USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 626 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 ASN : amide:sc= 1.21 K(o=2.3,f=-3.5!) USER MOD Set 1.2: A 64 THR OG1 : rot -65:sc= 1.09 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 0.342 (180deg=-0.0645!) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 9 TYR OH : rot 30:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.244 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 50 CYS SG : rot -16:sc= -1.42 USER MOD Single : A 52 GLN : amide:sc= 0.286 K(o=0.29,f=-0.56) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -165:sc= -0.278 (180deg=-0.931) USER MOD Single : A 66 GLN : amide:sc= -0.0174 X(o=-0.017,f=-0.41) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.739 0.653 16.215 1.00 4.11 N ATOM 2 CA MET A 1 -11.197 1.875 16.877 1.00 35.45 C ATOM 3 C MET A 1 -9.789 2.209 16.358 1.00 14.13 C ATOM 4 O MET A 1 -9.335 1.633 15.370 1.00 14.11 O ATOM 5 CB MET A 1 -11.163 1.682 18.400 1.00 75.14 C ATOM 6 CG MET A 1 -12.543 1.569 19.031 1.00 61.42 C ATOM 7 SD MET A 1 -13.537 0.252 18.299 1.00 63.11 S ATOM 8 CE MET A 1 -15.034 0.370 19.281 1.00 64.30 C ATOM 0 H1 MET A 1 -12.459 0.218 16.826 1.00 4.11 H new ATOM 0 H2 MET A 1 -12.169 0.913 15.304 1.00 4.11 H new ATOM 0 H3 MET A 1 -10.967 -0.025 16.052 1.00 4.11 H new ATOM 0 HA MET A 1 -11.856 2.709 16.636 1.00 35.45 H new ATOM 0 HB2 MET A 1 -10.592 0.783 18.631 1.00 75.14 H new ATOM 0 HB3 MET A 1 -10.633 2.521 18.852 1.00 75.14 H new ATOM 0 HG2 MET A 1 -12.435 1.386 20.100 1.00 61.42 H new ATOM 0 HG3 MET A 1 -13.067 2.518 18.921 1.00 61.42 H new ATOM 0 HE1 MET A 1 -15.748 -0.383 18.947 1.00 64.30 H new ATOM 0 HE2 MET A 1 -14.794 0.203 20.331 1.00 64.30 H new ATOM 0 HE3 MET A 1 -15.470 1.362 19.162 1.00 64.30 H new ATOM 20 N ALA A 2 -9.107 3.151 17.018 1.00 31.35 N ATOM 21 CA ALA A 2 -7.752 3.554 16.617 1.00 42.11 C ATOM 22 C ALA A 2 -6.673 2.639 17.230 1.00 31.22 C ATOM 23 O ALA A 2 -6.979 1.728 18.005 1.00 43.30 O ATOM 24 CB ALA A 2 -7.510 5.006 17.012 1.00 60.12 C ATOM 0 H ALA A 2 -9.469 3.649 17.831 1.00 31.35 H new ATOM 0 HA ALA A 2 -7.678 3.455 15.534 1.00 42.11 H new ATOM 0 HB1 ALA A 2 -6.504 5.302 16.713 1.00 60.12 H new ATOM 0 HB2 ALA A 2 -8.239 5.645 16.514 1.00 60.12 H new ATOM 0 HB3 ALA A 2 -7.613 5.111 18.092 1.00 60.12 H new ATOM 30 N GLY A 3 -5.412 2.898 16.888 1.00 62.31 N ATOM 31 CA GLY A 3 -4.309 2.062 17.351 1.00 30.23 C ATOM 32 C GLY A 3 -3.177 1.957 16.329 1.00 41.32 C ATOM 33 O GLY A 3 -3.423 1.986 15.121 1.00 10.42 O ATOM 0 H GLY A 3 -5.131 3.678 16.294 1.00 62.31 H new ATOM 0 HA2 GLY A 3 -3.915 2.470 18.282 1.00 30.23 H new ATOM 0 HA3 GLY A 3 -4.685 1.063 17.574 1.00 30.23 H new ATOM 37 N PRO A 4 -1.914 1.817 16.781 1.00 50.34 N ATOM 38 CA PRO A 4 -0.745 1.717 15.884 1.00 1.24 C ATOM 39 C PRO A 4 -0.622 0.328 15.223 1.00 64.45 C ATOM 40 O PRO A 4 0.444 -0.294 15.240 1.00 24.24 O ATOM 41 CB PRO A 4 0.430 1.977 16.835 1.00 62.00 C ATOM 42 CG PRO A 4 -0.041 1.463 18.154 1.00 74.33 C ATOM 43 CD PRO A 4 -1.525 1.745 18.204 1.00 13.14 C ATOM 0 HA PRO A 4 -0.802 2.412 15.046 1.00 1.24 H new ATOM 0 HB2 PRO A 4 1.331 1.459 16.505 1.00 62.00 H new ATOM 0 HB3 PRO A 4 0.673 3.038 16.886 1.00 62.00 H new ATOM 0 HG2 PRO A 4 0.157 0.395 18.250 1.00 74.33 H new ATOM 0 HG3 PRO A 4 0.478 1.959 18.974 1.00 74.33 H new ATOM 0 HD2 PRO A 4 -2.065 0.956 18.728 1.00 13.14 H new ATOM 0 HD3 PRO A 4 -1.738 2.678 18.725 1.00 13.14 H new ATOM 51 N GLU A 5 -1.713 -0.133 14.616 1.00 52.10 N ATOM 52 CA GLU A 5 -1.783 -1.473 14.014 1.00 3.33 C ATOM 53 C GLU A 5 -0.903 -1.595 12.760 1.00 64.22 C ATOM 54 O GLU A 5 -0.537 -2.698 12.348 1.00 62.24 O ATOM 55 CB GLU A 5 -3.242 -1.799 13.663 1.00 52.22 C ATOM 56 CG GLU A 5 -4.218 -1.585 14.819 1.00 12.25 C ATOM 57 CD GLU A 5 -3.977 -2.526 15.992 1.00 25.12 C ATOM 58 OE1 GLU A 5 -2.979 -2.338 16.728 1.00 1.13 O ATOM 59 OE2 GLU A 5 -4.794 -3.452 16.193 1.00 1.43 O ATOM 0 H GLU A 5 -2.574 0.406 14.525 1.00 52.10 H new ATOM 0 HA GLU A 5 -1.403 -2.186 14.745 1.00 3.33 H new ATOM 0 HB2 GLU A 5 -3.550 -1.180 12.821 1.00 52.22 H new ATOM 0 HB3 GLU A 5 -3.304 -2.837 13.335 1.00 52.22 H new ATOM 0 HG2 GLU A 5 -4.139 -0.555 15.166 1.00 12.25 H new ATOM 0 HG3 GLU A 5 -5.237 -1.722 14.456 1.00 12.25 H new ATOM 66 N GLY A 6 -0.567 -0.459 12.159 1.00 72.03 N ATOM 67 CA GLY A 6 0.253 -0.463 10.956 1.00 72.12 C ATOM 68 C GLY A 6 0.596 0.934 10.463 1.00 13.34 C ATOM 69 O GLY A 6 0.779 1.856 11.263 1.00 5.22 O ATOM 0 H GLY A 6 -0.847 0.467 12.482 1.00 72.03 H new ATOM 0 HA2 GLY A 6 1.176 -1.009 11.154 1.00 72.12 H new ATOM 0 HA3 GLY A 6 -0.272 -1.001 10.167 1.00 72.12 H new ATOM 73 N PHE A 7 0.669 1.095 9.144 1.00 22.40 N ATOM 74 CA PHE A 7 1.042 2.373 8.528 1.00 11.13 C ATOM 75 C PHE A 7 0.055 2.773 7.416 1.00 53.11 C ATOM 76 O PHE A 7 -0.483 1.919 6.707 1.00 64.12 O ATOM 77 CB PHE A 7 2.465 2.276 7.962 1.00 22.31 C ATOM 78 CG PHE A 7 3.504 1.909 8.997 1.00 64.02 C ATOM 79 CD1 PHE A 7 4.098 2.884 9.783 1.00 2.30 C ATOM 80 CD2 PHE A 7 3.882 0.586 9.182 1.00 42.25 C ATOM 81 CE1 PHE A 7 5.047 2.549 10.730 1.00 33.12 C ATOM 82 CE2 PHE A 7 4.831 0.246 10.129 1.00 23.21 C ATOM 83 CZ PHE A 7 5.414 1.230 10.903 1.00 43.42 C ATOM 0 H PHE A 7 0.474 0.352 8.473 1.00 22.40 H new ATOM 0 HA PHE A 7 1.005 3.145 9.296 1.00 11.13 H new ATOM 0 HB2 PHE A 7 2.480 1.533 7.165 1.00 22.31 H new ATOM 0 HB3 PHE A 7 2.734 3.232 7.512 1.00 22.31 H new ATOM 0 HD1 PHE A 7 3.816 3.918 9.654 1.00 2.30 H new ATOM 0 HD2 PHE A 7 3.429 -0.187 8.579 1.00 42.25 H new ATOM 0 HE1 PHE A 7 5.502 3.320 11.335 1.00 33.12 H new ATOM 0 HE2 PHE A 7 5.116 -0.787 10.263 1.00 23.21 H new ATOM 0 HZ PHE A 7 6.156 0.968 11.643 1.00 43.42 H new ATOM 93 N GLN A 8 -0.180 4.077 7.281 1.00 24.34 N ATOM 94 CA GLN A 8 -1.102 4.612 6.267 1.00 61.32 C ATOM 95 C GLN A 8 -0.362 4.986 4.973 1.00 25.31 C ATOM 96 O GLN A 8 0.689 5.634 5.011 1.00 54.15 O ATOM 97 CB GLN A 8 -1.834 5.855 6.810 1.00 2.45 C ATOM 98 CG GLN A 8 -2.801 5.563 7.952 1.00 21.20 C ATOM 99 CD GLN A 8 -3.461 6.820 8.509 1.00 22.12 C ATOM 100 OE1 GLN A 8 -2.882 7.901 8.504 1.00 1.44 O ATOM 101 NE2 GLN A 8 -4.682 6.690 8.986 1.00 23.23 N ATOM 0 H GLN A 8 0.257 4.791 7.864 1.00 24.34 H new ATOM 0 HA GLN A 8 -1.825 3.829 6.039 1.00 61.32 H new ATOM 0 HB2 GLN A 8 -1.094 6.578 7.152 1.00 2.45 H new ATOM 0 HB3 GLN A 8 -2.384 6.324 5.994 1.00 2.45 H new ATOM 0 HG2 GLN A 8 -3.573 4.879 7.601 1.00 21.20 H new ATOM 0 HG3 GLN A 8 -2.265 5.055 8.754 1.00 21.20 H new ATOM 0 HE21 GLN A 8 -5.139 5.778 8.977 1.00 23.23 H new ATOM 0 HE22 GLN A 8 -5.171 7.501 9.364 1.00 23.23 H new ATOM 110 N TYR A 9 -0.919 4.583 3.831 1.00 22.11 N ATOM 111 CA TYR A 9 -0.355 4.929 2.517 1.00 12.31 C ATOM 112 C TYR A 9 -1.404 5.623 1.633 1.00 52.12 C ATOM 113 O TYR A 9 -2.478 5.074 1.390 1.00 72.41 O ATOM 114 CB TYR A 9 0.168 3.668 1.812 1.00 12.42 C ATOM 115 CG TYR A 9 1.287 2.962 2.560 1.00 41.25 C ATOM 116 CD1 TYR A 9 2.609 3.365 2.412 1.00 5.54 C ATOM 117 CD2 TYR A 9 1.022 1.890 3.409 1.00 35.51 C ATOM 118 CE1 TYR A 9 3.631 2.723 3.085 1.00 21.41 C ATOM 119 CE2 TYR A 9 2.039 1.244 4.083 1.00 34.21 C ATOM 120 CZ TYR A 9 3.342 1.662 3.918 1.00 41.13 C ATOM 121 OH TYR A 9 4.359 1.019 4.586 1.00 50.11 O ATOM 0 H TYR A 9 -1.764 4.014 3.785 1.00 22.11 H new ATOM 0 HA TYR A 9 0.473 5.619 2.678 1.00 12.31 H new ATOM 0 HB2 TYR A 9 -0.659 2.972 1.674 1.00 12.42 H new ATOM 0 HB3 TYR A 9 0.524 3.941 0.819 1.00 12.42 H new ATOM 0 HD1 TYR A 9 2.841 4.194 1.760 1.00 5.54 H new ATOM 0 HD2 TYR A 9 0.003 1.558 3.542 1.00 35.51 H new ATOM 0 HE1 TYR A 9 4.652 3.051 2.959 1.00 21.41 H new ATOM 0 HE2 TYR A 9 1.815 0.414 4.737 1.00 34.21 H new ATOM 0 HH TYR A 9 5.085 1.653 4.765 1.00 50.11 H new ATOM 131 N ARG A 10 -1.091 6.823 1.147 1.00 4.13 N ATOM 132 CA ARG A 10 -2.031 7.580 0.307 1.00 41.42 C ATOM 133 C ARG A 10 -1.710 7.398 -1.186 1.00 43.51 C ATOM 134 O ARG A 10 -0.645 7.806 -1.652 1.00 21.53 O ATOM 135 CB ARG A 10 -1.986 9.074 0.671 1.00 32.23 C ATOM 136 CG ARG A 10 -2.930 9.949 -0.156 1.00 33.04 C ATOM 137 CD ARG A 10 -2.758 11.434 0.159 1.00 45.31 C ATOM 138 NE ARG A 10 -3.143 11.769 1.534 1.00 3.23 N ATOM 139 CZ ARG A 10 -2.420 12.492 2.351 1.00 32.31 C ATOM 140 NH1 ARG A 10 -1.247 12.916 2.003 1.00 41.13 N ATOM 141 NH2 ARG A 10 -2.869 12.779 3.525 1.00 22.31 N ATOM 0 H ARG A 10 -0.202 7.293 1.316 1.00 4.13 H new ATOM 0 HA ARG A 10 -3.033 7.194 0.493 1.00 41.42 H new ATOM 0 HB2 ARG A 10 -2.235 9.187 1.726 1.00 32.23 H new ATOM 0 HB3 ARG A 10 -0.966 9.437 0.543 1.00 32.23 H new ATOM 0 HG2 ARG A 10 -2.745 9.780 -1.217 1.00 33.04 H new ATOM 0 HG3 ARG A 10 -3.961 9.654 0.039 1.00 33.04 H new ATOM 0 HD2 ARG A 10 -1.718 11.717 -0.002 1.00 45.31 H new ATOM 0 HD3 ARG A 10 -3.359 12.021 -0.536 1.00 45.31 H new ATOM 0 HE ARG A 10 -4.036 11.414 1.877 1.00 3.23 H new ATOM 0 HH11 ARG A 10 -0.875 12.687 1.081 1.00 41.13 H new ATOM 0 HH12 ARG A 10 -0.695 13.479 2.651 1.00 