 1.00 35.05 H new ATOM 887 N VAL A 55 20.968 -9.369 -7.347 1.00 52.54 N ATOM 888 CA VAL A 55 19.916 -8.961 -8.271 1.00 13.03 C ATOM 889 C VAL A 55 20.073 -7.499 -8.672 1.00 14.52 C ATOM 890 O VAL A 55 20.838 -6.755 -8.058 1.00 42.23 O ATOM 891 CB VAL A 55 18.519 -9.166 -7.656 1.00 34.24 C ATOM 892 CG1 VAL A 55 18.372 -10.584 -7.124 1.00 50.20 C ATOM 893 CG2 VAL A 55 18.266 -8.147 -6.555 1.00 45.41 C ATOM 0 H VAL A 55 21.307 -8.624 -6.738 1.00 52.54 H new ATOM 0 HA VAL A 55 20.011 -9.589 -9.156 1.00 13.03 H new ATOM 0 HB VAL A 55 17.773 -9.017 -8.437 1.00 34.24 H new ATOM 0 HG11 VAL A 55 17.379 -10.710 -6.693 1.00 50.20 H new ATOM 0 HG12 VAL A 55 18.507 -11.294 -7.940 1.00 50.20 H new ATOM 0 HG13 VAL A 55 19.125 -10.765 -6.357 1.00 50.20 H new ATOM 0 HG21 VAL A 55 17.274 -8.307 -6.132 1.00 45.41 H new ATOM 0 HG22 VAL A 55 19.017 -8.262 -5.773 1.00 45.41 H new ATOM 0 HG23 VAL A 55 18.325 -7.141 -6.970 1.00 45.41 H new ATOM 903 N ARG A 56 19.342 -7.092 -9.705 1.00 61.40 N ATOM 904 CA ARG A 56 19.401 -5.718 -10.189 1.00 35.41 C ATOM 905 C ARG A 56 18.006 -5.204 -10.533 1.00 50.54 C ATOM 906 O ARG A 56 17.324 -5.759 -11.395 1.00 41.12 O ATOM 907 CB ARG A 56 20.308 -5.626 -11.417 1.00 53.12 C ATOM 908 CG ARG A 56 20.238 -4.283 -12.126 1.00 4.02 C ATOM 909 CD ARG A 56 21.042 -4.292 -13.417 1.00 30.22 C ATOM 910 NE ARG A 56 22.412 -4.751 -13.205 1.00 43.23 N ATOM 911 CZ ARG A 56 23.335 -4.039 -12.568 1.00 64.04 C ATOM 912 NH1 ARG A 56 23.036 -2.842 -12.083 1.00 22.12 N ATOM 913 NH2 ARG A 56 24.561 -4.524 -12.416 1.00 31.53 N ATOM 0 H ARG A 56 18.702 -7.694 -10.223 1.00 61.40 H new ATOM 0 HA ARG A 56 19.813 -5.096 -9.395 1.00 35.41 H new ATOM 0 HB2 ARG A 56 21.338 -5.814 -11.113 1.00 53.12 H new ATOM 0 HB3 ARG A 56 20.035 -6.413 -12.120 1.00 53.12 H new ATOM 0 HG2 ARG A 56 19.198 -4.040 -12.345 1.00 4.02 H new ATOM 0 HG3 ARG A 56 20.616 -3.502 -11.466 1.00 4.02 H new ATOM 0 HD2 ARG A 56 20.552 -4.938 -14.145 1.00 30.22 H new ATOM 0 HD3 ARG A 56 21.058 -3.288 -13.841 1.00 30.22 H new ATOM 0 HE ARG A 56 22.674 -5.668 -13.566 1.00 43.23 H new ATOM 0 HH11 ARG A 56 22.095 -2.465 -12.198 1.00 22.12 H new ATOM 0 HH12 ARG A 56 23.747 -2.298 -11.594 1.00 22.12 H new ATOM 0 HH21 ARG A 56 24.795 -5.444 -12.788 1.00 31.53 H new ATOM 0 HH22 ARG A 56 25.269 -3.977 -11.927 1.00 31.53 H new ATOM 927 N ILE A 57 17.589 -4.140 -9.854 1.00 61.23 N ATOM 928 CA ILE A 57 16.277 -3.551 -10.089 1.00 51.21 C ATOM 929 C ILE A 57 16.220 -2.858 -11.446 1.00 43.31 C ATOM 930 O ILE A 57 16.827 -1.804 -11.642 1.00 64.41 O ATOM 931 CB ILE A 57 15.911 -2.535 -8.991 1.00 4.03 C ATOM 932 CG1 ILE A 57 16.095 -3.160 -7.606 1.00 45.41 C ATOM 933 CG2 ILE A 57 14.481 -2.050 -9.173 1.00 0.31 C ATOM 934 CD1 ILE A 57 15.274 -4.412 -7.394 1.00 61.02 C ATOM 0 H ILE A 57 18.141 -3.669 -9.137 1.00 61.23 H new ATOM 0 HA ILE A 57 15.557 -4.369 -10.071 1.00 51.21 H new ATOM 0 HB ILE A 57 16.578 -1.677 -9.074 1.00 4.03 H new ATOM 0 HG12 ILE A 57 17.149 -3.397 -7.461 1.00 45.41 H new ATOM 0 HG13 ILE A 57 15.826 -2.426 -6.846 1.00 45.41 H new ATOM 0 HG21 ILE A 57 14.238 -1.333 -8.389 1.00 0.31 H new ATOM 0 HG22 ILE A 57 14.380 -1.571 -10.147 1.00 0.31 H new ATOM 0 HG23 ILE A 57 13.799 -2.898 -9.113 1.00 0.31 H new ATOM 0 HD11 ILE A 57 15.454 -4.800 -6.392 1.00 61.02 H new ATOM 0 HD12 ILE A 57 14.216 -4.177 -7.507 1.00 61.02 H new ATOM 0 HD13 ILE A 57 15.559 -5.163 -8.131 1.00 61.02 H new ATOM 946 N ILE A 58 15.486 -3.455 -12.379 1.00 44.41 N ATOM 947 CA ILE A 58 15.348 -2.893 -13.717 1.00 1.10 C ATOM 948 C ILE A 58 13.881 -2.778 -14.116 1.00 32.10 C ATOM 949 O ILE A 58 13.077 -3.665 -13.828 1.00 22.13 O ATOM 950 CB ILE A 58 16.088 -3.745 -14.765 1.00 22.23 C ATOM 951 CG1 ILE A 58 15.684 -5.215 -14.636 1.00 22.43 C ATOM 952 CG2 ILE A 58 17.593 -3.588 -14.608 1.00 23.22 C ATOM 953 CD1 ILE A 58 15.522 -5.916 -15.966 1.00 72.42 C ATOM 0 H ILE A 58 14.978 -4.327 -12.233 1.00 44.41 H new ATOM 0 HA ILE A 58 15.794 -1.899 -13.689 1.00 1.10 H new ATOM 0 HB ILE A 58 15.808 -3.396 -15.759 1.00 22.23 H new ATOM 0 HG12 ILE A 58 16.436 -5.740 -14.047 1.00 22.43 H new ATOM 0 HG13 ILE A 58 14.746 -5.279 -14.084 1.00 22.43 H new ATOM 0 HG21 ILE A 58 18.102 -4.196 -15.356 1.00 23.22 H new ATOM 0 HG22 ILE A 58 17.866 -2.542 -14.744 1.00 23.22 H new ATOM 0 HG23 ILE A 58 17.891 -3.914 -13.611 1.00 23.22 H new ATOM 0 HD11 ILE A 58 15.235 -6.954 -15.798 1.00 72.42 H new ATOM 0 HD12 ILE A 58 14.749 -5.416 -16.549 1.00 72.42 H new ATOM 0 HD13 ILE A 58 16.465 -5.884 -16.511 1.00 72.42 H new ATOM 965 N ASP A 59 13.539 -1.681 -14.782 1.00 51.22 N ATOM 966 CA ASP A 59 12.168 -1.451 -15.224 1.00 44.43 C ATOM 967 C ASP A 59 11.862 -2.254 -16.485 1.00 12.35 C ATOM 968 O ASP A 59 12.533 -2.106 -17.507 1.00 1.34 O ATOM 969 CB ASP A 59 11.937 0.039 -15.485 1.00 22.33 C ATOM 970 CG ASP A 59 10.527 0.475 -15.140 1.00 74.53 C ATOM 971 OD1 ASP A 59 9.636 -0.399 -15.069 1.00 2.52 O ATOM 972 OD2 ASP A 59 10.313 1.689 -14.941 1.00 62.43 O ATOM 0 H ASP A 59 14.192 -0.937 -15.028 1.00 51.22 H new ATOM 0 HA ASP A 59 11.496 -1.782 -14.432 1.00 44.43 H new ATOM 0 HB2 ASP A 59 12.648 0.622 -14.900 1.00 22.33 H new ATOM 0 HB3 ASP A 59 12.135 0.256 -16.535 1.00 22.33 H new ATOM 977 N LEU A 60 10.845 -3.105 -16.405 1.00 12.34 N ATOM 978 CA LEU A 60 10.449 -3.933 -17.539 1.00 3.24 C ATOM 979 C LEU A 60 10.206 -3.078 -18.778 1.00 72.23 C ATOM 980 O LEU A 60 10.404 -3.531 -19.905 1.00 60.32 O ATOM 981 CB LEU A 60 9.188 -4.729 -17.199 1.00 24.25 C ATOM 982 CG LEU A 60 9.231 -6.223 -17.520 1.00 60.44 C ATOM 983 CD1 LEU A 60 9.305 -6.444 -19.023 1.00 44.23 C ATOM 984 CD2 LEU A 60 10.411 -6.886 -16.823 1.00 54.34 C ATOM 0 H LEU A 60 10.280 -3.240 -15.567 1.00 12.34 H new ATOM 0 HA LEU A 60 11.262 -4.627 -17.753 1.00 3.24 H new ATOM 0 HB2 LEU A 60 8.985 -4.612 -16.135 1.00 24.25 H new ATOM 0 HB3 LEU A 60 8.348 -4.287 -17.734 1.00 24.25 H new ATOM 0 HG LEU A 60 8.313 -6.680 -17.150 1.00 60.44 H new ATOM 0 HD11 LEU A 60 9.335 -7.513 -19.232 1.00 44.23 H new ATOM 0 HD12 LEU A 60 8.428 -6.005 -19.499 1.00 44.23 H new ATOM 0 HD13 LEU A 60 10.205 -5.972 -19.416 1.00 44.23 H new ATOM 0 HD21 LEU A 60 10.425 -7.949 -17.063 1.00 54.34 H new ATOM 0 HD22 LEU A 60 11.339 -6.425 -17.161 1.00 