USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 585 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 176 THR OG1 : rot 31:sc= 0.18 USER MOD Single : A 187 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 ASN : amide:sc= -0.0415 X(o=-0.041,f=0) USER MOD Single : A 189 ASN : amide:sc= -0.376 X(o=-0.38,f=-0.018) USER MOD Single : A 192 ASN : amide:sc= 1.08 K(o=1.1,f=-0.046) USER MOD Single : A 194 GLN : amide:sc= -0.1 K(o=-0.1,f=-2.4!) USER MOD Single : A 199 GLN : amide:sc= 0.0561 X(o=0.056,f=0) USER MOD Single : A 201 MET CE :methyl -156:sc= -0.531 (180deg=-1.61) USER MOD Single : A 205 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 209 SER OG : rot 71:sc= 0.999 USER MOD Single : B 176 THR OG1 : rot 32:sc= 0.174 USER MOD Single : B 187 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 188 ASN : amide:sc= -0.051 X(o=-0.051,f=0) USER MOD Single : B 189 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.0085) USER MOD Single : B 192 ASN : amide:sc= 1.18 K(o=1.2,f=-0.045) USER MOD Single : B 194 GLN : amide:sc= -0.111 K(o=-0.11,f=-2.5!) USER MOD Single : B 199 GLN : amide:sc= 0.0631 X(o=0.063,f=0) USER MOD Single : B 201 MET CE :methyl -158:sc= -0.516 (180deg=-1.62) USER MOD Single : B 205 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : B 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 209 SER OG : rot 71:sc= 1.01 USER MOD Single : B 212 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N THR A 176 9.940 0.978 -5.796 1.00 0.23 N ATOM 53 CA THR A 176 8.734 0.614 -6.507 1.00 0.24 C ATOM 54 C THR A 176 7.838 -0.245 -5.624 1.00 0.20 C ATOM 55 O THR A 176 8.319 -1.049 -4.827 1.00 0.21 O ATOM 56 CB THR A 176 9.077 -0.144 -7.803 1.00 0.31 C ATOM 57 OG1 THR A 176 10.024 0.618 -8.570 1.00 0.34 O ATOM 58 CG2 THR A 176 7.831 -0.400 -8.638 1.00 0.37 C ATOM 0 HA THR A 176 8.202 1.529 -6.768 1.00 0.24 H new ATOM 0 HB THR A 176 9.509 -1.107 -7.531 1.00 0.31 H new ATOM 0 HG1 THR A 176 10.594 1.137 -7.964 1.00 0.34 H new ATOM 0 HG21 THR A 176 8.106 -0.937 -9.546 1.00 0.37 H new ATOM 0 HG22 THR A 176 7.124 -0.998 -8.063 1.00 0.37 H new ATOM 0 HG23 THR A 176 7.370 0.551 -8.904 1.00 0.37 H new ATOM 66 N VAL A 177 6.540 -0.059 -5.765 1.00 0.17 N ATOM 67 CA VAL A 177 5.572 -0.777 -4.967 1.00 0.14 C ATOM 68 C VAL A 177 4.820 -1.786 -5.826 1.00 0.13 C ATOM 69 O VAL A 177 4.403 -1.466 -6.937 1.00 0.14 O ATOM 70 CB VAL A 177 4.573 0.205 -4.327 1.00 0.14 C ATOM 71 CG1 VAL A 177 3.453 -0.529 -3.621 1.00 0.14 C ATOM 72 CG2 VAL A 177 5.290 1.125 -3.359 1.00 0.19 C ATOM 0 H VAL A 177 6.130 0.592 -6.434 1.00 0.17 H new ATOM 0 HA VAL A 177 6.104 -1.309 -4.178 1.00 0.14 H new ATOM 0 HB VAL A 177 4.131 0.802 -5.125 1.00 0.14 H new ATOM 0 HG11 VAL A 177 2.766 0.193 -3.180 1.00 0.14 H new ATOM 0 HG12 VAL A 177 2.916 -1.150 -4.338 1.00 0.14 H new ATOM 0 HG13 VAL A 177 3.870 -1.159 -2.835 1.00 0.14 H new ATOM 0 HG21 VAL A 177 4.573 1.814 -2.913 1.00 0.19 H new ATOM 0 HG22 VAL A 177 5.760 0.532 -2.574 1.00 0.19 H new ATOM 0 HG23 VAL A 177 6.054 1.691 -3.893 1.00 0.19 H new ATOM 82 N PRO A 178 4.664 -3.029 -5.344 1.00 0.13 N ATOM 83 CA PRO A 178 3.871 -4.029 -6.047 1.00 0.13 C ATOM 84 C PRO A 178 2.379 -3.749 -5.893 1.00 0.12 C ATOM 85 O PRO A 178 1.717 -4.260 -4.991 1.00 0.11 O ATOM 86 CB PRO A 178 4.256 -5.334 -5.346 1.00 0.13 C ATOM 87 CG PRO A 178 4.653 -4.923 -3.971 1.00 0.13 C ATOM 88 CD PRO A 178 5.256 -3.550 -4.103 1.00 0.13 C ATOM 0 HA PRO A 178 4.059 -4.047 -7.121 1.00 0.13 H new ATOM 0 HB2 PRO A 178 3.420 -6.033 -5.324 1.00 0.13 H new ATOM 0 HB3 PRO A 178 5.076 -5.834 -5.862 1.00 0.13 H new ATOM 0 HG2 PRO A 178 3.790 -4.907 -3.305 1.00 0.13 H new ATOM 0 HG3 PRO A 178 5.371 -5.625 -3.547 1.00 0.13 H new ATOM 0 HD2 PRO A 178 5.011 -2.921 -3.247 1.00 0.13 H new ATOM 0 HD3 PRO A 178 6.343 -3.594 -4.165 1.00 0.13 H new ATOM 96 N TRP A 179 1.860 -2.957 -6.814 1.00 0.14 N ATOM 97 CA TRP A 179 0.472 -2.527 -6.765 1.00 0.14 C ATOM 98 C TRP A 179 -0.492 -3.654 -7.102 1.00 0.13 C ATOM 99 O TRP A 179 -1.642 -3.637 -6.675 1.00 0.15 O ATOM 100 CB TRP A 179 0.256 -1.337 -7.693 1.00 0.17 C ATOM 101 CG TRP A 179 1.035 -0.135 -7.265 1.00 0.15 C ATOM 102 CD1 TRP A 179 2.106 0.424 -7.896 1.00 0.16 C ATOM 103 CD2 TRP A 179 0.816 0.641 -6.085 1.00 0.14 C ATOM 104 NE1 TRP A 179 2.558 1.508 -7.185 1.00 0.15 N ATOM 105 CE2 TRP A 179 1.779 1.662 -6.069 1.00 0.15 C ATOM 106 CE3 TRP A 179 -0.110 0.571 -5.043 1.00 0.16 C ATOM 107 CZ2 TRP A 179 1.845 2.607 -5.051 1.00 0.16 C ATOM 108 CZ3 TRP A 179 -0.045 1.505 -4.033 1.00 0.18 C ATOM 109 CH2 TRP A 179 0.926 2.513 -4.042 1.00 0.18 C ATOM 0 H TRP A 179 2.383 -2.595 -7.612 1.00 0.14 H new ATOM 0 HA TRP A 179 0.260 -2.223 -5.740 1.00 0.14 H new ATOM 0 HB2 TRP A 179 0.546 -1.613 -8.707 1.00 0.17 H new ATOM 0 HB3 TRP A 179 -0.805 -1.089 -7.721 1.00 0.17 H new ATOM 0 HD1 TRP A 179 2.536 0.067 -8.820 1.00 0.16 H new ATOM 0 HE1 TRP A 179 3.345 2.102 -7.445 1.00 0.15 H new ATOM 0 HE3 TRP A 179 -0.864 -0.202 -5.029 1.00 0.16 H new ATOM 0 HZ2 TRP A 179 2.593 3.386 -5.057 1.00 0.16 H new ATOM 0 HZ3 TRP A 179 -0.755 1.459 -3.221 1.00 0.18 H new ATOM 0 HH2 TRP A 179 0.950 3.231 -3.236 1.00 0.18 H new ATOM 120 N ASP A 180 -0.022 -4.640 -7.843 1.00 0.13 N ATOM 121 CA ASP A 180 -0.870 -5.763 -8.215 1.00 0.14 C ATOM 122 C ASP A 180 -0.996 -6.733 -7.050 1.00 0.12 C ATOM 123 O ASP A 