41.13 H new ATOM 0 HH21 ARG A 10 -3.787 12.443 3.816 1.00 22.31 H new ATOM 0 HH22 ARG A 10 -2.306 13.342 4.163 1.00 22.31 H new ATOM 155 N ALA A 11 -2.631 6.783 -1.927 1.00 44.43 N ATOM 156 CA ALA A 11 -2.459 6.577 -3.368 1.00 61.11 C ATOM 157 C ALA A 11 -2.529 7.908 -4.133 1.00 44.41 C ATOM 158 O ALA A 11 -3.590 8.516 -4.241 1.00 44.11 O ATOM 159 CB ALA A 11 -3.507 5.600 -3.894 1.00 40.22 C ATOM 0 H ALA A 11 -3.507 6.417 -1.554 1.00 44.43 H new ATOM 0 HA ALA A 11 -1.470 6.150 -3.532 1.00 61.11 H new ATOM 0 HB1 ALA A 11 -3.366 5.457 -4.965 1.00 40.22 H new ATOM 0 HB2 ALA A 11 -3.401 4.643 -3.383 1.00 40.22 H new ATOM 0 HB3 ALA A 11 -4.504 6.001 -3.709 1.00 40.22 H new ATOM 165 N LEU A 12 -1.389 8.360 -4.648 1.00 52.23 N ATOM 166 CA LEU A 12 -1.315 9.640 -5.363 1.00 2.34 C ATOM 167 C LEU A 12 -1.720 9.504 -6.838 1.00 34.14 C ATOM 168 O LEU A 12 -2.229 10.452 -7.443 1.00 61.33 O ATOM 169 CB LEU A 12 0.106 10.212 -5.266 1.00 50.53 C ATOM 170 CG LEU A 12 0.617 10.455 -3.835 1.00 23.05 C ATOM 171 CD1 LEU A 12 2.032 11.029 -3.851 1.00 2.52 C ATOM 172 CD2 LEU A 12 -0.332 11.377 -3.073 1.00 14.41 C ATOM 0 H LEU A 12 -0.501 7.862 -4.586 1.00 52.23 H new ATOM 0 HA LEU A 12 -2.023 10.320 -4.888 1.00 2.34 H new ATOM 0 HB2 LEU A 12 0.791 9.529 -5.768 1.00 50.53 H new ATOM 0 HB3 LEU A 12 0.139 11.155 -5.812 1.00 50.53 H new ATOM 0 HG LEU A 12 0.649 9.495 -3.319 1.00 23.05 H new ATOM 0 HD11 LEU A 12 2.370 11.192 -2.828 1.00 2.52 H new ATOM 0 HD12 LEU A 12 2.703 10.329 -4.348 1.00 2.52 H new ATOM 0 HD13 LEU A 12 2.034 11.977 -4.389 1.00 2.52 H new ATOM 0 HD21 LEU A 12 0.048 11.536 -2.064 1.00 14.41 H new ATOM 0 HD22 LEU A 12 -0.402 12.334 -3.589 1.00 14.41 H new ATOM 0 HD23 LEU A 12 -1.320 10.920 -3.021 1.00 14.41 H new ATOM 184 N TYR A 13 -1.489 8.331 -7.419 1.00 32.31 N ATOM 185 CA TYR A 13 -1.780 8.104 -8.842 1.00 61.43 C ATOM 186 C TYR A 13 -2.722 6.907 -9.042 1.00 63.33 C ATOM 187 O TYR A 13 -2.542 5.858 -8.421 1.00 61.00 O ATOM 188 CB TYR A 13 -0.474 7.867 -9.614 1.00 33.20 C ATOM 189 CG TYR A 13 0.553 8.969 -9.420 1.00 14.43 C ATOM 190 CD1 TYR A 13 0.414 10.200 -10.053 1.00 0.52 C ATOM 191 CD2 TYR A 13 1.661 8.777 -8.598 1.00 45.23 C ATOM 192 CE1 TYR A 13 1.347 11.204 -9.874 1.00 24.10 C ATOM 193 CE2 TYR A 13 2.597 9.778 -8.418 1.00 41.11 C ATOM 194 CZ TYR A 13 2.433 10.987 -9.057 1.00 73.02 C ATOM 195 OH TYR A 13 3.359 11.989 -8.876 1.00 31.43 O ATOM 0 H TYR A 13 -1.103 7.521 -6.934 1.00 32.31 H new ATOM 0 HA TYR A 13 -2.278 8.995 -9.225 1.00 61.43 H new ATOM 0 HB2 TYR A 13 -0.041 6.918 -9.297 1.00 33.20 H new ATOM 0 HB3 TYR A 13 -0.701 7.775 -10.676 1.00 33.20 H new ATOM 0 HD1 TYR A 13 -0.437 10.374 -10.695 1.00 0.52 H new ATOM 0 HD2 TYR A 13 1.791 7.831 -8.093 1.00 45.23 H new ATOM 0 HE1 TYR A 13 1.224 12.154 -10.373 1.00 24.10 H new ATOM 0 HE2 TYR A 13 3.452 9.613 -7.780 1.00 41.11 H new ATOM 0 HH TYR A 13 4.064 11.678 -8.270 1.00 31.43 H new ATOM 205 N PRO A 14 -3.745 7.045 -9.912 1.00 32.31 N ATOM 206 CA PRO A 14 -4.662 5.940 -10.228 1.00 31.42 C ATOM 207 C PRO A 14 -3.983 4.819 -11.034 1.00 10.22 C ATOM 208 O PRO A 14 -3.495 5.039 -12.148 1.00 3.14 O ATOM 209 CB PRO A 14 -5.767 6.608 -11.057 1.00 51.14 C ATOM 210 CG PRO A 14 -5.126 7.825 -11.638 1.00 61.43 C ATOM 211 CD PRO A 14 -4.094 8.282 -10.638 1.00 31.55 C ATOM 0 HA PRO A 14 -5.029 5.453 -9.325 1.00 31.42 H new ATOM 0 HB2 PRO A 14 -6.132 5.942 -11.839 1.00 51.14 H new ATOM 0 HB3 PRO A 14 -6.623 6.870 -10.436 1.00 51.14 H new ATOM 0 HG2 PRO A 14 -4.663 7.599 -12.598 1.00 61.43 H new ATOM 0 HG3 PRO A 14 -5.866 8.605 -11.817 1.00 61.43 H new ATOM 0 HD2 PRO A 14 -3.224 8.718 -11.130 1.00 31.55 H new ATOM 0 HD3 PRO A 14 -4.495 9.042 -9.967 1.00 31.55 H new ATOM 219 N PHE A 15 -3.970 3.616 -10.467 1.00 50.51 N ATOM 220 CA PHE A 15 -3.358 2.453 -11.113 1.00 24.43 C ATOM 221 C PHE A 15 -4.372 1.311 -11.287 1.00 13.42 C ATOM 222 O PHE A 15 -4.819 0.711 -10.311 1.00 43.51 O ATOM 223 CB PHE A 15 -2.155 1.967 -10.287 1.00 2.33 C ATOM 224 CG PHE A 15 -1.537 0.689 -10.806 1.00 62.41 C ATOM 225 CD1 PHE A 15 -0.704 0.705 -11.916 1.00 74.13 C ATOM 226 CD2 PHE A 15 -1.798 -0.528 -10.188 1.00 72.14 C ATOM 227 CE1 PHE A 15 -0.144 -0.464 -12.398 1.00 35.41 C ATOM 228 CE2 PHE A 15 -1.239 -1.699 -10.665 1.00 72.31 C ATOM 229 CZ PHE A 15 -0.412 -1.667 -11.771 1.00 32.12 C ATOM 0 H PHE A 15 -4.379 3.418 -9.554 1.00 50.51 H new ATOM 0 HA PHE A 15 -3.020 2.756 -12.104 1.00 24.43 H new ATOM 0 HB2 PHE A 15 -1.395 2.748 -10.274 1.00 2.33 H new ATOM 0 HB3 PHE A 15 -2.472 1.814 -9.255 1.00 2.33 H new ATOM 0 HD1 PHE A 15 -0.491 1.642 -12.409 1.00 74.13 H new ATOM 0 HD2 PHE A 15 -2.446 -0.559 -9.324 1.00 72.14 H new ATOM 0 HE1 PHE A 15 0.502 -0.437 -13.263 1.00 35.41 H new ATOM 0 HE2 PHE A 15 -1.449 -2.638 -10.174 1.00 72.31 H new ATOM 0 HZ PHE A 15 0.025 -2.581 -12.146 1.00 32.12 H new ATOM 239 N ARG A 16 -4.739 1.022 -12.533 1.00 13.12 N ATOM 240 CA ARG A 16 -5.596 -0.129 -12.837 1.00 14.23 C ATOM 241 C ARG A 16 -4.771 -1.272 -13.449 1.00 64.04 C ATOM 242 O ARG A 16 -4.126 -1.105 -14.487 1.00 23.22 O ATOM 243 CB ARG A 16 -6.749 0.277 -13.775 1.00 44.33 C ATOM 244 CG ARG A 16 -6.302 0.922 -15.086 1.00 51.14 C ATOM 245 CD ARG A 16 -7.492 1.285 -15.972 1.00 42.52 C ATOM 246 NE ARG A 16 -8.414 2.213 -15.315 1.00 14.11 N ATOM 247 CZ ARG A 16 -9.621 2.470 -15.744 1.00 24.44 C ATOM 248 NH1 ARG A 16 -10.071 1.913 -16.824 1.00 51.50 N ATOM 249 NH2 ARG A 16 -10.381 3.290 -15.089 1.00 11.22 N ATOM 0 H ARG A 16 -4.459 1.566 -13.349 1.00 13.12 H new ATOM 0 HA ARG A 16 -6.031 -0.484 -11.903 1.00 14.23 H new ATOM 0 HB2 ARG A 16 -7.343 -0.608 -14.004 1.00 44.33 H new ATOM 0 HB3 ARG A 16 -7.402 0.972 -13.247 1.00 44.33 H new ATOM 0 HG2 ARG A 16 -5.722 1.819 -14.871 1.00 51.14 H new ATOM 0 HG3 ARG A 16 -5.644 0.238 -15.622 1.00 51.14 H new ATOM 0 HD2 ARG A 16 -7.129 1.732 -16.898 1.00 42.52 H new ATOM 0 HD3 ARG A 16 -8.029 0.376 -16.245 1.00 42.52 H new ATOM 0 HE ARG A 16 -8.095 2.688 -14.471 1.00 14.11 H new ATOM 0 HH11 ARG A 16 -9.481 1.267 -17.348 1.00 51.50 H new ATOM 0 HH12 ARG A 16 -11.015 2.121 -17.150 1.00 51.50 H new ATOM 0 HH21 ARG A 16 -10.037 3.735 -14.238 1.00 11.22 H new ATOM 0 HH22 ARG A 16 -11.323 3.490 -15.424 1.00 11.22 H new ATOM 263 N ARG A 17 -4.775 -2.425 -12.787 1.00 60.40 N ATOM 264 CA ARG A 17 -4.012 -3.589 -13.251 1.00 24.42 C ATOM 265 C ARG A 17 -4.682 -4.257 -14.467 1.00 62.33 C ATOM 266 O ARG A 17 -5.900 -4.181 -14.640 1.00 40.43 O ATOM 267 CB ARG A 17 -3.859 -4.613 -12.111 1.00 53.21 C ATOM 268 CG ARG A 17 -3.019 -5.835 -12.484 1.00 4.10 C ATOM 269 CD ARG A 17 -1.535 -5.504 -12.605 1.00 24.03 C ATOM 270 NE ARG A 17 -0.800 -6.556 -13.307 1.00 71.43 N ATOM 271 CZ ARG A 17 0.274 -7.149 -12.850 1.00 44.43 C ATOM 272 NH1 ARG A 17 0.673 -6.966 -11.632 1.00 10.31 N ATOM 273 NH2 ARG A 17 0.910 -7.981 -13.605 1.00 4.24 N ATOM 0 H ARG A 17 -5.298 -2.583 -11.925 1.00 60.40 H new ATOM 0 HA ARG A 17 -3.027 -3.238 -13.559 1.00 24.42 H new ATOM 0 HB2 ARG A 17 -3.404 -4.120 -11.252 1.00 53.21 H new ATOM 0 HB3 ARG A 17 -4.849 -4.946 -11.800 1.00 53.21 H new ATOM 0 HG2 ARG A 17 -3.155 -6.610 -11.730 1.00 4.10 H new ATOM 0 HG3 ARG A 17 -3.376 -6.243 -13.430 1.00 4.10 H new ATOM 0 HD2 ARG A 17 -1.415 -4.560 -13.137 1.00 24.03 H new ATOM 0 HD3 ARG A 17 -1.111 -5.366 -11.610 1.00 24.03 H new ATOM 0 HE ARG A 17 -1.150 -6.849 -14.219 1.00 71.43 H new ATOM 0 HH11 ARG A 17 0.148 -6.351 -11.010 1.00 10.31 H new ATOM 0 HH12 ARG A 17 1.512 -7.437 -11.294 1.00 10.31 H new ATOM 0 HH21 ARG A 17 0.575 -8.172 -14.549 1.00 4.24 H new ATOM 0 HH22 ARG A 17 1.748 -8.448 -13.257 1.00 4.24 H new ATOM 287 N GLU A 18 -3.868 -4.893 -15.316 1.00 72.52 N ATOM 288 CA GLU A 18 -4.378 -5.668 -16.459 1.00 0.04 C ATOM 289 C GLU A 18 -5.385 -6.735 -15.994 1.00 4.22 C ATOM 290 O GLU A 18 -6.467 -6.888 -16.568 1.00 60.32 O ATOM 291 CB GLU A 18 -3.214 -6.351 -17.201 1.00 5.21 C ATOM 292 CG GLU A 18 -2.097 -5.405 -17.634 1.00 43.40 C ATOM 293 CD GLU A 18 -2.558 -4.348 -18.629 1.00 60.51 C ATOM 294 OE1 GLU A 18 -2.773 -4.697 -19.810 1.00 55.25 O ATOM 295 OE2 GLU A 18 -2.694 -3.168 -18.239 1.00 24.22 O ATOM 0 H GLU A 18 -2.851 -4.888 -15.235 1.00 72.52 H new ATOM 0 HA GLU A 18 -4.884 -4.978 -17.134 1.00 0.04 H new ATOM 0 HB2 GLU A 18 -2.791 -7.121 -16.556 1.00 5.21 H new ATOM 0 HB3 GLU A 18 -3.608 -6.855 -18.083 1.00 5.21 H new ATOM 0 HG2 GLU A 18 -1.686 -4.911 -16.753 1.00 43.40 H new ATOM 0 HG3 GLU A 18 -1.290 -5.986 -18.079 1.00 43.40 H new ATOM 302 N ARG A 19 -5.002 -7.475 -14.956 1.00 62.33 N ATOM 303 CA ARG A 19 -5.864 -8.493 -14.346 1.00 62.42 C ATOM 304 C ARG A 19 -6.411 -8.025 -12.983 1.00 32.23 C ATOM 305 O ARG A 19 -5.762 -7.251 -12.281 1.00 22.31 O ATOM 306 CB ARG A 19 -5.069 -9.793 -14.161 1.00 51.23 C ATOM 307 CG ARG A 19 -4.700 -10.492 -15.465 1.00 43.42 C ATOM 308 CD ARG A 19 -5.934 -10.991 -16.209 1.00 45.44 C ATOM 309 NE ARG A 19 -6.736 -11.898 -15.391 1.00 