USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 554 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 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.218 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 76:sc= 0.388 USER MOD Single : A 15 MET CE :methyl -130:sc= -1.16 (180deg=-1.94) USER MOD Single : A 18 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.57) USER MOD Single : A 19 ASN : amide:sc= -5.72! C(o=-5.7!,f=-5.3!) USER MOD Single : A 23 LYS NZ :NH3+ -154:sc= -0.0747 (180deg=-0.669) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0289 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 31 TYR OH : rot 136:sc= -3.97 USER MOD Single : A 32 GLN :FLIP amide:sc= -0.156 F(o=-1.3,f=-0.16) USER MOD Single : A 35 MET CE :methyl -160:sc= -0.677 (180deg=-1.45) USER MOD Single : A 41 TYR OH : rot 30:sc= 0 USER MOD Single : A 44 ASN : amide:sc=-0.00903 K(o=-0.009,f=-1.1!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc=-0.00415 K(o=-0.0041,f=-1.2) USER MOD Single : A 49 GLN :FLIP amide:sc= -1.46! C(o=-4.6!,f=-1.5!) USER MOD Single : A 50 ASN : amide:sc= -0.0436 X(o=-0.044,f=0) USER MOD Single : A 51 SER OG : rot 56:sc= 1.09 USER MOD Single : A 54 HIS : no HE2:sc= -1.86! C(o=-1.9!,f=-3.3!) USER MOD Single : A 55 ASN : amide:sc= -1.67 K(o=-1.7,f=-3.3!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.68 K(o=-1.7,f=-3.3!) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 177:sc= -2.87! (180deg=-3.05!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0489 USER MOD ----------------------------------------------------------------- ATOM 77 N PRO A 5 -11.771 13.525 1.542 1.00 0.59 N ATOM 78 CA PRO A 5 -10.758 14.025 2.519 1.00 0.58 C ATOM 79 C PRO A 5 -9.446 14.440 1.823 1.00 0.56 C ATOM 80 O PRO A 5 -8.989 13.763 0.925 1.00 0.67 O ATOM 81 CB PRO A 5 -10.538 12.816 3.429 1.00 0.62 C ATOM 82 CG PRO A 5 -10.732 11.645 2.528 1.00 0.73 C ATOM 83 CD PRO A 5 -11.842 12.051 1.553 1.00 0.58 C ATOM 0 HA PRO A 5 -11.088 14.917 3.051 1.00 0.58 H new ATOM 0 HB2 PRO A 5 -9.539 12.822 3.866 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -11.248 12.805 4.256 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -9.812 11.404 1.995 1.00 0.73 H new ATOM 0 HG3 PRO A 5 -11.014 10.758 3.095 1.00 0.73 H new ATOM 0 HD2 PRO A 5 -11.676 11.634 0.560 1.00 0.58 H new ATOM 0 HD3 PRO A 5 -12.818 11.699 1.887 1.00 0.58 H new ATOM 91 N PRO A 6 -8.837 15.540 2.215 1.00 0.55 N ATOM 92 CA PRO A 6 -7.565 16.022 1.594 1.00 0.57 C ATOM 93 C PRO A 6 -6.569 14.900 1.267 1.00 0.51 C ATOM 94 O PRO A 6 -5.706 15.061 0.427 1.00 0.70 O ATOM 95 CB PRO A 6 -6.989 16.950 2.665 1.00 0.67 C ATOM 96 CG PRO A 6 -8.185 17.531 3.345 1.00 0.84 C ATOM 97 CD PRO A 6 -9.280 16.457 3.287 1.00 0.68 C ATOM 0 HA PRO A 6 -7.751 16.498 0.631 1.00 0.57 H new ATOM 0 HB2 PRO A 6 -6.361 16.402 3.368 1.00 0.67 H new ATOM 0 HB3 PRO A 6 -6.368 17.729 2.222 1.00 0.67 H new ATOM 0 HG2 PRO A 6 -7.955 17.796 4.377 1.00 0.84 H new ATOM 0 HG3 PRO A 6 -8.510 18.444 2.847 1.00 0.84 H new ATOM 0 HD2 PRO A 6 -9.378 15.937 4.240 1.00 0.68 H new ATOM 0 HD3 PRO A 6 -10.253 16.893 3.060 1.00 0.68 H new ATOM 105 N TYR A 7 -6.659 13.779 1.927 1.00 0.42 N ATOM 106 CA TYR A 7 -5.691 12.678 1.649 1.00 0.36 C ATOM 107 C TYR A 7 -5.790 12.247 0.185 1.00 0.34 C ATOM 108 O TYR A 7 -6.864 12.102 -0.363 1.00 0.36 O ATOM 109 CB TYR A 7 -5.999 11.480 2.552 1.00 0.34 C ATOM 110 CG TYR A 7 -6.375 11.962 3.936 1.00 0.37 C ATOM 111 CD1 TYR A 7 -5.593 12.922 4.594 1.00 1.10 C ATOM 112 CD2 TYR A 7 -7.514 11.445 4.564 1.00 1.12 C ATOM 113 CE1 TYR A 7 -5.953 13.360 5.875 1.00 1.11 C ATOM 114 CE2 TYR A 7 -7.873 11.883 5.841 1.00 1.15 C ATOM 115 CZ TYR A 7 -7.094 12.842 6.497 1.00 0.47 C ATOM 116 OH TYR A 7 -7.449 13.274 7.759 1.00 0.54 O ATOM 0 H TYR A 7 -7.356 13.577 2.643 1.00 0.42 H new ATOM 0 HA TYR A 7 -4.682 13.038 1.849 1.00 0.36 H new ATOM 0 HB2 TYR A 7 -6.814 10.894 2.128 1.00 0.34 H new ATOM 0 HB3 TYR A 7 -5.131 10.824 2.609 1.00 0.34 H new ATOM 0 HD1 TYR A 7 -4.713 13.324 4.113 1.00 1.10 H new ATOM 0 HD2 TYR A 7 -8.117 10.705 4.060 1.00 1.12 H new ATOM 0 HE1 TYR A 7 -5.349 14.098 6.383 1.00 1.11 H new ATOM 0 HE2 TYR A 7 -8.752 11.481 6.322 1.00 1.15 H new ATOM 0 HH TYR A 7 -8.267 12.815 8.044 1.00 0.54 H new ATOM 126 N SER A 8 -4.668 12.026 -0.444 1.00 0.35 N ATOM 127 CA SER A 8 -4.675 11.586 -1.866 1.00 0.38 C ATOM 128 C SER A 8 -4.883 10.072 -1.918 1.00 0.32 C ATOM 129 O SER A 8 -4.901 9.404 -0.903 1.00 0.30 O ATOM 130 CB SER A 8 -3.336 11.937 -2.518 1.00 0.46 C ATOM 131 OG SER A 8 -2.347 11.012 -2.083 1.00 1.39 O ATOM 0 H SER A 8 -3.742 12.132 -0.030 1.00 0.35 H new ATOM 0 HA SER A 8 -5.480 12.089 -2.402 1.00 0.38 H new ATOM 0 HB2 SER A 8 -3.427 11.906 -3.604 1.00 0.46 H new ATOM 0 HB3 SER A 8 -3.043 12.953 -2.252 1.00 0.46 H new ATOM 0 HG SER A 8 -1.488 11.232 -2.500 1.00 1.39 H new ATOM 137 N TYR A 9 -5.040 9.524 -3.089 1.00 0.34 N ATOM 138 CA TYR A 9 -5.245 8.053 -3.201 1.00 0.34 C ATOM 139 C TYR A 9 -4.001 7.332 -2.675 1.00 0.35 C ATOM 140 O TYR A 9 -4.092 6.303 -2.035 1.00 0.36 O ATOM 141 CB TYR A 9 -5.481 7.686 -4.667 1.00 0.39 C ATOM 142 CG TYR A 9 -6.827 8.226 -5.094 1.00 0.39 C ATOM 143 CD1 TYR A 9 -8.002 7.661 -4.581 1.00 1.21 C ATOM 144 CD2 TYR A 9 -6.904 9.298 -5.994 1.00 1.32 C ATOM 145 CE1 TYR A 9 -9.249 8.163 -4.968 1.00 1.23 C ATOM 146 CE2 TYR A 9 -8.152 9.800 -6.382 1.00 1.32 C ATOM 147 CZ TYR A 9 -9.325 9.233 -5.868 1.00 0.44 C ATOM 148 OH TYR A 9 -10.555 9.729 -6.248 1.00 0.50 O ATOM 0 H TYR A 9 -5.035 10.031 -3.974 1.00 0.34 H new ATOM 0 HA TYR A 9 -6.112 7.752 -2.613 1.00 0.34 H new ATOM 0 HB2 TYR A 9 -4.692 8.103 -5.292 1.00 0.39 H new ATOM 0 HB3 TYR A 9 -5.451 6.604 -4.795 1.00 0.39 H new ATOM 0 HD1 TYR A 9 -7.945 6.837 -3.886 1.00 1.21 H new ATOM 0 HD2 TYR A 9 -6.000 9.737 -6.389 1.00 1.32 H new ATOM 0 HE1 TYR A 9 -10.154 7.725 -4.572 1.00 1.23 H new ATOM 0 HE2 TYR A 9 -8.210 10.624 -7.077 1.00 1.32 H new ATOM 0 HH TYR A 9 -10.429 10.471 -6.876 1.00 0.50 H new ATOM 158 N ILE A 10 -2.838 7.864 -2.940 1.00 0.38 N ATOM 159 CA ILE A 10 -1.584 7.213 -2.458 1.00 0.42 C ATOM 160 C ILE A 10 -1.505 7.309 -0.928 1.00 0.38 C ATOM 161 O ILE A 10 -1.106 6.377 -0.260 1.00 0.39 O ATOM 162 CB ILE A 10 -0.380 7.945 -3.060 1.00 0.50 C ATOM 163 CG1 ILE A 10 -0.425 7.884 -4.595 1.00 0.61 C ATOM 164 CG2 ILE A 10 0.920 7.313 -2.558 1.00 0.51 C ATOM 165 CD1 ILE A 10 -0.499 6.434 -5.094 1.00 0.96 C ATOM 0 H ILE A 10 -2.701 8.724 -3.471 1.00 0.38 H new ATOM 0 HA ILE A 10 -1.581 6.166 -2.759 1.00 0.42 H new ATOM 0 HB ILE A 10 -0.419 8.989 -2.748 1.00 0.50 H new ATOM 0 HG12 ILE A 10 -1.289 8.440 -4.958 1.00 0.61 H new ATOM 0 HG13 ILE A 10 0.461 8.368 -5.006 1.00 0.61 H new ATOM 0 HG21 ILE A 10 1.771 7.839 -2.991 1.00 0.51 H new ATOM 0 HG22 ILE A 10 0.963 7.385 -1.471 1.00 0.51 H new ATOM 0 HG23 ILE A 10 0.953 6.265 -2.854 1.00 0.51 H new ATOM 0 HD11 ILE A 10 -0.530 6.425 -6.184 1.00 0.96 H new ATOM 0 HD12 ILE A 10 0.379 5.886 -4.751 1.00 0.96 H new ATOM 0 HD13 ILE A 10 -1.399 5.960 -4.702 1.00 0.96 H new ATOM 177 N ALA A 11 -1.865 8.435 -0.372 1.00 0.36 N ATOM 178 CA ALA A 11 -1.792 8.603 1.112 1.00 0.36 C ATOM 179 C ALA A 11 -2.809 7.696 1.805 1.00 0.32 C ATOM 180 O ALA A 11 -2.534 7.119 2.839 1.00 0.32 O ATOM 181 CB ALA A 11 -2.087 10.060 1.478 1.00 0.38 C ATOM 0 H ALA A 11 -2.208 9.249 -0.882 1.00 0.36 H new ATOM 0 HA ALA A 11 -0.790 8.331 1.444 1.00 0.36 H new ATOM 0 HB1 ALA A 11 -2.034 10.181 2.560 1.00 0.38 H new ATOM 0 HB2 ALA A 11 -1.352 10.710 1.003 1.00 0.38 H new ATOM 0 HB3 ALA A 11 -3.085 10.327 1.132 1.00 0.38 H new ATOM 187 N LEU A 12 -3.981 7.564 1.253 1.00 0.32 N ATOM 188 CA LEU A 12 -5.001 6.697 1.900 1.00 0.31 C ATOM 189 C LEU A 12 -4.441 5.278 1.980 1.00 0.30 C ATOM 190 O LEU A 12 -4.599 4.593 2.971 1.00 0.32 O ATOM 191 CB LEU A 12 -6.280 6.715 1.058 1.00 0.33 C ATOM 192 CG LEU A 12 -6.952 8.093 1.162 1.00 0.34 C ATOM 193 CD1 LEU A 12 -8.044 8.200 0.092 1.00 0.37 C ATOM 194 CD2 LEU A 12 -7.578 8.287 2.554 1.00 0.36 C ATOM 0 H LEU A 12 -4.275 8.016 0.387 1.00 0.32 H new ATOM 0 HA LEU A 12 -5.235 7.056 2.902 1.00 0.31 H new ATOM 0 HB2 LEU A 12 -6.044 6.493 0.017 1.00 0.33 H new ATOM 0 HB3 LEU A 12 -6.964 5.940 1.403 1.00 0.33 H new ATOM 0 HG LEU A 12 -6.199 8.866 1.009 1.00 0.34 H new ATOM 0 HD11 LEU A 12 -8.525 9.176 0.160 1.00 0.37 H new ATOM 0 HD12 LEU A 12 -7.598 8.083 -0.896 1.00 0.37 H new ATOM 0 HD13 LEU A 12 -8.786 7.417 0.250 1.00 0.37 H new ATOM 0 HD21 LEU A 12 -8.049 9.269 2.608 1.00 0.36 H new ATOM 0 HD22 LEU A 12 -8.328 7.515 2.727 1.00 0.36 H new ATOM 0 HD23 LEU A 12 -6.801 8.215 3.315 1.00 0.36 H new ATOM 206 N ILE A 13 -3.764 4.842 0.955 1.00 0.31 N ATOM 207 CA ILE A 13 -3.167 3.479 0.982 1.00 0.32 C ATOM 208 C ILE A 13 -2.067 3.433 2.044 1.00 0.29 C ATOM 209 O ILE A 13 -1.965 2.498 2.811 1.00 0.30 O ATOM 210 CB ILE A 13 -2.537 3.177 -0.381 1.00 0.37 C ATOM 211 CG1 ILE A 13 -3.629 3.131 -1.458 1.00 0.42 C ATOM 212 CG2 ILE A 13 -1.810 1.832 -0.326 1.00 0.40 C ATOM 213 CD1 ILE A 13 -3.011 3.063 -2.866 1.00 0.49 C ATOM 0 H ILE A 13 -3.598 5.372 0.099 1.00 0.31 H new ATOM 0 HA ILE A 13 -3.942 2.747 1.209 1.00 0.32 H new ATOM 0 HB ILE A 13 -1.823 3.962 -0.628 1.00 0.37 H new ATOM 0 HG12 ILE A 13 -4.269 2.264 -1.295 1.00 0.42 H new ATOM 0 HG13 ILE A 13 -4.262 4.014 -1.377 1.00 0.42 H new ATOM 0 HG21 ILE A 13 -1.363 1.620 -1.297 1.00 0.40 H new ATOM 0 HG22 ILE A 13 -1.028 1.872 0.432 1.00 0.40 H new ATOM 0 HG23 ILE A 13 -2.520 1.045 -0.074 1.00 0.40 H new ATOM 0 HD11 ILE A 13 -3.806 3.031 -3.611 1.00 0.49 H new ATOM 0 HD12 ILE A 13 -2.391 3.944 -3.034 1.00 0.49 H new ATOM 0 HD13 ILE A 13 -2.398 2.166 -2.951 1.00 0.49 H new ATOM 225 N THR A 14 -1.228 4.431 2.070 1.00 0.29 N ATOM 226 CA THR A 14 -0.106 4.452 3.052 1.00 0.31 C ATOM 227 C THR A 14 -0.633 4.490 4.489 1.00 0.32 C ATOM 228 O THR A 14 -0.125 3.813 5.361 1.00 0.34 O ATOM 229 CB THR A 14 0.754 5.690 2.792 1.00 0.35 C ATOM 230 OG1 THR A 14 1.268 5.634 1.469 1.00 0.37 O ATOM 231 CG2 THR A 14 1.914 5.735 3.787 1.00 0.39 C ATOM 0 H THR A 14 -1.271 5.239 1.449 1.00 0.29 H new ATOM 0 HA THR A 14 0.485 3.545 2.930 1.00 0.31 H new ATOM 0 HB THR A 14 0.144 6.585 2.913 1.00 0.35 H new ATOM 0 HG1 THR A 14 0.558 5.862 0.832 1.00 0.37 H new ATOM 0 HG21 THR A 14 2.523 6.619 3.597 1.00 0.39 H new ATOM 0 HG22 THR A 14 1.521 5.777 4.803 1.00 0.39 H new ATOM 0 HG23 THR A 14 2.527 4.841 3.672 1.00 0.39 H new ATOM 239 N MET A 15 -1.634 5.285 4.754 1.00 0.33 N ATOM 240 CA MET A 15 -2.170 5.371 6.144 1.00 0.37 C ATOM 241 C MET A 15 -2.896 4.080 6.529 1.00 0.34 C ATOM 242 O MET A 15 -2.791 3.610 7.644 1.00 0.36 O ATOM 243 CB MET A 15 -3.130 6.556 6.252 1.00 0.44 C ATOM 244 CG MET A 15 -2.336 7.861 6.161 1.00 0.49 C ATOM 245 SD MET A 15 -3.430 9.259 6.514 1.00 0.67 S ATOM 246 CE MET A 15 -4.496 9.085 5.063 1.00 1.14 C ATOM 0 H MET A 15 -2.104 5.878 4.070 1.00 0.33 H new ATOM 0 HA MET A 15 -1.334 5.513 6.829 1.00 0.37 H new ATOM 0 HB2 MET A 15 -3.871 6.512 5.454 1.00 0.44 H new ATOM 0 HB3 MET A 15 -3.674 6.513 7.196 1.00 0.44 H new ATOM 0 HG2 MET A 15 -1.508 7.845 6.870 1.00 0.49 H new ATOM 0 HG3 MET A 15 -1.902 7.967 5.167 1.00 0.49 H new ATOM 0 HE1 MET A 15 -4.587 10.048 4.561 1.00 1.14 H new ATOM 0 HE2 MET A 15 -4.061 8.358 4.377 1.00 1.14 H new ATOM 0 HE3 MET A 15 -5.483 8.744 5.375 1.00 1.14 H new ATOM 256 N ALA A 16 -3.639 3.508 5.625 1.00 0.32 N ATOM 257 CA ALA A 16 -4.382 2.259 5.952 1.00 0.31 C ATOM 258 C ALA A 16 -3.404 1.209 6.486 1.00 0.29 C ATOM 259 O ALA A 16 -3.677 0.528 7.455 1.00 0.31 O ATOM 260 CB ALA A 16 -5.064 1.742 4.681 1.00 0.31 C ATOM 0 H ALA A 16 -3.765 3.851 4.673 1.00 0.32 H new ATOM 0 HA ALA A 16 -5.135 2.460 6.714 1.00 0.31 H new ATOM 0 HB1 ALA A 16 -5.611 0.827 4.908 1.00 0.31 H new ATOM 0 HB2 ALA A 16 -5.757 2.496 4.307 1.00 0.31 H new ATOM 0 HB3 ALA A 16 -4.310 1.534 3.922 1.00 0.31 H new ATOM 266 N ILE A 17 -2.268 1.078 5.866 1.00 0.27 N ATOM 267 CA ILE A 17 -1.272 0.079 6.341 1.00 0.28 C ATOM 268 C ILE A 17 -0.890 0.422 7.779 1.00 0.30 C ATOM 269 O ILE A 17 -0.820 -0.427 8.646 1.00 0.33 O ATOM 270 CB ILE A 17 -0.028 0.168 5.460 1.00 0.29 C ATOM 271 CG1 ILE A 17 -0.419 -0.130 4.015 1.00 0.29 C ATOM 272 CG2 ILE A 17 1.000 -0.864 5.927 1.00 0.33 C ATOM 273 CD1 ILE A 17 0.750 0.208 3.085 1.00 0.32 C ATOM 0 H ILE A 17 -1.984 1.620 5.050 1.00 0.27 H new ATOM 0 HA ILE A 17 -1.689 -0.927 6.293 1.00 0.28 H new ATOM 0 HB ILE A 17 0.401 1.167 5.529 1.00 0.29 H new ATOM 0 HG12 ILE A 17 -0.688 -1.181 3.910 1.00 0.29 H new ATOM 0 HG13 ILE A 17 -1.297 0.453 3.738 1.00 0.29 H new ATOM 0 HG21 ILE A 17 1.889 -0.802 5.299 1.00 0.33 H new ATOM 0 HG22 ILE A 17 1.273 -0.663 6.963 1.00 0.33 H new ATOM 0 HG23 ILE A 17 0.572 -1.864 5.852 1.00 0.33 H new ATOM 0 HD11 ILE A 17 0.468 -0.006 2.054 1.00 0.32 H new ATOM 0 HD12 ILE A 17 0.998 1.265 3.182 1.00 0.32 H new ATOM 0 HD13 ILE A 17 1.617 -0.394 3.356 1.00 0.32 H new ATOM 285 N GLN A 18 -0.628 1.675 8.020 1.00 0.32 N ATOM 286 CA GLN A 18 -0.230 2.120 9.386 1.00 0.36 C ATOM 287 C GLN A 18 -1.334 1.800 10.397 1.00 0.36 C ATOM 288 O GLN A 18 -1.075 1.304 11.476 1.00 0.38 O ATOM 289 CB GLN A 18 0.016 3.630 9.360 1.00 0.44 C ATOM 290 CG GLN A 18 1.288 3.910 8.561 1.00 0.51 C ATOM 291 CD GLN A 18 1.557 5.415 8.519 1.00 1.09 C ATOM 292 OE1 GLN A 18 1.372 6.104 9.502 1.00 1.76 O ATOM 293 NE2 GLN A 18 1.998 5.955 7.416 1.00 1.82 N ATOM 0 H GLN A 18 -0.673 2.418 7.323 1.00 0.32 H new ATOM 0 HA GLN A 18 0.677 1.595 9.685 1.00 0.36 H new ATOM 0 HB2 GLN A 18 -0.833 4.143 8.908 1.00 0.44 H new ATOM 0 HB3 GLN A 18 0.117 4.013 10.375 1.00 0.44 H new ATOM 0 HG2 GLN A 18 2.134 3.393 9.015 1.00 0.51 H new ATOM 0 HG3 GLN A 18 1.184 3.522 7.548 1.00 0.51 H new ATOM 0 HE21 GLN A 18 2.153 5.376 6.591 1.00 1.82 H new ATOM 0 HE22 GLN A 18 2.188 6.957 7.379 1.00 1.82 H new ATOM 302 N ASN A 19 -2.567 2.079 10.066 1.00 0.37 N ATOM 303 CA ASN A 19 -3.685 1.792 11.015 1.00 0.42 C ATOM 304 C ASN A 19 -4.237 0.389 10.759 1.00 0.43 C ATOM 305 O ASN A 19 -5.308 0.041 11.216 1.00 0.58 O ATOM 306 CB ASN A 19 -4.793 2.832 10.839 1.00 0.51 C ATOM 307 CG ASN A 19 -5.253 2.864 9.383 1.00 0.84 C ATOM 308 OD1 ASN A 19 -5.884 1.940 8.910 1.00 1.67 O ATOM 309 ND2 ASN A 19 -4.956 3.899 8.646 1.00 1.28 N ATOM 0 H ASN A 19 -2.850 2.494 9.178 1.00 0.37 H new ATOM 0 HA ASN A 19 -3.310 1.843 12.037 1.00 0.42 H new ATOM 0 HB2 ASN A 19 -5.634 2.593 11.490 1.00 0.51 H new ATOM 0 HB3 ASN A 19 -4.430 3.816 11.136 1.00 0.51 H new ATOM 0 HD21 ASN A 19 -5.254 3.933 7.671 1.00 1.28 H new ATOM 0 HD22 ASN A 19 -4.426 4.674 9.045 1.00 1.28 H new ATOM 316 N ALA A 20 -3.515 -0.426 10.040 1.00 0.39 N ATOM 317 CA ALA A 20 -4.004 -1.807 9.771 1.00 0.47 C ATOM 318 C ALA A 20 -3.752 -2.666 11.020 1.00 0.53 C ATOM 319 O ALA A 20 -2.648 -2.679 11.529 1.00 0.63 O ATOM 320 CB ALA A 20 -3.221 -2.397 8.594 1.00 0.49 C ATOM 0 H ALA A 20 -2.610 -0.196 9.628 1.00 0.39 H new ATOM 0 HA ALA A 20 -5.067 -1.789 9.533 1.00 0.47 H new ATOM 0 HB1 ALA A 20 -3.574 -3.408 8.392 1.00 0.49 H new ATOM 0 HB2 ALA A 20 -3.371 -1.777 7.710 1.00 0.49 H new ATOM 0 HB3 ALA A 20 -2.160 -2.426 8.841 1.00 0.49 H new ATOM 326 N PRO A 21 -4.735 -3.383 11.522 1.00 0.71 N ATOM 327 CA PRO A 21 -4.540 -4.238 12.728 1.00 0.87 C ATOM 328 C PRO A 21 -3.188 -4.953 12.677 1.00 0.80 C ATOM 329 O PRO A 21 -2.499 -5.084 13.669 1.00 1.04 O ATOM 330 CB PRO A 21 -5.705 -5.227 12.653 1.00 1.10 C ATOM 331 CG PRO A 21 -6.800 -4.477 11.961 1.00 1.29 C ATOM 332 CD PRO A 21 -6.121 -3.470 11.021 1.00 0.94 C ATOM 0 HA PRO A 21 -4.531 -3.673 13.660 1.00 0.87 H new ATOM 0 HB2 PRO A 21 -5.428 -6.123 12.098 1.00 1.10 H new ATOM 0 HB3 PRO A 21 -6.014 -5.550 13.647 1.00 1.10 H new ATOM 0 HG2 PRO A 21 -7.441 -5.158 11.401 1.00 1.29 H new ATOM 0 HG3 PRO A 21 -7.434 -3.964 12.684 1.00 1.29 H new ATOM 0 HD2 PRO A 21 -6.149 -3.810 9.986 1.00 0.94 H new ATOM 0 HD3 PRO A 21 -6.617 -2.500 11.052 1.00 0.94 H new ATOM 340 N GLU A 22 -2.796 -5.380 11.504 1.00 0.72 N ATOM 341 CA GLU A 22 -1.475 -6.052 11.321 1.00 0.83 C ATOM 342 C GLU A 22 -0.719 -5.279 10.241 1.00 0.80 C ATOM 343 O GLU A 22 -1.318 -4.635 9.403 1.00 1.16 O ATOM 344 CB GLU A 22 -1.671 -7.502 10.860 1.00 0.98 C ATOM 345 CG GLU A 22 -2.314 -8.338 11.979 1.00 1.51 C ATOM 346 CD GLU A 22 -3.837 -8.171 11.966 1.00 2.01 C ATOM 347 OE1 GLU A 22 -4.374 -7.832 10.924 1.00 2.63 O ATOM 348 OE2 GLU A 22 -4.443 -8.389 13.002 1.00 2.51 O ATOM 0 H GLU A 22 -3.346 -5.289 10.650 1.00 0.72 H new ATOM 0 HA GLU A 22 -0.925 -6.063 12.262 1.00 0.83 H new ATOM 0 HB2 GLU A 22 -2.302 -7.526 9.971 1.00 0.98 H new ATOM 0 HB3 GLU A 22 -0.710 -7.934 10.580 1.00 0.98 H new ATOM 0 HG2 GLU A 22 -2.056 -9.389 11.849 1.00 1.51 H new ATOM 0 HG3 GLU A 22 -1.917 -8.029 12.946 1.00 1.51 H new ATOM 355 N LYS A 23 0.583 -5.319 10.246 1.00 0.66 N ATOM 356 CA LYS A 23 1.333 -4.563 9.207 1.00 0.68 C ATOM 357 C LYS A 23 0.923 -5.093 7.830 1.00 0.56 C ATOM 358 O LYS A 23 0.746 -4.339 6.893 1.00 0.59 O ATOM 359 CB LYS A 23 2.842 -4.749 9.425 1.00 0.84 C ATOM 360 CG LYS A 23 3.659 -3.979 8.374 1.00 0.96 C ATOM 361 CD LYS A 23 3.552 -2.468 8.610 1.00 0.79 C ATOM 362 CE LYS A 23 4.607 -1.745 7.769 1.00 1.23 C ATOM 363 NZ LYS A 23 5.968 -2.066 8.287 1.00 2.02 N ATOM 0 H LYS A 23 1.154 -5.835 10.915 1.00 0.66 H new ATOM 0 HA LYS A 23 1.103 -3.499 9.271 1.00 0.68 H new ATOM 0 HB2 LYS A 23 3.112 -4.404 10.423 1.00 0.84 H new ATOM 0 HB3 LYS A 23 3.090 -5.809 9.376 1.00 0.84 H new ATOM 0 HG2 LYS A 23 4.704 -4.287 8.420 1.00 0.96 H new ATOM 0 HG3 LYS A 23 3.299 -4.223 7.375 1.00 0.96 H new ATOM 0 HD2 LYS A 23 2.555 -2.117 8.343 1.00 0.79 H new ATOM 0 HD3 LYS A 23 3.697 -2.243 9.667 1.00 0.79 H new ATOM 0 HE2 LYS A 23 4.524 -2.047 6.725 1.00 1.23 H new ATOM 0 HE3 LYS A 23 4.439 -0.669 7.803 1.00 1.23 H new ATOM 0 HZ1 LYS A 23 6.621 -1.293 8.049 1.00 2.02 H new ATOM 0 HZ2 LYS A 23 5.928 -2.180 9.320 1.00 2.02 H new ATOM 0 HZ3 LYS A 23 6.305 -2.950 7.854 1.00 2.02 H new ATOM 377 N LYS A 24 0.758 -6.383 7.700 1.00 0.49 N ATOM 378 CA LYS A 24 0.345 -6.959 6.384 1.00 0.43 C ATOM 379 C LYS A 24 -1.183 -7.026 6.326 1.00 0.44 C ATOM 380 O LYS A 24 -1.822 -7.584 7.198 1.00 0.75 O ATOM 381 CB LYS A 24 0.924 -8.370 6.234 1.00 0.41 C ATOM 382 CG LYS A 24 2.449 -8.290 6.141 1.00 0.45 C ATOM 383 CD LYS A 24 3.026 -9.698 5.990 1.00 0.50 C ATOM 384 CE LYS A 24 4.550 -9.615 5.897 1.00 0.59 C ATOM 385 NZ LYS A 24 5.106 -10.969 5.615 1.00 1.55 N ATOM 0 H LYS A 24 0.891 -7.064 8.448 1.00 0.49 H new ATOM 0 HA LYS A 24 0.719 -6.330 5.576 1.00 0.43 H new ATOM 0 HB2 LYS A 24 0.633 -8.986 7.085 1.00 0.41 H new ATOM 0 HB3 LYS A 24 0.519 -8.847 5.342 1.00 0.41 H new ATOM 0 HG2 LYS A 24 2.740 -7.673 5.291 1.00 0.45 H new ATOM 0 HG3 LYS A 24 2.854 -7.814 7.034 1.00 0.45 H new ATOM 0 HD2 LYS A 24 2.736 -10.315 6.840 1.00 0.50 H new ATOM 0 HD3 LYS A 24 2.622 -10.175 5.097 1.00 0.50 H new ATOM 0 HE2 LYS A 24 4.839 -8.920 5.109 1.00 0.59 H new ATOM 0 HE3 LYS A 24 4.961 -9.228 6.829 1.00 0.59 H new ATOM 0 HZ1 LYS A 24 6.143 -10.912 5.552 1.00 1.55 H new ATOM 0 HZ2 LYS A 24 4.841 -11.620 6.382 1.00 1.55 H new ATOM 0 HZ3 LYS A 24 4.723 -11.321 4.714 1.00 1.55 H new ATOM 399 N ILE A 25 -1.773 -6.454 5.307 1.00 0.35 N ATOM 400 CA ILE A 25 -3.264 -6.464 5.175 1.00 0.34 C ATOM 401 C ILE A 25 -3.648 -6.880 3.753 1.00 0.31 C ATOM 402 O ILE A 25 -2.863 -6.768 2.831 1.00 0.33 O ATOM 403 CB ILE A 25 -3.799 -5.056 5.454 1.00 0.38 C ATOM 404 CG1 ILE A 25 -5.324 -5.049 5.318 1.00 0.39 C ATOM 405 CG2 ILE A 25 -3.194 -4.070 4.454 1.00 0.38 C ATOM 406 CD1 ILE A 25 -5.873 -3.715 5.825 1.00 0.47 C ATOM 0 H ILE A 25 -1.281 -5.975 4.553 1.00 0.35 H new ATOM 0 HA ILE A 25 -3.692 -7.170 5.886 1.00 0.34 H new ATOM 0 HB ILE A 25 -3.524 -4.761 6.467 1.00 0.38 H new ATOM 0 HG12 ILE A 25 -5.608 -5.199 4.276 1.00 0.39 H new ATOM 0 HG13 ILE A 25 -5.755 -5.872 5.888 1.00 0.39 H new ATOM 0 HG21 ILE A 25 -3.576 -3.069 4.654 1.00 0.38 H new ATOM 0 HG22 ILE A 25 -2.109 -4.071 4.553 1.00 0.38 H new ATOM 0 HG23 ILE A 25 -3.466 -4.366 3.441 1.00 0.38 H new ATOM 0 HD11 ILE A 25 -6.959 -3.708 5.729 1.00 0.47 H new ATOM 0 HD12 ILE A 25 -5.601 -3.584 6.872 1.00 0.47 H new ATOM 0 HD13 ILE A 25 -5.452 -2.901 5.236 1.00 0.47 H new ATOM 418 N THR A 26 -4.848 -7.362 3.564 1.00 0.30 N ATOM 419 CA THR A 26 -5.276 -7.787 2.200 1.00 0.31 C ATOM 420 C THR A 26 -5.733 -6.570 1.391 1.00 0.28 C ATOM 421 O THR A 26 -6.094 -5.546 1.935 1.00 0.27 O ATOM 422 CB THR A 26 -6.436 -8.781 2.312 1.00 0.37 C ATOM 423 OG1 THR A 26 -7.440 -8.242 3.159 1.00 0.76 O ATOM 424 CG2 THR A 26 -5.929 -10.104 2.890 1.00 0.81 C ATOM 0 H THR A 26 -5.550 -7.480 4.295 1.00 0.30 H new ATOM 0 HA THR A 26 -4.433 -8.260 1.696 1.00 0.31 H new ATOM 0 HB THR A 26 -6.855 -8.961 1.322 1.00 0.37 H new ATOM 0 HG1 THR A 26 -8.183 -8.877 3.230 1.00 0.76 H new ATOM 0 HG21 THR A 26 -6.757 -10.808 2.968 1.00 0.81 H new ATOM 0 HG22 THR A 26 -5.162 -10.517 2.235 1.00 0.81 H new ATOM 0 HG23 THR A 26 -5.506 -9.930 3.879 1.00 0.81 H new ATOM 432 N LEU A 27 -5.725 -6.685 0.091 1.00 0.31 N ATOM 433 CA LEU A 27 -6.161 -5.553 -0.775 1.00 0.34 C ATOM 434 C LEU A 27 -7.617 -5.203 -0.444 1.00 0.30 C ATOM 435 O LEU A 27 -7.959 -4.058 -0.219 1.00 0.31 O ATOM 436 CB LEU A 27 -6.022 -5.988 -2.243 1.00 0.44 C ATOM 437 CG LEU A 27 -6.519 -4.906 -3.214 1.00 0.47 C ATOM 438 CD1 LEU A 27 -5.927 -3.542 -2.848 1.00 0.70 C ATOM 439 CD2 LEU A 27 -6.079 -5.281 -4.632 1.00 0.68 C ATOM 0 H LEU A 27 -5.432 -7.522 -0.412 1.00 0.31 H new ATOM 0 HA LEU A 27 -5.546 -4.669 -0.604 1.00 0.34 H new ATOM 0 HB2 LEU A 27 -4.977 -6.214 -2.457 1.00 0.44 H new ATOM 0 HB3 LEU A 27 -6.587 -6.906 -2.404 1.00 0.44 H new ATOM 0 HG LEU A 27 -7.605 -4.842 -3.154 1.00 0.47 H new ATOM 0 HD11 LEU A 27 -6.290 -2.788 -3.547 1.00 0.70 H new ATOM 0 HD12 LEU A 27 -6.229 -3.274 -1.836 1.00 0.70 H new ATOM 0 HD13 LEU A 27 -4.839 -3.591 -2.901 1.00 0.70 H new ATOM 0 HD21 LEU A 27 -6.425 -4.521 -5.333 1.00 0.68 H new ATOM 0 HD22 LEU A 27 -4.991 -5.343 -4.671 1.00 0.68 H new ATOM 0 HD23 LEU A 27 -6.507 -6.246 -4.902 1.00 0.68 H new ATOM 451 N ASN A 28 -8.467 -6.190 -0.398 1.00 0.30 N ATOM 452 CA ASN A 28 -9.901 -5.946 -0.071 1.00 0.31 C ATOM 453 C ASN A 28 -10.017 -5.313 1.320 1.00 0.29 C ATOM 454 O ASN A 28 -10.839 -4.450 1.552 1.00 0.32 O ATOM 455 CB ASN A 28 -10.653 -7.277 -0.092 1.00 0.36 C ATOM 456 CG ASN A 28 -10.734 -7.787 -1.531 1.00 0.43 C ATOM 457 OD1 ASN A 28 -11.262 -7.119 -2.398 1.00 1.07 O ATOM 458 ND2 ASN A 28 -10.223 -8.951 -1.825 1.00 1.25 N ATOM 0 H ASN A 28 -8.228 -7.166 -0.575 1.00 0.30 H new ATOM 0 HA ASN A 28 -10.332 -5.268 -0.808 1.00 0.31 H new ATOM 0 HB2 ASN A 28 -10.142 -8.007 0.537 1.00 0.36 H new ATOM 0 HB3 ASN A 28 -11.655 -7.149 0.318 1.00 0.36 H new ATOM 0 HD21 ASN A 28 -10.267 -9.300 -2.782 1.00 1.25 H new ATOM 0 HD22 ASN A 28 -9.780 -9.512 -1.097 1.00 1.25 H new ATOM 465 N GLY A 29 -9.219 -5.759 2.252 1.00 0.28 N ATOM 466 CA GLY A 29 -9.298 -5.209 3.637 1.00 0.29 C ATOM 467 C GLY A 29 -9.033 -3.699 3.643 1.00 0.28 C ATOM 468 O GLY A 29 -9.675 -2.956 4.359 1.00 0.29 O ATOM 0 H GLY A 29 -8.514 -6.483 2.114 1.00 0.28 H new ATOM 0 HA2 GLY A 29 -10.283 -5.411 4.057 1.00 0.29 H new ATOM 0 HA3 GLY A 29 -8.571 -5.712 4.274 1.00 0.29 H new ATOM 472 N ILE A 30 -8.094 -3.233 2.866 1.00 0.26 N ATOM 473 CA ILE A 30 -7.804 -1.769 2.854 1.00 0.27 C ATOM 474 C ILE A 30 -9.054 -1.002 2.408 1.00 0.27 C ATOM 475 O ILE A 30 -9.386 0.033 2.953 1.00 0.29 O ATOM 476 CB ILE A 30 -6.649 -1.484 1.887 1.00 0.29 C ATOM 477 CG1 ILE A 30 -5.350 -2.048 2.473 1.00 0.32 C ATOM 478 CG2 ILE A 30 -6.493 0.027 1.685 1.00 0.34 C ATOM 479 CD1 ILE A 30 -4.251 -2.018 1.409 1.00 0.35 C ATOM 0 H ILE A 30 -7.518 -3.798 2.242 1.00 0.26 H new ATOM 0 HA ILE A 30 -7.523 -1.446 3.856 1.00 0.27 H new ATOM 0 HB ILE A 30 -6.862 -1.955 0.927 1.00 0.29 H new ATOM 0 HG12 ILE A 30 -5.046 -1.462 3.341 1.00 0.32 H new ATOM 0 HG13 ILE A 30 -5.508 -3.070 2.818 1.00 0.32 H new ATOM 0 HG21 ILE A 30 -5.670 0.219 0.997 1.00 0.34 H new ATOM 0 HG22 ILE A 30 -7.415 0.436 1.272 1.00 0.34 H new ATOM 0 HG23 ILE A 30 -6.283 0.502 2.643 1.00 0.34 H new ATOM 0 HD11 ILE A 30 -3.328 -2.419 1.828 1.00 0.35 H new ATOM 0 HD12 ILE A 30 -4.555 -2.623 0.555 1.00 0.35 H new ATOM 0 HD13 ILE A 30 -4.086 -0.990 1.086 1.00 0.35 H new ATOM 491 N TYR A 31 -9.735 -1.488 1.410 1.00 0.28 N ATOM 492 CA TYR A 31 -10.948 -0.775 0.913 1.00 0.30 C ATOM 493 C TYR A 31 -12.007 -0.670 2.009 1.00 0.30 C ATOM 494 O TYR A 31 -12.660 0.345 2.158 1.00 0.32 O ATOM 495 CB TYR A 31 -11.526 -1.555 -0.270 1.00 0.36 C ATOM 496 CG TYR A 31 -10.692 -1.270 -1.495 1.00 0.38 C ATOM 497 CD1 TYR A 31 -10.803 -0.038 -2.142 1.00 1.36 C ATOM 498 CD2 TYR A 31 -9.795 -2.229 -1.971 1.00 1.20 C ATOM 499 CE1 TYR A 31 -10.017 0.240 -3.261 1.00 1.40 C ATOM 500 CE2 TYR A 31 -9.011 -1.955 -3.093 1.00 1.23 C ATOM 501 CZ TYR A 31 -9.119 -0.722 -3.736 1.00 0.58 C ATOM 502 OH TYR A 31 -8.329 -0.458 -4.832 1.00 0.72 O ATOM 0 H TYR A 31 -9.505 -2.350 0.915 1.00 0.28 H new ATOM 0 HA TYR A 31 -10.665 0.233 0.609 1.00 0.30 H new ATOM 0 HB2 TYR A 31 -11.526 -2.623 -0.054 1.00 0.36 H new ATOM 0 HB3 TYR A 31 -12.562 -1.265 -0.443 1.00 0.36 H new ATOM 0 HD1 TYR A 31 -11.499 0.702 -1.776 1.00 1.36 H new ATOM 0 HD2 TYR A 31 -9.708 -3.182 -1.471 1.00 1.20 H new ATOM 0 HE1 TYR A 31 -10.102 1.195 -3.759 1.00 1.40 H new ATOM 0 HE2 TYR A 31 -8.320 -2.698 -3.463 1.00 1.23 H new ATOM 0 HH TYR A 31 -7.415 -0.764 -4.657 1.00 0.72 H new ATOM 512 N GLN A 32 -12.193 -1.708 2.767 1.00 0.31 N ATOM 513 CA GLN A 32 -13.224 -1.667 3.837 1.00 0.35 C ATOM 514 C GLN A 32 -12.895 -0.543 4.820 1.00 0.33 C ATOM 515 O GLN A 32 -13.768 0.163 5.284 1.00 0.34 O ATOM 516 CB GLN A 32 -13.247 -3.015 4.556 1.00 0.41 C ATOM 517 CG GLN A 32 -13.825 -4.082 3.621 1.00 1.25 C ATOM 518 CD GLN A 32 -15.311 -3.810 3.367 1.00 1.79 C ATOM 519 OE1 GLN A 32 -16.030 -3.242 4.297 1.00 2.35 O flip ATOM 520 NE2 GLN A 32 -15.824 -4.123 2.311 1.00 2.51 N flip ATOM 0 H GLN A 32 -11.676 -2.584 2.693 1.00 0.31 H new ATOM 0 HA GLN A 32 -14.206 -1.475 3.405 1.00 0.35 H new ATOM 0 HB2 GLN A 32 -12.239 -3.293 4.863 1.00 0.41 H new ATOM 0 HB3 GLN A 32 -13.849 -2.946 5.462 1.00 0.41 H new ATOM 0 HG2 GLN A 32 -13.281 -4.083 2.677 1.00 1.25 H new ATOM 0 HG3 GLN A 32 -13.698 -5.071 4.062 1.00 1.25 H new ATOM 0 HE21 GLN A 32 -15.264 -4.567 1.583 1.00 2.51 H new ATOM 0 HE22 GLN A 32 -16.815 -3.942 2.152 1.00 2.51 H new ATOM 529 N PHE A 33 -11.643 -0.368 5.142 1.00 0.33 N ATOM 530 CA PHE A 33 -11.264 0.714 6.094 1.00 0.35 C ATOM 531 C PHE A 33 -11.692 2.073 5.531 1.00 0.32 C ATOM 532 O PHE A 33 -12.288 2.880 6.217 1.00 0.34 O ATOM 533 CB PHE A 33 -9.747 0.690 6.300 1.00 0.40 C ATOM 534 CG PHE A 33 -9.353 1.741 7.311 1.00 0.46 C ATOM 535 CD1 PHE A 33 -9.441 1.460 8.679 1.00 1.34 C ATOM 536 CD2 PHE A 33 -8.889 2.989 6.880 1.00 1.23 C ATOM 537 CE1 PHE A 33 -9.066 2.427 9.619 1.00 1.37 C ATOM 538 CE2 PHE A 33 -8.515 3.958 7.821 1.00 1.27 C ATOM 539 CZ PHE A 33 -8.604 3.676 9.189 1.00 0.63 C ATOM 0 H PHE A 33 -10.867 -0.927 4.788 1.00 0.33 H new ATOM 0 HA PHE A 33 -11.765 0.555 7.049 1.00 0.35 H new ATOM 0 HB2 PHE A 33 -9.433 -0.295 6.644 1.00 0.40 H new ATOM 0 HB3 PHE A 33 -9.239 0.874 5.353 1.00 0.40 H new ATOM 0 HD1 PHE A 33 -9.799 0.496 9.010 1.00 1.34 H new ATOM 0 HD2 PHE A 33 -8.819 3.205 5.824 1.00 1.23 H new ATOM 0 HE1 PHE A 33 -9.133 2.209 10.675 1.00 1.37 H new ATOM 0 HE2 PHE A 33 -8.158 4.922 7.491 1.00 1.27 H new ATOM 0 HZ PHE A 33 -8.316 4.423 9.914 1.00 0.63 H new ATOM 549 N ILE A 34 -11.389 2.333 4.288 1.00 0.28 N ATOM 550 CA ILE A 34 -11.769 3.639 3.672 1.00 0.27 C ATOM 551 C ILE A 34 -13.290 3.827 3.703 1.00 0.26 C ATOM 552 O ILE A 34 -13.783 4.855 4.120 1.00 0.27 O ATOM 553 CB ILE A 34 -11.264 3.671 2.225 1.00 0.27 C ATOM 554 CG1 ILE A 34 -9.735 3.769 2.236 1.00 0.32 C ATOM 555 CG2 ILE A 34 -11.852 4.876 1.483 1.00 0.29 C ATOM 556 CD1 ILE A 34 -9.186 3.429 0.850 1.00 0.59 C ATOM 0 H ILE A 34 -10.892 1.694 3.668 1.00 0.28 H new ATOM 0 HA ILE A 34 -11.315 4.451 4.240 1.00 0.27 H new ATOM 0 HB ILE A 34 -11.576 2.761 1.713 1.00 0.27 H new ATOM 0 HG12 ILE A 34 -9.428 4.775 2.523 1.00 0.32 H new ATOM 0 HG13 ILE A 34 -9.323 3.086 2.979 1.00 0.32 H new ATOM 0 HG21 ILE A 34 -11.485 4.886 0.457 1.00 0.29 H new ATOM 0 HG22 ILE A 34 -12.940 4.805 1.479 1.00 0.29 H new ATOM 0 HG23 ILE A 34 -11.550 5.795 1.985 1.00 0.29 H new ATOM 0 HD11 ILE A 34 -8.098 3.500 0.862 1.00 0.59 H new ATOM 0 HD12 ILE A 34 -9.481 2.415 0.581 1.00 0.59 H new ATOM 0 HD13 ILE A 34 -9.587 4.130 0.118 1.00 0.59 H new ATOM 568 N MET A 35 -14.041 2.856 3.258 1.00 0.27 N ATOM 569 CA MET A 35 -15.523 3.012 3.264 1.00 0.29 C ATOM 570 C MET A 35 -16.035 3.140 4.699 1.00 0.29 C ATOM 571 O MET A 35 -16.922 3.921 4.980 1.00 0.31 O ATOM 572 CB MET A 35 -16.177 1.805 2.587 1.00 0.37 C ATOM 573 CG MET A 35 -15.882 1.848 1.085 1.00 0.44 C ATOM 574 SD MET A 35 -16.651 0.425 0.269 1.00 0.69 S ATOM 575 CE MET A 35 -15.582 -0.863 0.960 1.00 0.47 C ATOM 0 H MET A 35 -13.696 1.968 2.893 1.00 0.27 H new ATOM 0 HA MET A 35 -15.783 3.917 2.714 1.00 0.29 H new ATOM 0 HB2 MET A 35 -15.795 0.880 3.018 1.00 0.37 H new ATOM 0 HB3 MET A 35 -17.253 1.816 2.759 1.00 0.37 H new ATOM 0 HG2 MET A 35 -16.263 2.775 0.656 1.00 0.44 H new ATOM 0 HG3 MET A 35 -14.805 1.838 0.916 1.00 0.44 H new ATOM 0 HE1 MET A 35 -15.639 -1.756 0.338 1.00 0.47 H new ATOM 0 HE2 MET A 35 -14.553 -0.505 0.988 1.00 0.47 H new ATOM 0 HE3 MET A 35 -15.910 -1.104 1.971 1.00 0.47 H new ATOM 585 N ASP A 36 -15.488 2.385 5.611 1.00 0.31 N ATOM 586 CA ASP A 36 -15.956 2.475 7.024 1.00 0.37 C ATOM 587 C ASP A 36 -15.606 3.853 7.592 1.00 0.38 C ATOM 588 O ASP A 36 -16.377 4.451 8.316 1.00 0.45 O ATOM 589 CB ASP A 36 -15.268 1.394 7.859 1.00 0.43 C ATOM 590 CG ASP A 36 -15.806 0.019 7.459 1.00 0.51 C ATOM 591 OD1 ASP A 36 -17.008 -0.098 7.284 1.00 1.17 O ATOM 592 OD2 ASP A 36 -15.007 -0.894 7.338 1.00 1.12 O ATOM 0 H ASP A 36 -14.740 1.712 5.441 1.00 0.31 H new ATOM 0 HA ASP A 36 -17.036 2.330 7.057 1.00 0.37 H new ATOM 0 HB2 ASP A 36 -14.190 1.433 7.706 1.00 0.43 H new ATOM 0 HB3 ASP A 36 -15.446 1.571 8.920 1.00 0.43 H new ATOM 597 N ARG A 37 -14.444 4.356 7.275 1.00 0.39 N ATOM 598 CA ARG A 37 -14.043 5.692 7.800 1.00 0.46 C ATOM 599 C ARG A 37 -14.892 6.791 7.161 1.00 0.45 C ATOM 600 O ARG A 37 -15.493 7.595 7.846 1.00 0.59 O ATOM 601 CB ARG A 37 -12.566 5.936 7.485 1.00 0.53 C ATOM 602 CG ARG A 37 -12.151 7.316 7.998 1.00 1.16 C ATOM 603 CD ARG A 37 -10.624 7.414 8.012 1.00 1.28 C ATOM 604 NE ARG A 37 -10.088 6.976 6.692 1.00 1.77 N ATOM 605 CZ ARG A 37 -8.845 7.220 6.378 1.00 2.16 C ATOM 606 NH1 ARG A 37 -8.076 7.868 7.212 1.00 2.31 N ATOM 607 NH2 ARG A 37 -8.367 6.816 5.233 1.00 3.00 N ATOM 0 H ARG A 37 -13.756 3.900 6.676 1.00 0.39 H new ATOM 0 HA ARG A 37 -14.199 5.712 8.879 1.00 0.46 H new ATOM 0 HB2 ARG A 37 -11.953 5.165 7.951 1.00 0.53 H new ATOM 0 HB3 ARG A 37 -12.398 5.871 6.410 1.00 0.53 H new ATOM 0 HG2 ARG A 37 -12.571 8.094 7.361 1.00 1.16 H new ATOM 0 HG3 ARG A 37 -12.546 7.477 9.001 1.00 1.16 H new ATOM 0 HD2 ARG A 37 -10.316 8.439 8.220 1.00 1.28 H new ATOM 0 HD3 ARG A 37 -10.216 6.791 8.808 1.00 1.28 H new ATOM 0 HE ARG A 37 -10.693 6.485 6.034 1.00 1.77 H new ATOM 0 HH11 ARG A 37 -8.447 8.183 8.108 1.00 2.31 H new ATOM 0 HH12 ARG A 37 -7.104 8.059 6.967 1.00 2.31 H new ATOM 0 HH21 ARG A 37 -8.965 6.308 4.581 1.00 3.00 H new ATOM 0 HH22 ARG A 37 -7.395 7.008 4.990 1.00 3.00 H new ATOM 621 N PHE A 38 -14.935 6.840 5.854 1.00 0.40 N ATOM 622 CA PHE A 38 -15.730 7.894 5.150 1.00 0.41 C ATOM 