180 -2.091 -7.202 -6.728 1.00 0.12 O ATOM 124 CB ASP A 180 -0.320 -6.478 -9.448 1.00 0.19 C ATOM 125 CG ASP A 180 -1.186 -7.646 -9.873 1.00 1.21 C ATOM 126 OD1 ASP A 180 -2.137 -7.434 -10.655 1.00 2.10 O ATOM 127 OD2 ASP A 180 -0.913 -8.782 -9.433 1.00 1.81 O ATOM 0 H ASP A 180 0.933 -4.689 -8.198 1.00 0.13 H new ATOM 0 HA ASP A 180 -1.860 -5.378 -8.462 1.00 0.14 H new ATOM 0 HB2 ASP A 180 -0.242 -5.768 -10.272 1.00 0.19 H new ATOM 0 HB3 ASP A 180 0.688 -6.834 -9.238 1.00 0.19 H new ATOM 132 N ASP A 181 0.128 -7.014 -6.404 1.00 0.11 N ATOM 133 CA ASP A 181 0.145 -7.898 -5.245 1.00 0.12 C ATOM 134 C ASP A 181 -0.599 -7.252 -4.088 1.00 0.11 C ATOM 135 O ASP A 181 -1.322 -7.921 -3.345 1.00 0.13 O ATOM 136 CB ASP A 181 1.581 -8.225 -4.824 1.00 0.16 C ATOM 137 CG ASP A 181 2.329 -9.054 -5.849 1.00 0.23 C ATOM 138 OD1 ASP A 181 2.884 -8.471 -6.803 1.00 1.02 O ATOM 139 OD2 ASP A 181 2.376 -10.293 -5.697 1.00 0.82 O ATOM 0 H ASP A 181 1.042 -6.642 -6.663 1.00 0.11 H new ATOM 0 HA ASP A 181 -0.351 -8.829 -5.519 1.00 0.12 H new ATOM 0 HB2 ASP A 181 2.123 -7.295 -4.652 1.00 0.16 H new ATOM 0 HB3 ASP A 181 1.561 -8.762 -3.876 1.00 0.16 H new ATOM 144 N ILE A 182 -0.427 -5.944 -3.942 1.00 0.11 N ATOM 145 CA ILE A 182 -1.132 -5.204 -2.915 1.00 0.14 C ATOM 146 C ILE A 182 -2.622 -5.185 -3.212 1.00 0.13 C ATOM 147 O ILE A 182 -3.432 -5.384 -2.313 1.00 0.13 O ATOM 148 CB ILE A 182 -0.598 -3.762 -2.766 1.00 0.17 C ATOM 149 CG1 ILE A 182 0.804 -3.787 -2.164 1.00 0.17 C ATOM 150 CG2 ILE A 182 -1.526 -2.924 -1.901 1.00 0.26 C ATOM 151 CD1 ILE A 182 1.394 -2.416 -1.954 1.00 0.20 C ATOM 0 H ILE A 182 0.194 -5.379 -4.522 1.00 0.11 H new ATOM 0 HA ILE A 182 -0.958 -5.714 -1.968 1.00 0.14 H new ATOM 0 HB ILE A 182 -0.555 -3.307 -3.756 1.00 0.17 H new ATOM 0 HG12 ILE A 182 0.771 -4.310 -1.208 1.00 0.17 H new ATOM 0 HG13 ILE A 182 1.461 -4.360 -2.818 1.00 0.17 H new ATOM 0 HG21 ILE A 182 -1.127 -1.914 -1.812 1.00 0.26 H new ATOM 0 HG22 ILE A 182 -2.514 -2.885 -2.359 1.00 0.26 H new ATOM 0 HG23 ILE A 182 -1.603 -3.372 -0.910 1.00 0.26 H new ATOM 0 HD11 ILE A 182 2.391 -2.511 -1.524 1.00 0.20 H new ATOM 0 HD12 ILE A 182 1.460 -1.898 -2.911 1.00 0.20 H new ATOM 0 HD13 ILE A 182 0.759 -1.846 -1.276 1.00 0.20 H new ATOM 163 N GLU A 183 -2.987 -4.973 -4.474 1.00 0.14 N ATOM 164 CA GLU A 183 -4.385 -5.019 -4.877 1.00 0.15 C ATOM 165 C GLU A 183 -5.004 -6.363 -4.522 1.00 0.14 C ATOM 166 O GLU A 183 -6.152 -6.430 -4.098 1.00 0.14 O ATOM 167 CB GLU A 183 -4.525 -4.771 -6.379 1.00 0.18 C ATOM 168 CG GLU A 183 -5.962 -4.812 -6.870 1.00 0.27 C ATOM 169 CD GLU A 183 -6.070 -4.636 -8.365 1.00 0.34 C ATOM 170 OE1 GLU A 183 -5.808 -5.611 -9.102 1.00 1.09 O ATOM 171 OE2 GLU A 183 -6.415 -3.522 -8.812 1.00 1.06 O ATOM 0 H GLU A 183 -2.335 -4.769 -5.231 1.00 0.14 H new ATOM 0 HA GLU A 183 -4.912 -4.232 -4.338 1.00 0.15 H new ATOM 0 HB2 GLU A 183 -4.095 -3.799 -6.620 1.00 0.18 H new ATOM 0 HB3 GLU A 183 -3.944 -5.519 -6.918 1.00 0.18 H new ATOM 0 HG2 GLU A 183 -6.412 -5.764 -6.587 1.00 0.27 H new ATOM 0 HG3 GLU A 183 -6.534 -4.028 -6.373 1.00 0.27 H new ATOM 178 N ALA A 184 -4.233 -7.432 -4.681 1.00 0.13 N ATOM 179 CA ALA A 184 -4.713 -8.766 -4.355 1.00 0.13 C ATOM 180 C ALA A 184 -4.898 -8.918 -2.851 1.00 0.13 C ATOM 181 O ALA A 184 -5.836 -9.568 -2.390 1.00 0.13 O ATOM 182 CB ALA A 184 -3.749 -9.814 -4.884 1.00 0.15 C ATOM 0 H ALA A 184 -3.276 -7.400 -5.033 1.00 0.13 H new ATOM 0 HA ALA A 184 -5.682 -8.912 -4.832 1.00 0.13 H new ATOM 0 HB1 ALA A 184 -4.119 -10.808 -4.634 1.00 0.15 H new ATOM 0 HB2 ALA A 184 -3.667 -9.719 -5.967 1.00 0.15 H new ATOM 0 HB3 ALA A 184 -2.768 -9.668 -4.432 1.00 0.15 H new ATOM 188 N LEU A 185 -4.017 -8.282 -2.091 1.00 0.12 N ATOM 189 CA LEU A 185 -4.094 -8.332 -0.640 1.00 0.13 C ATOM 190 C LEU A 185 -5.314 -7.569 -0.150 1.00 0.11 C ATOM 191 O LEU A 185 -6.024 -8.025 0.736 1.00 0.12 O ATOM 192 CB LEU A 185 -2.832 -7.749 -0.007 1.00 0.14 C ATOM 193 CG LEU A 185 -2.892 -7.578 1.513 1.00 0.15 C ATOM 194 CD1 LEU A 185 -3.089 -8.916 2.205 1.00 0.16 C ATOM 195 CD2 LEU A 185 -1.634 -6.901 2.014 1.00 0.18 C ATOM 0 H LEU A 185 -3.243 -7.727 -2.455 1.00 0.12 H new ATOM 0 HA LEU A 185 -4.181 -9.377 -0.343 1.00 0.13 H new ATOM 0 HB2 LEU A 185 -1.989 -8.395 -0.252 1.00 0.14 H new ATOM 0 HB3 LEU A 185 -2.632 -6.778 -0.459 1.00 0.14 H new ATOM 0 HG LEU A 185 -3.748 -6.947 1.752 1.00 0.15 H new ATOM 0 HD11 LEU A 185 -3.128 -8.765 3.284 1.00 0.16 H new ATOM 0 HD12 LEU A 185 -4.022 -9.366 1.867 1.00 0.16 H new ATOM 0 HD13 LEU A 185 -2.258 -9.578 1.961 1.00 0.16 H new ATOM 0 HD21 LEU A 185 -1.689 -6.785 3.096 1.00 0.18 H new ATOM 0 HD22 LEU A 185 -0.767 -7.510 1.758 1.00 0.18 H new ATOM 0 HD23 LEU A 185 -1.539 -5.920 1.549 1.00 0.18 H new ATOM 207 N LEU A 186 -5.553 -6.409 -0.739 1.00 0.11 N ATOM 208 CA LEU A 186 -6.694 -5.587 -0.377 1.00 0.10 C ATOM 209 C LEU A 186 -7.983 -6.203 -0.887 1.00 0.09 C ATOM 210 O LEU A 186 -9.044 -6.009 -0.306 1.00 0.08 O ATOM 211 CB LEU A 186 -6.535 -4.166 -0.917 1.00 0.10 C ATOM 212 CG LEU A 186 -5.742 -3.210 -0.020 1.00 0.11 C ATOM 213 CD1 LEU A 186 -6.395 -3.104 1.343 1.00 0.09 C ATOM 214 CD2 LEU A 186 -4.299 -3.661 0.124 1.00 0.14 C ATOM 0 H LEU A 186 -4.967 -6.014 -1.475 1.00 0.11 H new ATOM 0 HA LEU A 186 -6.740 -5.538 0.711 1.00 0.10 H new ATOM 0 HB2 LEU A 186 -6.044 -4.217 -1.889 1.00 0.10 H new