41.00 N ATOM 310 CZ ARG A 19 -7.832 -12.481 -15.796 1.00 33.30 C ATOM 311 NH1 ARG A 19 -8.266 -12.314 -17.004 1.00 75.33 N ATOM 312 NH2 ARG A 19 -8.492 -13.240 -14.988 1.00 21.40 N ATOM 0 H ARG A 19 -4.088 -7.389 -14.512 1.00 62.33 H new ATOM 0 HA ARG A 19 -6.711 -8.663 -15.011 1.00 62.42 H new ATOM 0 HB2 ARG A 19 -4.155 -9.571 -13.610 1.00 51.23 H new ATOM 0 HB3 ARG A 19 -5.653 -10.479 -13.547 1.00 51.23 H new ATOM 0 HG2 ARG A 19 -4.145 -9.803 -16.102 1.00 43.42 H new ATOM 0 HG3 ARG A 19 -4.039 -11.332 -15.253 1.00 43.42 H new ATOM 0 HD2 ARG A 19 -6.544 -10.140 -16.511 1.00 45.44 H new ATOM 0 HD3 ARG A 19 -5.626 -11.502 -17.121 1.00 45.44 H new ATOM 0 HE ARG A 19 -6.419 -12.088 -14.441 1.00 41.00 H new ATOM 0 HH11 ARG A 19 -7.750 -11.721 -17.654 1.00 75.33 H new ATOM 0 HH12 ARG A 19 -9.124 -12.776 -17.306 1.00 75.33 H new ATOM 0 HH21 ARG A 19 -8.157 -13.384 -14.035 1.00 21.40 H new ATOM 0 HH22 ARG A 19 -9.348 -13.696 -15.302 1.00 21.40 H new ATOM 326 N PRO A 20 -7.604 -8.509 -12.581 1.00 61.12 N ATOM 327 CA PRO A 20 -8.206 -8.173 -11.271 1.00 32.04 C ATOM 328 C PRO A 20 -7.518 -8.882 -10.086 1.00 40.11 C ATOM 329 O PRO A 20 -7.977 -8.795 -8.943 1.00 63.34 O ATOM 330 CB PRO A 20 -9.655 -8.654 -11.427 1.00 72.43 C ATOM 331 CG PRO A 20 -9.571 -9.780 -12.403 1.00 64.31 C ATOM 332 CD PRO A 20 -8.474 -9.409 -13.370 1.00 45.25 C ATOM 0 HA PRO A 20 -8.109 -7.112 -11.039 1.00 32.04 H new ATOM 0 HB2 PRO A 20 -10.068 -8.984 -10.474 1.00 72.43 H new ATOM 0 HB3 PRO A 20 -10.301 -7.857 -11.795 1.00 72.43 H new ATOM 0 HG2 PRO A 20 -9.345 -10.719 -11.897 1.00 64.31 H new ATOM 0 HG3 PRO A 20 -10.519 -9.918 -12.922 1.00 64.31 H new ATOM 0 HD2 PRO A 20 -7.931 -10.288 -13.717 1.00 45.25 H new ATOM 0 HD3 PRO A 20 -8.871 -8.910 -14.254 1.00 45.25 H new ATOM 340 N GLU A 21 -6.427 -9.592 -10.373 1.00 44.51 N ATOM 341 CA GLU A 21 -5.665 -10.332 -9.358 1.00 4.24 C ATOM 342 C GLU A 21 -4.978 -9.391 -8.348 1.00 34.42 C ATOM 343 O GLU A 21 -4.853 -9.721 -7.165 1.00 62.01 O ATOM 344 CB GLU A 21 -4.630 -11.224 -10.061 1.00 34.25 C ATOM 345 CG GLU A 21 -3.706 -11.996 -9.124 1.00 43.54 C ATOM 346 CD GLU A 21 -2.829 -12.996 -9.863 1.00 4.12 C ATOM 347 OE1 GLU A 21 -1.998 -12.565 -10.693 1.00 35.43 O ATOM 348 OE2 GLU A 21 -2.980 -14.217 -9.634 1.00 23.35 O ATOM 0 H GLU A 21 -6.044 -9.673 -11.315 1.00 44.51 H new ATOM 0 HA GLU A 21 -6.359 -10.949 -8.788 1.00 4.24 H new ATOM 0 HB2 GLU A 21 -5.157 -11.936 -10.696 1.00 34.25 H new ATOM 0 HB3 GLU A 21 -4.021 -10.602 -10.717 1.00 34.25 H new ATOM 0 HG2 GLU A 21 -3.073 -11.293 -8.583 1.00 43.54 H new ATOM 0 HG3 GLU A 21 -4.305 -12.523 -8.381 1.00 43.54 H new ATOM 355 N ASP A 22 -4.538 -8.225 -8.820 1.00 41.25 N ATOM 356 CA ASP A 22 -3.902 -7.209 -7.964 1.00 70.55 C ATOM 357 C ASP A 22 -4.955 -6.308 -7.275 1.00 2.01 C ATOM 358 O ASP A 22 -6.121 -6.688 -7.138 1.00 63.51 O ATOM 359 CB ASP A 22 -2.951 -6.346 -8.808 1.00 41.44 C ATOM 360 CG ASP A 22 -1.840 -7.151 -9.471 1.00 3.52 C ATOM 361 OD1 ASP A 22 -2.150 -8.129 -10.190 1.00 53.13 O ATOM 362 OD2 ASP A 22 -0.654 -6.792 -9.298 1.00 44.51 O ATOM 0 H ASP A 22 -4.609 -7.953 -9.801 1.00 41.25 H new ATOM 0 HA ASP A 22 -3.341 -7.725 -7.185 1.00 70.55 H new ATOM 0 HB2 ASP A 22 -3.525 -5.829 -9.577 1.00 41.44 H new ATOM 0 HB3 ASP A 22 -2.506 -5.579 -8.173 1.00 41.44 H new ATOM 367 N LEU A 23 -4.531 -5.129 -6.809 1.00 12.12 N ATOM 368 CA LEU A 23 -5.454 -4.147 -6.216 1.00 1.51 C ATOM 369 C LEU A 23 -5.326 -2.774 -6.904 1.00 44.13 C ATOM 370 O LEU A 23 -4.237 -2.200 -6.969 1.00 15.14 O ATOM 371 CB LEU A 23 -5.190 -4.006 -4.706 1.00 2.12 C ATOM 372 CG LEU A 23 -6.146 -3.066 -3.947 1.00 30.43 C ATOM 373 CD1 LEU A 23 -7.591 -3.551 -4.063 1.00 41.31 C ATOM 374 CD2 LEU A 23 -5.734 -2.947 -2.480 1.00 4.10 C ATOM 0 H LEU A 23 -3.556 -4.829 -6.829 1.00 12.12 H new ATOM 0 HA LEU A 23 -6.470 -4.511 -6.368 1.00 1.51 H new ATOM 0 HB2 LEU A 23 -5.246 -4.995 -4.252 1.00 2.12 H new ATOM 0 HB3 LEU A 23 -4.170 -3.648 -4.566 1.00 2.12 H new ATOM 0 HG LEU A 23 -6.082 -2.078 -4.402 1.00 30.43 H new ATOM 0 HD11 LEU A 23 -8.248 -2.872 -3.519 1.00 41.31 H new ATOM 0 HD12 LEU A 23 -7.883 -3.576 -5.113 1.00 41.31 H new ATOM 0 HD13 LEU A 23 -7.674 -4.552 -3.640 1.00 41.31 H new ATOM 0 HD21 LEU A 23 -6.422 -2.279 -1.962 1.00 4.10 H new ATOM 0 HD22 LEU A 23 -5.763 -3.931 -2.013 1.00 4.10 H new ATOM 0 HD23 LEU A 23 -4.722 -2.546 -2.418 1.00 4.10 H new ATOM 386 N GLU A 24 -6.442 -2.257 -7.420 1.00 5.13 N ATOM 387 CA GLU A 24 -6.450 -0.966 -8.122 1.00 32.41 C ATOM 388 C GLU A 24 -6.288 0.221 -7.150 1.00 13.44 C ATOM 389 O GLU A 24 -6.877 0.245 -6.069 1.00 40.50 O ATOM 390 CB GLU A 24 -7.745 -0.787 -8.939 1.00 62.30 C ATOM 391 CG GLU A 24 -7.999 -1.879 -9.985 1.00 74.13 C ATOM 392 CD GLU A 24 -8.650 -3.129 -9.403 1.00 15.11 C ATOM 393 OE1 GLU A 24 -7.928 -4.021 -8.924 1.00 13.04 O ATOM 394 OE2 GLU A 24 -9.899 -3.216 -9.415 1.00 42.54 O ATOM 0 H GLU A 24 -7.354 -2.710 -7.367 1.00 5.13 H new ATOM 0 HA GLU A 24 -5.596 -0.974 -8.799 1.00 32.41 H new ATOM 0 HB2 GLU A 24 -8.591 -0.757 -8.252 1.00 62.30 H new ATOM 0 HB3 GLU A 24 -7.710 0.179 -9.443 1.00 62.30 H new ATOM 0 HG2 GLU A 24 -8.637 -1.478 -10.772 1.00 74.13 H new ATOM 0 HG3 GLU A 24 -7.053 -2.154 -10.451 1.00 74.13 H new ATOM 401 N LEU A 25 -5.488 1.208 -7.557 1.00 51.22 N ATOM 402 CA LEU A 25 -5.238 2.407 -6.742 1.00 34.32 C ATOM 403 C LEU A 25 -5.972 3.637 -7.304 1.00 72.24 C ATOM 404 O LEU A 25 -6.003 3.851 -8.516 1.00 35.24 O ATOM 405 CB LEU A 25 -3.728 2.689 -6.680 1.00 52.02 C ATOM 406 CG LEU A 25 -2.880 1.573 -6.053 1.00 44.15 C ATOM 407 CD1 LEU A 25 -1.394 1.928 -6.101 1.00 54.05 C ATOM 408 CD2 LEU A 25 -3.329 1.307 -4.619 1.00 31.52 C ATOM 0 H LEU A 25 -4.998 1.204 -8.451 1.00 51.22 H new ATOM 0 HA LEU A 25 -5.620 2.216 -5.739 1.00 34.32 H new ATOM 0 HB2 LEU A 25 -3.367 2.873 -7.692 1.00 52.02 H new ATOM 0 HB3 LEU A 25 -3.569 3.606 -6.113 1.00 52.02 H new ATOM 0 HG LEU A 25 -3.026 0.662 -6.633 1.00 44.15 H new ATOM 0 HD11 LEU A 25 -0.813 1.123 -5.651 1.00 54.05 H new ATOM 0 HD12 LEU A 25 -1.085 2.063 -7.138 1.00 54.05 H new ATOM 0 HD13 LEU A 25 -1.223 2.852 -5.548 1.00 54.05 H new ATOM 0 HD21 LEU A 25 -2.719 0.513 -4.188 1.00 31.52 H new ATOM 0 HD22 LEU A 25 -3.214 2.215 -4.027 1.00 31.52 H new ATOM 0 HD23 LEU A 25 -4.375 1.002 -4.616 1.00 31.52 H new ATOM 420 N LEU A 26 -6.572 4.435 -6.415 1.00 50.24 N ATOM 421 CA LEU A 26 -7.256 5.683 -6.806 1.00 62.14 C ATOM 422 C LEU A 26 -6.627 6.899 -6.096 1.00 41.41 C ATOM 423 O LEU A 26 -6.247 6.813 -4.928 1.00 3.10 O ATOM 424 CB LEU A 26 -8.764 5.609 -6.478 1.00 51.10 C ATOM 425 CG LEU A 26 -9.652 4.866 -7.504 1.00 5.35 C ATOM 426 CD1 LEU A 26 -9.560 5.527 -8.877 1.00 14.02 C ATOM 427 CD2 LEU A 26 -9.280 3.388 -7.595 1.00 33.03 C ATOM 0 H LEU A 26 -6.601 4.242 -5.414 1.00 50.24 H new ATOM 0 HA LEU A 26 -7.136 5.804 -7.883 1.00 62.14 H new ATOM 0 HB2 LEU A 26 -8.880 5.123 -5.509 1.00 51.10 H new ATOM 0 HB3 LEU A 26 -9.141 6.626 -6.372 1.00 51.10 H new ATOM 0 HG LEU A 26 -10.683 4.930 -7.157 1.00 5.35 H new ATOM 0 HD11 LEU A 26 -10.192 4.989 -9.583 1.00 14.02 H new ATOM 0 HD12 LEU A 26 -9.895 6.562 -8.806 1.00 14.02 H new ATOM 0 HD13 LEU A 26 -8.527 5.503 -9.224 1.00 14.02 H new ATOM 0 HD21 LEU A 26 -9.923 2.895 -8.324 1.00 33.03 H new ATOM 0 HD22 LEU A 26 -8.239 3.293 -7.906 1.00 33.03 H new ATOM 0 HD23 LEU A 26 -9.412 2.919 -6.620 1.00 33.03 H new ATOM 439 N PRO A 27 -6.526 8.055 -6.787 1.00 5.11 N ATOM 440 CA PRO A 27 -5.874 9.257 -6.233 1.00 60.21 C ATOM 441 C PRO A 27 -6.639 9.854 -5.040 1.00 52.31 C ATOM 442 O PRO A 27 -7.787 10.281 -5.172 1.00 21.32 O ATOM 443 CB PRO A 27 -5.860 10.235 -7.420 1.00 5.44 C ATOM 444 CG PRO A 27 -6.986 9.790 -8.291 1.00 30.43 C ATOM 445 CD PRO A 27 -7.046 8.293 -8.150 1.00 3.34 C ATOM 0 HA PRO A 27 -4.883 9.034 -5.837 1.00 60.21 H new ATOM 0 HB2 PRO A 27 -5.999 11.264 -7.087 1.00 5.44 H new ATOM 0 HB3 PRO A 27 -4.909 10.198 -7.952 1.00 5.44 H new ATOM 0 HG2 PRO A 27 -7.925 10.250 -7.982 1.00 30.43 H new ATOM 0 HG3 PRO A 27 -6.816 10.079 -9.328 1.00 30.43 H new ATOM 0 HD2 PRO A 27 -8.064 7.920 -8.262 1.00 3.34 H new ATOM 0 HD3 PRO A 27 -6.438 7.794 -8.905 1.00 3.34 H new ATOM 453 N GLY A 28 -5.996 9.875 -3.874 1.00 51.32 N ATOM 454 CA GLY A 28 -6.628 10.405 -2.670 1.00 11.05 C ATOM 455 C GLY A 28 -7.075 9.318 -1.695 1.00 30.31 C ATOM 456 O GLY A 28 -7.499 9.620 -0.577 1.00 11.51 O ATOM 0 H GLY A 28 -5.044 9.533 -3.739 1.00 51.32 H new ATOM 0 HA2 GLY A 28 -5.929 11.072 -2.165 1.00 11.05 H new ATOM 0 HA3 GLY A 28 -7.492 11.005 -2.955 1.00 11.05 H new ATOM 460 N ASP A 29 -6.989 8.055 -2.115 1.00 1.23 N ATOM 461 CA ASP A 29 -7.362 6.921 -1.260 1.00 2.43 C ATOM 462 C ASP A 29 -6.250 6.620 -0.237 1.00 42.35 C ATOM 463 O ASP A 29 -5.061 6.667 -0.566 1.00 61.25 O ATOM 464 CB ASP A 29 -7.641 5.684 -2.127 1.00 22.32 C ATOM 465 CG ASP A 29 -8.284 4.549 -1.344 1.00 40.45 C ATOM 466 OD1 ASP A 29 -7.563 3.807 -0.652 1.00 