54.34 H new ATOM 0 HD23 LEU A 60 10.315 -6.759 -15.745 1.00 54.34 H new ATOM 996 N MET A 61 9.777 -1.839 -18.562 1.00 20.14 N ATOM 997 CA MET A 61 9.510 -0.920 -19.662 1.00 1.22 C ATOM 998 C MET A 61 10.786 -0.203 -20.093 1.00 15.44 C ATOM 999 O MET A 61 10.910 0.226 -21.240 1.00 5.11 O ATOM 1000 CB MET A 61 8.449 0.104 -19.253 1.00 73.44 C ATOM 1001 CG MET A 61 7.200 -0.522 -18.654 1.00 72.31 C ATOM 1002 SD MET A 61 6.191 -1.373 -19.883 1.00 24.52 S ATOM 1003 CE MET A 61 7.043 -2.946 -19.989 1.00 54.20 C ATOM 0 H MET A 61 9.607 -1.448 -17.635 1.00 20.14 H new ATOM 0 HA MET A 61 9.138 -1.501 -20.506 1.00 1.22 H new ATOM 0 HB2 MET A 61 8.882 0.795 -18.530 1.00 73.44 H new ATOM 0 HB3 MET A 61 8.168 0.692 -20.126 1.00 73.44 H new ATOM 0 HG2 MET A 61 7.490 -1.228 -17.876 1.00 72.31 H new ATOM 0 HG3 MET A 61 6.604 0.254 -18.174 1.00 72.31 H new ATOM 0 HE1 MET A 61 6.319 -3.740 -20.173 1.00 54.20 H new ATOM 0 HE2 MET A 61 7.764 -2.915 -20.806 1.00 54.20 H new ATOM 0 HE3 MET A 61 7.565 -3.141 -19.052 1.00 54.20 H new ATOM 1013 N ASP A 62 11.729 -0.075 -19.166 1.00 61.42 N ATOM 1014 CA ASP A 62 12.995 0.589 -19.451 1.00 4.42 C ATOM 1015 C ASP A 62 14.123 -0.010 -18.617 1.00 64.41 C ATOM 1016 O ASP A 62 14.555 0.556 -17.613 1.00 45.52 O ATOM 1017 CB ASP A 62 12.882 2.089 -19.174 1.00 50.30 C ATOM 1018 CG ASP A 62 11.526 2.648 -19.558 1.00 50.03 C ATOM 1019 OD1 ASP A 62 11.254 2.764 -20.772 1.00 0.32 O ATOM 1020 OD2 ASP A 62 10.736 2.968 -18.646 1.00 4.14 O ATOM 0 H ASP A 62 11.640 -0.422 -18.211 1.00 61.42 H new ATOM 0 HA ASP A 62 13.227 0.438 -20.505 1.00 4.42 H new ATOM 0 HB2 ASP A 62 13.062 2.275 -18.115 1.00 50.30 H new ATOM 0 HB3 ASP A 62 13.659 2.617 -19.726 1.00 50.30 H new ATOM 1025 N PRO A 63 14.612 -1.186 -19.040 1.00 42.55 N ATOM 1026 CA PRO A 63 15.696 -1.888 -18.347 1.00 72.20 C ATOM 1027 C PRO A 63 17.034 -1.170 -18.485 1.00 60.44 C ATOM 1028 O PRO A 63 18.018 -1.543 -17.847 1.00 71.33 O ATOM 1029 CB PRO A 63 15.743 -3.248 -19.049 1.00 2.32 C ATOM 1030 CG PRO A 63 15.181 -2.994 -20.405 1.00 3.20 C ATOM 1031 CD PRO A 63 14.145 -1.919 -20.229 1.00 50.51 C ATOM 0 HA PRO A 63 15.519 -1.953 -17.273 1.00 72.20 H new ATOM 0 HB2 PRO A 63 16.763 -3.628 -19.108 1.00 2.32 H new ATOM 0 HB3 PRO A 63 15.156 -3.992 -18.510 1.00 2.32 H new ATOM 0 HG2 PRO A 63 15.960 -2.675 -21.097 1.00 3.20 H new ATOM 0 HG3 PRO A 63 14.737 -3.899 -20.819 1.00 3.20 H new ATOM 0 HD2 PRO A 63 14.086 -1.271 -21.103 1.00 50.51 H new ATOM 0 HD3 PRO A 63 13.151 -2.340 -20.077 1.00 50.51 H new ATOM 1039 N ALA A 64 17.063 -0.139 -19.323 1.00 0.45 N ATOM 1040 CA ALA A 64 18.280 0.633 -19.542 1.00 61.13 C ATOM 1041 C ALA A 64 18.324 1.859 -18.637 1.00 54.31 C ATOM 1042 O ALA A 64 19.322 2.579 -18.596 1.00 71.31 O ATOM 1043 CB ALA A 64 18.385 1.048 -21.002 1.00 65.03 C ATOM 0 H ALA A 64 16.258 0.181 -19.861 1.00 0.45 H new ATOM 0 HA ALA A 64 19.132 0.000 -19.293 1.00 61.13 H new ATOM 0 HB1 ALA A 64 19.298 1.624 -21.152 1.00 65.03 H new ATOM 0 HB2 ALA A 64 18.409 0.159 -21.632 1.00 65.03 H new ATOM 0 HB3 ALA A 64 17.523 1.659 -21.269 1.00 65.03 H new ATOM 1049 N LYS A 65 17.235 2.093 -17.913 1.00 15.22 N ATOM 1050 CA LYS A 65 17.147 3.233 -17.007 1.00 65.42 C ATOM 1051 C LYS A 65 17.779 2.905 -15.658 1.00 62.30 C ATOM 1052 O LYS A 65 18.484 3.729 -15.075 1.00 14.12 O ATOM 1053 CB LYS A 65 15.687 3.644 -16.812 1.00 14.54 C ATOM 1054 CG LYS A 65 15.158 4.550 -17.911 1.00 34.35 C ATOM 1055 CD LYS A 65 14.315 5.680 -17.344 1.00 53.13 C ATOM 1056 CE LYS A 65 15.175 6.716 -16.637 1.00 14.12 C ATOM 1057 NZ LYS A 65 14.603 8.086 -16.756 1.00 1.14 N ATOM 0 H LYS A 65 16.400 1.508 -17.936 1.00 15.22 H new ATOM 0 HA LYS A 65 17.695 4.063 -17.453 1.00 65.42 H new ATOM 0 HB2 LYS A 65 15.069 2.747 -16.763 1.00 14.54 H new ATOM 0 HB3 LYS A 65 15.586 4.153 -15.853 1.00 14.54 H new ATOM 0 HG2 LYS A 65 15.993 4.965 -18.475 1.00 34.35 H new ATOM 0 HG3 LYS A 65 14.561 3.965 -18.610 1.00 34.35 H new ATOM 0 HD2 LYS A 65 13.756 6.158 -18.149 1.00 53.13 H new ATOM 0 HD3 LYS A 65 13.584 5.274 -16.645 1.00 53.13 H new ATOM 0 HE2 LYS A 65 15.269 6.452 -15.584 1.00 14.12 H new ATOM 0 HE3 LYS A 65 16.180 6.704 -17.060 1.00 14.12 H new ATOM 0 HZ1 LYS A 65 15.218 8.763 -16.261 1.00 1.14 H new ATOM 0 HZ2 LYS A 65 14.536 8.348 -17.760 1.00 1.14 H new ATOM 0 HZ3 LYS A 65 13.655 8.104 -16.330 1.00 1.14 H new ATOM 1071 N TYR A 66 17.524 1.697 -15.169 1.00 30.54 N ATOM 1072 CA TYR A 66 18.067 1.260 -13.888 1.00 1.43 C ATOM 1073 C TYR A 66 19.101 0.155 -14.082 1.00 50.41 C ATOM 1074 O TYR A 66 19.358 -0.636 -13.175 1.00 42.33 O ATOM 1075 CB TYR A 66 16.943 0.768 -12.975 1.00 22.34 C ATOM 1076 CG TYR A 66 15.948 1.844 -12.604 1.00 40.14 C ATOM 1077 CD1 TYR A 66 15.062 2.352 -13.547 1.00 31.14 C ATOM 1078 CD2 TYR A 66 15.894 2.354 -11.313 1.00 62.01 C ATOM 1079 CE1 TYR A 66 14.151 3.336 -13.213 1.00 63.13 C ATOM 1080 CE2 TYR A 66 14.986 3.337 -10.971 1.00 20.25 C ATOM 1081 CZ TYR A 66 14.117 3.825 -11.924 1.00 31.30 C ATOM 1082 OH TYR A 66 13.212 4.805 -11.587 1.00 73.20 O ATOM 0 H TYR A 66 16.944 1.002 -15.640 1.00 30.54 H new ATOM 0 HA TYR A 66 18.558 2.113 -13.421 1.00 1.43 H new ATOM 0 HB2 TYR A 66 16.416 -0.048 -13.470 1.00 22.34 H new ATOM 0 HB3 TYR A 66 17.379 0.359 -12.064 1.00 22.34 H new ATOM 0 HD1 TYR A 66 15.086 1.971 -14.557 1.00 31.14 H new ATOM 0 HD2 TYR A 66 16.574 1.975 -10.564 1.00 62.01 H new ATOM 0 HE1 TYR A 66 13.469 3.720 -13.957 1.00 63.13 H new ATOM 0 HE2 TYR A 66 14.957 3.722 -9.962 1.00 20.25 H new ATOM 0 HH TYR A 66 12.425 4.395 -11.171 1.00 73.20 H new ATOM 1092 N ALA A 67 19.691 0.109 -15.272 1.00 71.11 N ATOM 1093 CA ALA A 67 20.699 -0.896 -15.586 1.00 73.23 C ATOM 1094 C ALA A 67 22.065 -0.493 -15.042 1.00 52.31 C ATOM 1095 O ALA A 67 22.986 -1.307 -14.986 1.00 45.23 O ATOM 1096 CB ALA A 67 20.772 -1.118 -17.090 1.00 31.12 C ATOM 0 H ALA A 67 19.488 0.756 -16.034 1.00 71.11 H new ATOM 0 HA ALA A 67 20.407 -1.830 -15.105 1.00 73.23 H new ATOM 0 HB1 ALA A 67 21.529 -1.871 -17.310 1.00 31.12 H new ATOM 0 HB2 ALA A 67 19.803 -1.460 -17.455 1.00 31.12 H new ATOM 0 HB3 ALA A 67 21.036 -0.183 -17.583 1.00 31.12 H new ATOM 1102 N SER A 68 22.188 0.769 -14.642 1.00 64.15 N ATOM 1103 CA SER A 68 23.444 1.282 -14.107 1.00 