ATOM 0 HB3 LEU A 186 -7.527 -3.745 -1.082 1.00 0.10 H new ATOM 0 HG LEU A 186 -5.744 -2.228 -0.492 1.00 0.11 H new ATOM 0 HD11 LEU A 186 -5.821 -2.422 1.969 1.00 0.09 H new ATOM 0 HD12 LEU A 186 -7.411 -2.726 1.231 1.00 0.09 H new ATOM 0 HD13 LEU A 186 -6.424 -4.088 1.810 1.00 0.09 H new ATOM 0 HD21 LEU A 186 -3.762 -2.963 0.766 1.00 0.14 H new ATOM 0 HD22 LEU A 186 -4.271 -4.656 0.567 1.00 0.14 H new ATOM 0 HD23 LEU A 186 -3.827 -3.688 -0.858 1.00 0.14 H new ATOM 226 N LYS A 187 -7.881 -6.953 -1.969 1.00 0.11 N ATOM 227 CA LYS A 187 -9.018 -7.681 -2.498 1.00 0.12 C ATOM 228 C LYS A 187 -9.426 -8.757 -1.507 1.00 0.13 C ATOM 229 O LYS A 187 -10.608 -8.952 -1.229 1.00 0.14 O ATOM 230 CB LYS A 187 -8.675 -8.311 -3.846 1.00 0.15 C ATOM 231 CG LYS A 187 -9.854 -8.996 -4.511 1.00 0.22 C ATOM 232 CD LYS A 187 -9.451 -9.670 -5.814 1.00 0.29 C ATOM 233 CE LYS A 187 -8.434 -10.774 -5.578 1.00 0.78 C ATOM 234 NZ LYS A 187 -8.075 -11.480 -6.833 1.00 1.61 N ATOM 0 H LYS A 187 -7.018 -7.074 -2.500 1.00 0.11 H new ATOM 0 HA LYS A 187 -9.846 -6.988 -2.649 1.00 0.12 H new ATOM 0 HB2 LYS A 187 -8.291 -7.538 -4.512 1.00 0.15 H new ATOM 0 HB3 LYS A 187 -7.875 -9.038 -3.706 1.00 0.15 H new ATOM 0 HG2 LYS A 187 -10.274 -9.738 -3.832 1.00 0.22 H new ATOM 0 HG3 LYS A 187 -10.637 -8.264 -4.707 1.00 0.22 H new ATOM 0 HD2 LYS A 187 -10.335 -10.085 -6.299 1.00 0.29 H new ATOM 0 HD3 LYS A 187 -9.033 -8.928 -6.495 1.00 0.29 H new ATOM 0 HE2 LYS A 187 -7.535 -10.349 -5.132 1.00 0.78 H new ATOM 0 HE3 LYS A 187 -8.837 -11.490 -4.862 1.00 0.78 H new ATOM 0 HZ1 LYS A 187 -7.379 -12.225 -6.626 1.00 1.61 H new ATOM 0 HZ2 LYS A 187 -8.928 -11.908 -7.246 1.00 1.61 H new ATOM 0 HZ3 LYS A 187 -7.666 -10.802 -7.508 1.00 1.61 H new ATOM 248 N ASN A 188 -8.431 -9.451 -0.979 1.00 0.16 N ATOM 249 CA ASN A 188 -8.641 -10.442 0.066 1.00 0.20 C ATOM 250 C ASN A 188 -9.114 -9.778 1.354 1.00 0.19 C ATOM 251 O ASN A 188 -9.961 -10.306 2.069 1.00 0.24 O ATOM 252 CB ASN A 188 -7.333 -11.203 0.307 1.00 0.25 C ATOM 253 CG ASN A 188 -7.392 -12.123 1.511 1.00 0.75 C ATOM 254 OD1 ASN A 188 -7.812 -13.276 1.409 1.00 0.75 O ATOM 255 ND2 ASN A 188 -6.948 -11.628 2.656 1.00 1.37 N ATOM 0 H ASN A 188 -7.457 -9.344 -1.261 1.00 0.16 H new ATOM 0 HA ASN A 188 -9.415 -11.140 -0.254 1.00 0.20 H new ATOM 0 HB2 ASN A 188 -7.093 -11.790 -0.580 1.00 0.25 H new ATOM 0 HB3 ASN A 188 -6.523 -10.487 0.444 1.00 0.25 H new ATOM 0 HD21 ASN A 188 -6.946 -12.207 3.495 1.00 1.37 H new ATOM 0 HD22 ASN A 188 -6.608 -10.667 2.699 1.00 1.37 H new ATOM 262 N ASN A 189 -8.565 -8.608 1.630 1.00 0.14 N ATOM 263 CA ASN A 189 -8.884 -7.857 2.837 1.00 0.14 C ATOM 264 C ASN A 189 -10.325 -7.367 2.798 1.00 0.13 C ATOM 265 O ASN A 189 -11.013 -7.321 3.816 1.00 0.17 O ATOM 266 CB ASN A 189 -7.929 -6.666 2.957 1.00 0.13 C ATOM 267 CG ASN A 189 -7.969 -6.002 4.318 1.00 0.18 C ATOM 268 OD1 ASN A 189 -8.747 -5.078 4.558 1.00 0.21 O ATOM 269 ND2 ASN A 189 -7.120 -6.462 5.215 1.00 0.23 N ATOM 0 H ASN A 189 -7.884 -8.149 1.024 1.00 0.14 H new ATOM 0 HA ASN A 189 -8.768 -8.509 3.703 1.00 0.14 H new ATOM 0 HB2 ASN A 189 -6.912 -7.002 2.754 1.00 0.13 H new ATOM 0 HB3 ASN A 189 -8.180 -5.930 2.193 1.00 0.13 H new ATOM 0 HD21 ASN A 189 -7.091 -6.051 6.148 1.00 0.23 H new ATOM 0 HD22 ASN A 189 -6.492 -7.229 4.976 1.00 0.23 H new ATOM 276 N PHE A 190 -10.777 -7.032 1.604 1.00 0.11 N ATOM 277 CA PHE A 190 -12.104 -6.487 1.396 1.00 0.10 C ATOM 278 C PHE A 190 -12.948 -7.435 0.555 1.00 0.11 C ATOM 279 O PHE A 190 -13.654 -6.982 -0.340 1.00 0.12 O ATOM 280 CB PHE A 190 -12.035 -5.108 0.741 1.00 0.09 C ATOM 281 CG PHE A 190 -11.534 -4.023 1.656 1.00 0.10 C ATOM 282 CD1 PHE A 190 -12.349 -3.518 2.656 1.00 1.18 C ATOM 283 CD2 PHE A 190 -10.256 -3.504 1.511 1.00 1.17 C ATOM 284 CE1 PHE A 190 -11.901 -2.516 3.496 1.00 1.18 C ATOM 285 CE2 PHE A 190 -9.805 -2.502 2.352 1.00 1.18 C ATOM 286 CZ PHE A 190 -10.629 -2.009 3.344 1.00 0.14 C ATOM 0 H PHE A 190 -10.231 -7.131 0.748 1.00 0.11 H new ATOM 0 HA PHE A 190 -12.577 -6.375 2.371 1.00 0.10 H new ATOM 0 HB2 PHE A 190 -11.384 -5.163 -0.132 1.00 0.09 H new ATOM 0 HB3 PHE A 190 -13.028 -4.837 0.382 1.00 0.09 H new ATOM 0 HD1 PHE A 190 -13.347 -3.912 2.781 1.00 1.18 H new ATOM 0 HD2 PHE A 190 -9.608 -3.885 0.736 1.00 1.17 H new ATOM 0 HE1 PHE A 190 -12.547 -2.131 4.271 1.00 1.18 H new ATOM 0 HE2 PHE A 190 -8.808 -2.105 2.232 1.00 1.18 H new ATOM 0 HZ PHE A 190 -10.277 -1.227 4.000 1.00 0.14 H new ATOM 296 N GLU A 191 -12.683 -8.741 0.726 1.00 0.14 N ATOM 297 CA GLU A 191 -13.523 -9.885 0.254 1.00 0.21 C ATOM 298 C GLU A 191 -15.063 -9.686 0.319 1.00 0.21 C ATOM 299 O GLU A 191 -15.809 -10.607 0.672 1.00 0.22 O ATOM 300 CB GLU A 191 -13.149 -11.137 1.053 1.00 0.30 C ATOM 301 CG GLU A 191 -13.161 -10.918 2.558 1.00 0.38 C ATOM 302 CD GLU A 191 -12.989 -12.202 3.341 1.00 0.84 C ATOM 303 OE1 GLU A 191 -11.835 -12.615 3.584 1.00 1.74 O ATOM 304 OE2 GLU A 191 -14.012 -12.793 3.741 1.00 1.40 O ATOM 0 H GLU A 191 -11.845 -9.055 1.216 1.00 0.14 H new ATOM 0 HA GLU A 191 -13.299 -9.976 -0.809 1.00 0.21 H new ATOM 0 HB2 GLU A 191 -13.844 -11.939 0.804 1.00 0.30 H new ATOM 0 HB3 GLU A 191 -12.156 -11.470 0.749 1.00 0.30 H new ATOM 0 HG2 GLU A 191 -12.363 -10.225 2.826 1.00 0.38 H new ATOM 0 HG3 GLU A 191 -14.101 -10.447 2.844 1.00 0.38 H new ATOM 311 N ASN A 192 -15.515 -8.508 -0.045 1.00 