30.33 O ATOM 467 OD2 ASP A 29 -9.515 4.391 -1.427 1.00 14.33 O ATOM 0 H ASP A 29 -6.664 7.788 -3.044 1.00 1.23 H new ATOM 0 HA ASP A 29 -8.267 7.181 -0.710 1.00 2.43 H new ATOM 0 HB2 ASP A 29 -8.294 5.965 -2.953 1.00 22.32 H new ATOM 0 HB3 ASP A 29 -6.706 5.334 -2.564 1.00 22.32 H new ATOM 472 N VAL A 30 -6.634 6.323 1.003 1.00 22.01 N ATOM 473 CA VAL A 30 -5.665 6.023 2.062 1.00 50.15 C ATOM 474 C VAL A 30 -5.733 4.542 2.466 1.00 3.31 C ATOM 475 O VAL A 30 -6.586 4.139 3.263 1.00 71.43 O ATOM 476 CB VAL A 30 -5.898 6.911 3.312 1.00 11.24 C ATOM 477 CG1 VAL A 30 -4.884 6.589 4.413 1.00 71.33 C ATOM 478 CG2 VAL A 30 -5.842 8.389 2.932 1.00 44.22 C ATOM 0 H VAL A 30 -7.608 6.283 1.302 1.00 22.01 H new ATOM 0 HA VAL A 30 -4.675 6.239 1.661 1.00 50.15 H new ATOM 0 HB VAL A 30 -6.891 6.695 3.705 1.00 11.24 H new ATOM 0 HG11 VAL A 30 -5.071 7.226 5.277 1.00 71.33 H new ATOM 0 HG12 VAL A 30 -4.983 5.543 4.705 1.00 71.33 H new ATOM 0 HG13 VAL A 30 -3.875 6.768 4.042 1.00 71.33 H new ATOM 0 HG21 VAL A 30 -6.007 8.999 3.820 1.00 44.22 H new ATOM 0 HG22 VAL A 30 -4.864 8.619 2.510 1.00 44.22 H new ATOM 0 HG23 VAL A 30 -6.615 8.605 2.194 1.00 44.22 H new ATOM 488 N LEU A 31 -4.831 3.737 1.911 1.00 22.12 N ATOM 489 CA LEU A 31 -4.813 2.297 2.176 1.00 25.41 C ATOM 490 C LEU A 31 -4.116 1.978 3.509 1.00 13.34 C ATOM 491 O LEU A 31 -2.983 2.404 3.752 1.00 70.30 O ATOM 492 CB LEU A 31 -4.124 1.538 1.026 1.00 60.02 C ATOM 493 CG LEU A 31 -4.787 1.684 -0.359 1.00 45.51 C ATOM 494 CD1 LEU A 31 -4.422 3.016 -1.010 1.00 72.04 C ATOM 495 CD2 LEU A 31 -4.406 0.518 -1.266 1.00 4.31 C ATOM 0 H LEU A 31 -4.101 4.056 1.274 1.00 22.12 H new ATOM 0 HA LEU A 31 -5.849 1.967 2.247 1.00 25.41 H new ATOM 0 HB2 LEU A 31 -3.092 1.883 0.953 1.00 60.02 H new ATOM 0 HB3 LEU A 31 -4.089 0.479 1.283 1.00 60.02 H new ATOM 0 HG LEU A 31 -5.867 1.668 -0.214 1.00 45.51 H new ATOM 0 HD11 LEU A 31 -4.905 3.089 -1.985 1.00 72.04 H new ATOM 0 HD12 LEU A 31 -4.760 3.836 -0.376 1.00 72.04 H new ATOM 0 HD13 LEU A 31 -3.341 3.076 -1.135 1.00 72.04 H new ATOM 0 HD21 LEU A 31 -4.885 0.641 -2.238 1.00 4.31 H new ATOM 0 HD22 LEU A 31 -3.324 0.496 -1.395 1.00 4.31 H new ATOM 0 HD23 LEU A 31 -4.737 -0.417 -0.815 1.00 4.31 H new ATOM 507 N VAL A 32 -4.800 1.226 4.368 1.00 31.10 N ATOM 508 CA VAL A 32 -4.257 0.848 5.677 1.00 3.35 C ATOM 509 C VAL A 32 -3.562 -0.523 5.627 1.00 70.22 C ATOM 510 O VAL A 32 -4.210 -1.552 5.414 1.00 41.25 O ATOM 511 CB VAL A 32 -5.369 0.811 6.758 1.00 35.12 C ATOM 512 CG1 VAL A 32 -4.785 0.476 8.131 1.00 44.14 C ATOM 513 CG2 VAL A 32 -6.124 2.139 6.799 1.00 44.32 C ATOM 0 H VAL A 32 -5.735 0.864 4.183 1.00 31.10 H new ATOM 0 HA VAL A 32 -3.522 1.609 5.941 1.00 3.35 H new ATOM 0 HB VAL A 32 -6.075 0.024 6.492 1.00 35.12 H new ATOM 0 HG11 VAL A 32 -5.585 0.456 8.871 1.00 44.14 H new ATOM 0 HG12 VAL A 32 -4.302 -0.500 8.092 1.00 44.14 H new ATOM 0 HG13 VAL A 32 -4.052 1.233 8.409 1.00 44.14 H new ATOM 0 HG21 VAL A 32 -6.900 2.093 7.563 1.00 44.32 H new ATOM 0 HG22 VAL A 32 -5.429 2.945 7.035 1.00 44.32 H new ATOM 0 HG23 VAL A 32 -6.582 2.327 5.828 1.00 44.32 H new ATOM 523 N VAL A 33 -2.243 -0.526 5.820 1.00 51.01 N ATOM 524 CA VAL A 33 -1.455 -1.768 5.853 1.00 1.11 C ATOM 525 C VAL A 33 -0.957 -2.056 7.278 1.00 72.53 C ATOM 526 O VAL A 33 -0.464 -1.161 7.962 1.00 31.22 O ATOM 527 CB VAL A 33 -0.239 -1.690 4.892 1.00 32.30 C ATOM 528 CG1 VAL A 33 0.588 -2.978 4.934 1.00 1.30 C ATOM 529 CG2 VAL A 33 -0.700 -1.391 3.466 1.00 14.33 C ATOM 0 H VAL A 33 -1.691 0.321 5.957 1.00 51.01 H new ATOM 0 HA VAL A 33 -2.109 -2.576 5.526 1.00 1.11 H new ATOM 0 HB VAL A 33 0.401 -0.874 5.228 1.00 32.30 H new ATOM 0 HG11 VAL A 33 1.432 -2.891 4.250 1.00 1.30 H new ATOM 0 HG12 VAL A 33 0.957 -3.141 5.947 1.00 1.30 H new ATOM 0 HG13 VAL A 33 -0.036 -3.821 4.635 1.00 1.30 H new ATOM 0 HG21 VAL A 33 0.166 -1.340 2.807 1.00 14.33 H new ATOM 0 HG22 VAL A 33 -1.368 -2.182 3.126 1.00 14.33 H new ATOM 0 HG23 VAL A 33 -1.227 -0.437 3.447 1.00 14.33 H new ATOM 539 N SER A 34 -1.089 -3.305 7.726 1.00 42.21 N ATOM 540 CA SER A 34 -0.662 -3.685 9.082 1.00 41.02 C ATOM 541 C SER A 34 0.865 -3.783 9.186 1.00 21.54 C ATOM 542 O SER A 34 1.547 -4.126 8.218 1.00 52.15 O ATOM 543 CB SER A 34 -1.276 -5.031 9.490 1.00 21.44 C ATOM 544 OG SER A 34 -0.714 -6.104 8.746 1.00 11.25 O ATOM 0 H SER A 34 -1.485 -4.069 7.178 1.00 42.21 H new ATOM 0 HA SER A 34 -1.012 -2.903 9.756 1.00 41.02 H new ATOM 0 HB2 SER A 34 -1.113 -5.199 10.554 1.00 21.44 H new ATOM 0 HB3 SER A 34 -2.354 -5.003 9.333 1.00 21.44 H new ATOM 0 HG SER A 34 -1.123 -6.948 9.029 1.00 11.25 H new ATOM 550 N ARG A 35 1.406 -3.494 10.370 1.00 5.14 N ATOM 551 CA ARG A 35 2.851 -3.611 10.601 1.00 3.33 C ATOM 552 C ARG A 35 3.303 -5.071 10.424 1.00 44.15 C ATOM 553 O ARG A 35 4.373 -5.346 9.875 1.00 62.43 O ATOM 554 CB ARG A 35 3.210 -3.106 12.006 1.00 44.25 C ATOM 555 CG ARG A 35 4.713 -3.012 12.271 1.00 64.02 C ATOM 556 CD ARG A 35 5.006 -2.508 13.682 1.00 43.04 C ATOM 557 NE ARG A 35 4.536 -3.441 14.707 1.00 44.53 N ATOM 558 CZ ARG A 35 3.948 -3.085 15.822 1.00 64.42 C ATOM 559 NH1 ARG A 35 3.688 -1.843 16.072 1.00 23.44 N ATOM 560 NH2 ARG A 35 3.608 -3.984 16.684 1.00 14.03 N ATOM 0 H ARG A 35 0.872 -3.179 11.180 1.00 5.14 H new ATOM 0 HA ARG A 35 3.372 -2.995 9.868 1.00 3.33 H new ATOM 0 HB2 ARG A 35 2.764 -2.122 12.152 1.00 44.25 H new ATOM 0 HB3 ARG A 35 2.763 -3.771 12.745 1.00 44.25 H new ATOM 0 HG2 ARG A 35 5.169 -3.992 12.132 1.00 64.02 H new ATOM 0 HG3 ARG A 35 5.170 -2.342 11.543 1.00 64.02 H new ATOM 0 HD2 ARG A 35 6.079 -2.354 13.796 1.00 43.04 H new ATOM 0 HD3 ARG A 35 4.528 -1.539 13.827 1.00 43.04 H new ATOM 0 HE ARG A 35 4.676 -4.438 14.542 1.00 44.53 H new ATOM 0 HH11 ARG A 35 3.941 -1.123 15.396 1.00 23.44 H new ATOM 0 HH12 ARG A 35 3.230 -1.584 16.945 1.00 23.44 H new ATOM 0 HH21 ARG A 35 3.797 -4.968 16.496 1.00 14.03 H new ATOM 0 HH22 ARG A 35 3.150 -3.710 17.553 1.00 14.03 H new ATOM 574 N ALA A 36 2.459 -5.998 10.880 1.00 52.52 N ATOM 575 CA ALA A 36 2.713 -7.436 10.733 1.00 53.20 C ATOM 576 C ALA A 36 2.845 -7.840 9.254 1.00 13.05 C ATOM 577 O ALA A 36 3.678 -8.681 8.905 1.00 13.52 O ATOM 578 CB ALA A 36 1.603 -8.236 11.406 1.00 73.55 C ATOM 0 H ALA A 36 1.586 -5.778 11.359 1.00 52.52 H new ATOM 0 HA ALA A 36 3.661 -7.660 11.221 1.00 53.20 H new ATOM 0 HB1 ALA A 36 1.801 -9.302 11.291 1.00 73.55 H new ATOM 0 HB2 ALA A 36 1.566 -7.986 12.466 1.00 73.55 H new ATOM 0 HB3 ALA A 36 0.647 -7.993 10.942 1.00 73.55 H new ATOM 584 N ALA A 37 2.024 -7.236 8.390 1.00 22.22 N ATOM 585 CA ALA A 37 2.098 -7.488 6.944 1.00 33.01 C ATOM 586 C ALA A 37 3.488 -7.137 6.391 1.00 71.24 C ATOM 587 O ALA A 37 4.091 -7.917 5.649 1.00 51.52 O ATOM 588 CB ALA A 37 1.020 -6.696 6.208 1.00 53.11 C ATOM 0 H ALA A 37 1.301 -6.570 8.664 1.00 22.22 H new ATOM 0 HA ALA A 37 1.926 -8.552 6.780 1.00 33.01 H new ATOM 0 HB1 ALA A 37 1.089 -6.894 5.138 1.00 53.11 H new ATOM 0 HB2 ALA A 37 0.037 -6.997 6.570 1.00 53.11 H new ATOM 0 HB3 ALA A 37 1.163 -5.631 6.389 1.00 53.11 H new ATOM 594 N LEU A 38 3.996 -5.965 6.767 1.00 63.35 N ATOM 595 CA LEU A 38 5.343 -5.542 6.368 1.00 11.42 C ATOM 596 C LEU A 38 6.412 -6.513 6.899 1.00 30.14 C ATOM 597 O LEU A 38 7.361 -6.855 6.191 1.00 4.45 O ATOM 598 CB LEU A 38 5.622 -4.116 6.863 1.00 12.32 C ATOM 599 CG LEU A 38 4.696 -3.029 6.290 1.00 55.44 C ATOM 600 CD1 LEU A 38 5.061 -1.660 6.851 1.00 34.22 C ATOM 601 CD2 LEU A 38 4.747 -3.016 4.763 1.00 52.42 C ATOM 0 H LEU A 38 3.498 -5.290 7.347 1.00 63.35 H new ATOM 0 HA LEU A 38 5.391 -5.553 5.279 1.00 11.42 H new ATOM 0 HB2 LEU A 38 5.541 -4.104 7.950 1.00 12.32 H new ATOM 0 HB3 LEU A 38 6.652 -3.859 6.618 1.00 12.32 H new ATOM 0 HG LEU A 38 3.675 -3.263 6.592 1.00 55.44 H new ATOM 0 HD11 LEU A 38 4.394 -0.906 6.433 1.00 34.22 H new ATOM 0 HD12 LEU A 38 4.960 -1.673 7.936 1.00 34.22 H new ATOM 0 HD13 LEU A 38 6.091 -1.421 6.586 1.00 34.22 H new ATOM 0 HD21 LEU A 38 4.084 -2.239 4.383 1.00 52.42 H new ATOM 0 HD22 LEU A 38 5.767 -2.815 4.435 1.00 52.42 H new ATOM 0 HD23 LEU A 38 4.427 -3.985 4.380 1.00 52.42 H new ATOM 613 N GLN A 39 6.245 -6.960 8.146 1.00 13.34 N ATOM 614 CA GLN A 39 7.135 -7.972 8.728 1.00 32.45 C ATOM 615 C GLN A 39 7.091 -9.277 7.918 1.00 42.31 C ATOM 616 O GLN A 39 8.109 -9.945 7.738 1.00 75.13 O ATOM 617 CB GLN A 39 6.761 -8.247 10.192 1.00 62.25 C ATOM 618 CG GLN A 39 6.994 -7.064 11.123 1.00 0.03 C ATOM 619 CD GLN A 39 6.622 -7.373 12.563 1.00 3.31 C ATOM 620 OE1 GLN A 39 5.492 -7.155 12.987 1.00 31.24 O ATOM 621 NE2 GLN A 39 7.566 -7.894 13.325 1.00 62.42 N ATOM 0 H GLN A 39 5.505 -6.640 8.771 1.00 13.34 H new ATOM 0 HA GLN A 39 8.151 -7.580 8.694 1.00 32.45 H new ATOM 0 HB2 GLN A 39 5.710 -8.533 10.240 1.00 62.25 H new ATOM 0 HB3 GLN A 39 7.340 -9.098 10.551 1.00 62.25 H new ATOM 0 HG2 GLN A 39 8.043 -6.771 11.077 1.00 0.03 H new ATOM 0 HG3 GLN A 39 6.410 -6.212 10.775 1.00 