623 C PHE A 38 -16.949 7.256 4.456 1.00 0.39 C ATOM 624 O PHE A 38 -16.790 6.361 3.650 1.00 0.51 O ATOM 625 CB PHE A 38 -14.830 8.554 4.101 1.00 0.43 C ATOM 626 CG PHE A 38 -13.758 9.345 4.810 1.00 0.54 C ATOM 627 CD1 PHE A 38 -14.102 10.506 5.511 1.00 1.21 C ATOM 628 CD2 PHE A 38 -12.424 8.914 4.779 1.00 1.47 C ATOM 629 CE1 PHE A 38 -13.117 11.238 6.180 1.00 1.27 C ATOM 630 CE2 PHE A 38 -11.436 9.650 5.447 1.00 1.54 C ATOM 631 CZ PHE A 38 -11.785 10.812 6.147 1.00 0.82 C ATOM 0 H PHE A 38 -14.449 6.189 5.238 1.00 0.40 H new ATOM 0 HA PHE A 38 -16.084 8.635 5.867 1.00 0.41 H new ATOM 0 HB2 PHE A 38 -14.379 7.796 3.460 1.00 0.43 H new ATOM 0 HB3 PHE A 38 -15.418 9.208 3.457 1.00 0.43 H new ATOM 0 HD1 PHE A 38 -15.130 10.837 5.535 1.00 1.21 H new ATOM 0 HD2 PHE A 38 -12.158 8.016 4.241 1.00 1.47 H new ATOM 0 HE1 PHE A 38 -13.384 12.133 6.723 1.00 1.27 H new ATOM 0 HE2 PHE A 38 -10.407 9.322 5.422 1.00 1.54 H new ATOM 0 HZ PHE A 38 -11.024 11.380 6.662 1.00 0.82 H new ATOM 641 N PRO A 39 -18.159 7.696 4.743 1.00 0.53 N ATOM 642 CA PRO A 39 -19.381 7.127 4.101 1.00 0.55 C ATOM 643 C PRO A 39 -19.563 7.668 2.681 1.00 0.47 C ATOM 644 O PRO A 39 -20.427 7.243 1.939 1.00 0.47 O ATOM 645 CB PRO A 39 -20.515 7.598 5.017 1.00 0.70 C ATOM 646 CG PRO A 39 -20.033 8.899 5.568 1.00 1.21 C ATOM 647 CD PRO A 39 -18.510 8.774 5.691 1.00 0.88 C ATOM 0 HA PRO A 39 -19.339 6.043 3.997 1.00 0.55 H new ATOM 0 HB2 PRO A 39 -21.446 7.721 4.465 1.00 0.70 H new ATOM 0 HB3 PRO A 39 -20.709 6.878 5.812 1.00 0.70 H new ATOM 0 HG2 PRO A 39 -20.304 9.725 4.910 1.00 1.21 H new ATOM 0 HG3 PRO A 39 -20.486 9.103 6.538 1.00 1.21 H new ATOM 0 HD2 PRO A 39 -18.011 9.709 5.434 1.00 0.88 H new ATOM 0 HD3 PRO A 39 -18.212 8.523 6.709 1.00 0.88 H new ATOM 655 N PHE A 40 -18.737 8.603 2.309 1.00 0.44 N ATOM 656 CA PHE A 40 -18.810 9.198 0.948 1.00 0.42 C ATOM 657 C PHE A 40 -18.598 8.104 -0.101 1.00 0.34 C ATOM 658 O PHE A 40 -19.289 8.038 -1.098 1.00 0.36 O ATOM 659 CB PHE A 40 -17.707 10.260 0.840 1.00 0.48 C ATOM 660 CG PHE A 40 -17.476 10.658 -0.601 1.00 1.33 C ATOM 661 CD1 PHE A 40 -18.376 11.513 -1.248 1.00 2.34 C ATOM 662 CD2 PHE A 40 -16.351 10.175 -1.286 1.00 2.20 C ATOM 663 CE1 PHE A 40 -18.153 11.886 -2.580 1.00 3.41 C ATOM 664 CE2 PHE A 40 -16.131 10.547 -2.618 1.00 3.29 C ATOM 665 CZ PHE A 40 -17.032 11.402 -3.264 1.00 3.74 C ATOM 0 H PHE A 40 -18.001 8.987 2.902 1.00 0.44 H new ATOM 0 HA PHE A 40 -19.785 9.653 0.776 1.00 0.42 H new ATOM 0 HB2 PHE A 40 -17.984 11.138 1.423 1.00 0.48 H new ATOM 0 HB3 PHE A 40 -16.782 9.873 1.267 1.00 0.48 H new ATOM 0 HD1 PHE A 40 -19.242 11.885 -0.721 1.00 2.34 H new ATOM 0 HD2 PHE A 40 -15.655 9.517 -0.787 1.00 2.20 H new ATOM 0 HE1 PHE A 40 -18.846 12.547 -3.079 1.00 3.41 H new ATOM 0 HE2 PHE A 40 -15.266 10.174 -3.147 1.00 3.29 H new ATOM 0 HZ PHE A 40 -16.862 11.688 -4.291 1.00 3.74 H new ATOM 675 N TYR A 41 -17.631 7.260 0.113 1.00 0.27 N ATOM 676 CA TYR A 41 -17.346 6.178 -0.868 1.00 0.25 C ATOM 677 C TYR A 41 -18.462 5.131 -0.856 1.00 0.29 C ATOM 678 O TYR A 41 -18.705 4.468 -1.844 1.00 0.35 O ATOM 679 CB TYR A 41 -16.010 5.540 -0.517 1.00 0.23 C ATOM 680 CG TYR A 41 -14.946 6.593 -0.676 1.00 0.25 C ATOM 681 CD1 TYR A 41 -14.346 6.798 -1.919 1.00 1.04 C ATOM 682 CD2 TYR A 41 -14.566 7.368 0.421 1.00 1.10 C ATOM 683 CE1 TYR A 41 -13.362 7.779 -2.072 1.00 1.05 C ATOM 684 CE2 TYR A 41 -13.584 8.353 0.275 1.00 1.12 C ATOM 685 CZ TYR A 41 -12.980 8.560 -0.973 1.00 0.34 C ATOM 686 OH TYR A 41 -12.009 9.528 -1.118 1.00 0.40 O ATOM 0 H TYR A 41 -17.021 7.273 0.931 1.00 0.27 H new ATOM 0 HA TYR A 41 -17.298 6.599 -1.872 1.00 0.25 H new ATOM 0 HB2 TYR A 41 -16.024 5.161 0.505 1.00 0.23 H new ATOM 0 HB3 TYR A 41 -15.808 4.690 -1.170 1.00 0.23 H new ATOM 0 HD1 TYR A 41 -14.643 6.197 -2.766 1.00 1.04 H new ATOM 0 HD2 TYR A 41 -15.030 7.207 1.383 1.00 1.10 H new ATOM 0 HE1 TYR A 41 -12.897 7.935 -3.035 1.00 1.05 H new ATOM 0 HE2 TYR A 41 -13.291 8.954 1.123 1.00 1.12 H new ATOM 0 HH TYR A 41 -12.029 9.877 -2.034 1.00 0.40 H new ATOM 696 N ARG A 42 -19.147 4.970 0.243 1.00 0.33 N ATOM 697 CA ARG A 42 -20.240 3.959 0.277 1.00 0.42 C ATOM 698 C ARG A 42 -21.279 4.328 -0.785 1.00 0.44 C ATOM 699 O ARG A 42 -21.808 3.476 -1.470 1.00 0.53 O ATOM 700 CB ARG A 42 -20.902 3.929 1.657 1.00 0.50 C ATOM 701 CG ARG A 42 -19.935 3.330 2.682 1.00 0.58 C ATOM 702 CD ARG A 42 -20.675 3.061 3.995 1.00 0.63 C ATOM 703 NE ARG A 42 -21.597 1.902 3.810 1.00 1.26 N ATOM 704 CZ ARG A 42 -22.123 1.309 4.847 1.00 1.66 C ATOM 705 NH1 ARG A 42 -21.877 1.754 6.049 1.00 1.95 N ATOM 706 NH2 ARG A 42 -22.901 0.274 4.682 1.00 2.51 N ATOM 0 H ARG A 42 -19.000 5.488 1.109 1.00 0.33 H new ATOM 0 HA ARG A 42 -19.826 2.971 0.074 1.00 0.42 H new ATOM 0 HB2 ARG A 42 -21.185 4.938 1.957 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -21.818 3.339 1.619 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -19.510 2.403 2.297 1.00 0.58 H new ATOM 0 HG3 ARG A 42 -19.104 4.014 2.855 1.00 0.58 H new ATOM 0 HD2 ARG A 42 -19.962 2.850 4.792 1.00 0.63 H new ATOM 0 HD3 ARG A 42 -21.238 3.944 4.297 1.00 0.63 H new ATOM 0 HE ARG A 42 -21.817 1.572 2.870 1.00 1.26 H new ATOM 0 HH11 ARG A 42 -21.273 2.566 6.179 1.00 1.95 H new ATOM 0 HH12 ARG A 42 -22.289 1.290 6.859 1.00 1.95 H new ATOM 0 HH21 ARG A 42 -23.098 -0.071 3.743 1.00 2.51 H new ATOM 0 HH22 ARG A 42 -23.312 -0.189 5.492 1.00 2.51 H new ATOM 720 N GLU A 43 -21.567 5.593 -0.935 1.00 0.42 N ATOM 721 CA GLU A 43 -22.563 6.013 -1.963 1.00 0.48 C ATOM 722 C GLU A 43 -21.927 5.928 -3.351 1.00 0.45 C ATOM 723 O GLU A 43 -22.565 6.167 -4.357 1.00 0.66 O ATOM 724 CB GLU A 43 -23.022 7.448 -1.689 1.00 0.62 C ATOM 725 CG GLU A 43 -23.915 7.474 -0.448 1.00 1.27 C ATOM 726 CD GLU A 43 -24.348 8.913 -0.157 1.00 1.75 C ATOM 727 OE1 GLU A 43 -25.327 9.346 -0.741 1.00 2.28 O ATOM 728 OE2 GLU A 43 -23.694 9.555 0.649 1.00 2.34 O ATOM 0 H GLU A 43 -21.157 6.352 -0.391 1.00 0.42 H new ATOM 0 HA GLU A 43 -23.428 5.351 -1.919 1.00 0.48 H new ATOM 0 HB2 GLU A 43 -22.157 8.095 -1.541 1.00 0.62 H new ATOM 0 HB3 GLU A 43 -23.567 7.837 -2.549 1.00 0.62 H new ATOM 0 HG2 GLU A 43 -24.791 6.845 -0.605 1.00 1.27 H new ATOM 0 HG3 GLU A 43 -23.378 7.065 0.408 1.00 1.27 H new ATOM 735 N ASN A 44 -20.673 5.578 -3.406 1.00 0.44 N ATOM 736 CA ASN A 44 -19.967 5.457 -4.719 1.00 0.43 C ATOM 737 C ASN A 44 -18.971 4.298 -4.647 1.00 0.37 C ATOM 738 O ASN A 44 -17.881 4.439 -4.130 1.00 0.47 O ATOM 739 CB ASN A 44 -19.205 6.751 -5.016 1.00 0.54 C ATOM 740 CG ASN A 44 -18.662 6.703 -6.444 1.00 1.30 C ATOM 741 OD1 ASN A 44 -17.558 6.249 -6.670 1.00 2.01 O ATOM 742 ND2 ASN A 44 -19.394 7.153 -7.426 1.00 1.97 N ATOM 0 H ASN A 44 -20.098 5.368 -2.590 1.00 0.44 H new ATOM 0 HA ASN A 44 -20.697 5.275 -5.508 1.00 0.43 H new ATOM 0 HB2 ASN A 44 -19.864 7.610 -4.894 1.00 0.54 H new ATOM 0 HB3 ASN A 44 -18.386 6.875 -4.308 1.00 0.54 H new ATOM 0 HD21 ASN A 44 -19.039 7.123 -8.382 1.00 1.97 H new ATOM 0 HD22 ASN A 44 -20.321 7.534 -7.238 1.00 1.97 H new ATOM 749 N LYS A 45 -19.338 3.149 -5.150 1.00 0.49 N ATOM 750 CA LYS A 45 -18.421 1.972 -5.102 1.00 0.61 C ATOM 751 C LYS A 45 -17.681 1.810 -6.433 1.00 0.71 C ATOM 752 O LYS A 45 -16.549 1.368 -6.469 1.00 0.97 O ATOM 753 CB LYS A 45 -19.248 0.720 -4.813 1.00 0.76 C ATOM 754 CG LYS A 45 -19.751 0.781 -3.368 1.00 0.74 C ATOM 755 CD LYS A 45 -20.787 -0.321 -3.120 1.00 0.93 C ATOM 756 CE LYS A 45 -20.100 -1.686 -3.045 1.00 1.11 C ATOM 757 NZ LYS A 45 -21.063 -2.692 -2.512 1.00 1.68 N ATOM 0 H LYS A 45 -20.239 2.974 -5.595 1.00 0.49 H new ATOM 0 HA LYS A 45 -17.680 2.123 -4.317 1.00 0.61 H new ATOM 0 HB2 LYS A 45 -20.090 0.657 -5.503 1.00 0.76 H new ATOM 0 HB3 LYS A 45 -18.644 -0.174 -4.964 1.00 0.76 H new ATOM 0 HG2 LYS A 45 -18.914 0.665 -2.679 1.00 0.74 H new ATOM 0 HG3 LYS A 45 -20.194 1.757 -3.170 1.00 0.74 H new ATOM 0 HD2 LYS A 45 -21.323 -0.124 -2.191 1.00 0.93 H new ATOM 0 HD3 LYS A 45 -21.527 -0.322 -3.921 1.00 0.93 H new ATOM 0 HE2 LYS A 45 -19.752 -1.986 -4.034 1.00 1.11 H new ATOM 0 HE3 LYS A 45 -19.222 -1.629 -2.402 1.00 1.11 H new ATOM 0 HZ1 LYS A 45 -20.600 -3.622 -2.459 1.00 1.68 H new ATOM 0 HZ2 LYS A 45 -21.374 -2.406 -1.562 1.00 1.68 H new ATOM 0 HZ3 LYS A 45 -21.888 -2.751 -3.143 1.00 1.68 H new ATOM 771 N GLN A 46 -18.302 2.153 -7.530 1.00 0.95 N ATOM 772 CA GLN A 46 -17.621 2.004 -8.852 1.00 1.12 C ATOM 773 C GLN A 46 -16.812 3.259 -9.179 1.00 0.71 C ATOM 774 O GLN A 46 -17.219 4.367 -8.891 1.00 1.16 O ATOM 775 CB GLN A 46 -18.667 1.787 -9.946 1.00 1.90 C ATOM 776 CG GLN A 46 -19.300 0.403 -9.787 1.00 2.64 C ATOM 777 CD GLN A 46 -20.383 0.215 -10.850 1.00 3.38 C ATOM 778 OE1 GLN A 46 -20.985 1.171 -11.297 1.00 3.81 O ATOM 779 NE2 GLN A 46 -20.657 -0.987 -11.279 1.00 3.98 N ATOM 0 H GLN A 46 -19.249 2.529 -7.569 1.00 0.95 H new ATOM 0 HA GLN A 46 -16.949 1.147 -8.803 1.00 1.12 H new ATOM 0 HB2 GLN A 46 -19.435 2.558 -9.886 1.00 1.90 H new ATOM 0 HB3 GLN A 46 -18.203 1.875 -10.929 1.00 1.90 H new ATOM 0 HG2 GLN A 46 -18.539 -0.371 -9.887 1.00 2.64 H new ATOM 0 HG3 GLN A 46 -19.731 0.300 -8.791 1.00 2.64 H new ATOM 0 HE21 GLN A 46 -20.152 -1.790 -10.904 1.00 3.98 H new ATOM 0 HE22 GLN A 46 -21.376 -1.123 -11.989 1.00 3.98 H new ATOM 788 N GLY A 47 -15.670 3.085 -9.793 1.00 0.78 N ATOM 789 CA GLY A 47 -14.814 4.251 -10.166 1.00 0.73 C ATOM 790 C GLY A 47 -13.635 4.368 -9.199 1.00 0.54 C ATOM 791 O GLY A 47 -12.503 4.108 -9.554 1.00 0.64 O ATOM 0 H GLY A 47 -15.290 2.175 -10.055 1.00 0.78 H new ATOM 0 HA2 GLY A 47 -14.448 4.132 -11.186 1.00 0.73 H new ATOM 0 HA3 GLY A 47 -15.404 5.167 -10.145 1.00 0.73 H new ATOM 795 N TRP A 48 -13.885 4.779 -7.989 1.00 0.44 N ATOM 796 CA TRP A 48 -12.774 4.938 -7.011 1.00 0.33 C ATOM 797 C TRP A 48 -12.213 3.572 -6.594 1.00 0.31 C ATOM 798 O TRP A 48 -11.023 3.413 -6.409 1.00 0.37 O ATOM 799 CB TRP A 48 -13.289 5.700 -5.781 1.00 0.36 C ATOM 800 CG TRP A 48 -14.013 4.789 -4.836 1.00 0.35 C ATOM 801 CD1 TRP A 48 -15.317 4.438 -4.922 1.00 0.37 C ATOM 802 CD2 TRP A 48 -13.490 4.124 -3.648 1.00 0.35 C ATOM 803 NE1 TRP A 48 -15.628 3.611 -3.859 1.00 0.37 N ATOM 804 CE2 TRP A 48 -14.537 3.386 -3.048 1.00 0.36 C ATOM 805 CE3 TRP A 48 -12.225 4.095 -3.038 1.00 0.37 C ATOM 806 CZ2 TRP A 48 -14.336 2.646 -1.882 1.00 0.39 C ATOM 807 CZ3 TRP A 48 -12.019 3.351 -1.867 1.00 0.41 C ATOM 808 CH2 TRP A 48 -13.072 2.630 -1.290 1.00 0.42 C ATOM 0 H TRP A 48 -14.812 5.012 -7.634 1.00 0.44 H new ATOM 0 HA TRP A 48 -11.967 5.502 -7.479 1.00 0.33 H new ATOM 0 HB2 TRP A 48 -12.451 6.170 -5.266 1.00 0.36 H new ATOM 0 HB3 TRP A 48 -13.957 6.500 -6.100 1.00 0.36 H new ATOM 0 HD1 TRP A 48 -16.003 4.753 -5.695 1.00 0.37 H new ATOM 0 HE1 TRP A 48 -16.554 3.215 -3.695 1.00 0.37 H new ATOM 0 HE3 TRP A 48 -11.406 4.649 -3.473 1.00 0.37 H new ATOM 0 HZ2 TRP A 48 -15.151 2.091 -1.442 1.00 0.39 H new ATOM 0 HZ3 TRP A 48 -11.042 3.334 -1.407 1.00 0.41 H new ATOM 0 HH2 TRP A 48 -12.906 2.062 -0.387 1.00 0.42 H new ATOM 819 N GLN A 49 -13.060 2.597 -6.413 1.00 0.41 N ATOM 820 CA GLN A 49 -12.573 1.256 -5.972 1.00 0.47 C ATOM 821 C GLN A 49 -11.584 0.670 -6.987 1.00 0.37 C ATOM 822 O GLN A 49 -10.511 0.225 -6.631 1.00 0.38 O ATOM 823 CB GLN A 49 -13.770 0.316 -5.830 1.00 0.65 C ATOM 824 CG GLN A 49 -13.306 -1.024 -5.256 1.00 1.21 C ATOM 825 CD GLN A 49 -14.519 -1.932 -5.039 1.00 1.35 C ATOM 826 OE1 GLN A 49 -14.372 -3.226 -5.118 1.00 1.96 O flip ATOM 827 NE2 GLN A 49 -15.611 -1.459 -4.800 1.00 1.59 N flip ATOM 0 H GLN A 49 -14.068 2.669 -6.551 1.00 0.41 H new ATOM 0 HA GLN A 49 -12.060 1.365 -5.017 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -14.520 0.762 -5.177 1.00 0.65 H new ATOM 0 HB3 GLN A 49 -14.242 0.163 -6.800 1.00 0.65 H new ATOM 0 HG2 GLN A 49 -12.600 -1.499 -5.937 1.00 1.21 H new ATOM 0 HG3 GLN A 49 -12.783 -0.866 -4.313 1.00 1.21 H new ATOM 0 HE21 GLN A 49 -15.726 -0.447 -4.738 1.00 1.59 H new ATOM 0 HE22 GLN A 49 -16.413 -2.073 -4.661 1.00 1.59 H new ATOM 836 N ASN A 50 -11.933 0.654 -8.244 1.00 0.37 N ATOM 837 CA ASN A 50 -11.008 0.084 -9.266 1.00 0.39 C ATOM 838 C ASN A 50 -9.839 1.041 -9.507 1.00 0.34 C ATOM 839 O ASN A 50 -8.743 0.625 -9.827 1.00 0.39 O ATOM 840 CB ASN A 50 -11.763 -0.140 -10.577 1.00 0.53 C ATOM 841 CG ASN A 50 -12.756 -1.290 -10.405 1.00 0.63 C ATOM 842 OD1 ASN A 50 -13.946 -1.110 -10.574 1.00 1.25 O ATOM 843 ND2 ASN A 50 -12.317 -2.475 -10.075 1.00 1.28 N ATOM 0 H ASN A 50 -12.817 1.010 -8.608 1.00 0.37 H new ATOM 0 HA ASN A 50 -10.622 -0.868 -8.902 1.00 0.39 H new ATOM 0 HB2 ASN A 50 -12.290 0.769 -10.865 1.00 0.53 H new ATOM 0 HB3 ASN A 50 -11.061 -0.369 -11.379 1.00 0.53 H new ATOM 0 HD21 ASN A 50 -12.973 -3.248 -9.959 1.00 1.28 H new ATOM 0 HD22 ASN A 50 -11.319 -2.628 -9.933 1.00 1.28 H new ATOM 850 N SER A 51 -10.064 2.319 -9.382 1.00 0.31 N ATOM 851 CA SER A 51 -8.966 3.293 -9.633 1.00 0.36 C ATOM 852 C SER A 51 -7.801 3.037 -8.674 1.00 0.37 C ATOM 853 O SER A 51 -6.651 3.109 -9.056 1.00 0.50 O ATOM 854 CB SER A 51 -9.492 4.714 -9.420 1.00 0.38 C ATOM 855 OG SER A 51 -10.408 5.035 -10.458 1.00 1.49 O ATOM 0 H SER A 51 -10.959 2.731 -9.117 1.00 0.31 H new ATOM 0 HA SER A 51 -8.615 3.175 -10.658 1.00 0.36 H new ATOM 0 HB2 SER A 51 -9.982 4.791 -8.450 1.00 0.38 H new ATOM 0 HB3 SER A 51 -8.665 5.424 -9.417 1.00 0.38 H new ATOM 0 HG SER A 51 -11.119 4.361 -10.487 1.00 1.49 H new ATOM 861 N ILE A 52 -8.076 2.734 -7.433 1.00 0.33 N ATOM 862 CA ILE A 52 -6.957 2.476 -6.484 1.00 0.43 C ATOM 863 C ILE A 52 -6.276 1.152 -6.857 1.00 0.42 C ATOM 864 O ILE A 52 -5.065 1.059 -6.873 1.00 0.47 O ATOM 865 CB ILE A 52 -7.496 2.422 -5.049 1.00 0.51 C ATOM 866 CG1 ILE A 52 -7.948 3.831 -4.634 1.00 0.62 C ATOM 867 CG2 ILE A 52 -6.413 1.903 -4.084 1.00 0.64 C ATOM 868 CD1 ILE A 52 -8.295 3.872 -3.145 1.00 0.64 C ATOM 0 H ILE A 52 -9.014 2.655 -7.040 1.00 0.33 H new ATOM 0 HA ILE A 52 -6.225 3.281 -6.546 1.00 0.43 H new ATOM 0 HB ILE A 52 -8.343 1.737 -5.005 1.00 0.51 H new ATOM 0 HG12 ILE A 52 -7.157 4.550 -4.848 1.00 0.62 H new ATOM 0 HG13 ILE A 52 -8.816 4.128 -5.223 1.00 0.62 H new ATOM 0 HG21 ILE A 52 -6.813 1.872 -3.071 1.00 0.64 H new ATOM 0 HG22 ILE A 52 -6.108 0.901 -4.385 1.00 0.64 H new ATOM 0 HG23 ILE A 52 -5.551 2.569 -4.113 1.00 0.64 H new ATOM 0 HD11 ILE A 52 -8.612 4.879 -2.873 1.00 0.64 H new ATOM 0 HD12 ILE A 52 -9.103 3.169 -2.940 1.00 0.64 H new ATOM 0 HD13 ILE A 52 -7.418 3.597 -2.559 1.00 0.64 H new ATOM 880 N ARG A 53 -7.030 0.125 -7.161 1.00 0.45 N ATOM 881 CA ARG A 53 -6.383 -1.169 -7.530 1.00 0.53 C ATOM 882 C ARG A 53 -5.510 -0.938 -8.762 1.00 0.49 C ATOM 883 O ARG A 53 -4.367 -1.344 -8.817 1.00 0.47 O ATOM 884 CB ARG A 53 -7.439 -2.231 -7.866 1.00 0.76 C ATOM 885 CG ARG A 53 -8.344 -2.490 -6.658 1.00 0.56 C ATOM 886 CD ARG A 53 -9.076 -3.822 -6.834 1.00 0.37 C ATOM 887 NE ARG A 53 -10.207 -3.913 -5.868 1.00 1.42 N ATOM 888 CZ ARG A 53 -11.176 -4.762 -6.078 1.00 1.74 C ATOM 889 NH1 ARG A 53 -11.190 -5.485 -7.166 1.00 1.58 N ATOM 890 NH2 ARG A 53 -12.140 -4.882 -5.207 1.00 2.76 N ATOM 0 H ARG A 53 -8.050 0.126 -7.170 1.00 0.45 H new ATOM 0 HA ARG A 53 -5.788 -1.522 -6.688 1.00 0.53 H new ATOM 0 HB2 ARG A 53 -8.040 -1.900 -8.713 1.00 0.76 H new ATOM 0 HB3 ARG A 53 -6.949 -3.157 -8.166 1.00 0.76 H new ATOM 0 HG2 ARG A 53 -7.750 -2.509 -5.744 1.00 0.56 H new ATOM 0 HG3 ARG A 53 -9.065 -1.680 -6.552 1.00 0.56 H new ATOM 0 HD2 ARG A 53 -9.450 -3.909 -7.854 1.00 0.37 H new ATOM 0 HD3 ARG A 53 -8.385 -4.650 -6.676 1.00 0.37 H new ATOM 0 HE ARG A 53 -10.224 -3.313 -5.044 1.00 1.42 H new ATOM 0 HH11 ARG A 53 -10.443 -5.387 -7.853 1.00 1.58 H new ATOM 0 HH12 ARG A 53 -11.948 -6.148 -7.328 1.00 1.58 H new ATOM 0 HH21 ARG A 53 -12.137 -4.312 -4.361 1.00 2.76 H new ATOM 0 HH22 ARG A 53 -12.897 -5.546 -5.372 1.00 2.76 H new ATOM 904 N HIS