0.31 N ATOM 312 CA ASN A 192 -16.919 -8.131 -0.021 1.00 0.44 C ATOM 313 C ASN A 192 -17.083 -6.759 -0.656 1.00 0.57 C ATOM 314 O ASN A 192 -17.971 -6.535 -1.478 1.00 1.09 O ATOM 315 CB ASN A 192 -17.445 -8.106 1.417 1.00 0.47 C ATOM 316 CG ASN A 192 -18.908 -7.711 1.504 1.00 0.61 C ATOM 317 OD1 ASN A 192 -19.797 -8.557 1.422 1.00 0.69 O ATOM 318 ND2 ASN A 192 -19.168 -6.427 1.693 1.00 1.16 N ATOM 0 H ASN A 192 -14.903 -7.762 -0.376 1.00 0.31 H new ATOM 0 HA ASN A 192 -17.493 -8.867 -0.584 1.00 0.44 H new ATOM 0 HB2 ASN A 192 -17.313 -9.091 1.864 1.00 0.47 H new ATOM 0 HB3 ASN A 192 -16.850 -7.407 2.004 1.00 0.47 H new ATOM 0 HD21 ASN A 192 -20.134 -6.109 1.776 1.00 1.16 H new ATOM 0 HD22 ASN A 192 -18.403 -5.756 1.756 1.00 1.16 H new ATOM 325 N ASP A 193 -16.200 -5.851 -0.278 1.00 0.20 N ATOM 326 CA ASP A 193 -16.247 -4.484 -0.762 1.00 0.24 C ATOM 327 C ASP A 193 -15.138 -4.237 -1.778 1.00 0.19 C ATOM 328 O ASP A 193 -14.076 -3.709 -1.447 1.00 0.16 O ATOM 329 CB ASP A 193 -16.120 -3.503 0.405 1.00 0.33 C ATOM 330 CG ASP A 193 -17.259 -3.623 1.397 1.00 0.84 C ATOM 331 OD1 ASP A 193 -17.241 -4.564 2.219 1.00 1.78 O ATOM 332 OD2 ASP A 193 -18.177 -2.777 1.366 1.00 1.27 O ATOM 0 H ASP A 193 -15.435 -6.040 0.369 1.00 0.20 H new ATOM 0 HA ASP A 193 -17.208 -4.326 -1.252 1.00 0.24 H new ATOM 0 HB2 ASP A 193 -15.175 -3.678 0.920 1.00 0.33 H new ATOM 0 HB3 ASP A 193 -16.088 -2.485 0.017 1.00 0.33 H new ATOM 337 N GLN A 194 -15.386 -4.624 -3.017 1.00 0.21 N ATOM 338 CA GLN A 194 -14.419 -4.426 -4.089 1.00 0.21 C ATOM 339 C GLN A 194 -14.256 -2.939 -4.361 1.00 0.21 C ATOM 340 O GLN A 194 -13.179 -2.469 -4.722 1.00 0.24 O ATOM 341 CB GLN A 194 -14.864 -5.151 -5.356 1.00 0.26 C ATOM 342 CG GLN A 194 -15.079 -6.644 -5.166 1.00 0.26 C ATOM 343 CD GLN A 194 -13.840 -7.364 -4.666 1.00 0.25 C ATOM 344 OE1 GLN A 194 -13.009 -7.809 -5.455 1.00 0.44 O ATOM 345 NE2 GLN A 194 -13.718 -7.499 -3.355 1.00 0.35 N ATOM 0 H GLN A 194 -16.251 -5.079 -3.309 1.00 0.21 H new ATOM 0 HA GLN A 194 -13.460 -4.841 -3.780 1.00 0.21 H new ATOM 0 HB2 GLN A 194 -15.791 -4.703 -5.713 1.00 0.26 H new ATOM 0 HB3 GLN A 194 -14.115 -4.997 -6.133 1.00 0.26 H new ATOM 0 HG2 GLN A 194 -15.894 -6.801 -4.459 1.00 0.26 H new ATOM 0 HG3 GLN A 194 -15.390 -7.084 -6.113 1.00 0.26 H new ATOM 0 HE21 GLN A 194 -14.430 -7.115 -2.734 1.00 0.35 H new ATOM 0 HE22 GLN A 194 -12.912 -7.987 -2.965 1.00 0.35 H new ATOM 354 N ALA A 195 -15.349 -2.212 -4.184 1.00 0.25 N ATOM 355 CA ALA A 195 -15.334 -0.755 -4.243 1.00 0.25 C ATOM 356 C ALA A 195 -14.339 -0.185 -3.242 1.00 0.20 C ATOM 357 O ALA A 195 -13.691 0.833 -3.493 1.00 0.19 O ATOM 358 CB ALA A 195 -16.722 -0.206 -3.971 1.00 0.32 C ATOM 0 H ALA A 195 -16.268 -2.612 -3.996 1.00 0.25 H new ATOM 0 HA ALA A 195 -15.024 -0.455 -5.244 1.00 0.25 H new ATOM 0 HB1 ALA A 195 -16.698 0.883 -4.018 1.00 0.32 H new ATOM 0 HB2 ALA A 195 -17.417 -0.586 -4.720 1.00 0.32 H new ATOM 0 HB3 ALA A 195 -17.049 -0.520 -2.980 1.00 0.32 H new ATOM 364 N ALA A 196 -14.193 -0.870 -2.118 1.00 0.17 N ATOM 365 CA ALA A 196 -13.264 -0.446 -1.092 1.00 0.15 C ATOM 366 C ALA A 196 -11.853 -0.775 -1.530 1.00 0.10 C ATOM 367 O ALA A 196 -10.939 0.009 -1.324 1.00 0.08 O ATOM 368 CB ALA A 196 -13.583 -1.106 0.235 1.00 0.18 C ATOM 0 H ALA A 196 -14.708 -1.722 -1.897 1.00 0.17 H new ATOM 0 HA ALA A 196 -13.355 0.631 -0.952 1.00 0.15 H new ATOM 0 HB1 ALA A 196 -12.871 -0.771 0.989 1.00 0.18 H new ATOM 0 HB2 ALA A 196 -14.592 -0.834 0.543 1.00 0.18 H new ATOM 0 HB3 ALA A 196 -13.516 -2.189 0.128 1.00 0.18 H new ATOM 374 N VAL A 197 -11.693 -1.939 -2.155 1.00 0.11 N ATOM 375 CA VAL A 197 -10.410 -2.330 -2.732 1.00 0.10 C ATOM 376 C VAL A 197 -9.914 -1.251 -3.687 1.00 0.11 C ATOM 377 O VAL A 197 -8.756 -0.839 -3.640 1.00 0.11 O ATOM 378 CB VAL A 197 -10.514 -3.663 -3.505 1.00 0.12 C ATOM 379 CG1 VAL A 197 -9.160 -4.072 -4.065 1.00 0.14 C ATOM 380 CG2 VAL A 197 -11.079 -4.759 -2.619 1.00 0.11 C ATOM 0 H VAL A 197 -12.436 -2.628 -2.275 1.00 0.11 H new ATOM 0 HA VAL A 197 -9.710 -2.457 -1.906 1.00 0.10 H new ATOM 0 HB VAL A 197 -11.197 -3.514 -4.341 1.00 0.12 H new ATOM 0 HG11 VAL A 197 -9.259 -5.014 -4.605 1.00 0.14 H new ATOM 0 HG12 VAL A 197 -8.799 -3.300 -4.745 1.00 0.14 H new ATOM 0 HG13 VAL A 197 -8.450 -4.196 -3.247 1.00 0.14 H new ATOM 0 HG21 VAL A 197 -11.143 -5.688 -3.185 1.00 0.11 H new ATOM 0 HG22 VAL A 197 -10.427 -4.903 -1.758 1.00 0.11 H new ATOM 0 HG23 VAL A 197 -12.074 -4.474 -2.277 1.00 0.11 H new ATOM 390 N ARG A 198 -10.817 -0.776 -4.533 1.00 0.12 N ATOM 391 CA ARG A 198 -10.487 0.257 -5.500 1.00 0.14 C ATOM 392 C ARG A 198 -10.044 1.526 -4.793 1.00 0.13 C ATOM 393 O ARG A 198 -8.966 2.052 -5.062 1.00 0.14 O ATOM 394 CB ARG A 198 -11.689 0.563 -6.396 1.00 0.19 C ATOM 395 CG ARG A 198 -12.176 -0.626 -7.200 1.00 0.24 C ATOM 396 CD ARG A 198 -13.346 -0.244 -8.090 1.00 0.35 C ATOM 397 NE ARG A 198 -12.971 0.736 -9.108 1.00 1.12 N ATOM 398 CZ ARG A 198 -13.848 1.426 -9.836 1.00 1.48 C ATOM 399 NH1 ARG A 198 -15.152 1.278 -9.637 1.00 1.02 N ATOM 400 NH2 ARG A 198 -13.423 2.272 -10.764 1.00 2.36 N ATOM 0 H ARG A 198 -11.786 -1.092 -4.568 1.00 0.12 H new ATOM 0 HA ARG A 198 -9.669 -0.111 -6.119 1.00 0.14 H new ATOM 0 HB2 ARG A 198 -12.507 0.929 -5.776 1.00 0.19 H new ATOM 0 HB3 ARG A 198 -11.423 1.368 -7.081 1.00 0.19 H new ATOM 0 HG2 ARG A 198 -11.361 -1.013 -7.812 1.00 0.24 H new ATOM 0 HG3 ARG A 198 -12.476 -1.427 -6.524 1.00 0.24 H new ATOM 0 HD2 ARG A 198 -13.737 -1.138 -8.576 1.00 0.35 H new ATOM 0 HD3 ARG A 198 -14.149 0.163 -7.476 1.00 0.35 H new ATOM 0 HE ARG A 198 -11.978 0.902 -9.271 1.00 1.12 H new ATOM 0 HH11 ARG A 198 -15.489 0.632 -8.923 1.00 1.02 H new ATOM 0 HH12 ARG A 198 -15.817 1.810 -10.198 1.00 1.02 H new ATOM 0 HH21 ARG A 198 -12.423 2.396 -10.922 1.00 2.36 H new ATOM 0 HH22 ARG A 198 -14.096 2.799 -11.320 1.00 2.36 H new ATOM 414 N GLN A 199 -10.868 1.990 -3.863 1.00 0.13 N ATOM 415 CA GLN A 199 -10.622 3.252 -3.177 1.00 0.13 C ATOM 416 C GLN A 199 -9.338 3.219 -2.352 1.00 0.12 C ATOM 417 O GLN A 199 -8.605 4.208 -2.295 1.00 0.12 O ATOM 418 CB GLN A 199 -11.807 3.604 -2.286 1.00 0.14 C ATOM 419 CG GLN A 199 -13.091 3.841 -3.057 1.00 0.17 C ATOM 420 CD GLN A 199 -14.264 4.171 -2.158 1.00 0.23 C ATOM 421 OE1 GLN A 199 -14.517 5.336 -1.850 1.00 0.29 O ATOM 422 NE2 GLN A 199 -14.993 3.149 -1.743 1.00 0.25 N ATOM 0 H GLN A 199 -11.717 1.509 -3.565 1.00 0.13 H new ATOM 0 HA GLN A 199 -10.499 4.019 -3.942 1.00 0.13 H new ATOM 0 HB2 GLN A 199 -11.966 2.798 -1.570 1.00 0.14 H new ATOM 0 HB3 GLN A 199 -11.567 4.498 -1.711 1.00 0.14 H new ATOM 0 HG2 GLN A 199 -12.940 4.657 -3.763 1.00 0.17 H new ATOM 0 HG3 GLN A 199 -13.327 2.952 -3.643 1.00 0.17 H new ATOM 0 HE21 GLN A 199 -14.747 2.200 -2.023 1.00 0.25 H new ATOM 0 HE22 GLN A 199 -15.802 3.310 -1.143 1.00 0.25 H new ATOM 431 N VAL A 200 -9.046 2.082 -1.735 1.00 0.12 N ATOM 432 CA VAL A 200 -7.865 1.984 -0.891 1.00 0.12 C ATOM 433 C VAL A 200 -6.616 1.925 -1.754 1.00 0.12 C ATOM 434 O VAL A 200 -5.603 2.537 -1.432 1.00 0.12 O ATOM 435 CB VAL A 200 -7.891 0.770 0.071 1.00 0.14 C ATOM 436 CG1 VAL A 200 -9.085 0.846 1.002 1.00 0.16 C ATOM 437 CG2 VAL A 200 -7.901 -0.544 -0.689 1.00 0.14 C ATOM 0 H VAL A 200 -9.600 1.228 -1.801 1.00 0.12 H new ATOM 0 HA VAL A 200 -7.857 2.878 -0.267 1.00 0.12 H new ATOM 0 HB VAL A 200 -6.979 0.807 0.666 1.00 0.14 H new ATOM 0 HG11 VAL A 200 -9.082 -0.017 1.668 1.00 0.16 H new ATOM 0 HG12 VAL A 200 -9.028 1.761 1.592 1.00 0.16 H new ATOM 0 HG13 VAL A 200 -10.004 0.849 0.416 1.00 0.16 H new ATOM 0 HG21 VAL A 200 -7.919 -1.373 0.018 1.00 0.14 H new ATOM 0 HG22 VAL A 200 -8.785 -0.590 -1.325 1.00 0.14 H new ATOM 0 HG23 VAL A 200 -7.006 -0.614 -1.307 1.00 0.14 H new ATOM 447 N MET A 201 -6.705 1.216 -2.874 1.00 0.13 N ATOM 448 CA MET A 201 -5.579 1.092 -3.782 1.00 0.15 C ATOM 449 C MET A 201 -5.266 2.422 -4.443 1.00 0.12 C ATOM 450 O MET A 201 -4.105 2.773 -4.625 1.00 0.13 O ATOM 451 CB MET A 201 -5.850 0.034 -4.851 1.00 0.20 C ATOM 452 CG MET A 201 -5.807 -1.389 -4.325 1.00 1.01 C ATOM 453 SD MET A 201 -4.243 -1.776 -3.518 1.00 1.58 S ATOM 454 CE MET A 201 -3.081 -1.465 -4.846 1.00 1.20 C ATOM 0 H MET A 201 -7.545 0.720 -3.171 1.00 0.13 H new ATOM 0 HA MET A 201 -4.716 0.781 -3.193 1.00 0.15 H new ATOM 0 HB2 MET A 201 -6.829 0.219 -5.293 1.00 0.20 H new ATOM 0 HB3 MET A 201 -5.115 0.140 -5.649 1.00 0.20 H new ATOM 0 HG2 MET A 201 -6.624 -1.537 -3.618 1.00 1.01 H new ATOM 0 HG3 MET A 201 -5.969 -2.083 -5.150 1.00 1.01 H new ATOM 0 HE1 MET A 201 -2.170 -2.037 -4.673 1.00 1.20 H new ATOM 0 HE2 MET A 201 -3.524 -1.766 -5.795 1.00 1.20 H new ATOM 0 HE3 MET A 201 -2.841 -0.402 -4.878 1.00 1.20 H new ATOM 464 N GLU A 202 -6.305 3.173 -4.774 1.00 0.11 N ATOM 465 CA GLU A 202 -6.129 4.441 -5.463 1.00 0.11 C ATOM 466 C GLU A 202 -5.679 5.525 -4.497 1.00 0.10 C ATOM 467 O GLU A 202 -5.008 6.476 -4.891 1.00 0.10 O ATOM 468 CB GLU A 202 -7.418 4.851 -6.171 1.00 0.12 C ATOM 469 CG GLU A 202 -7.769 3.938 -7.329 1.00 0.14 C ATOM 470 CD GLU A 202 -9.001 4.391 -8.084 1.00 0.19 C ATOM 471 OE1 GLU A 202 -8.903 5.366 -8.861 1.00 0.99 O ATOM 472 OE2 GLU A 202 -10.068 3.764 -7.922 1.00 1.07 O ATOM 0 H GLU A 202 -7.275 2.927 -4.577 1.00 0.11 H new ATOM 0 HA GLU A 202 -5.350 4.314 -6.215 1.00 0.11 H new ATOM 0 HB2 GLU A 202 -8.238 4.850 -5.452 1.00 0.12 H new ATOM 0 HB3 GLU A 202 -7.317 5.872 -6.538 1.00 0.12 H new ATOM 0 HG2 GLU A 202 -6.925 3.891 -8.017 1.00 0.14 H new ATOM 0 HG3 GLU A 202 -7.931 2.928 -6.953 1.00 0.14 H new ATOM 479 N ARG A 203 -6.014 5.364 -3.226 1.00 0.09 N ATOM 480 CA ARG A 203 -5.576 6.314 -2.217 1.00 0.08 C ATOM 481 C ARG A 203 -4.127 6.027 -1.848 1.00 0.08 C ATOM 482 O ARG A 203 -3.353 6.942 -1.578 1.00 0.08 O ATOM 483 CB ARG A 203 -6.482 6.265 -0.985 1.00 0.10 C ATOM 484 CG ARG A 203 -6.055 7.212 0.125 1.00 0.21 C ATOM 485 CD ARG A 203 -7.077 7.246 1.248 1.00 0.14 C ATOM 486 NE ARG A 203 -6.573 7.927 2.440 1.00 0.48 N ATOM 487 CZ ARG A 203 -7.242 8.008 3.589 1.00 0.40 C ATOM 488 NH1 ARG A 203 -8.443 7.453 3.704 1.00 0.60 N ATOM 489 NH2 ARG A 203 -6.699 8.623 4.630 1.00 0.79 N ATOM 0 H ARG A 203 -6.581 4.594 -2.872 1.00 0.09 H new ATOM 0 HA ARG A 203 -5.643 7.323 -2.625 1.00 0.08 H new ATOM 0 HB2 ARG A 203 -7.502 6.507 -1.285 1.00 0.10 H new ATOM 0 HB3 ARG A 203 -6.497 5.247 -0.596 1.00 0.10 H new ATOM 0 HG2 ARG A 203 -5.088 6.900 0.520 1.00 0.21 H new ATOM 0 HG3 ARG A 203 -5.924 8.215 -0.281 1.00 0.21 H new ATOM 0 HD2 ARG A 203 -7.979 7.749 0.900 1.00 0.14 H new ATOM 0 HD3 ARG A 203 -7.361 6.226 1.508 1.00 0.14 H new ATOM 0 HE ARG A 203 -5.654 8.366 2.388 1.00 0.48 H new ATOM 0 HH11 ARG A 203 -8.856 6.963 2.911 1.00 0.60 H new ATOM 0 HH12 ARG A 