0.03 H new ATOM 0 HE21 GLN A 39 8.496 -8.063 12.941 1.00 62.42 H new ATOM 0 HE22 GLN A 39 7.365 -8.128 14.297 1.00 62.42 H new ATOM 630 N ALA A 40 5.904 -9.632 7.421 1.00 60.35 N ATOM 631 CA ALA A 40 5.746 -10.804 6.553 1.00 1.13 C ATOM 632 C ALA A 40 6.496 -10.607 5.227 1.00 44.31 C ATOM 633 O ALA A 40 7.122 -11.532 4.708 1.00 24.02 O ATOM 634 CB ALA A 40 4.267 -11.080 6.297 1.00 24.32 C ATOM 0 H ALA A 40 5.038 -9.126 7.604 1.00 60.35 H new ATOM 0 HA ALA A 40 6.177 -11.667 7.061 1.00 1.13 H new ATOM 0 HB1 ALA A 40 4.166 -11.952 5.651 1.00 24.32 H new ATOM 0 HB2 ALA A 40 3.763 -11.270 7.245 1.00 24.32 H new ATOM 0 HB3 ALA A 40 3.814 -10.215 5.812 1.00 24.32 H new ATOM 640 N LEU A 41 6.438 -9.386 4.697 1.00 70.32 N ATOM 641 CA LEU A 41 7.170 -9.024 3.475 1.00 2.03 C ATOM 642 C LEU A 41 8.690 -8.994 3.707 1.00 34.25 C ATOM 643 O LEU A 41 9.474 -9.091 2.760 1.00 40.22 O ATOM 644 CB LEU A 41 6.708 -7.649 2.971 1.00 32.33 C ATOM 645 CG LEU A 41 5.226 -7.552 2.581 1.00 40.02 C ATOM 646 CD1 LEU A 41 4.862 -6.119 2.199 1.00 34.41 C ATOM 647 CD2 LEU A 41 4.904 -8.516 1.441 1.00 25.04 C ATOM 0 H LEU A 41 5.889 -8.624 5.095 1.00 70.32 H new ATOM 0 HA LEU A 41 6.954 -9.788 2.728 1.00 2.03 H new ATOM 0 HB2 LEU A 41 6.911 -6.910 3.746 1.00 32.33 H new ATOM 0 HB3 LEU A 41 7.312 -7.377 2.106 1.00 32.33 H new ATOM 0 HG LEU A 41 4.626 -7.836 3.445 1.00 40.02 H new ATOM 0 HD11 LEU A 41 3.808 -6.072 1.926 1.00 34.41 H new ATOM 0 HD12 LEU A 41 5.047 -5.458 3.046 1.00 34.41 H new ATOM 0 HD13 LEU A 41 5.471 -5.802 1.352 1.00 34.41 H new ATOM 0 HD21 LEU A 41 3.849 -8.431 1.180 1.00 25.04 H new ATOM 0 HD22 LEU A 41 5.514 -8.269 0.572 1.00 25.04 H new ATOM 0 HD23 LEU A 41 5.119 -9.537 1.756 1.00 25.04 H new ATOM 659 N GLY A 42 9.098 -8.848 4.967 1.00 32.41 N ATOM 660 CA GLY A 42 10.519 -8.779 5.302 1.00 1.22 C ATOM 661 C GLY A 42 11.059 -7.351 5.336 1.00 14.24 C ATOM 662 O GLY A 42 12.201 -7.101 4.940 1.00 41.20 O ATOM 0 H GLY A 42 8.470 -8.776 5.767 1.00 32.41 H new ATOM 0 HA2 GLY A 42 10.680 -9.245 6.274 1.00 1.22 H new ATOM 0 HA3 GLY A 42 11.086 -9.358 4.573 1.00 1.22 H new ATOM 666 N VAL A 43 10.237 -6.414 5.806 1.00 22.24 N ATOM 667 CA VAL A 43 10.643 -5.009 5.930 1.00 21.40 C ATOM 668 C VAL A 43 11.278 -4.734 7.304 1.00 43.22 C ATOM 669 O VAL A 43 10.719 -5.092 8.343 1.00 34.31 O ATOM 670 CB VAL A 43 9.436 -4.057 5.721 1.00 14.45 C ATOM 671 CG1 VAL A 43 9.870 -2.593 5.816 1.00 34.23 C ATOM 672 CG2 VAL A 43 8.756 -4.339 4.381 1.00 44.22 C ATOM 0 H VAL A 43 9.281 -6.601 6.109 1.00 22.24 H new ATOM 0 HA VAL A 43 11.383 -4.819 5.153 1.00 21.40 H new ATOM 0 HB VAL A 43 8.714 -4.243 6.516 1.00 14.45 H new ATOM 0 HG11 VAL A 43 9.005 -1.947 5.666 1.00 34.23 H new ATOM 0 HG12 VAL A 43 10.298 -2.404 6.800 1.00 34.23 H new ATOM 0 HG13 VAL A 43 10.616 -2.384 5.050 1.00 34.23 H new ATOM 0 HG21 VAL A 43 7.912 -3.662 4.252 1.00 44.22 H new ATOM 0 HG22 VAL A 43 9.470 -4.187 3.572 1.00 44.22 H new ATOM 0 HG23 VAL A 43 8.401 -5.369 4.363 1.00 44.22 H new ATOM 682 N ALA A 44 12.447 -4.099 7.300 1.00 1.22 N ATOM 683 CA ALA A 44 13.180 -3.800 8.536 1.00 32.35 C ATOM 684 C ALA A 44 12.874 -2.386 9.053 1.00 62.13 C ATOM 685 O ALA A 44 12.584 -1.476 8.267 1.00 42.34 O ATOM 686 CB ALA A 44 14.677 -3.960 8.306 1.00 1.51 C ATOM 0 H ALA A 44 12.913 -3.778 6.451 1.00 1.22 H new ATOM 0 HA ALA A 44 12.851 -4.508 9.296 1.00 32.35 H new ATOM 0 HB1 ALA A 44 15.213 -3.736 9.228 1.00 1.51 H new ATOM 0 HB2 ALA A 44 14.891 -4.985 8.002 1.00 1.51 H new ATOM 0 HB3 ALA A 44 15.000 -3.274 7.523 1.00 1.51 H new ATOM 692 N GLU A 45 12.949 -2.208 10.377 1.00 24.42 N ATOM 693 CA GLU A 45 12.713 -0.902 11.014 1.00 11.31 C ATOM 694 C GLU A 45 13.505 0.219 10.315 1.00 71.32 C ATOM 695 O GLU A 45 14.735 0.164 10.220 1.00 71.04 O ATOM 696 CB GLU A 45 13.094 -0.969 12.504 1.00 25.45 C ATOM 697 CG GLU A 45 12.904 0.343 13.264 1.00 54.53 C ATOM 698 CD GLU A 45 11.462 0.827 13.262 1.00 35.53 C ATOM 699 OE1 GLU A 45 10.667 0.348 14.100 1.00 13.31 O ATOM 700 OE2 GLU A 45 11.114 1.687 12.418 1.00 22.24 O ATOM 0 H GLU A 45 13.173 -2.956 11.034 1.00 24.42 H new ATOM 0 HA GLU A 45 11.652 -0.669 10.920 1.00 11.31 H new ATOM 0 HB2 GLU A 45 12.496 -1.743 12.985 1.00 25.45 H new ATOM 0 HB3 GLU A 45 14.137 -1.275 12.586 1.00 25.45 H new ATOM 0 HG2 GLU A 45 13.236 0.211 14.294 1.00 54.53 H new ATOM 0 HG3 GLU A 45 13.539 1.109 12.820 1.00 54.53 H new ATOM 707 N GLY A 46 12.791 1.226 9.820 1.00 4.15 N ATOM 708 CA GLY A 46 13.427 2.316 9.085 1.00 22.23 C ATOM 709 C GLY A 46 13.353 2.137 7.570 1.00 71.04 C ATOM 710 O GLY A 46 13.945 2.912 6.814 1.00 71.43 O ATOM 0 H GLY A 46 11.779 1.310 9.913 1.00 4.15 H new ATOM 0 HA2 GLY A 46 12.950 3.258 9.358 1.00 22.23 H new ATOM 0 HA3 GLY A 46 14.472 2.389 9.386 1.00 22.23 H new ATOM 714 N GLY A 47 12.628 1.111 7.122 1.00 74.12 N ATOM 715 CA GLY A 47 12.481 0.851 5.687 1.00 21.41 C ATOM 716 C GLY A 47 11.067 1.117 5.175 1.00 72.33 C ATOM 717 O GLY A 47 10.870 1.446 4.004 1.00 1.43 O ATOM 0 H GLY A 47 12.137 0.451 7.725 1.00 74.12 H new ATOM 0 HA2 GLY A 47 13.185 1.475 5.136 1.00 21.41 H new ATOM 0 HA3 GLY A 47 12.747 -0.186 5.482 1.00 21.41 H new ATOM 721 N GLU A 48 10.088 0.964 6.062 1.00 45.13 N ATOM 722 CA GLU A 48 8.670 1.199 5.745 1.00 51.33 C ATOM 723 C GLU A 48 8.427 2.623 5.213 1.00 31.41 C ATOM 724 O GLU A 48 7.536 2.851 4.394 1.00 20.50 O ATOM 725 CB GLU A 48 7.814 0.964 7.004 1.00 15.21 C ATOM 726 CG GLU A 48 8.029 1.989 8.127 1.00 65.13 C ATOM 727 CD GLU A 48 9.487 2.124 8.557 1.00 22.41 C ATOM 728 OE1 GLU A 48 10.091 1.108 8.955 1.00 61.33 O ATOM 729 OE2 GLU A 48 10.044 3.244 8.473 1.00 25.15 O ATOM 0 H GLU A 48 10.249 0.673 7.026 1.00 45.13 H new ATOM 0 HA GLU A 48 8.385 0.499 4.960 1.00 51.33 H new ATOM 0 HB2 GLU A 48 6.762 0.974 6.718 1.00 15.21 H new ATOM 0 HB3 GLU A 48 8.030 -0.031 7.393 1.00 15.21 H new ATOM 0 HG2 GLU A 48 7.665 2.961 7.795 1.00 65.13 H new ATOM 0 HG3 GLU A 48 7.429 1.701 8.990 1.00 65.13 H new ATOM 736 N ARG A 49 9.236 3.569 5.687 1.00 73.32 N ATOM 737 CA ARG A 49 9.119 4.980 5.300 1.00 63.55 C ATOM 738 C ARG A 49 9.274 5.195 3.780 1.00 72.24 C ATOM 739 O ARG A 49 8.961 6.268 3.263 1.00 1.11 O ATOM 740 CB ARG A 49 10.156 5.807 6.072 1.00 54.31 C ATOM 741 CG ARG A 49 11.594 5.341 5.860 1.00 1.02 C ATOM 742 CD ARG A 49 12.545 5.957 6.880 1.00 22.45 C ATOM 743 NE ARG A 49 12.214 5.561 8.250 1.00 4.21 N ATOM 744 CZ ARG A 49 12.969 5.807 9.289 1.00 1.11 C ATOM 745 NH1 ARG A 49 14.117 6.391 9.148 1.00 53.12 N ATOM 746 NH2 ARG A 49 12.581 5.445 10.467 1.00 15.35 N ATOM 0 H ARG A 49 9.990 3.383 6.348 1.00 73.32 H new ATOM 0 HA ARG A 49 8.113 5.313 5.557 1.00 63.55 H new ATOM 0 HB2 ARG A 49 10.073 6.851 5.769 1.00 54.31 H new ATOM 0 HB3 ARG A 49 9.923 5.764 7.136 1.00 54.31 H new ATOM 0 HG2 ARG A 49 11.638 4.254 5.932 1.00 1.02 H new ATOM 0 HG3 ARG A 49 11.918 5.607 4.854 1.00 1.02 H new ATOM 0 HD2 ARG A 49 13.567 5.653 6.652 1.00 22.45 H new ATOM 0 HD3 ARG A 49 12.510 7.043 6.798 1.00 22.45 H new ATOM 0 HE ARG A 49 11.338 5.061 8.404 1.00 4.21 H new ATOM 0 HH11 ARG A 49 14.440 6.664 8.220 1.00 53.12 H new ATOM 0 HH12 ARG A 49 14.698 6.578 9.965 1.00 53.12 H new ATOM 0 HH21 ARG A 49 11.687 4.968 10.585 1.00 15.35 H new ATOM 0 HH22 ARG A 49 13.169 5.636 11.279 1.00 15.35 H new ATOM 760 N CYS A 50 9.761 4.176 3.067 1.00 43.22 N ATOM 761 CA CYS A 50 9.865 4.236 1.603 1.00 63.44 C ATOM 762 C CYS A 50 9.189 3.018 0.944 1.00 5.21 C ATOM 763 O CYS A 50 9.846 2.027 0.615 1.00 41.13 O ATOM 764 CB CYS A 50 11.334 4.336 1.167 1.00 3.22 C ATOM 765 SG CYS A 50 12.372 2.956 1.711 1.00 12.14 S ATOM 0 H CYS A 50 10.089 3.301 3.476 1.00 43.22 H new ATOM 0 HA CYS A 50 9.342 5.132 1.269 1.00 63.44 H new ATOM 0 HB2 CYS A 50 11.374 4.398 0.079 1.00 3.22 H new ATOM 0 HB3 CYS A 50 11.753 5.265 1.555 1.00 3.22 H new ATOM 0 HG CYS A 50 11.762 2.299 2.652 1.00 12.14 H new ATOM 771 N PRO A 51 7.855 3.077 0.741 1.00 21.11 N ATOM 772 CA PRO A 51 7.088 1.965 0.138 1.00 12.24 C ATOM 773 C PRO A 51 7.595 1.591 -1.264 1.00 20.05 C ATOM 774 O PRO A 51 7.569 0.422 -1.659 1.00 1.43 O ATOM 775 CB PRO A 51 5.647 2.511 0.073 1.00 23.14 C ATOM 776 CG PRO A 51 5.784 3.993 0.203 1.00 15.13 C ATOM 777 CD PRO A 51 6.984 4.217 1.081 1.00 52.21 C ATOM 0 HA PRO A 51 7.179 1.048 0.720 1.00 12.24 H new ATOM 0 HB2 PRO A 51 5.165 2.241 -0.867 1.00 23.14 H new ATOM 0 HB3 PRO A 51 5.034 2.100 0.875 1.00 23.14 H new ATOM 0 HG2 PRO A 51 5.920 4.460 -0.772 1.00 15.13 H new ATOM 0 HG3 PRO A 51 4.889 4.431 0.644 1.00 15.13 H new ATOM 0 HD2 PRO A 51 7.467 5.171 0.871 1.00 52.21 H new ATOM 0 HD3 PRO A 51 6.717 4.221 2.138 1.00 52.21 H new ATOM 785 N GLN A 52 8.070 2.594 -2.003 1.00 33.40 N ATOM 786 CA GLN A 52 8.628 2.383 -3.343 1.00 62.51 C ATOM 787 C GLN A 52 9.816 1.406 -3.312 1.00 30.10 C ATOM 788 O GLN A 52 10.077 0.696 -4.285 1.00 2.33 O ATOM 789 CB GLN A 52 9.066 3.728 -3.944 1.00 5.54 C ATOM 790 CG GLN A 52 7.940 4.756 -4.035 1.00 