21.53 C ATOM 1104 C SER A 68 23.382 1.390 -12.586 1.00 51.22 C ATOM 1105 O SER A 68 24.411 1.404 -11.911 1.00 31.15 O ATOM 1106 CB SER A 68 23.762 2.649 -14.715 1.00 12.15 C ATOM 1107 OG SER A 68 25.093 3.038 -14.426 1.00 5.51 O ATOM 0 H SER A 68 21.434 1.455 -14.678 1.00 64.15 H new ATOM 0 HA SER A 68 24.236 0.582 -14.372 1.00 21.53 H new ATOM 0 HB2 SER A 68 23.617 2.613 -15.795 1.00 12.15 H new ATOM 0 HB3 SER A 68 23.069 3.394 -14.325 1.00 12.15 H new ATOM 0 HG SER A 68 25.272 3.914 -14.827 1.00 5.51 H new ATOM 1113 N VAL A 69 22.166 1.467 -12.054 1.00 2.30 N ATOM 1114 CA VAL A 69 21.968 1.574 -10.613 1.00 73.25 C ATOM 1115 C VAL A 69 22.740 0.489 -9.871 1.00 12.23 C ATOM 1116 O VAL A 69 23.057 -0.558 -10.435 1.00 24.02 O ATOM 1117 CB VAL A 69 20.476 1.472 -10.243 1.00 60.54 C ATOM 1118 CG1 VAL A 69 19.974 0.049 -10.438 1.00 54.13 C ATOM 1119 CG2 VAL A 69 20.250 1.934 -8.812 1.00 53.21 C ATOM 0 H VAL A 69 21.304 1.457 -12.599 1.00 2.30 H new ATOM 0 HA VAL A 69 22.343 2.552 -10.313 1.00 73.25 H new ATOM 0 HB VAL A 69 19.909 2.126 -10.906 1.00 60.54 H new ATOM 0 HG11 VAL A 69 18.918 -0.004 -10.172 1.00 54.13 H new ATOM 0 HG12 VAL A 69 20.100 -0.242 -11.481 1.00 54.13 H new ATOM 0 HG13 VAL A 69 20.543 -0.628 -9.801 1.00 54.13 H new ATOM 0 HG21 VAL A 69 19.191 1.855 -8.567 1.00 53.21 H new ATOM 0 HG22 VAL A 69 20.827 1.307 -8.132 1.00 53.21 H new ATOM 0 HG23 VAL A 69 20.570 2.971 -8.710 1.00 53.21 H new ATOM 1129 N ASP A 70 23.038 0.747 -8.602 1.00 64.12 N ATOM 1130 CA ASP A 70 23.772 -0.208 -7.780 1.00 65.33 C ATOM 1131 C ASP A 70 22.897 -0.735 -6.647 1.00 65.53 C ATOM 1132 O ASP A 70 22.609 -0.021 -5.686 1.00 64.32 O ATOM 1133 CB ASP A 70 25.033 0.442 -7.208 1.00 32.04 C ATOM 1134 CG ASP A 70 26.247 -0.459 -7.311 1.00 65.31 C ATOM 1135 OD1 ASP A 70 26.065 -1.682 -7.488 1.00 2.14 O ATOM 1136 OD2 ASP A 70 27.380 0.058 -7.215 1.00 24.33 O ATOM 0 H ASP A 70 22.783 1.609 -8.121 1.00 64.12 H new ATOM 0 HA ASP A 70 24.061 -1.048 -8.412 1.00 65.33 H new ATOM 0 HB2 ASP A 70 25.230 1.374 -7.738 1.00 32.04 H new ATOM 0 HB3 ASP A 70 24.863 0.700 -6.163 1.00 32.04 H new ATOM 1141 N THR A 71 22.476 -1.991 -6.767 1.00 13.41 N ATOM 1142 CA THR A 71 21.632 -2.613 -5.755 1.00 32.12 C ATOM 1143 C THR A 71 22.415 -2.881 -4.475 1.00 0.12 C ATOM 1144 O THR A 71 21.842 -2.946 -3.387 1.00 10.31 O ATOM 1145 CB THR A 71 21.030 -3.937 -6.262 1.00 24.42 C ATOM 1146 OG1 THR A 71 21.746 -4.390 -7.417 1.00 15.20 O ATOM 1147 CG2 THR A 71 19.558 -3.767 -6.605 1.00 42.22 C ATOM 0 H THR A 71 22.706 -2.597 -7.555 1.00 13.41 H new ATOM 0 HA THR A 71 20.824 -1.913 -5.543 1.00 32.12 H new ATOM 0 HB THR A 71 21.117 -4.678 -5.467 1.00 24.42 H new ATOM 0 HG1 THR A 71 21.359 -5.233 -7.732 1.00 15.20 H new ATOM 0 HG21 THR A 71 19.155 -4.715 -6.961 1.00 42.22 H new ATOM 0 HG22 THR A 71 19.011 -3.451 -5.716 1.00 42.22 H new ATOM 0 HG23 THR A 71 19.451 -3.012 -7.384 1.00 42.22 H new ATOM 1155 N TYR A 72 23.727 -3.035 -4.611 1.00 62.32 N ATOM 1156 CA TYR A 72 24.589 -3.298 -3.465 1.00 2.02 C ATOM 1157 C TYR A 72 24.559 -2.132 -2.482 1.00 13.33 C ATOM 1158 O TYR A 72 24.401 -2.325 -1.276 1.00 62.41 O ATOM 1159 CB TYR A 72 26.025 -3.552 -3.927 1.00 72.33 C ATOM 1160 CG TYR A 72 27.038 -3.512 -2.806 1.00 44.50 C ATOM 1161 CD1 TYR A 72 26.774 -4.115 -1.583 1.00 24.14 C ATOM 1162 CD2 TYR A 72 28.259 -2.869 -2.969 1.00 42.15 C ATOM 1163 CE1 TYR A 72 27.697 -4.080 -0.555 1.00 0.11 C ATOM 1164 CE2 TYR A 72 29.188 -2.830 -1.948 1.00 3.01 C ATOM 1165 CZ TYR A 72 28.903 -3.437 -0.743 1.00 14.44 C ATOM 1166 OH TYR A 72 29.825 -3.399 0.278 1.00 51.21 O ATOM 0 H TYR A 72 24.217 -2.982 -5.504 1.00 62.32 H new ATOM 0 HA TYR A 72 24.215 -4.187 -2.958 1.00 2.02 H new ATOM 0 HB2 TYR A 72 26.074 -4.525 -4.415 1.00 72.33 H new ATOM 0 HB3 TYR A 72 26.294 -2.807 -4.675 1.00 72.33 H new ATOM 0 HD1 TYR A 72 25.831 -4.620 -1.433 1.00 24.14 H new ATOM 0 HD2 TYR A 72 28.485 -2.391 -3.911 1.00 42.15 H new ATOM 0 HE1 TYR A 72 27.475 -4.553 0.390 1.00 0.11 H new ATOM 0 HE2 TYR A 72 30.133 -2.327 -2.092 1.00 3.01 H new ATOM 0 HH TYR A 72 30.621 -2.909 -0.018 1.00 51.21 H new ATOM 1176 N ASP A 73 24.710 -0.921 -3.006 1.00 52.41 N ATOM 1177 CA ASP A 73 24.698 0.279 -2.177 1.00 21.34 C ATOM 1178 C ASP A 73 23.339 0.464 -1.508 1.00 65.30 C ATOM 1179 O ASP A 73 22.347 0.769 -2.170 1.00 63.40 O ATOM 1180 CB ASP A 73 25.038 1.510 -3.018 1.00 24.12 C ATOM 1181 CG ASP A 73 26.530 1.771 -3.085 1.00 3.01 C ATOM 1182 OD1 ASP A 73 27.304 0.912 -2.614 1.00 63.33 O ATOM 1183 OD2 ASP A 73 26.924 2.835 -3.607 1.00 52.21 O ATOM 0 H ASP A 73 24.842 -0.744 -4.002 1.00 52.41 H new ATOM 0 HA ASP A 73 25.453 0.161 -1.399 1.00 21.34 H new ATOM 0 HB2 ASP A 73 24.650 1.375 -4.028 1.00 24.12 H new ATOM 0 HB3 ASP A 73 24.538 2.383 -2.598 1.00 24.12 H new ATOM 1188 N ARG A 74 23.302 0.276 -0.193 1.00 5.32 N ATOM 1189 CA ARG A 74 22.065 0.420 0.565 1.00 43.21 C ATOM 1190 C ARG A 74 21.417 1.775 0.295 1.00 73.23 C ATOM 1191 O ARG A 74 20.199 1.921 0.394 1.00 20.14 O ATOM 1192 CB ARG A 74 22.338 0.263 2.062 1.00 72.10 C ATOM 1193 CG ARG A 74 23.000 1.478 2.691 1.00 32.35 C ATOM 1194 CD ARG A 74 24.448 1.616 2.247 1.00 15.02 C ATOM 1195 NE ARG A 74 25.196 0.375 2.427 1.00 42.00 N ATOM 1196 CZ ARG A 74 26.397 0.159 1.902 1.00 22.33 C ATOM 1197 NH1 ARG A 74 26.983 1.096 1.170 1.00 73.25 N ATOM 1198 NH2 ARG A 74 27.015 -0.997 2.111 1.00 43.22 N ATOM 0 H ARG A 74 24.114 0.024 0.370 1.00 5.32 H new ATOM 0 HA ARG A 74 21.378 -0.363 0.244 1.00 43.21 H new ATOM 0 HB2 ARG A 74 21.397 0.066 2.576 1.00 72.10 H new ATOM 0 HB3 ARG A 74 22.974 -0.608 2.217 1.00 72.10 H new ATOM 0 HG2 ARG A 74 22.447 2.377 2.418 1.00 32.35 H new ATOM 0 HG3 ARG A 74 22.958 1.395 3.777 1.00 32.35 H new ATOM 0 HD2 ARG A 74 24.479 1.909 1.198 1.00 15.02 H new ATOM 0 HD3 ARG A 74 24.927 2.414 2.815 1.00 15.02 H new ATOM 0 HE ARG A 74 24.774 -0.366 2.986 1.00 42.00 H new ATOM 0 HH11 ARG A 74 26.512 1.986 1.008 1.00 73.25 H new ATOM 0 HH12 ARG A 74 27.905 0.927 0.768 1.00 73.25 H new ATOM 0 HH21 ARG A 74 26.568 -1.720 2.675 1.00 43.22 H new ATOM 0 HH22 ARG A 74 27.937 -1.163 1.708 1.00 43.22 H new ATOM 1212 N GLU A 75 22.239 2.761 -0.047 1.00 45.50 N ATOM 1213 CA GLU A 75 21.745 4.104 -0.330 1.00 22.11 C ATOM 