203 -8.952 7.517 4.585 1.00 0.60 H new ATOM 0 HH21 ARG A 203 -5.769 9.034 4.551 1.00 0.79 H new ATOM 0 HH22 ARG A 203 -7.211 8.685 5.510 1.00 0.79 H new ATOM 503 N LEU A 204 -3.769 4.748 -1.836 1.00 0.08 N ATOM 504 CA LEU A 204 -2.380 4.336 -1.659 1.00 0.08 C ATOM 505 C LEU A 204 -1.505 4.819 -2.815 1.00 0.08 C ATOM 506 O LEU A 204 -0.395 5.291 -2.600 1.00 0.08 O ATOM 507 CB LEU A 204 -2.281 2.816 -1.541 1.00 0.08 C ATOM 508 CG LEU A 204 -2.790 2.219 -0.228 1.00 0.08 C ATOM 509 CD1 LEU A 204 -2.893 0.707 -0.335 1.00 0.09 C ATOM 510 CD2 LEU A 204 -1.871 2.606 0.919 1.00 0.09 C ATOM 0 H LEU A 204 -4.425 3.975 -1.947 1.00 0.08 H new ATOM 0 HA LEU A 204 -2.018 4.792 -0.738 1.00 0.08 H new ATOM 0 HB2 LEU A 204 -2.840 2.369 -2.363 1.00 0.08 H new ATOM 0 HB3 LEU A 204 -1.238 2.527 -1.670 1.00 0.08 H new ATOM 0 HG LEU A 204 -3.784 2.619 -0.029 1.00 0.08 H new ATOM 0 HD11 LEU A 204 -3.257 0.299 0.608 1.00 0.09 H new ATOM 0 HD12 LEU A 204 -3.586 0.445 -1.135 1.00 0.09 H new ATOM 0 HD13 LEU A 204 -1.910 0.290 -0.556 1.00 0.09 H new ATOM 0 HD21 LEU A 204 -2.246 2.174 1.847 1.00 0.09 H new ATOM 0 HD22 LEU A 204 -0.867 2.230 0.723 1.00 0.09 H new ATOM 0 HD23 LEU A 204 -1.841 3.692 1.010 1.00 0.09 H new ATOM 522 N GLN A 205 -2.011 4.700 -4.040 1.00 0.10 N ATOM 523 CA GLN A 205 -1.257 5.111 -5.224 1.00 0.12 C ATOM 524 C GLN A 205 -1.102 6.624 -5.275 1.00 0.11 C ATOM 525 O GLN A 205 0.000 7.145 -5.475 1.00 0.13 O ATOM 526 CB GLN A 205 -1.935 4.620 -6.503 1.00 0.17 C ATOM 527 CG GLN A 205 -1.902 3.113 -6.671 1.00 0.65 C ATOM 528 CD GLN A 205 -2.630 2.652 -7.917 1.00 0.76 C ATOM 529 OE1 GLN A 205 -2.688 3.366 -8.917 1.00 1.30 O ATOM 530 NE2 GLN A 205 -3.188 1.454 -7.864 1.00 0.81 N ATOM 0 H GLN A 205 -2.938 4.323 -4.240 1.00 0.10 H new ATOM 0 HA GLN A 205 -0.268 4.659 -5.154 1.00 0.12 H new ATOM 0 HB2 GLN A 205 -2.972 4.954 -6.505 1.00 0.17 H new ATOM 0 HB3 GLN A 205 -1.449 5.083 -7.362 1.00 0.17 H new ATOM 0 HG2 GLN A 205 -0.866 2.778 -6.715 1.00 0.65 H new ATOM 0 HG3 GLN A 205 -2.352 2.643 -5.796 1.00 0.65 H new ATOM 0 HE21 GLN A 205 -3.116 0.895 -7.014 1.00 0.81 H new ATOM 0 HE22 GLN A 205 -3.691 1.089 -8.673 1.00 0.81 H new ATOM 539 N LYS A 206 -2.210 7.330 -5.094 1.00 0.10 N ATOM 540 CA LYS A 206 -2.191 8.781 -5.094 1.00 0.11 C ATOM 541 C LYS A 206 -1.321 9.284 -3.954 1.00 0.09 C ATOM 542 O LYS A 206 -0.481 10.157 -4.140 1.00 0.09 O ATOM 543 CB LYS A 206 -3.610 9.330 -4.968 1.00 0.14 C ATOM 544 CG LYS A 206 -3.681 10.846 -4.986 1.00 0.20 C ATOM 545 CD LYS A 206 -5.119 11.340 -5.016 1.00 0.32 C ATOM 546 CE LYS A 206 -5.882 10.943 -3.763 1.00 0.92 C ATOM 547 NZ LYS A 206 -7.289 11.421 -3.793 1.00 1.53 N ATOM 0 H LYS A 206 -3.132 6.919 -4.946 1.00 0.10 H new ATOM 0 HA LYS A 206 -1.772 9.131 -6.037 1.00 0.11 H new ATOM 0 HB2 LYS A 206 -4.216 8.937 -5.784 1.00 0.14 H new ATOM 0 HB3 LYS A 206 -4.050 8.965 -4.040 1.00 0.14 H new ATOM 0 HG2 LYS A 206 -3.177 11.245 -4.105 1.00 0.20 H new ATOM 0 HG3 LYS A 206 -3.147 11.225 -5.857 1.00 0.20 H new ATOM 0 HD2 LYS A 206 -5.128 12.425 -5.118 1.00 0.32 H new ATOM 0 HD3 LYS A 206 -5.624 10.934 -5.892 1.00 0.32 H new ATOM 0 HE2 LYS A 206 -5.870 9.858 -3.660 1.00 0.92 H new ATOM 0 HE3 LYS A 206 -5.379 11.352 -2.887 1.00 0.92 H new ATOM 0 HZ1 LYS A 206 -7.774 11.129 -2.920 1.00 1.53 H new ATOM 0 HZ2 LYS A 206 -7.302 12.458 -3.866 1.00 1.53 H new ATOM 0 HZ3 LYS A 206 -7.778 11.010 -4.614 1.00 1.53 H new ATOM 561 N GLY A 207 -1.526 8.714 -2.777 1.00 0.10 N ATOM 562 CA GLY A 207 -0.713 9.046 -1.631 1.00 0.10 C ATOM 563 C GLY A 207 0.759 8.797 -1.867 1.00 0.09 C ATOM 564 O GLY A 207 1.591 9.596 -1.463 1.00 0.10 O ATOM 0 H GLY A 207 -2.251 8.019 -2.596 1.00 0.10 H new ATOM 0 HA2 GLY A 207 -0.863 10.095 -1.376 1.00 0.10 H new ATOM 0 HA3 GLY A 207 -1.044 8.459 -0.774 1.00 0.10 H new ATOM 568 N TRP A 208 1.079 7.689 -2.515 1.00 0.08 N ATOM 569 CA TRP A 208 2.455 7.380 -2.888 1.00 0.08 C ATOM 570 C TRP A 208 3.013 8.489 -3.773 1.00 0.09 C ATOM 571 O TRP A 208 4.173 8.890 -3.642 1.00 0.12 O ATOM 572 CB TRP A 208 2.505 6.033 -3.619 1.00 0.09 C ATOM 573 CG TRP A 208 3.879 5.614 -4.045 1.00 0.09 C ATOM 574 CD1 TRP A 208 4.438 5.774 -5.280 1.00 0.10 C ATOM 575 CD2 TRP A 208 4.862 4.954 -3.241 1.00 0.10 C ATOM 576 NE1 TRP A 208 5.710 5.260 -5.290 1.00 0.12 N ATOM 577 CE2 TRP A 208 5.995 4.752 -4.052 1.00 0.12 C ATOM 578 CE3 TRP A 208 4.899 4.519 -1.916 1.00 0.12 C ATOM 579 CZ2 TRP A 208 7.151 4.134 -3.580 1.00 0.15 C ATOM 580 CZ3 TRP A 208 6.045 3.904 -1.448 1.00 0.14 C ATOM 581 CH2 TRP A 208 7.158 3.718 -2.279 1.00 0.16 C ATOM 0 H TRP A 208 0.400 6.982 -2.797 1.00 0.08 H new ATOM 0 HA TRP A 208 3.066 7.312 -1.988 1.00 0.08 H new ATOM 0 HB2 TRP A 208 2.089 5.264 -2.968 1.00 0.09 H new ATOM 0 HB3 TRP A 208 1.865 6.087 -4.499 1.00 0.09 H new ATOM 0 HD1 TRP A 208 3.951 6.237 -6.125 1.00 0.10 H new ATOM 0 HE1 TRP A 208 6.341 5.257 -6.091 1.00 0.12 H new ATOM 0 HE3 TRP A 208 4.047 4.660 -1.267 1.00 0.12 H new ATOM 0 HZ2 TRP A 208 8.010 3.989 -4.219 1.00 0.15 H new ATOM 0 HZ3 TRP A 208 6.083 3.561 -0.425 1.00 0.14 H new ATOM 0 HH2 TRP A 208 8.039 3.236 -1.883 1.00 0.16 H new ATOM 592 N SER A 209 2.162 8.997 -4.653 1.00 0.10 N ATOM 593 CA SER A 209 2.533 10.070 -5.564 1.00 0.12 C ATOM 594 C SER A 209 2.673 11.401 -4.817 1.00 0.13 C ATOM 595 O SER A 209 3.427 12.282 -5.228 1.00 0.17 O ATOM 596 CB SER A 