32.13 C ATOM 791 CD GLN A 52 8.383 6.078 -4.643 1.00 23.22 C ATOM 792 OE1 GLN A 52 9.536 6.477 -4.522 1.00 13.41 O ATOM 793 NE2 GLN A 52 7.472 6.767 -5.300 1.00 22.42 N ATOM 0 H GLN A 52 8.080 3.567 -1.696 1.00 33.40 H new ATOM 0 HA GLN A 52 7.850 1.942 -3.967 1.00 62.51 H new ATOM 0 HB2 GLN A 52 9.874 4.140 -3.339 1.00 5.54 H new ATOM 0 HB3 GLN A 52 9.470 3.556 -4.942 1.00 5.54 H new ATOM 0 HG2 GLN A 52 7.127 4.343 -4.632 1.00 32.13 H new ATOM 0 HG3 GLN A 52 7.541 4.938 -3.037 1.00 32.13 H new ATOM 0 HE21 GLN A 52 6.521 6.407 -5.382 1.00 22.42 H new ATOM 0 HE22 GLN A 52 7.718 7.661 -5.726 1.00 22.42 H new ATOM 802 N SER A 53 10.526 1.371 -2.184 1.00 15.40 N ATOM 803 CA SER A 53 11.661 0.453 -2.003 1.00 30.44 C ATOM 804 C SER A 53 11.184 -0.980 -1.736 1.00 1.33 C ATOM 805 O SER A 53 11.828 -1.947 -2.146 1.00 32.52 O ATOM 806 CB SER A 53 12.550 0.925 -0.844 1.00 11.25 C ATOM 807 OG SER A 53 13.618 0.021 -0.598 1.00 43.54 O ATOM 0 H SER A 53 10.338 1.967 -1.378 1.00 15.40 H new ATOM 0 HA SER A 53 12.238 0.456 -2.927 1.00 30.44 H new ATOM 0 HB2 SER A 53 12.954 1.911 -1.074 1.00 11.25 H new ATOM 0 HB3 SER A 53 11.947 1.029 0.058 1.00 11.25 H new ATOM 0 HG SER A 53 14.164 0.354 0.145 1.00 43.54 H new ATOM 813 N VAL A 54 10.049 -1.110 -1.051 1.00 33.23 N ATOM 814 CA VAL A 54 9.484 -2.424 -0.717 1.00 31.33 C ATOM 815 C VAL A 54 8.903 -3.119 -1.962 1.00 3.03 C ATOM 816 O VAL A 54 9.328 -4.216 -2.331 1.00 64.23 O ATOM 817 CB VAL A 54 8.376 -2.296 0.363 1.00 72.05 C ATOM 818 CG1 VAL A 54 7.815 -3.666 0.747 1.00 25.23 C ATOM 819 CG2 VAL A 54 8.904 -1.560 1.595 1.00 72.33 C ATOM 0 H VAL A 54 9.498 -0.321 -0.714 1.00 33.23 H new ATOM 0 HA VAL A 54 10.300 -3.031 -0.324 1.00 31.33 H new ATOM 0 HB VAL A 54 7.561 -1.711 -0.062 1.00 72.05 H new ATOM 0 HG11 VAL A 54 7.041 -3.543 1.505 1.00 25.23 H new ATOM 0 HG12 VAL A 54 7.387 -4.144 -0.134 1.00 25.23 H new ATOM 0 HG13 VAL A 54 8.616 -4.289 1.144 1.00 25.23 H new ATOM 0 HG21 VAL A 54 8.112 -1.481 2.339 1.00 72.33 H new ATOM 0 HG22 VAL A 54 9.744 -2.112 2.016 1.00 72.33 H new ATOM 0 HG23 VAL A 54 9.233 -0.561 1.309 1.00 72.33 H new ATOM 829 N GLY A 55 7.941 -2.465 -2.612 1.00 40.40 N ATOM 830 CA GLY A 55 7.295 -3.042 -3.791 1.00 63.10 C ATOM 831 C GLY A 55 5.795 -3.244 -3.601 1.00 32.45 C ATOM 832 O GLY A 55 5.112 -2.372 -3.066 1.00 1.50 O ATOM 0 H GLY A 55 7.594 -1.544 -2.346 1.00 40.40 H new ATOM 0 HA2 GLY A 55 7.464 -2.390 -4.648 1.00 63.10 H new ATOM 0 HA3 GLY A 55 7.760 -4.000 -4.023 1.00 63.10 H new ATOM 836 N TRP A 56 5.274 -4.389 -4.042 1.00 54.51 N ATOM 837 CA TRP A 56 3.850 -4.700 -3.869 1.00 25.23 C ATOM 838 C TRP A 56 3.534 -5.137 -2.426 1.00 61.32 C ATOM 839 O TRP A 56 4.236 -5.966 -1.841 1.00 1.22 O ATOM 840 CB TRP A 56 3.392 -5.766 -4.882 1.00 13.53 C ATOM 841 CG TRP A 56 4.377 -6.880 -5.114 1.00 54.03 C ATOM 842 CD1 TRP A 56 4.837 -7.787 -4.201 1.00 24.15 C ATOM 843 CD2 TRP A 56 5.006 -7.214 -6.358 1.00 25.33 C ATOM 844 NE1 TRP A 56 5.719 -8.651 -4.801 1.00 23.13 N ATOM 845 CE2 TRP A 56 5.837 -8.322 -6.123 1.00 61.03 C ATOM 846 CE3 TRP A 56 4.945 -6.680 -7.651 1.00 11.35 C ATOM 847 CZ2 TRP A 56 6.600 -8.908 -7.129 1.00 0.12 C ATOM 848 CZ3 TRP A 56 5.704 -7.262 -8.649 1.00 50.11 C ATOM 849 CH2 TRP A 56 6.524 -8.365 -8.382 1.00 61.52 C ATOM 0 H TRP A 56 5.810 -5.114 -4.519 1.00 54.51 H new ATOM 0 HA TRP A 56 3.290 -3.785 -4.062 1.00 25.23 H new ATOM 0 HB2 TRP A 56 2.453 -6.197 -4.535 1.00 13.53 H new ATOM 0 HB3 TRP A 56 3.186 -5.277 -5.834 1.00 13.53 H new ATOM 0 HD1 TRP A 56 4.549 -7.819 -3.161 1.00 24.15 H new ATOM 0 HE1 TRP A 56 6.208 -9.416 -4.335 1.00 23.13 H new ATOM 0 HE3 TRP A 56 4.316 -5.828 -7.865 1.00 11.35 H new ATOM 0 HZ2 TRP A 56 7.230 -9.762 -6.927 1.00 0.12 H new ATOM 0 HZ3 TRP A 56 5.664 -6.860 -9.650 1.00 50.11 H new ATOM 0 HH2 TRP A 56 7.108 -8.796 -9.182 1.00 61.52 H new ATOM 860 N MET A 57 2.474 -4.563 -1.858 1.00 23.33 N ATOM 861 CA MET A 57 2.105 -4.799 -0.458 1.00 22.20 C ATOM 862 C MET A 57 0.606 -5.115 -0.313 1.00 24.44 C ATOM 863 O MET A 57 -0.218 -4.604 -1.076 1.00 42.52 O ATOM 864 CB MET A 57 2.445 -3.560 0.390 1.00 3.43 C ATOM 865 CG MET A 57 3.902 -3.122 0.300 1.00 55.51 C ATOM 866 SD MET A 57 4.253 -1.665 1.305 1.00 33.42 S ATOM 867 CE MET A 57 3.161 -0.459 0.551 1.00 31.02 C ATOM 0 H MET A 57 1.849 -3.925 -2.350 1.00 23.33 H new ATOM 0 HA MET A 57 2.673 -5.660 -0.108 1.00 22.20 H new ATOM 0 HB2 MET A 57 1.809 -2.733 0.076 1.00 3.43 H new ATOM 0 HB3 MET A 57 2.204 -3.770 1.432 1.00 3.43 H new ATOM 0 HG2 MET A 57 4.544 -3.942 0.620 1.00 55.51 H new ATOM 0 HG3 MET A 57 4.150 -2.910 -0.740 1.00 55.51 H new ATOM 0 HE1 MET A 57 3.447 0.542 0.873 1.00 31.02 H new ATOM 0 HE2 MET A 57 3.238 -0.527 -0.534 1.00 31.02 H new ATOM 0 HE3 MET A 57 2.133 -0.658 0.855 1.00 31.02 H new ATOM 877 N PRO A 58 0.231 -5.960 0.672 1.00 15.51 N ATOM 878 CA PRO A 58 -1.181 -6.234 0.984 1.00 22.33 C ATOM 879 C PRO A 58 -1.840 -5.089 1.781 1.00 3.31 C ATOM 880 O PRO A 58 -1.334 -4.680 2.829 1.00 70.41 O ATOM 881 CB PRO A 58 -1.102 -7.508 1.835 1.00 71.30 C ATOM 882 CG PRO A 58 0.224 -7.418 2.515 1.00 54.23 C ATOM 883 CD PRO A 58 1.148 -6.727 1.541 1.00 34.53 C ATOM 0 HA PRO A 58 -1.791 -6.336 0.086 1.00 22.33 H new ATOM 0 HB2 PRO A 58 -1.917 -7.555 2.557 1.00 71.30 H new ATOM 0 HB3 PRO A 58 -1.172 -8.403 1.217 1.00 71.30 H new ATOM 0 HG2 PRO A 58 0.147 -6.856 3.446 1.00 54.23 H new ATOM 0 HG3 PRO A 58 0.599 -8.409 2.771 1.00 54.23 H new ATOM 0 HD2 PRO A 58 1.854 -6.074 2.054 1.00 34.53 H new ATOM 0 HD3 PRO A 58 1.736 -7.445 0.969 1.00 34.53 H new ATOM 891 N GLY A 59 -2.967 -4.576 1.291 1.00 45.40 N ATOM 892 CA GLY A 59 -3.629 -3.461 1.966 1.00 2.23 C ATOM 893 C GLY A 59 -5.132 -3.385 1.717 1.00 43.30 C ATOM 894 O GLY A 59 -5.719 -4.258 1.075 1.00 3.04 O ATOM 0 H GLY A 59 -3.434 -4.906 0.446 1.00 45.40 H new ATOM 0 HA2 GLY A 59 -3.453 -3.544 3.039 1.00 2.23 H new ATOM 0 HA3 GLY A 59 -3.170 -2.528 1.639 1.00 2.23 H new ATOM 898 N LEU A 60 -5.751 -2.327 2.235 1.00 21.22 N ATOM 899 CA LEU A 60 -7.202 -2.134 2.124 1.00 64.14 C ATOM 900 C LEU A 60 -7.536 -0.795 1.445 1.00 14.30 C ATOM 901 O LEU A 60 -7.204 0.267 1.968 1.00 53.21 O ATOM 902 CB LEU A 60 -7.837 -2.187 3.526 1.00 2.54 C ATOM 903 CG LEU A 60 -9.362 -1.968 3.583 1.00 30.32 C ATOM 904 CD1 LEU A 60 -10.098 -3.016 2.753 1.00 34.44 C ATOM 905 CD2 LEU A 60 -9.857 -1.984 5.028 1.00 41.53 C ATOM 0 H LEU A 60 -5.270 -1.583 2.740 1.00 21.22 H new ATOM 0 HA LEU A 60 -7.609 -2.934 1.506 1.00 64.14 H new ATOM 0 HB2 LEU A 60 -7.612 -3.157 3.969 1.00 2.54 H new ATOM 0 HB3 LEU A 60 -7.357 -1.433 4.150 1.00 2.54 H new ATOM 0 HG LEU A 60 -9.576 -0.988 3.157 1.00 30.32 H new ATOM 0 HD11 LEU A 60 -11.172 -2.838 2.811 1.00 34.44 H new ATOM 0 HD12 LEU A 60 -9.775 -2.950 1.714 1.00 34.44 H new ATOM 0 HD13 LEU A 60 -9.874 -4.010 3.140 1.00 34.44 H new ATOM 0 HD21 LEU A 60 -10.936 -1.828 5.045 1.00 41.53 H new ATOM 0 HD22 LEU A 60 -9.623 -2.947 5.482 1.00 41.53 H new ATOM 0 HD23 LEU A 60 -9.366 -1.189 5.590 1.00 41.53 H new ATOM 917 N ASN A 61 -8.188 -0.858 0.282 1.00 41.52 N ATOM 918 CA ASN A 61 -8.622 0.349 -0.435 1.00 14.14 C ATOM 919 C ASN A 61 -9.918 0.903 0.179 1.00 20.32 C ATOM 920 O ASN A 61 -10.890 0.172 0.351 1.00 54.45 O ATOM 921 CB ASN A 61 -8.828 0.036 -1.922 1.00 62.33 C ATOM 922 CG ASN A 61 -9.336 1.232 -2.704 1.00 35.52 C ATOM 923 OD1 ASN A 61 -10.538 1.412 -2.886 1.00 23.53 O ATOM 924 ND2 ASN A 61 -8.433 2.069 -3.158 1.00 30.11 N ATOM 0 H ASN A 61 -8.429 -1.732 -0.186 1.00 41.52 H new ATOM 0 HA ASN A 61 -7.845 1.107 -0.341 1.00 14.14 H new ATOM 0 HB2 ASN A 61 -7.885 -0.301 -2.353 1.00 62.33 H new ATOM 0 HB3 ASN A 61 -9.536 -0.786 -2.022 1.00 62.33 H new ATOM 0 HD21 ASN A 61 -8.721 2.897 -3.679 1.00 30.11 H new ATOM 0 HD22 ASN A 61 -7.443 1.891 -2.990 1.00 30.11 H new ATOM 931 N GLU A 62 -9.941 2.193 0.485 1.00 54.01 N ATOM 932 CA GLU A 62 -11.050 2.785 1.250 1.00 41.43 C ATOM 933 C GLU A 62 -12.180 3.363 0.378 1.00 64.32 C ATOM 934 O GLU A 62 -13.215 3.785 0.901 1.00 43.33 O ATOM 935 CB GLU A 62 -10.500 3.850 2.197 1.00 22.31 C ATOM 936 CG GLU A 62 -9.744 3.266 3.386 1.00 32.13 C ATOM 937 CD GLU A 62 -10.664 2.560 4.375 1.00 11.03 C ATOM 938 OE1 GLU A 62 -11.177 3.238 5.292 1.00 42.51 O ATOM 939 OE2 GLU A 62 -10.875 1.331 4.249 1.00 3.53 O ATOM 0 H GLU A 62 -9.211 2.854 0.220 1.00 54.01 H new ATOM 0 HA GLU A 62 -11.510 1.974 1.814 1.00 41.43 H new ATOM 0 HB2 GLU A 62 -9.835 4.512 1.642 1.00 22.31 H new ATOM 0 HB3 GLU A 62 -11.325 4.461 2.564 1.00 22.31 H new ATOM 0 HG2 GLU A 62 -8.995 2.561 3.025 1.00 32.13 H new ATOM 0 HG3 GLU A 62 -9.209 4.065 3.900 1.00 32.13 H new ATOM 946 N ARG A 63 -11.998 3.398 -0.935 1.00 43.44 N ATOM 947 CA ARG A 63 -13.077 3.811 -1.845 1.00 33.10 C ATOM 948 C ARG A 63 -13.886 2.601 -2.340 1.00 12.43 C ATOM 949 O ARG A 63 -15.047 2.733 -2.734 1.00 13.24 O ATOM 950 CB ARG A 63 -12.511 4.616 -3.026 1.00 12.34 C ATOM 951 CG ARG A 63 -11.945 