1214 C GLU A 75 20.896 4.115 -1.598 1.00 3.11 C ATOM 1215 O GLU A 75 19.751 4.566 -1.586 1.00 3.12 O ATOM 1216 CB GLU A 75 22.913 5.081 -0.476 1.00 44.15 C ATOM 1217 CG GLU A 75 23.426 5.620 0.848 1.00 0.15 C ATOM 1218 CD GLU A 75 24.595 6.571 0.679 1.00 52.05 C ATOM 1219 OE1 GLU A 75 24.794 7.072 -0.448 1.00 12.23 O ATOM 1220 OE2 GLU A 75 25.310 6.814 1.673 1.00 45.12 O ATOM 0 H GLU A 75 23.250 2.656 -0.135 1.00 45.50 H new ATOM 0 HA GLU A 75 21.121 4.418 0.507 1.00 22.11 H new ATOM 0 HB2 GLU A 75 23.730 4.582 -0.996 1.00 44.15 H new ATOM 0 HB3 GLU A 75 22.600 5.917 -1.102 1.00 44.15 H new ATOM 0 HG2 GLU A 75 22.616 6.135 1.364 1.00 0.15 H new ATOM 0 HG3 GLU A 75 23.729 4.787 1.482 1.00 0.15 H new ATOM 1227 N GLN A 76 21.467 3.616 -2.690 1.00 1.14 N ATOM 1228 CA GLN A 76 20.764 3.570 -3.966 1.00 34.11 C ATOM 1229 C GLN A 76 19.490 2.739 -3.855 1.00 74.34 C ATOM 1230 O GLN A 76 18.397 3.215 -4.163 1.00 72.32 O ATOM 1231 CB GLN A 76 21.672 2.991 -5.052 1.00 53.22 C ATOM 1232 CG GLN A 76 22.946 3.791 -5.269 1.00 64.41 C ATOM 1233 CD GLN A 76 23.303 3.934 -6.735 1.00 62.35 C ATOM 1234 OE1 GLN A 76 22.458 4.280 -7.561 1.00 73.21 O ATOM 1235 NE2 GLN A 76 24.561 3.668 -7.068 1.00 20.33 N ATOM 0 H GLN A 76 22.414 3.238 -2.716 1.00 1.14 H new ATOM 0 HA GLN A 76 20.489 4.589 -4.238 1.00 34.11 H new ATOM 0 HB2 GLN A 76 21.936 1.968 -4.786 1.00 53.22 H new ATOM 0 HB3 GLN A 76 21.118 2.943 -5.990 1.00 53.22 H new ATOM 0 HG2 GLN A 76 22.828 4.781 -4.830 1.00 64.41 H new ATOM 0 HG3 GLN A 76 23.769 3.306 -4.744 1.00 64.41 H new ATOM 0 HE21 GLN A 76 25.229 3.384 -6.351 1.00 20.33 H new ATOM 0 HE22 GLN A 76 24.859 3.747 -8.040 1.00 20.33 H new ATOM 1244 N VAL A 77 19.638 1.493 -3.414 1.00 53.55 N ATOM 1245 CA VAL A 77 18.499 0.596 -3.263 1.00 30.33 C ATOM 1246 C VAL A 77 17.414 1.225 -2.396 1.00 4.51 C ATOM 1247 O VAL A 77 16.225 0.987 -2.602 1.00 31.45 O ATOM 1248 CB VAL A 77 18.923 -0.748 -2.640 1.00 54.10 C ATOM 1249 CG1 VAL A 77 19.168 -0.591 -1.147 1.00 43.11 C ATOM 1250 CG2 VAL A 77 17.870 -1.813 -2.906 1.00 62.54 C ATOM 0 H VAL A 77 20.535 1.083 -3.155 1.00 53.55 H new ATOM 0 HA VAL A 77 18.102 0.417 -4.262 1.00 30.33 H new ATOM 0 HB VAL A 77 19.856 -1.066 -3.105 1.00 54.10 H new ATOM 0 HG11 VAL A 77 19.466 -1.550 -0.724 1.00 43.11 H new ATOM 0 HG12 VAL A 77 19.960 0.140 -0.983 1.00 43.11 H new ATOM 0 HG13 VAL A 77 18.253 -0.250 -0.662 1.00 43.11 H new ATOM 0 HG21 VAL A 77 18.185 -2.756 -2.459 1.00 62.54 H new ATOM 0 HG22 VAL A 77 16.921 -1.504 -2.468 1.00 62.54 H new ATOM 0 HG23 VAL A 77 17.748 -1.944 -3.981 1.00 62.54 H new ATOM 1260 N MET A 78 17.834 2.032 -1.426 1.00 74.31 N ATOM 1261 CA MET A 78 16.897 2.698 -0.528 1.00 61.14 C ATOM 1262 C MET A 78 16.062 3.729 -1.281 1.00 43.03 C ATOM 1263 O MET A 78 14.832 3.703 -1.233 1.00 24.44 O ATOM 1264 CB MET A 78 17.650 3.374 0.619 1.00 63.21 C ATOM 1265 CG MET A 78 17.706 2.536 1.886 1.00 10.11 C ATOM 1266 SD MET A 78 18.344 3.456 3.300 1.00 54.34 S ATOM 1267 CE MET A 78 20.106 3.202 3.102 1.00 35.22 C ATOM 0 H MET A 78 18.815 2.240 -1.242 1.00 74.31 H new ATOM 0 HA MET A 78 16.226 1.943 -0.118 1.00 61.14 H new ATOM 0 HB2 MET A 78 18.667 3.596 0.295 1.00 63.21 H new ATOM 0 HB3 MET A 78 17.172 4.327 0.844 1.00 63.21 H new ATOM 0 HG2 MET A 78 16.707 2.168 2.118 1.00 10.11 H new ATOM 0 HG3 MET A 78 18.335 1.663 1.712 1.00 10.11 H new ATOM 0 HE1 MET A 78 20.615 3.440 4.036 1.00 35.22 H new ATOM 0 HE2 MET A 78 20.296 2.161 2.840 1.00 35.22 H new ATOM 0 HE3 MET A 78 20.480 3.850 2.310 1.00 35.22 H new ATOM 1277 N LYS A 79 16.738 4.637 -1.977 1.00 64.01 N ATOM 1278 CA LYS A 79 16.060 5.677 -2.741 1.00 72.14 C ATOM 1279 C LYS A 79 15.089 5.067 -3.748 1.00 24.23 C ATOM 1280 O LYS A 79 13.998 5.593 -3.969 1.00 21.33 O ATOM 1281 CB LYS A 79 17.082 6.553 -3.469 1.00 61.22 C ATOM 1282 CG LYS A 79 18.063 7.245 -2.538 1.00 74.21 C ATOM 1283 CD LYS A 79 19.396 7.499 -3.221 1.00 71.22 C ATOM 1284 CE LYS A 79 20.504 7.742 -2.208 1.00 12.41 C ATOM 1285 NZ LYS A 79 20.448 9.120 -1.645 1.00 35.21 N ATOM 0 H LYS A 79 17.756 4.673 -2.028 1.00 64.01 H new ATOM 0 HA LYS A 79 15.493 6.294 -2.043 1.00 72.14 H new ATOM 0 HB2 LYS A 79 17.638 5.937 -4.176 1.00 61.22 H new ATOM 0 HB3 LYS A 79 16.552 7.307 -4.051 1.00 61.22 H new ATOM 0 HG2 LYS A 79 17.640 8.191 -2.201 1.00 74.21 H new ATOM 0 HG3 LYS A 79 18.219 6.631 -1.651 1.00 74.21 H new ATOM 0 HD2 LYS A 79 19.654 6.644 -3.846 1.00 71.22 H new ATOM 0 HD3 LYS A 79 19.309 8.362 -3.881 1.00 71.22 H new ATOM 0 HE2 LYS A 79 20.423 7.016 -1.399 1.00 12.41 H new ATOM 0 HE3 LYS A 79 21.472 7.583 -2.683 1.00 12.41 H new ATOM 0 HZ1 LYS A 79 21.219 9.246 -0.959 1.00 35.21 H new ATOM 0 HZ2 LYS A 79 20.551 9.813 -2.413 1.00 35.21 H new ATOM 0 HZ3 LYS A 79 19.534 9.264 -1.169 1.00 35.21 H new ATOM 1299 N ILE A 80 15.493 3.955 -4.353 1.00 42.22 N ATOM 1300 CA ILE A 80 14.658 3.273 -5.334 1.00 14.24 C ATOM 1301 C ILE A 80 13.390 2.723 -4.688 1.00 64.11 C ATOM 1302 O ILE A 80 12.280 2.991 -5.149 1.00 24.01 O ATOM 1303 CB ILE A 80 15.416 2.119 -6.014 1.00 65.32 C ATOM 1304 CG1 ILE A 80 16.656 2.650 -6.736 1.00 43.03 C ATOM 1305 CG2 ILE A 80 14.504 1.386 -6.986 1.00 62.52 C ATOM 1306 CD1 ILE A 80 17.800 1.661 -6.780 1.00 3.30 C ATOM 0 H ILE A 80 16.393 3.507 -4.181 1.00 42.22 H new ATOM 0 HA ILE A 80 14.388 4.013 -6.088 1.00 14.24 H new ATOM 0 HB ILE A 80 15.739 1.414 -5.247 1.00 65.32 H new ATOM 0 HG12 ILE A 80 16.384 2.924 -7.755 1.00 43.03 H new ATOM 0 HG13 ILE A 80 16.993 3.561 -6.241 1.00 43.03 H new ATOM 0 HG21 ILE A 80 15.055 0.573 -7.459 1.00 62.52 H new ATOM 0 HG22 ILE A 80 13.649 0.979 -6.446 1.00 62.52 H new ATOM 0 HG23 ILE A 80 14.154 2.080 -7.750 1.00 62.52 H new ATOM 0 HD11 ILE A 80 18.645 2.105 -7.307 1.00 3.30 H new ATOM 0 HD12 ILE A 80 18.100 1.406 -5.764 1.00 3.30 H new ATOM 0 HD13 ILE A 80 17.481 0.759 -7.302 1.00 3.30 H new ATOM 1318 N ILE A 81 13.564 1.954 -3.618 1.00 51.04 N ATOM 1319 CA ILE A 81 12.434 1.369 -2.908 1.00 31.34 C ATOM 1320 C ILE A 81 11.526 2.451 -2.332 1.00 25.52 C ATOM 1321 O ILE A 81 10.305 2.302 -2.307 1.00 34.22 O ATOM 1322 CB ILE A 81 12.903 0.447 -1.766 1.00 60.15 C ATOM 1323 CG1 ILE A 81 13.699 -0.733 -2.329 1.00 14.12 C ATOM 1324 CG2 ILE A 81 11.711 -0.047 -0.961 1.00 31.14 