209 1.475 10.188 -6.664 1.00 0.15 C ATOM 597 OG SER A 209 1.234 8.929 -7.279 1.00 1.18 O ATOM 0 H SER A 209 1.198 8.678 -4.755 1.00 0.10 H new ATOM 0 HA SER A 209 3.499 9.834 -6.010 1.00 0.12 H new ATOM 0 HB2 SER A 209 0.547 10.573 -6.241 1.00 0.15 H new ATOM 0 HB3 SER A 209 1.805 10.906 -7.415 1.00 0.15 H new ATOM 0 HG SER A 209 0.750 8.348 -6.656 1.00 1.18 H new ATOM 603 N LEU A 210 1.953 11.528 -3.708 1.00 0.11 N ATOM 604 CA LEU A 210 1.967 12.755 -2.917 1.00 0.11 C ATOM 605 C LEU A 210 3.139 12.761 -1.942 1.00 0.12 C ATOM 606 O LEU A 210 3.721 13.807 -1.650 1.00 0.13 O ATOM 607 CB LEU A 210 0.659 12.901 -2.132 1.00 0.11 C ATOM 608 CG LEU A 210 -0.618 12.950 -2.975 1.00 0.12 C ATOM 609 CD1 LEU A 210 -1.843 13.044 -2.079 1.00 0.12 C ATOM 610 CD2 LEU A 210 -0.576 14.122 -3.945 1.00 0.16 C ATOM 0 H LEU A 210 1.350 10.795 -3.335 1.00 0.11 H new ATOM 0 HA LEU A 210 2.074 13.593 -3.606 1.00 0.11 H new ATOM 0 HB2 LEU A 210 0.580 12.067 -1.434 1.00 0.11 H new ATOM 0 HB3 LEU A 210 0.714 13.812 -1.536 1.00 0.11 H new ATOM 0 HG LEU A 210 -0.683 12.029 -3.554 1.00 0.12 H new ATOM 0 HD11 LEU A 210 -2.742 13.078 -2.694 1.00 0.12 H new ATOM 0 HD12 LEU A 210 -1.883 12.173 -1.425 1.00 0.12 H new ATOM 0 HD13 LEU A 210 -1.783 13.949 -1.474 1.00 0.12 H new ATOM 0 HD21 LEU A 210 -1.492 14.139 -4.535 1.00 0.16 H new ATOM 0 HD22 LEU A 210 -0.486 15.054 -3.386 1.00 0.16 H new ATOM 0 HD23 LEU A 210 0.281 14.014 -4.610 1.00 0.16 H new ATOM 622 N ALA A 211 3.480 11.580 -1.450 1.00 0.12 N ATOM 623 CA ALA A 211 4.514 11.423 -0.440 1.00 0.14 C ATOM 624 C ALA A 211 5.889 11.250 -1.067 1.00 0.24 C ATOM 625 O ALA A 211 6.784 10.658 -0.463 1.00 0.39 O ATOM 626 CB ALA A 211 4.191 10.227 0.444 1.00 0.20 C ATOM 0 H ALA A 211 3.047 10.703 -1.740 1.00 0.12 H new ATOM 0 HA ALA A 211 4.536 12.331 0.163 1.00 0.14 H new ATOM 0 HB1 ALA A 211 4.968 10.113 1.200 1.00 0.20 H new ATOM 0 HB2 ALA A 211 3.230 10.385 0.933 1.00 0.20 H new ATOM 0 HB3 ALA A 211 4.143 9.325 -0.167 1.00 0.20 H new ATOM 707 N THR B 176 -9.719 1.131 6.009 1.00 0.22 N ATOM 708 CA THR B 176 -8.509 0.811 6.735 1.00 0.23 C ATOM 709 C THR B 176 -7.607 -0.085 5.895 1.00 0.19 C ATOM 710 O THR B 176 -8.082 -0.954 5.160 1.00 0.20 O ATOM 711 CB THR B 176 -8.841 0.112 8.068 1.00 0.29 C ATOM 712 OG1 THR B 176 -9.782 0.906 8.802 1.00 0.33 O ATOM 713 CG2 THR B 176 -7.587 -0.100 8.906 1.00 0.36 C ATOM 0 HA THR B 176 -7.986 1.743 6.949 1.00 0.23 H new ATOM 0 HB THR B 176 -9.271 -0.865 7.846 1.00 0.29 H new ATOM 0 HG1 THR B 176 -10.368 1.381 8.176 1.00 0.33 H new ATOM 0 HG21 THR B 176 -7.853 -0.595 9.840 1.00 0.36 H new ATOM 0 HG22 THR B 176 -6.881 -0.721 8.354 1.00 0.36 H new ATOM 0 HG23 THR B 176 -7.128 0.864 9.124 1.00 0.36 H new ATOM 721 N VAL B 177 -6.312 0.126 6.014 1.00 0.16 N ATOM 722 CA VAL B 177 -5.337 -0.621 5.251 1.00 0.14 C ATOM 723 C VAL B 177 -4.577 -1.582 6.157 1.00 0.13 C ATOM 724 O VAL B 177 -4.170 -1.210 7.258 1.00 0.13 O ATOM 725 CB VAL B 177 -4.347 0.341 4.568 1.00 0.14 C ATOM 726 CG1 VAL B 177 -3.219 -0.413 3.896 1.00 0.14 C ATOM 727 CG2 VAL B 177 -5.073 1.209 3.561 1.00 0.18 C ATOM 0 H VAL B 177 -5.907 0.820 6.642 1.00 0.16 H new ATOM 0 HA VAL B 177 -5.862 -1.195 4.488 1.00 0.14 H new ATOM 0 HB VAL B 177 -3.911 0.977 5.338 1.00 0.14 H new ATOM 0 HG11 VAL B 177 -2.538 0.295 3.424 1.00 0.14 H new ATOM 0 HG12 VAL B 177 -2.677 -0.996 4.640 1.00 0.14 H new ATOM 0 HG13 VAL B 177 -3.629 -1.082 3.139 1.00 0.14 H new ATOM 0 HG21 VAL B 177 -4.363 1.885 3.085 1.00 0.18 H new ATOM 0 HG22 VAL B 177 -5.537 0.577 2.804 1.00 0.18 H new ATOM 0 HG23 VAL B 177 -5.842 1.790 4.069 1.00 0.18 H new ATOM 737 N PRO B 178 -4.405 -2.842 5.732 1.00 0.12 N ATOM 738 CA PRO B 178 -3.600 -3.800 6.481 1.00 0.13 C ATOM 739 C PRO B 178 -2.109 -3.512 6.313 1.00 0.12 C ATOM 740 O PRO B 178 -1.443 -4.053 5.432 1.00 0.11 O ATOM 741 CB PRO B 178 -3.972 -5.140 5.842 1.00 0.13 C ATOM 742 CG PRO B 178 -4.375 -4.798 4.449 1.00 0.13 C ATOM 743 CD PRO B 178 -4.990 -3.426 4.517 1.00 0.13 C ATOM 0 HA PRO B 178 -3.786 -3.769 7.554 1.00 0.13 H new ATOM 0 HB2 PRO B 178 -3.129 -5.831 5.852 1.00 0.13 H new ATOM 0 HB3 PRO B 178 -4.786 -5.623 6.382 1.00 0.13 H new ATOM 0 HG2 PRO B 178 -3.514 -4.806 3.781 1.00 0.13 H new ATOM 0 HG3 PRO B 178 -5.087 -5.525 4.060 1.00 0.13 H new ATOM 0 HD2 PRO B 178 -4.750 -2.835 3.633 1.00 0.13 H new ATOM 0 HD3 PRO B 178 -6.077 -3.477 4.581 1.00 0.13 H new ATOM 751 N TRP B 179 -1.598 -2.676 7.197 1.00 0.13 N ATOM 752 CA TRP B 179 -0.215 -2.232 7.127 1.00 0.14 C ATOM 753 C TRP B 179 0.760 -3.333 7.513 1.00 0.13 C ATOM 754 O TRP B 179 1.909 -3.322 7.085 1.00 0.15 O ATOM 755 CB TRP B 179 -0.011 -1.000 8.000 1.00 0.17 C ATOM 756 CG TRP B 179 -0.803 0.176 7.519 1.00 0.15 C ATOM 757 CD1 TRP B 179 -1.877 0.757 8.129 1.00 0.16 C ATOM 758 CD2 TRP B 179 -0.593 0.897 6.304 1.00 0.14 C ATOM 759 NE1 TRP B 179 -2.342 1.800 7.366 1.00 0.15 N ATOM 760 CE2 TRP B 179 -1.567 1.908 6.242 1.00 0.14 C ATOM 761 CE3 TRP B 179 0.330 0.787 5.264 1.00 0.16 C ATOM 762 CZ2 TRP B 179 -1.645 2.801 5.180 1.00 0.16 C ATOM 763 CZ3 TRP B 179 0.254 1.672 4.211 1.00 0.18 C ATOM 764 CH2 TRP B 179 -0.727 2.669 4.175 1.00 0.18 C ATOM 0 H TRP B 179 -2.124 -2.287 7.979 1.00 0.13 H new ATOM 0 HA TRP B 179 -0.006 -1.970 6.090 1.00 0.14 H new ATOM 0 HB2 TRP B 179 -0.297 -1.233 9.026 1.00 0.17 H new ATOM 0 HB3 TRP B 179 1.047 -0.740 