5.970 -2.603 1.00 45.32 C ATOM 952 CD ARG A 63 -11.375 6.762 -3.772 1.00 2.51 C ATOM 953 NE ARG A 63 -10.837 8.047 -3.332 1.00 71.41 N ATOM 954 CZ ARG A 63 -10.467 9.011 -4.131 1.00 71.14 C ATOM 955 NH1 ARG A 63 -10.601 8.901 -5.411 1.00 64.24 N ATOM 956 NH2 ARG A 63 -9.996 10.105 -3.633 1.00 53.33 N ATOM 0 H ARG A 63 -11.124 3.149 -1.398 1.00 43.44 H new ATOM 0 HA ARG A 63 -13.758 4.454 -1.288 1.00 33.10 H new ATOM 0 HB2 ARG A 63 -11.727 4.036 -3.513 1.00 12.34 H new ATOM 0 HB3 ARG A 63 -13.298 4.771 -3.764 1.00 12.34 H new ATOM 0 HG2 ARG A 63 -12.731 6.553 -2.123 1.00 45.32 H new ATOM 0 HG3 ARG A 63 -11.163 5.816 -1.859 1.00 45.32 H new ATOM 0 HD2 ARG A 63 -10.589 6.183 -4.257 1.00 2.51 H new ATOM 0 HD3 ARG A 63 -12.154 6.927 -4.516 1.00 2.51 H new ATOM 0 HE ARG A 63 -10.744 8.202 -2.328 1.00 71.41 H new ATOM 0 HH11 ARG A 63 -11.001 8.052 -5.811 1.00 64.24 H new ATOM 0 HH12 ARG A 63 -10.307 9.663 -6.022 1.00 64.24 H new ATOM 0 HH21 ARG A 63 -9.915 10.212 -2.622 1.00 53.33 H new ATOM 0 HH22 ARG A 63 -9.705 10.863 -4.251 1.00 53.33 H new ATOM 970 N THR A 64 -13.266 1.424 -2.315 1.00 34.15 N ATOM 971 CA THR A 64 -13.947 0.166 -2.671 1.00 43.21 C ATOM 972 C THR A 64 -14.126 -0.736 -1.442 1.00 41.23 C ATOM 973 O THR A 64 -14.924 -1.676 -1.454 1.00 13.32 O ATOM 974 CB THR A 64 -13.156 -0.621 -3.743 1.00 13.50 C ATOM 975 OG1 THR A 64 -11.870 -0.998 -3.222 1.00 43.45 O ATOM 976 CG2 THR A 64 -12.971 0.206 -5.016 1.00 34.02 C ATOM 0 H THR A 64 -12.288 1.307 -2.051 1.00 34.15 H new ATOM 0 HA THR A 64 -14.923 0.443 -3.069 1.00 43.21 H new ATOM 0 HB THR A 64 -13.728 -1.514 -3.996 1.00 13.50 H new ATOM 0 HG1 THR A 64 -11.334 -0.194 -3.059 1.00 43.45 H new ATOM 0 HG21 THR A 64 -12.412 -0.375 -5.749 1.00 34.02 H new ATOM 0 HG22 THR A 64 -13.947 0.465 -5.426 1.00 34.02 H new ATOM 0 HG23 THR A 64 -12.422 1.118 -4.781 1.00 34.02 H new ATOM 984 N ARG A 65 -13.366 -0.437 -0.385 1.00 61.33 N ATOM 985 CA ARG A 65 -13.358 -1.222 0.860 1.00 73.31 C ATOM 986 C ARG A 65 -12.870 -2.662 0.618 1.00 65.43 C ATOM 987 O ARG A 65 -13.139 -3.561 1.416 1.00 64.22 O ATOM 988 CB ARG A 65 -14.744 -1.240 1.538 1.00 52.41 C ATOM 989 CG ARG A 65 -15.427 0.126 1.659 1.00 22.01 C ATOM 990 CD ARG A 65 -14.472 1.255 2.054 1.00 71.41 C ATOM 991 NE ARG A 65 -13.700 0.987 3.273 1.00 41.30 N ATOM 992 CZ ARG A 65 -14.141 1.179 4.489 1.00 12.45 C ATOM 993 NH1 ARG A 65 -15.373 1.516 4.706 1.00 72.24 N ATOM 994 NH2 ARG A 65 -13.332 1.041 5.486 1.00 43.30 N ATOM 0 H ARG A 65 -12.733 0.362 -0.366 1.00 61.33 H new ATOM 0 HA ARG A 65 -12.657 -0.728 1.533 1.00 73.31 H new ATOM 0 HB2 ARG A 65 -15.398 -1.907 0.976 1.00 52.41 H new ATOM 0 HB3 ARG A 65 -14.637 -1.665 2.536 1.00 52.41 H new ATOM 0 HG2 ARG A 65 -15.896 0.374 0.707 1.00 22.01 H new ATOM 0 HG3 ARG A 65 -16.224 0.060 2.399 1.00 22.01 H new ATOM 0 HD2 ARG A 65 -13.780 1.436 1.231 1.00 71.41 H new ATOM 0 HD3 ARG A 65 -15.047 2.170 2.195 1.00 71.41 H new ATOM 0 HE ARG A 65 -12.752 0.625 3.164 1.00 41.30 H new ATOM 0 HH11 ARG A 65 -16.015 1.635 3.922 1.00 72.24 H new ATOM 0 HH12 ARG A 65 -15.701 1.662 5.661 1.00 72.24 H new ATOM 0 HH21 ARG A 65 -12.359 0.784 5.321 1.00 43.30 H new ATOM 0 HH22 ARG A 65 -13.666 1.189 6.438 1.00 43.30 H new ATOM 1008 N GLN A 66 -12.120 -2.867 -0.467 1.00 50.43 N ATOM 1009 CA GLN A 66 -11.644 -4.206 -0.848 1.00 71.10 C ATOM 1010 C GLN A 66 -10.173 -4.432 -0.457 1.00 13.35 C ATOM 1011 O GLN A 66 -9.370 -3.494 -0.427 1.00 40.42 O ATOM 1012 CB GLN A 66 -11.802 -4.411 -2.361 1.00 65.24 C ATOM 1013 CG GLN A 66 -13.228 -4.207 -2.867 1.00 61.44 C ATOM 1014 CD GLN A 66 -14.227 -5.171 -2.246 1.00 1.01 C ATOM 1015 OE1 GLN A 66 -13.899 -6.307 -1.918 1.00 44.14 O ATOM 1016 NE2 GLN A 66 -15.451 -4.722 -2.065 1.00 5.30 N ATOM 0 H GLN A 66 -11.827 -2.124 -1.101 1.00 50.43 H new ATOM 0 HA GLN A 66 -12.252 -4.929 -0.305 1.00 71.10 H new ATOM 0 HB2 GLN A 66 -11.139 -3.720 -2.883 1.00 65.24 H new ATOM 0 HB3 GLN A 66 -11.477 -5.419 -2.617 1.00 65.24 H new ATOM 0 HG2 GLN A 66 -13.539 -3.184 -2.655 1.00 61.44 H new ATOM 0 HG3 GLN A 66 -13.243 -4.326 -3.950 1.00 61.44 H new ATOM 0 HE21 GLN A 66 -15.693 -3.772 -2.348 1.00 5.30 H new ATOM 0 HE22 GLN A 66 -16.157 -5.324 -1.641 1.00 5.30 H new ATOM 1025 N ARG A 67 -9.834 -5.685 -0.158 1.00 20.11 N ATOM 1026 CA ARG A 67 -8.452 -6.076 0.147 1.00 14.33 C ATOM 1027 C ARG A 67 -7.721 -6.554 -1.116 1.00 53.02 C ATOM 1028 O ARG A 67 -8.352 -6.992 -2.078 1.00 55.20 O ATOM 1029 CB ARG A 67 -8.440 -7.198 1.197 1.00 62.00 C ATOM 1030 CG ARG A 67 -8.853 -6.748 2.594 1.00 71.02 C ATOM 1031 CD ARG A 67 -7.802 -5.848 3.236 1.00 13.53 C ATOM 1032 NE ARG A 67 -6.518 -6.529 3.397 1.00 31.54 N ATOM 1033 CZ ARG A 67 -5.678 -6.306 4.371 1.00 3.20 C ATOM 1034 NH1 ARG A 67 -5.934 -5.410 5.273 1.00 43.33 N ATOM 1035 NH2 ARG A 67 -4.580 -6.984 4.446 1.00 74.21 N ATOM 0 H ARG A 67 -10.502 -6.455 -0.119 1.00 20.11 H new ATOM 0 HA ARG A 67 -7.935 -5.200 0.539 1.00 14.33 H new ATOM 0 HB2 ARG A 67 -9.110 -7.994 0.870 1.00 62.00 H new ATOM 0 HB3 ARG A 67 -7.438 -7.625 1.246 1.00 62.00 H new ATOM 0 HG2 ARG A 67 -9.802 -6.215 2.538 1.00 71.02 H new ATOM 0 HG3 ARG A 67 -9.016 -7.623 3.224 1.00 71.02 H new ATOM 0 HD2 ARG A 67 -7.665 -4.957 2.623 1.00 13.53 H new ATOM 0 HD3 ARG A 67 -8.159 -5.513 4.210 1.00 13.53 H new ATOM 0 HE ARG A 67 -6.261 -7.227 2.699 1.00 31.54 H new ATOM 0 HH11 ARG A 67 -6.799 -4.871 5.226 1.00 43.33 H new ATOM 0 HH12 ARG A 67 -5.271 -5.244 6.030 1.00 43.33 H new ATOM 0 HH21 ARG A 67 -4.370 -7.693 3.744 1.00 74.21 H new ATOM 0 HH22 ARG A 67 -3.924 -6.809 5.207 1.00 74.21 H new ATOM 1049 N GLY A 68 -6.394 -6.475 -1.105 1.00 53.54 N ATOM 1050 CA GLY A 68 -5.614 -6.939 -2.245 1.00 13.41 C ATOM 1051 C GLY A 68 -4.134 -6.589 -2.150 1.00 60.33 C ATOM 1052 O GLY A 68 -3.666 -6.099 -1.120 1.00 70.15 O ATOM 0 H GLY A 68 -5.844 -6.100 -0.332 1.00 53.54 H new ATOM 0 HA2 GLY A 68 -5.719 -8.021 -2.331 1.00 13.41 H new ATOM 0 HA3 GLY A 68 -6.024 -6.505 -3.157 1.00 13.41 H new ATOM 1056 N ASP A 69 -3.403 -6.846 -3.229 1.00 73.41 N ATOM 1057 CA ASP A 69 -1.967 -6.549 -3.301 1.00 73.11 C ATOM 1058 C ASP A 69 -1.707 -5.416 -4.311 1.00 43.54 C ATOM 1059 O ASP A 69 -2.119 -5.505 -5.470 1.00 63.13 O ATOM 1060 CB ASP A 69 -1.200 -7.819 -3.701 1.00 11.42 C ATOM 1061 CG ASP A 69 0.058 -8.014 -2.876 1.00 72.44 C ATOM 1062 OD1 ASP A 69 -0.030 -8.640 -1.798 1.00 20.30 O ATOM 1063 OD2 ASP A 69 1.138 -7.560 -3.298 1.00 55.10 O ATOM 0 H ASP A 69 -3.782 -7.265 -4.078 1.00 73.41 H new ATOM 0 HA ASP A 69 -1.617 -6.218 -2.323 1.00 73.11 H new ATOM 0 HB2 ASP A 69 -1.849 -8.686 -3.581 1.00 11.42 H new ATOM 0 HB3 ASP A 69 -0.935 -7.764 -4.757 1.00 11.42 H new ATOM 1068 N PHE A 70 -1.028 -4.356 -3.877 1.00 52.41 N ATOM 1069 CA PHE A 70 -0.814 -3.180 -4.734 1.00 53.41 C ATOM 1070 C PHE A 70 0.655 -2.722 -4.725 1.00 43.53 C ATOM 1071 O PHE A 70 1.322 -2.775 -3.692 1.00 22.52 O ATOM 1072 CB PHE A 70 -1.719 -2.019 -4.285 1.00 4.24 C ATOM 1073 CG PHE A 70 -1.401 -1.489 -2.904 1.00 43.45 C ATOM 1074 CD1 PHE A 70 -1.872 -2.135 -1.770 1.00 61.21 C ATOM 1075 CD2 PHE A 70 -0.630 -0.343 -2.742 1.00 31.42 C ATOM 1076 CE1 PHE A 70 -1.580 -1.654 -0.509 1.00 12.12 C ATOM 1077 CE2 PHE A 70 -0.337 0.141 -1.481 1.00 63.24 C ATOM 1078 CZ PHE A 70 -0.813 -0.516 -0.364 1.00 14.33 C ATOM 0 H PHE A 70 -0.618 -4.282 -2.946 1.00 52.41 H new ATOM 0 HA PHE A 70 -1.070 -3.472 -5.752 1.00 53.41 H new ATOM 0 HB2 PHE A 70 -1.632 -1.205 -5.004 1.00 4.24 H new ATOM 0 HB3 PHE A 70 -2.757 -2.352 -4.305 1.00 4.24 H new ATOM 0 HD1 PHE A 70 -2.475 -3.025 -1.875 1.00 61.21 H new ATOM 0 HD2 PHE A 70 -0.256 0.175 -3.612 1.00 31.42 H new ATOM 0 HE1 PHE A 70 -1.952 -2.169 0.364 1.00 12.12 H new ATOM 0 HE2 PHE A 70 0.263 1.032 -1.370 1.00 63.24 H new ATOM 0 HZ PHE A 70 -0.585 -0.140 0.622 1.00 14.33 H new ATOM 1088 N PRO A 71 1.180 -2.263 -5.879 1.00 11.20 N ATOM 1089 CA PRO A 71 2.548 -1.728 -5.965 1.00 44.03 C ATOM 1090 C PRO A 71 2.698 -0.380 -5.231 1.00 72.34 C ATOM 1091 O PRO A 71 2.126 0.636 -5.641 1.00 1.05 O ATOM 1092 CB PRO A 71 2.770 -1.560 -7.478 1.00 61.11 C ATOM 1093 CG PRO A 71 1.398 -1.395 -8.043 1.00 41.33 C ATOM 1094 CD PRO A 71 0.493 -2.246 -7.189 1.00 23.23 C ATOM 0 HA PRO A 71 3.277 -2.384 -5.489 1.00 44.03 H new ATOM 0 HB2 PRO A 71 3.394 -0.693 -7.693 1.00 61.11 H new ATOM 0 HB3 PRO A 71 3.273 -2.428 -7.904 1.00 61.11 H new ATOM 0 HG2 PRO A 71 1.089 -0.350 -8.018 1.00 41.33 H new ATOM 0 HG3 PRO A 71 1.364 -1.713 -9.085 1.00 41.33 H new ATOM 0 HD2 PRO A 71 -0.507 -1.819 -7.113 1.00 23.23 H new ATOM 0 HD3 PRO A 71 0.381 -3.250 -7.598 1.00 23.23 H new ATOM 1102 N GLY A 72 3.488 -0.373 -4.155 1.00 1.24 N ATOM 1103 CA GLY A 72 3.659 0.829 -3.341 1.00 12.14 C ATOM 1104 C GLY A 72 4.538 1.906 -3.980 1.00 74.24 C ATOM 1105 O GLY A 72 5.238 2.637 -3.281 1.00 1.14 O ATOM 0 H GLY A 72 4.016 -1.183 -3.830 1.00 1.24 H new ATOM 0 HA2 GLY A 72 2.677 1.255 -3.133 1.00 12.14 H new ATOM 0 HA3 GLY