A 54 -6.044 -0.273 -9.752 1.00 0.52 N ATOM 905 CA HIS A 54 -5.248 0.000 -10.980 1.00 0.59 C ATOM 906 C HIS A 54 -4.026 0.833 -10.590 1.00 0.53 C ATOM 907 O HIS A 54 -2.933 0.623 -11.078 1.00 0.59 O ATOM 908 CB HIS A 54 -6.112 0.776 -11.977 1.00 0.67 C ATOM 909 CG HIS A 54 -5.352 0.983 -13.258 1.00 1.12 C ATOM 910 ND1 HIS A 54 -4.973 -0.074 -14.071 1.00 1.81 N ATOM 911 CD2 HIS A 54 -4.903 2.118 -13.887 1.00 1.99 C ATOM 912 CE1 HIS A 54 -4.329 0.441 -15.133 1.00 2.38 C ATOM 913 NE2 HIS A 54 -4.258 1.773 -15.072 1.00 2.48 N ATOM 0 H HIS A 54 -6.996 0.092 -9.762 1.00 0.52 H new ATOM 0 HA HIS A 54 -4.925 -0.934 -11.441 1.00 0.59 H new ATOM 0 HB2 HIS A 54 -7.034 0.230 -12.175 1.00 0.67 H new ATOM 0 HB3 HIS A 54 -6.397 1.739 -11.553 1.00 0.67 H new ATOM 0 HD1 HIS A 54 -5.150 -1.063 -13.895 1.00 1.81 H new ATOM 0 HD2 HIS A 54 -5.031 3.125 -13.519 1.00 1.99 H new ATOM 0 HE1 HIS A 54 -3.919 -0.151 -15.938 1.00 2.38 H new ATOM 921 N ASN A 55 -4.207 1.774 -9.702 1.00 0.46 N ATOM 922 CA ASN A 55 -3.063 2.620 -9.262 1.00 0.50 C ATOM 923 C ASN A 55 -2.039 1.736 -8.554 1.00 0.45 C ATOM 924 O ASN A 55 -0.846 1.897 -8.709 1.00 0.51 O ATOM 925 CB ASN A 55 -3.553 3.683 -8.277 1.00 0.53 C ATOM 926 CG ASN A 55 -4.447 4.691 -9.001 1.00 1.27 C ATOM 927 OD1 ASN A 55 -4.421 4.789 -10.212 1.00 2.07 O ATOM 928 ND2 ASN A 55 -5.237 5.459 -8.300 1.00 1.97 N ATOM 0 H ASN A 55 -5.101 1.993 -9.262 1.00 0.46 H new ATOM 0 HA ASN A 55 -2.616 3.104 -10.131 1.00 0.50 H new ATOM 0 HB2 ASN A 55 -4.106 3.211 -7.465 1.00 0.53 H new ATOM 0 HB3 ASN A 55 -2.702 4.195 -7.828 1.00 0.53 H new ATOM 0 HD21 ASN A 55 -5.833 6.141 -8.769 1.00 1.97 H new ATOM 0 HD22 ASN A 55 -5.258 5.376 -7.284 1.00 1.97 H new ATOM 935 N LEU A 56 -2.505 0.805 -7.764 1.00 0.39 N ATOM 936 CA LEU A 56 -1.569 -0.087 -7.028 1.00 0.39 C ATOM 937 C LEU A 56 -0.693 -0.862 -8.017 1.00 0.44 C ATOM 938 O LEU A 56 0.506 -0.954 -7.848 1.00 0.78 O ATOM 939 CB LEU A 56 -2.372 -1.059 -6.155 1.00 0.44 C ATOM 940 CG LEU A 56 -2.827 -0.356 -4.864 1.00 0.50 C ATOM 941 CD1 LEU A 56 -3.863 -1.229 -4.145 1.00 0.65 C ATOM 942 CD2 LEU A 56 -1.623 -0.104 -3.931 1.00 0.53 C ATOM 0 H LEU A 56 -3.495 0.626 -7.598 1.00 0.39 H new ATOM 0 HA LEU A 56 -0.921 0.515 -6.391 1.00 0.39 H new ATOM 0 HB2 LEU A 56 -3.240 -1.423 -6.705 1.00 0.44 H new ATOM 0 HB3 LEU A 56 -1.762 -1.929 -5.910 1.00 0.44 H new ATOM 0 HG LEU A 56 -3.272 0.604 -5.125 1.00 0.50 H new ATOM 0 HD11 LEU A 56 -4.186 -0.732 -3.230 1.00 0.65 H new ATOM 0 HD12 LEU A 56 -4.723 -1.384 -4.797 1.00 0.65 H new ATOM 0 HD13 LEU A 56 -3.417 -2.192 -3.896 1.00 0.65 H new ATOM 0 HD21 LEU A 56 -1.964 0.394 -3.023 1.00 0.53 H new ATOM 0 HD22 LEU A 56 -1.159 -1.055 -3.671 1.00 0.53 H new ATOM 0 HD23 LEU A 56 -0.895 0.528 -4.439 1.00 0.53 H new ATOM 954 N SER A 57 -1.269 -1.417 -9.048 1.00 0.55 N ATOM 955 CA SER A 57 -0.439 -2.172 -10.028 1.00 0.61 C ATOM 956 C SER A 57 0.570 -1.220 -10.678 1.00 0.64 C ATOM 957 O SER A 57 1.726 -1.549 -10.852 1.00 0.69 O ATOM 958 CB SER A 57 -1.341 -2.780 -11.104 1.00 0.71 C ATOM 959 OG SER A 57 -2.164 -3.777 -10.515 1.00 1.60 O ATOM 0 H SER A 57 -2.268 -1.381 -9.253 1.00 0.55 H new ATOM 0 HA SER A 57 0.095 -2.971 -9.514 1.00 0.61 H new ATOM 0 HB2 SER A 57 -1.957 -2.005 -11.559 1.00 0.71 H new ATOM 0 HB3 SER A 57 -0.736 -3.214 -11.900 1.00 0.71 H new ATOM 0 HG SER A 57 -2.745 -4.168 -11.200 1.00 1.60 H new ATOM 965 N LEU A 58 0.140 -0.038 -11.027 1.00 0.65 N ATOM 966 CA LEU A 58 1.070 0.946 -11.653 1.00 0.73 C ATOM 967 C LEU A 58 2.079 1.439 -10.613 1.00 0.69 C ATOM 968 O LEU A 58 3.233 1.671 -10.916 1.00 0.76 O ATOM 969 CB LEU A 58 0.278 2.140 -12.194 1.00 0.81 C ATOM 970 CG LEU A 58 -0.517 1.730 -13.443 1.00 0.95 C ATOM 971 CD1 LEU A 58 -1.602 2.777 -13.719 1.00 1.38 C ATOM 972 CD2 LEU A 58 0.413 1.632 -14.666 1.00 1.31 C ATOM 0 H LEU A 58 -0.818 0.290 -10.905 1.00 0.65 H new ATOM 0 HA LEU A 58 1.599 0.460 -12.473 1.00 0.73 H new ATOM 0 HB2 LEU A 58 -0.402 2.512 -11.427 1.00 0.81 H new ATOM 0 HB3 LEU A 58 0.958 2.956 -12.439 1.00 0.81 H new ATOM 0 HG LEU A 58 -0.972 0.756 -13.265 1.00 0.95 H new ATOM 0 HD11 LEU A 58 -2.168 2.489 -14.605 1.00 1.38 H new ATOM 0 HD12 LEU A 58 -2.274 2.839 -12.863 1.00 1.38 H new ATOM 0 HD13 LEU A 58 -1.136 3.748 -13.886 1.00 1.38 H new ATOM 0 HD21 LEU A 58 -0.167 1.341 -15.542 1.00 1.31 H new ATOM 0 HD22 LEU A 58 0.880 2.600 -14.846 1.00 1.31 H new ATOM 0 HD23 LEU A 58 1.185 0.886 -14.477 1.00 1.31 H new ATOM 984 N ASN A 59 1.650 1.615 -9.392 1.00 0.62 N ATOM 985 CA ASN A 59 2.585 2.112 -8.343 1.00 0.61 C ATOM 986 C ASN A 59 3.624 1.038 -8.021 1.00 0.56 C ATOM 987 O ASN A 59 3.304 -0.036 -7.552 1.00 0.52 O ATOM 988 CB ASN A 59 1.794 2.440 -7.075 1.00 0.64 C ATOM 989 CG ASN A 59 0.932 3.681 -7.314 1.00 0.83 C ATOM 990 OD1 ASN A 59 -0.263 3.656 -7.098 1.00 1.42 O ATOM 991 ND2 ASN A 59 1.492 4.776 -7.751 1.00 1.29 N ATOM 0 H ASN A 59 0.696 1.437 -9.077 1.00 0.62 H new ATOM 0 HA ASN A 59 3.090 3.006 -8.708 1.00 0.61 H new ATOM 0 HB2 ASN A 59 1.164 1.595 -6.799 1.00 0.64 H new ATOM 0 HB3 ASN A 59 2.477 2.614 -6.243 1.00 0.64 H new ATOM 0 HD21 ASN A 59 0.926 5.610 -7.911 1.00 1.29 H new ATOM 0 HD22 ASN A 59 2.495 4.798 -7.933 1.00 1.29 H new ATOM 998 N GLU A 60 4.874 1.331 -8.261 1.00 0.62 N ATOM 999 CA GLU A 60 5.955 0.349 -7.966 1.00 0.65 C ATOM 1000 C GLU A 60 6.457 0.576 -6.538 1.00 0.58 C ATOM 1001 O GLU A 60 7.207 -0.212 -5.999 1.00 0.55 O ATOM 1002 CB GLU A 60 7.107 0.568 -8.946 1.00 0.84 C ATOM 1003 CG GLU A 60 6.650 0.216 -10.363 1.00 0.97 C ATOM 1004 CD GLU A 60 7.733 0.628 -11.362 1.00 1.52 C ATOM 1005 OE1 GLU A 60 8.875 0.749 -10.951 1.00 2.02 O ATOM 1006 OE2 GLU A 60 7.403 0.809 -12.522 1.00 2.17 O ATOM 0 H GLU A 60 5.194 2.217 -8.652 1.00 0.62 H new ATOM 0 HA GLU A 60 5.574 -0.667 -8.066 1.00 0.65 H new ATOM 0 HB2 GLU A 60 7.438 1.606 -8.907 1.00 0.84 H new ATOM 0 HB3 GLU A 60 7.960 -0.050 -8.664 1.00 0.84 H new ATOM 0 HG2 GLU A 60 6.457 -0.854 -10.440 1.00 0.97 H new ATOM 0 HG3 GLU A 60 5.714 0.726 -10.593 1.00 0.97 H new ATOM 1013 N CYS A 61 6.057 1.660 -5.930 1.00 0.62 N ATOM 1014 CA CYS A 61 6.518 1.954 -4.544 1.00 0.65 C ATOM 1015 C CYS A 61 6.082 0.828 -3.607 1.00 0.53 C ATOM 1016 O CYS A 61 6.815 0.413 -2.731 1.00 0.57 O ATOM 1017 CB CYS A 61 5.899 3.272 -4.077 1.00 0.78 C ATOM 1018 SG CYS A 61 6.582 4.638 -5.052 1.00 1.56 S ATOM 0 H CYS A 61 5.430 2.355 -6.335 1.00 0.62 H new ATOM 0 HA CYS A 61 7.605 2.032 -4.531 1.00 0.65 H new ATOM 0 HB2 CYS A 61 4.815 3.237 -4.189 1.00 0.78 H new ATOM 0 HB3 CYS A 61 6.105 3.428 -3.018 1.00 0.78 H new ATOM 0 HG CYS A 61 6.055 5.759 -4.657 1.00 1.56 H new ATOM 1024 N PHE A 62 4.890 0.328 -3.787 1.00 0.46 N ATOM 1025 CA PHE A 62 4.405 -0.772 -2.909 1.00 0.40 C ATOM 1026 C PHE A 62 5.008 -2.095 -3.384 1.00 0.44 C ATOM 1027 O PHE A 62 5.213 -2.302 -4.564 1.00 0.55 O ATOM 1028 CB PHE A 62 2.878 -0.844 -2.993 1.00 0.44 C ATOM 1029 CG PHE A 62 2.290 0.433 -2.435 1.00 0.40 C ATOM 1030 CD1 PHE A 62 2.381 0.703 -1.065 1.00 1.27 C ATOM 1031 CD2 PHE A 62 1.660 1.348 -3.287 1.00 1.29 C ATOM 1032 CE1 PHE A 62 1.843 1.886 -0.546 1.00 1.32 C ATOM 1033 CE2 PHE A 62 1.123 2.533 -2.769 1.00 1.32 C ATOM 1034 CZ PHE A 62 1.214 2.802 -1.398 1.00 0.59 C ATOM 0 H PHE A 62 4.232 0.634 -4.504 1.00 0.46 H new ATOM 0 HA PHE A 62 4.704 -0.585 -1.878 1.00 0.40 H new ATOM 0 HB2 PHE A 62 2.565 -0.981 -4.028 1.00 0.44 H new ATOM 0 HB3 PHE A 62 2.511 -1.703 -2.432 1.00 0.44 H new ATOM 0 HD1 PHE A 62 2.867 -0.002 -0.407 1.00 1.27 H new ATOM 0 HD2 PHE A 62 1.588 1.140 -4.344 1.00 1.29 H new ATOM 0 HE1 PHE A 62 1.913 2.092 0.512 1.00 1.32 H new ATOM 0 HE2 PHE A 62 0.639 3.239 -3.427 1.00 1.32 H new ATOM 0 HZ PHE A 62 0.799 3.715 -0.998 1.00 0.59 H new ATOM 1044 N VAL A 63 5.287 -2.992 -2.474 1.00 0.46 N ATOM 1045 CA VAL A 63 5.873 -4.314 -2.854 1.00 0.55 C ATOM 1046 C VAL A 63 4.811 -5.390 -2.625 1.00 0.45 C ATOM 1047 O VAL