C ATOM 1325 CD1 ILE A 81 14.437 -1.522 -1.271 1.00 64.51 C ATOM 0 H ILE A 81 14.476 1.722 -3.224 1.00 51.04 H new ATOM 0 HA ILE A 81 11.876 0.779 -3.635 1.00 31.34 H new ATOM 0 HB ILE A 81 13.554 1.017 -1.102 1.00 60.15 H new ATOM 0 HG12 ILE A 81 13.019 -1.399 -2.860 1.00 14.12 H new ATOM 0 HG13 ILE A 81 14.417 -0.361 -3.060 1.00 14.12 H new ATOM 0 HG21 ILE A 81 12.058 -0.697 -0.158 1.00 31.14 H new ATOM 0 HG22 ILE A 81 11.182 0.805 -0.535 1.00 31.14 H new ATOM 0 HG23 ILE A 81 11.037 -0.604 -1.613 1.00 31.14 H new ATOM 0 HD11 ILE A 81 14.979 -2.342 -1.741 1.00 64.51 H new ATOM 0 HD12 ILE A 81 15.142 -0.869 -0.756 1.00 64.51 H new ATOM 0 HD13 ILE A 81 13.723 -1.924 -0.552 1.00 64.51 H new ATOM 1337 N ASP A 82 12.132 3.540 -1.872 1.00 22.43 N ATOM 1338 CA ASP A 82 11.379 4.649 -1.298 1.00 71.05 C ATOM 1339 C ASP A 82 10.593 5.387 -2.378 1.00 34.15 C ATOM 1340 O ASP A 82 9.410 5.679 -2.206 1.00 12.33 O ATOM 1341 CB ASP A 82 12.322 5.618 -0.584 1.00 52.41 C ATOM 1342 CG ASP A 82 11.626 6.897 -0.161 1.00 53.11 C ATOM 1343 OD1 ASP A 82 10.533 6.808 0.438 1.00 43.11 O ATOM 1344 OD2 ASP A 82 12.174 7.987 -0.428 1.00 72.31 O ATOM 0 H ASP A 82 13.142 3.678 -1.885 1.00 22.43 H new ATOM 0 HA ASP A 82 10.673 4.242 -0.574 1.00 71.05 H new ATOM 0 HB2 ASP A 82 12.743 5.129 0.295 1.00 52.41 H new ATOM 0 HB3 ASP A 82 13.155 5.862 -1.243 1.00 52.41 H new ATOM 1349 N GLU A 83 11.259 5.685 -3.489 1.00 12.35 N ATOM 1350 CA GLU A 83 10.622 6.391 -4.594 1.00 53.02 C ATOM 1351 C GLU A 83 9.488 5.560 -5.189 1.00 44.10 C ATOM 1352 O GLU A 83 8.356 6.028 -5.306 1.00 52.45 O ATOM 1353 CB GLU A 83 11.650 6.721 -5.678 1.00 61.21 C ATOM 1354 CG GLU A 83 12.532 7.911 -5.339 1.00 32.14 C ATOM 1355 CD GLU A 83 11.803 9.234 -5.473 1.00 20.11 C ATOM 1356 OE1 GLU A 83 10.728 9.257 -6.109 1.00 24.41 O ATOM 1357 OE2 GLU A 83 12.307 10.246 -4.943 1.00 31.12 O ATOM 0 H GLU A 83 12.239 5.449 -3.648 1.00 12.35 H new ATOM 0 HA GLU A 83 10.204 7.320 -4.205 1.00 53.02 H new ATOM 0 HB2 GLU A 83 12.281 5.848 -5.846 1.00 61.21 H new ATOM 0 HB3 GLU A 83 11.127 6.922 -6.613 1.00 61.21 H new ATOM 0 HG2 GLU A 83 12.902 7.806 -4.319 1.00 32.14 H new ATOM 0 HG3 GLU A 83 13.403 7.912 -5.995 1.00 32.14 H new ATOM 1364 N PHE A 84 9.802 4.324 -5.563 1.00 42.34 N ATOM 1365 CA PHE A 84 8.812 3.428 -6.148 1.00 34.33 C ATOM 1366 C PHE A 84 7.761 3.031 -5.115 1.00 13.11 C ATOM 1367 O PHE A 84 6.700 2.509 -5.460 1.00 24.23 O ATOM 1368 CB PHE A 84 9.492 2.176 -6.706 1.00 50.01 C ATOM 1369 CG PHE A 84 10.110 2.383 -8.059 1.00 73.25 C ATOM 1370 CD1 PHE A 84 11.278 3.115 -8.198 1.00 70.40 C ATOM 1371 CD2 PHE A 84 9.522 1.846 -9.193 1.00 74.33 C ATOM 1372 CE1 PHE A 84 11.849 3.306 -9.442 1.00 2.40 C ATOM 1373 CE2 PHE A 84 10.088 2.034 -10.440 1.00 24.23 C ATOM 1374 CZ PHE A 84 11.253 2.766 -10.564 1.00 51.04 C ATOM 0 H PHE A 84 10.734 3.920 -5.471 1.00 42.34 H new ATOM 0 HA PHE A 84 8.316 3.957 -6.962 1.00 34.33 H new ATOM 0 HB2 PHE A 84 10.264 1.850 -6.009 1.00 50.01 H new ATOM 0 HB3 PHE A 84 8.759 1.372 -6.769 1.00 50.01 H new ATOM 0 HD1 PHE A 84 11.748 3.541 -7.324 1.00 70.40 H new ATOM 0 HD2 PHE A 84 8.611 1.274 -9.101 1.00 74.33 H new ATOM 0 HE1 PHE A 84 12.761 3.877 -9.536 1.00 2.40 H new ATOM 0 HE2 PHE A 84 9.620 1.609 -11.316 1.00 24.23 H new ATOM 0 HZ PHE A 84 11.697 2.916 -11.537 1.00 51.04 H new ATOM 1384 N LYS A 85 8.063 3.283 -3.846 1.00 31.53 N ATOM 1385 CA LYS A 85 7.146 2.953 -2.761 1.00 0.52 C ATOM 1386 C LYS A 85 6.870 1.454 -2.718 1.00 32.02 C ATOM 1387 O LYS A 85 5.717 1.024 -2.767 1.00 12.33 O ATOM 1388 CB LYS A 85 5.832 3.720 -2.926 1.00 10.43 C ATOM 1389 CG LYS A 85 6.013 5.226 -3.006 1.00 54.32 C ATOM 1390 CD LYS A 85 5.953 5.869 -1.631 1.00 14.52 C ATOM 1391 CE LYS A 85 5.808 7.380 -1.728 1.00 2.50 C ATOM 1392 NZ LYS A 85 7.087 8.036 -2.119 1.00 72.13 N ATOM 0 H LYS A 85 8.936 3.715 -3.543 1.00 31.53 H new ATOM 0 HA LYS A 85 7.615 3.245 -1.821 1.00 0.52 H new ATOM 0 HB2 LYS A 85 5.330 3.374 -3.830 1.00 10.43 H new ATOM 0 HB3 LYS A 85 5.176 3.485 -2.088 1.00 10.43 H new ATOM 0 HG2 LYS A 85 6.971 5.454 -3.474 1.00 54.32 H new ATOM 0 HG3 LYS A 85 5.238 5.653 -3.642 1.00 54.32 H new ATOM 0 HD2 LYS A 85 5.113 5.457 -1.072 1.00 14.52 H new ATOM 0 HD3 LYS A 85 6.857 5.624 -1.074 1.00 14.52 H new ATOM 0 HE2 LYS A 85 5.036 7.625 -2.458 1.00 2.50 H new ATOM 0 HE3 LYS A 85 5.476 7.775 -0.768 1.00 2.50 H new ATOM 0 HZ1 LYS A 85 7.335 8.760 -1.415 1.00 72.13 H new ATOM 0 HZ2 LYS A 85 7.843 7.323 -2.164 1.00 72.13 H new ATOM 0 HZ3 LYS A 85 6.977 8.483 -3.052 1.00 72.13 H new ATOM 1406 N ILE A 86 7.934 0.663 -2.625 1.00 13.43 N ATOM 1407 CA ILE A 86 7.804 -0.787 -2.572 1.00 64.54 C ATOM 1408 C ILE A 86 7.491 -1.261 -1.157 1.00 52.31 C ATOM 1409 O ILE A 86 8.133 -0.861 -0.186 1.00 14.34 O ATOM 1410 CB ILE A 86 9.087 -1.485 -3.062 1.00 41.05 C ATOM 1411 CG1 ILE A 86 9.532 -0.898 -4.404 1.00 23.14 C ATOM 1412 CG2 ILE A 86 8.861 -2.985 -3.183 1.00 44.32 C ATOM 1413 CD1 ILE A 86 10.852 -1.449 -4.896 1.00 61.20 C ATOM 0 H ILE A 86 8.895 1.002 -2.585 1.00 13.43 H new ATOM 0 HA ILE A 86 6.979 -1.053 -3.232 1.00 64.54 H new ATOM 0 HB ILE A 86 9.878 -1.314 -2.331 1.00 41.05 H new ATOM 0 HG12 ILE A 86 8.763 -1.097 -5.151 1.00 23.14 H new ATOM 0 HG13 ILE A 86 9.612 0.185 -4.309 1.00 23.14 H new ATOM 0 HG21 ILE A 86 9.776 -3.464 -3.530 1.00 44.32 H new ATOM 0 HG22 ILE A 86 8.586 -3.391 -2.210 1.00 44.32 H new ATOM 0 HG23 ILE A 86 8.059 -3.176 -3.896 1.00 44.32 H new ATOM 0 HD11 ILE A 86 11.105 -0.989 -5.851 1.00 61.20 H new ATOM 0 HD12 ILE A 86 11.633 -1.227 -4.168 1.00 61.20 H new ATOM 0 HD13 ILE A 86 10.771 -2.528 -5.023 1.00 61.20 H new ATOM 1425 N PRO A 87 6.481 -2.135 -1.036 1.00 20.22 N ATOM 1426 CA PRO A 87 6.060 -2.684 0.257 1.00 65.54 C ATOM 1427 C PRO A 87 7.091 -3.644 0.842 1.00 42.22 C ATOM 1428 O PRO A 87 8.017 -4.073 0.153 1.00 62.32 O ATOM 1429 CB PRO A 87 4.766 -3.430 -0.079 1.00 2.30 C ATOM 1430 CG PRO A 87 4.892 -3.777 -1.522 1.00 42.43 C ATOM 1431 CD PRO A 87 5.672 -2.655 -2.151 1.00 64.51 C ATOM 0 HA PRO A 87 5.936 -1.905 1.010 1.00 65.54 H new ATOM 0 HB2 PRO A 87 4.654 -4.324 0.535 1.00 2.30 H new ATOM 0 HB3 PRO A 87 3.891 -2.806 0.103 1.00 2.30 H new ATOM 0 HG2 PRO A 87 5.406 -4.730 -1.651 1.00 42.43 H new ATOM 