A 72 4.093 0.545 -2.382 1.00 12.14 H new ATOM 1109 N THR A 73 4.496 2.014 -5.304 1.00 20.13 N ATOM 1110 CA THR A 73 5.248 3.049 -6.024 1.00 63.34 C ATOM 1111 C THR A 73 4.387 4.303 -6.240 1.00 25.01 C ATOM 1112 O THR A 73 4.899 5.422 -6.304 1.00 63.31 O ATOM 1113 CB THR A 73 5.748 2.535 -7.400 1.00 45.13 C ATOM 1114 OG1 THR A 73 6.507 1.327 -7.232 1.00 15.42 O ATOM 1115 CG2 THR A 73 6.612 3.580 -8.105 1.00 64.42 C ATOM 0 H THR A 73 3.949 1.398 -5.906 1.00 20.13 H new ATOM 0 HA THR A 73 6.110 3.302 -5.407 1.00 63.34 H new ATOM 0 HB THR A 73 4.871 2.337 -8.017 1.00 45.13 H new ATOM 0 HG1 THR A 73 6.816 1.011 -8.106 1.00 15.42 H new ATOM 0 HG21 THR A 73 6.946 3.188 -9.066 1.00 64.42 H new ATOM 0 HG22 THR A 73 6.028 4.486 -8.266 1.00 64.42 H new ATOM 0 HG23 THR A 73 7.479 3.812 -7.487 1.00 64.42 H new ATOM 1123 N TYR A 74 3.071 4.105 -6.333 1.00 52.42 N ATOM 1124 CA TYR A 74 2.126 5.204 -6.595 1.00 43.31 C ATOM 1125 C TYR A 74 1.503 5.749 -5.300 1.00 51.02 C ATOM 1126 O TYR A 74 0.620 6.606 -5.343 1.00 0.43 O ATOM 1127 CB TYR A 74 1.017 4.721 -7.540 1.00 4.13 C ATOM 1128 CG TYR A 74 1.545 4.135 -8.839 1.00 43.22 C ATOM 1129 CD1 TYR A 74 1.884 4.957 -9.909 1.00 70.14 C ATOM 1130 CD2 TYR A 74 1.716 2.760 -8.989 1.00 71.12 C ATOM 1131 CE1 TYR A 74 2.372 4.429 -11.088 1.00 54.33 C ATOM 1132 CE2 TYR A 74 2.206 2.226 -10.164 1.00 2.31 C ATOM 1133 CZ TYR A 74 2.531 3.064 -11.210 1.00 14.11 C ATOM 1134 OH TYR A 74 3.022 2.537 -12.381 1.00 54.40 O ATOM 0 H TYR A 74 2.629 3.191 -6.231 1.00 52.42 H new ATOM 0 HA TYR A 74 2.685 6.016 -7.060 1.00 43.31 H new ATOM 0 HB2 TYR A 74 0.416 3.969 -7.029 1.00 4.13 H new ATOM 0 HB3 TYR A 74 0.355 5.556 -7.769 1.00 4.13 H new ATOM 0 HD1 TYR A 74 1.763 6.026 -9.816 1.00 70.14 H new ATOM 0 HD2 TYR A 74 1.461 2.101 -8.172 1.00 71.12 H new ATOM 0 HE1 TYR A 74 2.628 5.081 -11.910 1.00 54.33 H new ATOM 0 HE2 TYR A 74 2.334 1.158 -10.263 1.00 2.31 H new ATOM 0 HH TYR A 74 3.074 1.561 -12.304 1.00 54.40 H new ATOM 1144 N VAL A 75 1.967 5.251 -4.155 1.00 63.53 N ATOM 1145 CA VAL A 75 1.439 5.677 -2.853 1.00 61.24 C ATOM 1146 C VAL A 75 2.525 6.351 -1.998 1.00 75.21 C ATOM 1147 O VAL A 75 3.697 5.974 -2.055 1.00 21.33 O ATOM 1148 CB VAL A 75 0.846 4.480 -2.060 1.00 35.20 C ATOM 1149 CG1 VAL A 75 -0.230 3.764 -2.876 1.00 74.43 C ATOM 1150 CG2 VAL A 75 1.942 3.502 -1.629 1.00 63.43 C ATOM 0 H VAL A 75 2.708 4.552 -4.099 1.00 63.53 H new ATOM 0 HA VAL A 75 0.648 6.397 -3.061 1.00 61.24 H new ATOM 0 HB VAL A 75 0.381 4.878 -1.158 1.00 35.20 H new ATOM 0 HG11 VAL A 75 -0.629 2.930 -2.299 1.00 74.43 H new ATOM 0 HG12 VAL A 75 -1.034 4.462 -3.110 1.00 74.43 H new ATOM 0 HG13 VAL A 75 0.205 3.389 -3.802 1.00 74.43 H new ATOM 0 HG21 VAL A 75 1.495 2.675 -1.076 1.00 63.43 H new ATOM 0 HG22 VAL A 75 2.452 3.115 -2.511 1.00 63.43 H new ATOM 0 HG23 VAL A 75 2.660 4.018 -0.992 1.00 63.43 H new ATOM 1160 N GLU A 76 2.134 7.350 -1.209 1.00 41.32 N ATOM 1161 CA GLU A 76 3.068 8.013 -0.292 1.00 54.52 C ATOM 1162 C GLU A 76 2.904 7.480 1.141 1.00 13.13 C ATOM 1163 O GLU A 76 1.819 7.040 1.536 1.00 25.03 O ATOM 1164 CB GLU A 76 2.860 9.536 -0.300 1.00 3.41 C ATOM 1165 CG GLU A 76 1.558 9.988 0.356 1.00 41.41 C ATOM 1166 CD GLU A 76 1.450 11.501 0.469 1.00 60.54 C ATOM 1167 OE1 GLU A 76 2.367 12.126 1.038 1.00 1.33 O ATOM 1168 OE2 GLU A 76 0.445 12.073 0.004 1.00 71.15 O ATOM 0 H GLU A 76 1.183 7.719 -1.184 1.00 41.32 H new ATOM 0 HA GLU A 76 4.077 7.792 -0.639 1.00 54.52 H new ATOM 0 HB2 GLU A 76 3.697 10.009 0.213 1.00 3.41 H new ATOM 0 HB3 GLU A 76 2.877 9.889 -1.331 1.00 3.41 H new ATOM 0 HG2 GLU A 76 0.715 9.610 -0.222 1.00 41.41 H new ATOM 0 HG3 GLU A 76 1.485 9.548 1.350 1.00 41.41 H new ATOM 1175 N PHE A 77 3.981 7.534 1.921 1.00 33.23 N ATOM 1176 CA PHE A 77 3.957 7.081 3.314 1.00 11.22 C ATOM 1177 C PHE A 77 3.452 8.193 4.249 1.00 63.51 C ATOM 1178 O PHE A 77 4.153 9.175 4.504 1.00 32.54 O ATOM 1179 CB PHE A 77 5.362 6.625 3.731 1.00 24.51 C ATOM 1180 CG PHE A 77 5.473 6.158 5.164 1.00 51.15 C ATOM 1181 CD1 PHE A 77 4.826 5.006 5.588 1.00 74.30 C ATOM 1182 CD2 PHE A 77 6.238 6.864 6.082 1.00 51.21 C ATOM 1183 CE1 PHE A 77 4.942 4.573 6.893 1.00 14.41 C ATOM 1184 CE2 PHE A 77 6.359 6.428 7.387 1.00 34.45 C ATOM 1185 CZ PHE A 77 5.709 5.283 7.792 1.00 70.24 C ATOM 0 H PHE A 77 4.886 7.888 1.612 1.00 33.23 H new ATOM 0 HA PHE A 77 3.267 6.241 3.395 1.00 11.22 H new ATOM 0 HB2 PHE A 77 5.677 5.815 3.073 1.00 24.51 H new ATOM 0 HB3 PHE A 77 6.058 7.450 3.577 1.00 24.51 H new ATOM 0 HD1 PHE A 77 4.225 4.442 4.889 1.00 74.30 H new ATOM 0 HD2 PHE A 77 6.745 7.766 5.772 1.00 51.21 H new ATOM 0 HE1 PHE A 77 4.431 3.676 7.211 1.00 14.41 H new ATOM 0 HE2 PHE A 77 6.963 6.984 8.089 1.00 34.45 H new ATOM 0 HZ PHE A 77 5.800 4.942 8.813 1.00 70.24 H new ATOM 1195 N LEU A 78 2.229 8.037 4.752 1.00 41.31 N ATOM 1196 CA LEU A 78 1.639 9.029 5.659 1.00 55.33 C ATOM 1197 C LEU A 78 2.219 8.904 7.071 1.00 34.05 C ATOM 1198 O LEU A 78 2.450 9.907 7.751 1.00 3.31 O ATOM 1199 CB LEU A 78 0.113 8.877 5.702 1.00 31.52 C ATOM 1200 CG LEU A 78 -0.593 9.029 4.345 1.00 41.23 C ATOM 1201 CD1 LEU A 78 -2.109 8.964 4.506 1.00 40.45 C ATOM 1202 CD2 LEU A 78 -0.170 10.330 3.668 1.00 52.23 C ATOM 0 H LEU A 78 1.627 7.239 4.550 1.00 41.31 H new ATOM 0 HA LEU A 78 1.886 10.019 5.275 1.00 55.33 H new ATOM 0 HB2 LEU A 78 -0.128 7.896 6.112 1.00 31.52 H new ATOM 0 HB3 LEU A 78 -0.292 9.619 6.390 1.00 31.52 H new ATOM 0 HG LEU A 78 -0.292 8.197 3.708 1.00 41.23 H new ATOM 0 HD11 LEU A 78 -2.584 9.074 3.531 1.00 40.45 H new ATOM 0 HD12 LEU A 78 -2.388 8.003 4.939 1.00 40.45 H new ATOM 0 HD13 LEU A 78 -2.440 9.768 5.163 1.00 40.45 H new ATOM 0 HD21 LEU A 78 -0.679 10.423 2.708 1.00 52.23 H new ATOM 0 HD22 LEU A 78 -0.437 11.174 4.303 1.00 52.23 H new ATOM 0 HD23 LEU A 78 0.908 10.323 3.508 1.00 52.23 H new ATOM 1214 N GLY A 79 2.453 7.668 7.504 1.00 30.33 N ATOM 1215 CA GLY A 79 3.032 7.423 8.822 1.00 45.41 C ATOM 1216 C GLY A 79 2.275 6.367 9.621 1.00 2.11 C ATOM 1217 O GLY A 79 1.328 5.756 9.115 1.00 44.51 O ATOM 0 H GLY A 79 2.252 6.825 6.966 1.00 30.33 H new ATOM 0 HA2 GLY A 79 4.068 7.107 8.704 1.00 45.41 H new ATOM 0 HA3 GLY A 79 3.046 8.356 9.385 1.00 45.41 H new ATOM 1221 N PRO A 80 2.685 6.118 10.879 1.00 1.52 N ATOM 1222 CA PRO A 80 1.991 5.178 11.773 1.00 2.24 C ATOM 1223 C PRO A 80 0.615 5.704 12.217 1.00 14.12 C ATOM 1224 O PRO A 80 0.406 6.917 12.318 1.00 14.32 O ATOM 1225 CB PRO A 80 2.937 5.053 12.987 1.00 23.43 C ATOM 1226 CG PRO A 80 4.223 5.692 12.563 1.00 55.41 C ATOM 1227 CD PRO A 80 3.857 6.721 11.530 1.00 61.33 C ATOM 0 HA PRO A 80 1.790 4.227 11.279 1.00 2.24 H new ATOM 0 HB2 PRO A 80 2.521 5.553 13.861 1.00 23.43 H new ATOM 0 HB3 PRO A 80 3.089 4.009 13.259 1.00 23.43 H new ATOM 0 HG2 PRO A 80 4.727 6.154 13.412 1.00 55.41 H new ATOM 0 HG3 PRO A 80 4.908 4.952 12.150 1.00 55.41 H new ATOM 0 HD2 PRO A 80 3.619 7.683 11.983 1.00 61.33 H new ATOM 0 HD3 PRO A 80 4.669 6.893 10.824 1.00 61.33 H new ATOM 1235 N LEU A 81 -0.319 4.792 12.475 1.00 13.23 N ATOM 1236 CA LEU A 81 -1.655 5.174 12.949 1.00 44.20 C ATOM 1237 C LEU A 81 -1.619 5.607 14.422 1.00 13.52 C ATOM 1238 O LEU A 81 -0.775 5.152 15.201 1.00 55.31 O ATOM 1239 CB LEU A 81 -2.660 4.021 12.762 1.00 71.42 C ATOM 1240 CG LEU A 81 -3.085 3.733 11.309 1.00 61.10 C ATOM 1241 CD1 LEU A 81 -1.907 3.266 10.464 1.00 40.05 C ATOM 1242 CD2 LEU A 81 -4.207 2.701 11.267 1.00 11.32 C ATOM 0 H LEU A 81 -0.181 3.787 12.366 1.00 13.23 H new ATOM 0 HA LEU A 81 -1.983 6.022 12.348 1.00 44.20 H new ATOM 0 HB2 LEU A 81 -2.225 3.113 13.180 1.00 71.42 H new ATOM 0 HB3 LEU A 81 -3.554 4.244 13.345 1.00 71.42 H new ATOM 0 HG LEU A 81 -3.453 4.668 10.886 1.00 61.10 H new ATOM 0 HD11 LEU A 81 -2.244 3.072 9.446 1.00 40.05 H new ATOM 0 HD12 LEU A 81 -1.139 4.039 10.451 1.00 40.05 H new ATOM 0 HD13 LEU A 81 -1.494 2.352 10.890 1.00 40.05 H new ATOM 0 HD21 LEU A 81 -4.490 2.514 10.231 1.00 11.32 H new ATOM 0 HD22 LEU A 81 -3.864 1.772 11.723 1.00 11.32 H new ATOM 0 HD23 LEU A 81 -5.069 3.078 11.817 1.00 11.32 H new ATOM 1254 N GLU A 82 -2.539 6.490 14.788 1.00 64.15 N ATOM 1255 CA GLU A 82 -2.626 7.025 16.156 1.00 51.51 C ATOM 1256 C GLU A 82 -3.046 5.949 17.186 1.00 3.24 C ATOM 1257 O GLU A 82 -2.276 5.708 18.148 1.00 35.81 O ATOM 1258 CB GLU A 82 -3.598 8.220 16.179 1.00 54.20 C ATOM 1259 CG GLU A 82 -4.975 7.915 15.590 1.00 14.01 C ATOM 1260 CD GLU A 82 -5.867 9.141 15.497 1.00 21.21 C ATOM 1261 OE1 GLU A 82 -6.544 9.471 16.492 1.00 23.11 O ATOM 1262 OE2 GLU A 82 -5.906 9.774 14.419 1.00 11.10 O ATOM 0 H GLU A 82 -3.247 6.859 14.154 1.00 64.15 H new ATOM 0 HA GLU A 82 -1.631 7.359 16.450 1.00 51.51 H new ATOM 0 HB2 GLU A 82 -3.721 8.555 17.209 1.00 54.20 H new ATOM 0 HB3 GLU A 82 -3.153 9.047 15.626 1.00 54.20 H new ATOM 0 HG2 GLU A 82 -4.852 7.486 14.595 1.00 14.01 H new ATOM 0 HG3 GLU A 82 -5.467 7.160 16.204 1.00 14.01 H new TER 1269 GLU A 82