A 63 4.250 -5.504 -1.554 1.00 0.45 O ATOM 1048 CB VAL A 63 7.097 -4.599 -1.981 1.00 0.74 C ATOM 1049 CG1 VAL A 63 7.702 -5.950 -2.369 1.00 0.85 C ATOM 1050 CG2 VAL A 63 8.137 -3.497 -2.189 1.00 0.91 C ATOM 0 H VAL A 63 5.133 -2.864 -1.474 1.00 0.46 H new ATOM 0 HA VAL A 63 6.181 -4.308 -3.900 1.00 0.55 H new ATOM 0 HB VAL A 63 6.796 -4.625 -0.934 1.00 0.74 H new ATOM 0 HG11 VAL A 63 8.574 -6.151 -1.746 1.00 0.85 H new ATOM 0 HG12 VAL A 63 6.962 -6.736 -2.221 1.00 0.85 H new ATOM 0 HG13 VAL A 63 8.002 -5.927 -3.417 1.00 0.85 H new ATOM 0 HG21 VAL A 63 9.010 -3.698 -1.568 1.00 0.91 H new ATOM 0 HG22 VAL A 63 8.436 -3.472 -3.237 1.00 0.91 H new ATOM 0 HG23 VAL A 63 7.708 -2.534 -1.911 1.00 0.91 H new ATOM 1060 N LYS A 64 4.512 -6.165 -3.630 1.00 0.53 N ATOM 1061 CA LYS A 64 3.463 -7.212 -3.476 1.00 0.56 C ATOM 1062 C LYS A 64 4.030 -8.409 -2.707 1.00 0.54 C ATOM 1063 O LYS A 64 5.123 -8.867 -2.978 1.00 0.77 O ATOM 1064 CB LYS A 64 2.987 -7.681 -4.861 1.00 0.84 C ATOM 1065 CG LYS A 64 2.730 -6.479 -5.811 1.00 0.94 C ATOM 1066 CD LYS A 64 1.240 -6.349 -6.169 1.00 1.11 C ATOM 1067 CE LYS A 64 0.862 -7.347 -7.268 1.00 1.05 C ATOM 1068 NZ LYS A 64 1.440 -8.685 -6.965 1.00 1.81 N ATOM 0 H LYS A 64 4.948 -6.119 -4.551 1.00 0.53 H new ATOM 0 HA LYS A 64 2.623 -6.790 -2.925 1.00 0.56 H new ATOM 0 HB2 LYS A 64 3.736 -8.340 -5.300 1.00 0.84 H new ATOM 0 HB3 LYS A 64 2.072 -8.264 -4.754 1.00 0.84 H new ATOM 0 HG2 LYS A 64 3.072 -5.560 -5.336 1.00 0.94 H new ATOM 0 HG3 LYS A 64 3.314 -6.604 -6.723 1.00 0.94 H new ATOM 0 HD2 LYS A 64 0.630 -6.527 -5.283 1.00 1.11 H new ATOM 0 HD3 LYS A 64 1.028 -5.333 -6.503 1.00 1.11 H new ATOM 0 HE2 LYS A 64 -0.223 -7.420 -7.346 1.00 1.05 H new ATOM 0 HE3 LYS A 64 1.228 -6.994 -8.232 1.00 1.05 H new ATOM 0 HZ1 LYS A 64 1.136 -9.367 -7.689 1.00 1.81 H new ATOM 0 HZ2 LYS A 64 2.478 -8.622 -6.963 1.00 1.81 H new ATOM 0 HZ3 LYS A 64 1.110 -9.002 -6.031 1.00 1.81 H new ATOM 1082 N VAL A 65 3.286 -8.928 -1.762 1.00 0.50 N ATOM 1083 CA VAL A 65 3.754 -10.113 -0.975 1.00 0.57 C ATOM 1084 C VAL A 65 2.598 -11.126 -0.876 1.00 0.63 C ATOM 1085 O VAL A 65 1.463 -10.738 -0.680 1.00 0.84 O ATOM 1086 CB VAL A 65 4.175 -9.665 0.435 1.00 0.69 C ATOM 1087 CG1 VAL A 65 5.630 -9.186 0.417 1.00 1.28 C ATOM 1088 CG2 VAL A 65 3.279 -8.515 0.901 1.00 0.69 C ATOM 0 H VAL A 65 2.365 -8.578 -1.499 1.00 0.50 H new ATOM 0 HA VAL A 65 4.610 -10.574 -1.469 1.00 0.57 H new ATOM 0 HB VAL A 65 4.076 -10.510 1.117 1.00 0.69 H new ATOM 0 HG11 VAL A 65 5.922 -8.870 1.419 1.00 1.28 H new ATOM 0 HG12 VAL A 65 6.277 -10.000 0.090 1.00 1.28 H new ATOM 0 HG13 VAL A 65 5.728 -8.346 -0.271 1.00 1.28 H new ATOM 0 HG21 VAL A 65 3.581 -8.201 1.900 1.00 0.69 H new ATOM 0 HG22 VAL A 65 3.376 -7.676 0.212 1.00 0.69 H new ATOM 0 HG23 VAL A 65 2.241 -8.848 0.923 1.00 0.69 H new ATOM 1098 N PRO A 66 2.862 -12.408 -1.009 1.00 0.81 N ATOM 1099 CA PRO A 66 1.798 -13.454 -0.927 1.00 0.96 C ATOM 1100 C PRO A 66 1.408 -13.778 0.522 1.00 0.95 C ATOM 1101 O PRO A 66 1.581 -12.977 1.418 1.00 1.13 O ATOM 1102 CB PRO A 66 2.460 -14.662 -1.598 1.00 1.25 C ATOM 1103 CG PRO A 66 3.900 -14.525 -1.240 1.00 1.65 C ATOM 1104 CD PRO A 66 4.186 -13.019 -1.255 1.00 1.18 C ATOM 0 HA PRO A 66 0.867 -13.141 -1.399 1.00 0.96 H new ATOM 0 HB2 PRO A 66 2.044 -15.601 -1.231 1.00 1.25 H new ATOM 0 HB3 PRO A 66 2.314 -14.649 -2.678 1.00 1.25 H new ATOM 0 HG2 PRO A 66 4.102 -14.953 -0.258 1.00 1.65 H new ATOM 0 HG3 PRO A 66 4.533 -15.052 -1.954 1.00 1.65 H new ATOM 0 HD2 PRO A 66 4.905 -12.740 -0.485 1.00 1.18 H new ATOM 0 HD3 PRO A 66 4.603 -12.700 -2.210 1.00 1.18 H new ATOM 1265 N TYR A 77 -1.303 -10.094 0.015 1.00 0.60 N ATOM 1266 CA TYR A 77 -1.010 -9.116 1.103 1.00 0.46 C ATOM 1267 C TYR A 77 -0.190 -7.951 0.537 1.00 0.38 C ATOM 1268 O TYR A 77 0.431 -8.066 -0.501 1.00 0.50 O ATOM 1269 CB TYR A 77 -0.202 -9.809 2.208 1.00 0.65 C ATOM 1270 CG TYR A 77 -0.980 -10.920 2.902 1.00 0.53 C ATOM 1271 CD1 TYR A 77 -2.292 -11.286 2.529 1.00 1.23 C ATOM 1272 CD2 TYR A 77 -0.349 -11.606 3.949 1.00 1.39 C ATOM 1273 CE1 TYR A 77 -2.948 -12.323 3.207 1.00 1.32 C ATOM 1274 CE2 TYR A 77 -1.010 -12.640 4.621 1.00 1.38 C ATOM 1275 CZ TYR A 77 -2.308 -12.998 4.251 1.00 0.70 C ATOM 1276 OH TYR A 77 -2.959 -14.017 4.916 1.00 0.90 O ATOM 0 HA TYR A 77 -1.947 -8.740 1.513 1.00 0.46 H new ATOM 0 HB2 TYR A 77 0.710 -10.224 1.779 1.00 0.65 H new ATOM 0 HB3 TYR A 77 0.102 -9.068 2.948 1.00 0.65 H new ATOM 0 HD1 TYR A 77 -2.789 -10.768 1.723 1.00 1.23 H new ATOM 0 HD2 TYR A 77 0.655 -11.334 4.239 1.00 1.39 H new ATOM 0 HE1 TYR A 77 -3.952 -12.602 2.922 1.00 1.32 H new ATOM 0 HE2 TYR A 77 -0.516 -13.162 5.427 1.00 1.38 H new ATOM 0 HH TYR A 77 -2.373 -14.380 5.612 1.00 0.90 H new ATOM 1286 N TRP A 78 -0.187 -6.828 1.213 1.00 0.32 N ATOM 1287 CA TRP A 78 0.586 -5.637 0.732 1.00 0.31 C ATOM 1288 C TRP A 78 1.408 -5.058 1.891 1.00 0.32 C ATOM 1289 O TRP A 78 1.040 -5.182 3.043 1.00 0.38 O ATOM 1290 CB TRP A 78 -0.395 -4.579 0.221 1.00 0.34 C ATOM 1291 CG TRP A 78 -1.059 -5.075 -1.024 1.00 0.34 C ATOM 1292 CD1 TRP A 78 -2.009 -6.038 -1.068 1.00 0.44 C ATOM 1293 CD2 TRP A 78 -0.850 -4.645 -2.401 1.00 0.32 C ATOM 1294 NE1 TRP A 78 -2.389 -6.233 -2.383 1.00 0.46 N ATOM 1295 CE2 TRP A 78 -1.705 -5.397 -3.243 1.00 0.38 C ATOM 1296 CE3 TRP A 78 -0.009 -3.688 -2.994 1.00 0.37 C ATOM 1297 CZ2 TRP A 78 -1.723 -5.204 -4.626 1.00 0.43 C ATOM 1298 CZ3 TRP A 78 -0.026 -3.491 -4.383 1.00 0.45 C ATOM 1299 CH2 TRP A 78 -0.880 -4.248 -5.196 1.00 0.46 C ATOM 0 H TRP A 78 -0.692 -6.683 2.087 1.00 0.32 H new ATOM 0 HA TRP A 78 1.259 -5.934 -0.073 1.00 0.31 H new ATOM 0 HB2 TRP A 78 -1.143 -4.363 0.984 1.00 0.34 H new ATOM 0 HB3 TRP A 78 0.132 -3.647 0.018 1.00 0.34 H new ATOM 0 HD1 TRP A 78 -2.406 -6.568 -0.215 1.00 0.44 H new ATOM 0 HE1 TRP A 78 -3.089 -6.912 -2.681 1.00 0.46 H new ATOM 0 HE3 TRP A 78 0.655 -3.101 -2.377 1.00 0.37 H new ATOM 0 HZ2 TRP A 78 -2.383 -5.789 -5.249 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 0.623 -2.751 -4.828 1.00 0.45 H new ATOM 0 HH2 TRP A 78 -0.886 -4.092 -6.265 1.00 0.46 H new ATOM 1310 N THR A 79 2.523 -4.433 1.603 1.00 0.33 N ATOM 1311 CA THR A 79 3.368 -3.857 2.696 1.00 0.37 C ATOM 1312 C THR A 79 4.126 -2.622 2.190 1.00 0.40 C ATOM 1313 O THR A 79 4.145 -2.331 1.009 1.00 0.45 O ATOM 1314 CB THR A 79 4.370 -4.913 3.174 1.00 0.49 C ATOM 1315 OG1 THR A 79 5.001 -4.456 4.362 1.00 0.55 O ATOM 1316 CG2 THR A 79 5.427 -5.159 2.096 1.00 0.56 C ATOM 0 H THR A 79 2.885 -4.297 0.659 1.00 0.33 H new ATOM 0 HA THR A 79 2.723 -3.559 3.523 1.00 0.37 H new ATOM 0 HB THR A 79 3.842 -5.846 3.372 1.00 0.49 H new ATOM 0 HG1 THR A 79 5.642 -5.130 4.672 1.00 0.55 H new ATOM 0 HG21 THR A 79 6.135 -5.911 2.445 1.00 0.56 H new ATOM 0 HG22 THR A 79 4.943 -5.511 1.185 1.00 0.56 H new ATOM 0 HG23 THR A 79 5.958 -4.230 1.888 1.00 0.56 H new ATOM 1324 N LEU A 80 4.749 -1.891 3.080 1.00 0.45 N ATOM 1325 CA LEU A 80 5.506 -0.672 2.663 1.00 0.53 C ATOM 1326 C LEU A 80 6.862 -1.059 2.068 1.00 0.74 C ATOM 1327 O LEU A 80 7.365 -2.146 2.273 1.00 1.42 O ATOM 1328 CB LEU A 80 5.756 0.241 3.869 1.00 0.54 C ATOM 1329 CG LEU A 80 4.451 0.886 4.350 1.00 0.63 C ATOM 1330 CD1 LEU A 80 4.724 1.645 5.654 1.00 0.86 C ATOM 1331 CD2 LEU A 80 3.911 1.864 3.290 1.00 0.81 C ATOM 0 H LEU A 80 4.766 -2.087 4.081 1.00 0.45 H new ATOM 0 HA LEU A 80 4.908 -0.150 1.916 1.00 0.53 H new ATOM 0 HB2 LEU A 80 6.201 -0.335 4.680 1.00 0.54 H new ATOM 0 HB3 LEU A 80 6.472 1.018 3.599 1.00 0.54 H new ATOM 0 HG LEU A 80 3.706 0.108 4.516 1.00 0.63 H new ATOM 0 HD11 LEU A 80 3.802 2.108 6.005 1.00 0.86 H new ATOM 0 HD12 LEU A 80 5.092 0.950 6.409 1.00 0.86 H new ATOM 0 HD13 LEU A 80 5.473 2.417 5.476 1.00 0.86 H new ATOM 0 HD21 LEU A 80 2.984 2.313 3.648 1.00 0.81 H new ATOM 0 HD22 LEU A 80 4.647 2.647 3.109 1.00 0.81 H new ATOM 0 HD23 LEU A 80 3.719 1.325 2.362 1.00 0.81 H new