0 HG3 PRO A 87 3.911 -3.879 -1.986 1.00 42.43 H new ATOM 0 HD2 PRO A 87 6.298 -3.010 -2.970 1.00 64.51 H new ATOM 0 HD3 PRO A 87 5.014 -1.889 -2.562 1.00 64.51 H new ATOM 1439 N THR A 88 6.925 -3.978 2.118 1.00 50.51 N ATOM 1440 CA THR A 88 7.841 -4.886 2.796 1.00 2.30 C ATOM 1441 C THR A 88 7.293 -6.308 2.814 1.00 15.24 C ATOM 1442 O THR A 88 6.124 -6.537 2.503 1.00 72.20 O ATOM 1443 CB THR A 88 8.112 -4.433 4.243 1.00 20.33 C ATOM 1444 OG1 THR A 88 7.463 -3.182 4.495 1.00 45.31 O ATOM 1445 CG2 THR A 88 9.606 -4.296 4.497 1.00 73.31 C ATOM 0 H THR A 88 6.164 -3.633 2.703 1.00 50.51 H new ATOM 0 HA THR A 88 8.776 -4.868 2.236 1.00 2.30 H new ATOM 0 HB THR A 88 7.713 -5.191 4.918 1.00 20.33 H new ATOM 0 HG1 THR A 88 7.639 -2.902 5.418 1.00 45.31 H new ATOM 0 HG21 THR A 88 9.772 -3.975 5.525 1.00 73.31 H new ATOM 0 HG22 THR A 88 10.093 -5.258 4.334 1.00 73.31 H new ATOM 0 HG23 THR A 88 10.025 -3.557 3.814 1.00 73.31 H new ATOM 1453 N VAL A 89 8.143 -7.261 3.182 1.00 3.31 N ATOM 1454 CA VAL A 89 7.743 -8.661 3.243 1.00 73.31 C ATOM 1455 C VAL A 89 6.467 -8.833 4.060 1.00 70.12 C ATOM 1456 O VAL A 89 5.484 -9.399 3.582 1.00 43.21 O ATOM 1457 CB VAL A 89 8.853 -9.536 3.855 1.00 73.52 C ATOM 1458 CG1 VAL A 89 8.400 -10.985 3.949 1.00 74.52 C ATOM 1459 CG2 VAL A 89 10.132 -9.421 3.039 1.00 32.05 C ATOM 0 H VAL A 89 9.114 -7.088 3.443 1.00 3.31 H new ATOM 0 HA VAL A 89 7.561 -8.983 2.218 1.00 73.31 H new ATOM 0 HB VAL A 89 9.059 -9.179 4.864 1.00 73.52 H new ATOM 0 HG11 VAL A 89 9.197 -11.588 4.384 1.00 74.52 H new ATOM 0 HG12 VAL A 89 7.512 -11.049 4.579 1.00 74.52 H new ATOM 0 HG13 VAL A 89 8.165 -11.358 2.952 1.00 74.52 H new ATOM 0 HG21 VAL A 89 10.906 -10.046 3.485 1.00 32.05 H new ATOM 0 HG22 VAL A 89 9.943 -9.752 2.018 1.00 32.05 H new ATOM 0 HG23 VAL A 89 10.465 -8.383 3.028 1.00 32.05 H new ATOM 1469 N GLU A 90 6.490 -8.340 5.294 1.00 23.22 N ATOM 1470 CA GLU A 90 5.335 -8.440 6.178 1.00 54.13 C ATOM 1471 C GLU A 90 4.076 -7.920 5.488 1.00 3.15 C ATOM 1472 O GLU A 90 3.053 -8.602 5.447 1.00 70.23 O ATOM 1473 CB GLU A 90 5.583 -7.657 7.469 1.00 74.12 C ATOM 1474 CG GLU A 90 6.791 -8.142 8.252 1.00 34.43 C ATOM 1475 CD GLU A 90 7.179 -7.196 9.372 1.00 53.24 C ATOM 1476 OE1 GLU A 90 7.796 -6.151 9.078 1.00 14.53 O ATOM 1477 OE2 GLU A 90 6.865 -7.501 10.541 1.00 12.13 O ATOM 0 H GLU A 90 7.296 -7.867 5.704 1.00 23.22 H new ATOM 0 HA GLU A 90 5.187 -9.492 6.423 1.00 54.13 H new ATOM 0 HB2 GLU A 90 5.718 -6.603 7.225 1.00 74.12 H new ATOM 0 HB3 GLU A 90 4.698 -7.727 8.102 1.00 74.12 H new ATOM 0 HG2 GLU A 90 6.577 -9.126 8.670 1.00 34.43 H new ATOM 0 HG3 GLU A 90 7.635 -8.261 7.573 1.00 34.43 H new ATOM 1484 N GLN A 91 4.162 -6.708 4.950 1.00 14.33 N ATOM 1485 CA GLN A 91 3.030 -6.096 4.264 1.00 11.42 C ATOM 1486 C GLN A 91 2.543 -6.981 3.122 1.00 55.43 C ATOM 1487 O GLN A 91 1.339 -7.151 2.926 1.00 22.30 O ATOM 1488 CB GLN A 91 3.417 -4.717 3.727 1.00 11.54 C ATOM 1489 CG GLN A 91 4.102 -3.833 4.758 1.00 53.04 C ATOM 1490 CD GLN A 91 3.393 -3.841 6.097 1.00 35.34 C ATOM 1491 OE1 GLN A 91 2.172 -3.696 6.168 1.00 72.44 O ATOM 1492 NE2 GLN A 91 4.156 -4.012 7.171 1.00 51.35 N ATOM 0 H GLN A 91 5.003 -6.131 4.976 1.00 14.33 H new ATOM 0 HA GLN A 91 2.219 -5.983 4.983 1.00 11.42 H new ATOM 0 HB2 GLN A 91 4.079 -4.843 2.871 1.00 11.54 H new ATOM 0 HB3 GLN A 91 2.521 -4.212 3.366 1.00 11.54 H new ATOM 0 HG2 GLN A 91 5.130 -4.169 4.894 1.00 53.04 H new ATOM 0 HG3 GLN A 91 4.148 -2.811 4.382 1.00 53.04 H new ATOM 0 HE21 GLN A 91 5.164 -4.128 7.067 1.00 51.35 H new ATOM 0 HE22 GLN A 91 3.734 -4.027 8.099 1.00 51.35 H new ATOM 1501 N TRP A 92 3.484 -7.540 2.371 1.00 61.31 N ATOM 1502 CA TRP A 92 3.150 -8.408 1.247 1.00 51.20 C ATOM 1503 C TRP A 92 2.397 -9.646 1.720 1.00 21.33 C ATOM 1504 O TRP A 92 1.457 -10.101 1.068 1.00 63.20 O ATOM 1505 CB TRP A 92 4.419 -8.822 0.501 1.00 42.45 C ATOM 1506 CG TRP A 92 4.145 -9.583 -0.761 1.00 51.53 C ATOM 1507 CD1 TRP A 92 3.463 -9.135 -1.857 1.00 2.34 C ATOM 1508 CD2 TRP A 92 4.545 -10.925 -1.056 1.00 74.33 C ATOM 1509 NE1 TRP A 92 3.415 -10.118 -2.815 1.00 30.31 N ATOM 1510 CE2 TRP A 92 4.072 -11.226 -2.349 1.00 32.23 C ATOM 1511 CE3 TRP A 92 5.257 -11.902 -0.356 1.00 4.13 C ATOM 1512 CZ2 TRP A 92 4.289 -12.462 -2.951 1.00 71.52 C ATOM 1513 CZ3 TRP A 92 5.472 -13.128 -0.955 1.00 32.50 C ATOM 1514 CH2 TRP A 92 4.990 -13.400 -2.242 1.00 52.04 C ATOM 0 H TRP A 92 4.485 -7.408 2.519 1.00 61.31 H new ATOM 0 HA TRP A 92 2.504 -7.850 0.569 1.00 51.20 H new ATOM 0 HB2 TRP A 92 4.998 -7.930 0.261 1.00 42.45 H new ATOM 0 HB3 TRP A 92 5.035 -9.434 1.159 1.00 42.45 H new ATOM 0 HD1 TRP A 92 3.026 -8.152 -1.955 1.00 2.34 H new ATOM 0 HE1 TRP A 92 2.963 -10.036 -3.726 1.00 30.31 H new ATOM 0 HE3 TRP A 92 5.633 -11.702 0.637 1.00 4.13 H new ATOM 0 HZ2 TRP A 92 3.917 -12.674 -3.943 1.00 71.52 H new ATOM 0 HZ3 TRP A 92 6.021 -13.890 -0.422 1.00 32.50 H new ATOM 0 HH2 TRP A 92 5.175 -14.368 -2.683 1.00 52.04 H new ATOM 1525 N LYS A 93 2.815 -10.188 2.859 1.00 22.32 N ATOM 1526 CA LYS A 93 2.180 -11.374 3.421 1.00 14.15 C ATOM 1527 C LYS A 93 0.739 -11.078 3.828 1.00 25.21 C ATOM 1528 O LYS A 93 -0.187 -11.776 3.417 1.00 75.15 O ATOM 1529 CB LYS A 93 2.970 -11.876 4.632 1.00 13.32 C ATOM 1530 CG LYS A 93 4.410 -12.237 4.311 1.00 33.15 C ATOM 1531 CD LYS A 93 4.530 -13.673 3.830 1.00 21.32 C ATOM 1532 CE LYS A 93 4.709 -13.742 2.321 1.00 34.42 C ATOM 1533 NZ LYS A 93 3.987 -14.903 1.730 1.00 52.01 N ATOM 0 H LYS A 93 3.592 -9.824 3.411 1.00 22.32 H new ATOM 0 HA LYS A 93 2.171 -12.149 2.654 1.00 14.15 H new ATOM 0 HB2 LYS A 93 2.960 -11.108 5.405 1.00 13.32 H new ATOM 0 HB3 LYS A 93 2.468 -12.751 5.045 1.00 13.32 H new ATOM 0 HG2 LYS A 93 4.793 -11.562 3.545 1.00 33.15 H new ATOM 0 HG3 LYS A 93 5.028 -12.096 5.198 1.00 33.15 H new ATOM 0 HD2 LYS A 93 5.377 -14.152 4.320 1.00 21.32 H new ATOM 0 HD3 LYS A 93 3.638 -14.230 4.118 1.00 21.32 H new ATOM 0 HE2 LYS A 93 4.345 -12.819 1.869 1.00 34.42 H new ATOM 0 HE3 LYS A 93 5.770 -13.815 2.084 1.00 34.42 H new ATOM 0 HZ1 LYS A 93 4.254 -15.006 0.730 1.00 52.01 H new ATOM 0 HZ2 LYS A 93 4.240 -15.769 2.247 1.00 52.01 H new ATOM 0 HZ3 LYS A 93 2.961 -14.746 1.800 1.00 52.01 H new ATOM 1547 N ASP A 94 0.559 -10.039 4.636 1.00 23.53 N ATOM 1548 CA ASP A 94 -0.769 -9.650 5.096 1.00 4.13 C ATOM 1549 C ASP A 94 -1.679 -9.324 3.916 1.00 23.30 C ATOM 1550 O ASP A 94 -2.871 -9.629 3.938 1.00 41.33 O ATOM 1551 CB ASP A 94 -0.674 -8.443 6.031 1.00 32.34 C ATOM 1552 CG ASP A 94 -2.004 -8.106 6.677 1.00 43.41 C ATOM 1553 OD1 ASP A 94 -2.336 -8.724 7.709 1.00 22.52 O ATOM 1554 OD2 ASP A 94 -2.713 -7.223 6.149 1.00 3.12 O ATOM 0 H ASP A 94 1.316 -9.451 4.986 1.00 23.53 H new ATOM 0 HA ASP A 94 -1.199 -10.490 5.642 1.00 4.13 H new ATOM 0 HB2 ASP A 94 0.063 -8.646 6.808 1.00 32.34 H new ATOM 0 HB3 ASP A 94 -0.316 -7.580 5.470 1.00 32.34 H new ATOM 1559 N GLN A 95 -1.108 -8.703 2.889 1.00 62.21 N ATOM 1560 CA GLN A 95 -1.869 -8.335 1.701 1.00 42.02 C ATOM 1561 C GLN A 95 -2.381 -9.575 0.976 1.00 64.40 C ATOM 1562 O GLN A 95 -3.578 -9.709 0.719 1.00 3.52 O ATOM 1563 CB GLN A 95 -1.005 -7.497 0.756 1.00 75.32 C ATOM 1564 CG GLN A 95 -0.791 -6.070 1.232 1.00 3.15 C ATOM 1565 CD GLN A 95 0.530 -5.491 0.764 1.00 13.31 C ATOM 1566 OE1 GLN A 95 1.273 -4.898 1.546 1.00 2.14 O ATOM 1567 NE2 GLN A 95 0.829 -5.660 -0.519 1.00 12.44 N ATOM 0 H GLN A 95 -0.122 -8.444 2.856 1.00 62.21 H new ATOM 0 HA GLN A 95 -2.727 -7.743 2.019 1.00 42.02 H new ATOM 0 HB2 GLN A 95 -0.036 -7.981 0.638 1.00 75.32 H new ATOM 0 HB3 GLN A 95 -1.473 -7.477 -0.228 1.00 75.32 H new ATOM 0 HG2 GLN A 95 -1.606 -5.444 0.870 1.00 3.15 H new ATOM 0 HG3 GLN A 95 -0.829 -6.045 2.321 1.00 3.15 H new ATOM 0 HE21 GLN A 95 0.183 -6.158 -1.132 1.00 12.44 H new ATOM 0 HE22 GLN A 95 1.704 -5.292 -0.892 1.00 12.44 H new ATOM 1576 N THR A 96 -1.466 -10.483 0.647 1.00 2.54 N ATOM 1577 CA THR A 96 -1.824 -11.711 -0.049 1.00 70.53 C ATOM 1578 C THR A 96 -2.806 -12.541 0.769 1.00 32.45 C ATOM 1579 O THR A 96 -3.787 -13.063 0.238 1.00 43.41 O ATOM 1580 CB THR A 96 -0.580 -12.566 -0.357 1.00 42.32 C ATOM 1581 OG1 THR A 96 0.376 -12.438 0.701 1.00 23.21 O ATOM 1582 CG2 THR A 96 0.054 -12.143 -1.674 1.00 23.21 C ATOM 0 H THR A 96 -0.471 -10.389 0.852 1.00 2.54 H new ATOM 0 HA THR A 96 -2.295 -11.416 -0.987 1.00 70.53 H new ATOM 0 HB THR A 96 -0.893 -13.607 -0.440 1.00 42.32 H new ATOM 0 HG1 THR A 96 0.973 -11.684 0.513 1.00 23.21 H new ATOM 0 HG21 THR A 96 0.930 -12.760 -1.871 1.00 23.21 H new ATOM 0 HG22 THR A 96 -0.667 -12.269 -2.482 1.00 23.21 H new ATOM 0 HG23 THR A 96 0.353 -11.097 -1.614 1.00 23.21 H new ATOM 1941 N PHE B -7 8.364 -14.949 6.238 1.00 34.23 N ATOM 1942 CA PHE B -7 9.751 -15.134 5.830 1.00 43.41 C ATOM 1943 C PHE B -7 10.705 -14.524 6.853 1.00 0.21 C ATOM 1944 O PHE B -7 11.344 -15.239 7.625 1.00 33.24 O ATOM 1945 CB PHE B -7 9.989 -14.504 4.456 1.00 53.32 C ATOM 1946 CG PHE B -7 9.313 -15.239 3.334 1.00 20.53 C ATOM 1947 CD1 PHE B -7 7.932 -15.248 3.227 1.00 74.02 C ATOM 1948 CD2 PHE B -7 10.059 -15.922 2.387 1.00 21.11 C ATOM 1949 CE1 PHE B -7 7.307 -15.925 2.196 1.00 24.02 C ATOM 1950 CE2 PHE B -7 9.440 -16.601 1.354 1.00 44.41 C ATOM 1951 CZ PHE B -7 8.063 -16.601 1.258 1.00 73.01 C ATOM 0 H1 PHE B -7 7.743 -15.513 5.623 1.00 34.23 H new ATOM 0 H2 PHE B -7 8.248 -15.258 7.224 1.00 34.23 H new ATOM 0 H3 PHE B -7 8.110 -13.944 6.158 1.00 34.23 H new ATOM 0 HA PHE B -7 9.946 -16.205 5.770 1.00 43.41 H new ATOM 0 HB2 PHE B -7 9.633 -13.474 4.471 1.00 53.32 H new ATOM 0 HB3 PHE B -7 11.061 -14.468 4.262 1.00 53.32 H new ATOM 0 HD1 PHE B -7 7.337 -14.720 3.957 1.00 74.02 H new ATOM 0 HD2 PHE B -7 11.137 -15.924 2.457 1.00 21.11 H new ATOM 0 HE1 PHE B -7 6.229 -15.925 2.124 1.00 24.02 H new ATOM 0 HE2 PHE B -7 10.033 -17.131 0.623 1.00 44.41 H new ATOM 0 HZ PHE B -7 7.577 -17.129 0.451 1.00 73.01 H new ATOM 1961 N ILE B -6 10.796 -13.198 6.852 1.00 71.25 N ATOM 1962 CA ILE B -6 11.671 -12.492 7.779 1.00 14.13 C ATOM 1963 C ILE B -6 13.088 -13.053 7.734 1.00 33.44 C ATOM 1964 O ILE B -6 13.484 -13.872 8.564 1.00 3.22 O ATOM 1965 CB ILE B -6 11.143 -12.575 9.224 1.00 43.51 C ATOM 1966 CG1 ILE B -6 9.806 -11.841 9.344 1.00 33.44 C ATOM 1967 CG2 ILE B -6 12.161 -11.993 10.193 1.00 24.15 C ATOM 1968 CD1 ILE B -6 8.630 -12.639 8.824 1.00 24.01 C ATOM 0 H ILE B -6 10.274 -12.591 6.219 1.00 71.25 H new ATOM 0 HA ILE B -6 11.687 -11.448 7.465 1.00 14.13 H new ATOM 0 HB ILE B -6 10.985 -13.623 9.478 1.00 43.51 H new ATOM 0 HG12 ILE B -6 9.631 -11.591 10.390 1.00 33.44 H new ATOM 0 HG13 ILE B -6 9.867 -10.900 8.797 1.00 33.44 H new ATOM 0 HG21 ILE B -6 11.774 -12.058 11.210 1.00 24.15 H new ATOM 0 HG22 ILE B -6 13.093 -12.554 10.122 1.00 24.15 H new ATOM 0 HG23 ILE B -6 12.347 -10.949 9.942 1.00 24.15 H new ATOM 0 HD11 ILE B -6 7.716 -12.057 8.941 1.00 24.01 H new ATOM 0 HD12 ILE B -6 8.783 -12.867 7.769 1.00 24.01 H new ATOM 0 HD13 ILE B -6 8.543 -13.568 9.387 1.00 24.01 H new ATOM 1980 N PRO B -5 13.871 -12.603 6.743 1.00 24.14 N ATOM 1981 CA PRO B -5 15.258 -13.045 6.568 1.00 71.44 C ATOM 1982 C PRO B -5 16.177 -12.521 7.665 1.00 3.22 C ATOM 1983 O PRO B -5 16.352 -11.312 7.816 1.00 2.33 O ATOM 1984 CB PRO B -5 15.650 -12.452 5.212 1.00 4.13 C ATOM 1985 CG PRO B -5 14.760 -11.269 5.045 1.00 62.14 C ATOM 1986 CD PRO B -5 13.465 -11.627 5.719 1.00 74.14 C ATOM 0 HA PRO B -5 15.349 -14.130 6.617 1.00 71.44 H new ATOM 0 HB2 PRO B -5 16.701 -12.163 5.195 1.00 4.13 H new ATOM 0 HB3 PRO B -5 15.505 -13.173 4.408 1.00 4.13 H new ATOM 0 HG2 PRO B -5 15.202 -10.381 5.496 1.00 62.14 H new ATOM 0 HG3 PRO B -5 14.602 -11.045 3.990 1.00 62.14 H new ATOM 0 HD2 PRO B -5 12.989 -10.753 6.163 1.00 74.14 H new ATOM 0 HD3 PRO B -5 12.751 -12.056 5.016 1.00 74.14 H new ATOM 1994 N SER B -4 16.763 -13.438 8.429 1.00 50.33 N ATOM 1995 CA SER B -4 17.662 -13.067 9.515 1.00 43.10 C ATOM 1996 C SER B -4 19.111 -13.374 9.149 1.00 4.42 C ATOM 1997 O SER B -4 20.016 -13.218 9.969 1.00 3.03 O ATOM 1998 CB SER B -4 17.280 -13.809 10.797 1.00 3.54 C ATOM 1999 OG SER B -4 18.235 -13.584 11.820 1.00 64.51 O ATOM 0 H SER B -4 16.631 -14.443 8.316 1.00 50.33 H new ATOM 0 HA SER B -4 17.567 -11.994 9.682 1.00 43.10 H new ATOM 0 HB2 SER B -4 16.297 -13.478 11.133 1.00 3.54 H new ATOM 0 HB3 SER B -4 17.205 -14.877 10.594 1.00 3.54 H new ATOM 0 HG SER B -4 19.084 -13.305 11.419 1.00 64.51 H new ATOM 2005 N ARG B -3 19.323 -13.810 7.912 1.00 60.30 N ATOM 2006 CA ARG B -3 20.661 -14.140 7.437 1.00 62.43 C ATOM 2007 C ARG B -3 21.631 -12.992 7.702 1.00 71.51 C ATOM 2008 O ARG B -3 21.231 -11.855 7.951 1.00 4.05 O ATOM 2009 CB ARG B -3 20.630 -14.460 5.941 1.00 32.41 C ATOM 2010 CG ARG B -3 20.735 -15.945 5.634 1.00 70.24 C ATOM 2011 CD ARG B -3 19.469 -16.688 6.032 1.00 2.32 C ATOM 2012 NE ARG B -3 18.311 -16.249 5.259 1.00 73.14 N ATOM 2013 CZ ARG B -3 17.145 -16.886 5.256 1.00 60.03 C ATOM 2014 NH1 ARG B -3 16.984 -17.984 5.982 1.00 53.51 N ATOM 2015 NH2 ARG B -3 16.137 -16.425 4.526 1.00 45.13 N ATOM 0 H ARG B -3 18.585 -13.943 7.220 1.00 60.30 H new ATOM 0 HA ARG B -3 21.006 -15.018 7.983 1.00 62.43 H new ATOM 0 HB2 ARG B -3 19.704 -14.074 5.515 1.00 32.41 H new ATOM 0 HB3 ARG B -3 21.450 -13.937 5.449 1.00 32.41 H new ATOM 0 HG2 ARG B -3 20.921 -16.085 4.569 1.00 70.24 H new ATOM 0 HG3 ARG B -3 21.588 -16.368 6.165 1.00 70.24 H new ATOM 0 HD2 ARG B -3 19.616 -17.758 5.888 1.00 2.32 H new ATOM 0 HD3 ARG B -3 19.276 -16.533 7.094 1.00 2.32 H new ATOM 0 HE ARG B -3 18.402 -15.407 4.690 1.00 73.14 H new ATOM 0 HH11 ARG B -3 17.756 -18.341 6.544 1.00 53.51 H new ATOM 0 HH12 ARG B -3 16.088 -18.471 5.978 1.00 53.51 H new ATOM 0 HH21 ARG B -3 16.257 -15.581 3.966 1.00 45.13 H new ATOM 0 HH22 ARG B -3 15.242 -16.915 4.525 1.00 45.13 H new ATOM 2029 N PRO B -2 22.936 -13.296 7.647 1.00 3.35 N ATOM 2030 CA PRO B -2 23.990 -12.303 7.879 1.00 71.11 C ATOM 2031 C PRO B -2 24.080 -11.280 6.752 1.00 63.12 C ATOM 2032 O PRO B -2 24.764 -10.264 6.876 1.00 32.42 O ATOM 2033 CB PRO B -2 25.265 -13.147 7.939 1.00 65.24 C ATOM 2034 CG PRO B -2 24.950 -14.368 7.145 1.00 53.54 C ATOM 2035 CD PRO B -2 23.484 -14.631 7.355 1.00 3.12 C ATOM 0 HA PRO B -2 23.808 -11.717 8.780 1.00 71.11 H new ATOM 0 HB2 PRO B -2 26.115 -12.610 7.518 1.00 65.24 H new ATOM 0 HB3 PRO B -2 25.524 -13.400 8.967 1.00 65.24 H new ATOM 0 HG2 PRO B -2 25.172 -14.215 6.089 1.00 53.54 H new ATOM 0 HG3 PRO B -2 25.550 -15.215 7.477 1.00 53.54 H new ATOM 0 HD2 PRO B -2 23.024 -15.069 6.470 1.00 3.12 H new ATOM 0 HD3 PRO B -2 23.314 -15.324 8.179 1.00 3.12 H new ATOM 2043 N ALA B -1 23.386 -11.555 5.652 1.00 10.14 N ATOM 2044 CA ALA B -1 23.386 -10.657 4.504 1.00 3.13 C ATOM 2045 C ALA B -1 24.780 -10.545 3.895 1.00 73.31 C ATOM 2046 O ALA B -1 25.529 -9.608 4.167 1.00 4.54 O ATOM 2047 CB ALA B -1 22.874 -9.283 4.909 1.00 55.30 C ATOM 0 H ALA B -1 22.817 -12.393 5.532 1.00 10.14 H new ATOM 0 HA ALA B -1 22.720 -11.073 3.748 1.00 3.13 H new ATOM 0 HB1 ALA B -1 22.879 -8.623 4.042 1.00 55.30 H new ATOM 0 HB2 ALA B -1 21.857 -9.372 5.291 1.00 55.30 H new ATOM 0 HB3 ALA B -1 23.518 -8.869 5.685 1.00 55.30 H new ATOM 2053 N PRO B 0 25.137 -11.524 3.050 1.00 22.25 N ATOM 2054 CA PRO B 0 26.443 -11.558 2.385 1.00 20.02 C ATOM 2055 C PRO B 0 26.586 -10.464 1.333 1.00 72.15 C ATOM 2056 O PRO B 0 25.639 -10.158 0.607 1.00 21.32 O ATOM 2057 CB PRO B 0 26.470 -12.940 1.727 1.00 2.14 C ATOM 2058 CG PRO B 0 25.037 -13.293 1.529 1.00 73.24 C ATOM 2059 CD PRO B 0 24.294 -12.673 2.680 1.00 70.13 C ATOM 0 HA PRO B 0 27.261 -11.388 3.085 1.00 20.02 H new ATOM 0 HB2 PRO B 0 27.007 -12.916 0.779 1.00 2.14 H new ATOM 0 HB3 PRO B 0 26.974 -13.670 2.360 1.00 2.14 H new ATOM 0 HG2 PRO B 0 24.669 -12.911 0.576 1.00 73.24 H new ATOM 0 HG3 PRO B 0 24.900 -14.374 1.513 1.00 73.24 H new ATOM 0 HD2 PRO B 0 23.292 -12.359 2.389 1.00 70.13 H new ATOM 0 HD3 PRO B 0 24.181 -13.372 3.509 1.00 70.13 H new ATOM 2067 N LYS B 1 27.775 -9.877 1.253 1.00 23.24 N ATOM 2068 CA LYS B 1 28.044 -8.818 0.288 1.00 13.11 C ATOM 2069 C LYS B 1 28.486 -9.401 -1.050 1.00 42.32 C ATOM 2070 O LYS B 1 28.938 -10.543 -1.138 1.00 55.24 O ATOM 2071 CB LYS B 1 29.119 -7.871 0.825 1.00 65.10 C ATOM 2072 CG LYS B 1 28.575 -6.788 1.740 1.00 30.23 C ATOM 2073 CD LYS B 1 29.614 -5.714 2.012 1.00 1.44 C ATOM 2074 CE LYS B 1 30.469 -6.058 3.222 1.00 32.35 C ATOM 2075 NZ LYS B 1 29.711 -5.912 4.496 1.00 23.12 N ATOM 0 H LYS B 1 28.569 -10.117 1.846 1.00 23.24 H new ATOM 0 HA LYS B 1 27.121 -8.259 0.133 1.00 13.11 H new ATOM 0 HB2 LYS B 1 29.865 -8.452 1.367 1.00 65.10 H new ATOM 0 HB3 LYS B 1 29.630 -7.402 -0.015 1.00 65.10 H new ATOM 0 HG2 LYS B 1 27.693 -6.336 1.286 1.00 30.23 H new ATOM 0 HG3 LYS B 1 28.255 -7.233 2.682 1.00 30.23 H new ATOM 0 HD2 LYS B 1 30.252 -5.594 1.137 1.00 1.44 H new ATOM 0 HD3 LYS B 1 29.116 -4.758 2.177 1.00 1.44 H new ATOM 0 HE2 LYS B 1 30.832 -7.082 3.131 1.00 32.35 H new ATOM 0 HE3 LYS B 1 31.345 -5.410 3.244 1.00 32.35 H new ATOM 0 HZ1 LYS B 1 30.378 -5.853 5.292 1.00 23.12 H new ATOM 0 HZ2 LYS B 1 29.136 -5.046 4.461 1.00 23.12 H new ATOM 0 HZ3 LYS B 1 29.089 -6.735 4.626 1.00 23.12 H new ATOM 2089 N PRO B 2 28.356 -8.599 -2.118 1.00 4.03 N ATOM 2090 CA PRO B 2 28.740 -9.014 -3.470 1.00 54.24 C ATOM 2091 C PRO B 2 30.250 -9.145 -3.630 1.00 64.43 C ATOM 2092 O PRO B 2 31.029 -8.696 -2.789 1.00 63.33 O ATOM 2093 CB PRO B 2 28.205 -7.883 -4.353 1.00 30.10 C ATOM 2094 CG PRO B 2 28.151 -6.695 -3.455 1.00 74.43 C ATOM 2095 CD PRO B 2 27.826 -7.226 -2.086 1.00 41.41 C ATOM 0 HA PRO B 2 28.342 -9.997 -3.723 1.00 54.24 H new ATOM 0 HB2 PRO B 2 28.858 -7.704 -5.207 1.00 30.10 H new ATOM 0 HB3 PRO B 2 27.219 -8.124 -4.751 1.00 30.10 H new ATOM 0 HG2 PRO B 2 29.103 -6.164 -3.452 1.00 74.43 H new ATOM 0 HG3 PRO B 2 27.393 -5.987 -3.789 1.00 74.43 H new ATOM 0 HD2 PRO B 2 28.296 -6.632 -1.302 1.00 41.41 H new ATOM 0 HD3 PRO B 2 26.753 -7.214 -1.895 1.00 41.41 H new ATOM 2103 N PRO B 3 30.677 -9.775 -4.735 1.00 73.22 N ATOM 2104 CA PRO B 3 32.098 -9.979 -5.031 1.00 72.35 C ATOM 2105 C PRO B 3 32.810 -8.677 -5.380 1.00 61.05 C ATOM 2106 O PRO B 3 32.725 -8.195 -6.510 1.00 71.30 O ATOM 2107 CB PRO B 3 32.077 -10.918 -6.240 1.00 53.15 C ATOM 2108 CG PRO B 3 30.761 -10.666 -6.892 1.00 61.45 C ATOM 2109 CD PRO B 3 29.804 -10.336 -5.781 1.00 3.05 C ATOM 0 HA PRO B 3 32.640 -10.378 -4.173 1.00 72.35 H new ATOM 0 HB2 PRO B 3 32.903 -10.707 -6.920 1.00 53.15 H new ATOM 0 HB3 PRO B 3 32.174 -11.960 -5.934 1.00 53.15 H new ATOM 0 HG2 PRO B 3 30.830 -9.844 -7.605 1.00 61.45 H new ATOM 0 HG3 PRO B 3 30.427 -11.542 -7.447 1.00 61.45 H new ATOM 0 HD2 PRO B 3 29.048 -9.619 -6.101 1.00 3.05 H new ATOM 0 HD3 PRO B 3 29.274 -11.222 -5.430 1.00 3.05 H new