8.016 1.00 0.17 H new ATOM 0 HD1 TRP B 179 -2.299 0.443 9.072 1.00 0.16 H new ATOM 0 HE1 TRP B 179 -3.136 2.397 7.599 1.00 0.15 H new ATOM 0 HE3 TRP B 179 1.091 0.021 5.284 1.00 0.16 H new ATOM 0 HZ2 TRP B 179 -2.402 3.570 5.150 1.00 0.16 H new ATOM 0 HZ3 TRP B 179 0.963 1.595 3.400 1.00 0.18 H new ATOM 0 HH2 TRP B 179 -0.760 3.348 3.336 1.00 0.18 H new ATOM 775 N ASP B 180 0.302 -4.291 8.298 1.00 0.13 N ATOM 776 CA ASP B 180 1.165 -5.386 8.721 1.00 0.14 C ATOM 777 C ASP B 180 1.303 -6.409 7.602 1.00 0.11 C ATOM 778 O ASP B 180 2.404 -6.882 7.305 1.00 0.12 O ATOM 779 CB ASP B 180 0.621 -6.055 9.985 1.00 0.19 C ATOM 780 CG ASP B 180 1.502 -7.191 10.464 1.00 1.21 C ATOM 781 OD1 ASP B 180 2.450 -6.931 11.236 1.00 2.10 O ATOM 782 OD2 ASP B 180 1.254 -8.350 10.072 1.00 1.82 O ATOM 0 H ASP B 180 -0.653 -4.336 8.654 1.00 0.13 H new ATOM 0 HA ASP B 180 2.149 -4.976 8.950 1.00 0.14 H new ATOM 0 HB2 ASP B 180 0.531 -5.311 10.776 1.00 0.19 H new ATOM 0 HB3 ASP B 180 -0.382 -6.435 9.789 1.00 0.19 H new ATOM 787 N ASP B 181 0.180 -6.730 6.970 1.00 0.11 N ATOM 788 CA ASP B 181 0.169 -7.666 5.853 1.00 0.12 C ATOM 789 C ASP B 181 0.903 -7.066 4.666 1.00 0.11 C ATOM 790 O ASP B 181 1.639 -7.756 3.957 1.00 0.13 O ATOM 791 CB ASP B 181 -1.266 -8.030 5.456 1.00 0.16 C ATOM 792 CG ASP B 181 -1.998 -8.822 6.523 1.00 0.23 C ATOM 793 OD1 ASP B 181 -2.524 -8.208 7.479 1.00 1.03 O ATOM 794 OD2 ASP B 181 -2.066 -10.065 6.406 1.00 0.81 O ATOM 0 H ASP B 181 -0.737 -6.355 7.213 1.00 0.11 H new ATOM 0 HA ASP B 181 0.677 -8.578 6.165 1.00 0.12 H new ATOM 0 HB2 ASP B 181 -1.821 -7.116 5.246 1.00 0.16 H new ATOM 0 HB3 ASP B 181 -1.245 -8.609 4.533 1.00 0.16 H new ATOM 799 N ILE B 182 0.714 -5.768 4.460 1.00 0.11 N ATOM 800 CA ILE B 182 1.413 -5.067 3.401 1.00 0.14 C ATOM 801 C ILE B 182 2.902 -5.021 3.696 1.00 0.13 C ATOM 802 O ILE B 182 3.713 -5.252 2.806 1.00 0.13 O ATOM 803 CB ILE B 182 0.863 -3.640 3.186 1.00 0.16 C ATOM 804 CG1 ILE B 182 -0.537 -3.707 2.585 1.00 0.17 C ATOM 805 CG2 ILE B 182 1.781 -2.835 2.280 1.00 0.26 C ATOM 806 CD1 ILE B 182 -1.141 -2.354 2.316 1.00 0.20 C ATOM 0 H ILE B 182 0.084 -5.186 5.012 1.00 0.11 H new ATOM 0 HA ILE B 182 1.246 -5.621 2.477 1.00 0.14 H new ATOM 0 HB ILE B 182 0.815 -3.141 4.154 1.00 0.16 H new ATOM 0 HG12 ILE B 182 -0.497 -4.270 1.653 1.00 0.17 H new ATOM 0 HG13 ILE B 182 -1.189 -4.259 3.263 1.00 0.17 H new ATOM 0 HG21 ILE B 182 1.372 -1.834 2.144 1.00 0.26 H new ATOM 0 HG22 ILE B 182 2.770 -2.764 2.734 1.00 0.26 H new ATOM 0 HG23 ILE B 182 1.861 -3.329 1.312 1.00 0.26 H new ATOM 0 HD11 ILE B 182 -2.136 -2.478 1.889 1.00 0.20 H new ATOM 0 HD12 ILE B 182 -1.213 -1.796 3.249 1.00 0.20 H new ATOM 0 HD13 ILE B 182 -0.511 -1.807 1.614 1.00 0.20 H new ATOM 818 N GLU B 183 3.264 -4.747 4.946 1.00 0.13 N ATOM 819 CA GLU B 183 4.665 -4.763 5.351 1.00 0.15 C ATOM 820 C GLU B 183 5.295 -6.116 5.055 1.00 0.13 C ATOM 821 O GLU B 183 6.445 -6.192 4.634 1.00 0.14 O ATOM 822 CB GLU B 183 4.804 -4.444 6.843 1.00 0.18 C ATOM 823 CG GLU B 183 6.244 -4.443 7.336 1.00 0.27 C ATOM 824 CD GLU B 183 6.355 -4.171 8.821 1.00 0.34 C ATOM 825 OE1 GLU B 183 6.149 -5.108 9.624 1.00 1.09 O ATOM 826 OE2 GLU B 183 6.659 -3.019 9.198 1.00 1.07 O ATOM 0 H GLU B 183 2.610 -4.512 5.692 1.00 0.13 H new ATOM 0 HA GLU B 183 5.186 -3.997 4.777 1.00 0.15 H new ATOM 0 HB2 GLU B 183 4.361 -3.468 7.040 1.00 0.18 H new ATOM 0 HB3 GLU B 183 4.233 -5.174 7.417 1.00 0.18 H new ATOM 0 HG2 GLU B 183 6.700 -5.407 7.113 1.00 0.27 H new ATOM 0 HG3 GLU B 183 6.810 -3.688 6.790 1.00 0.27 H new ATOM 833 N ALA B 184 4.534 -7.184 5.261 1.00 0.13 N ATOM 834 CA ALA B 184 5.028 -8.525 4.997 1.00 0.13 C ATOM 835 C ALA B 184 5.215 -8.745 3.501 1.00 0.12 C ATOM 836 O ALA B 184 6.159 -9.410 3.070 1.00 0.13 O ATOM 837 CB ALA B 184 4.076 -9.560 5.571 1.00 0.15 C ATOM 0 H ALA B 184 3.576 -7.146 5.609 1.00 0.13 H new ATOM 0 HA ALA B 184 5.998 -8.636 5.482 1.00 0.13 H new ATOM 0 HB1 ALA B 184 4.459 -10.560 5.366 1.00 0.15 H new ATOM 0 HB2 ALA B 184 3.991 -9.418 6.648 1.00 0.15 H new ATOM 0 HB3 ALA B 184 3.094 -9.446 5.111 1.00 0.15 H new ATOM 843 N LEU B 185 4.329 -8.152 2.712 1.00 0.12 N ATOM 844 CA LEU B 185 4.405 -8.266 1.264 1.00 0.12 C ATOM 845 C LEU B 185 5.615 -7.515 0.738 1.00 0.11 C ATOM 846 O LEU B 185 6.328 -8.003 -0.130 1.00 0.11 O ATOM 847 CB LEU B 185 3.138 -7.725 0.608 1.00 0.14 C ATOM 848 CG LEU B 185 3.194 -7.623 -0.918 1.00 0.15 C ATOM 849 CD1 LEU B 185 3.406 -8.990 -1.550 1.00 0.16 C ATOM 850 CD2 LEU B 185 1.928 -6.983 -1.449 1.00 0.17 C ATOM 0 H LEU B 185 3.550 -7.588 3.051 1.00 0.12 H new ATOM 0 HA LEU B 185 4.502 -9.323 1.014 1.00 0.12 H new ATOM 0 HB2 LEU B 185 2.301 -8.367 0.884 1.00 0.14 H new ATOM 0 HB3 LEU B 185 2.929 -6.736 1.016 1.00 0.14 H new ATOM 0 HG LEU B 185 4.043 -6.994 -1.186 1.00 0.15 H new ATOM 0 HD11 LEU B 185 3.442 -8.888 -2.635 1.00 0.16 H new ATOM 0 HD12 LEU B 185 4.345 -9.414 -1.194 1.00 0.16 H new ATOM 0 HD13 LEU B 185 2.583 -9.650 -1.275 1.00 0.16 H new ATOM 0 HD21 LEU B 185 1.982 -6.917 -2.536 1.00 0.17 H new ATOM 0 HD22 LEU B 185 1.067 -7.588 -1.164 1.00 0.17 H new ATOM 0 HD23 LEU B 185 1.822 -5.983 -1.029 1.00 0.17 H new ATOM 862 N LEU B 186 5.843 -6.327 1.274 1.00 0.10 N ATOM 863 CA LEU B 186 6.976 -5.511 0.874 1.00 0.09 C ATOM 864 C LEU B 186 8.271 -6.089 1.410 1.00 0.09 C ATOM 865 O LEU B 186 9.330 -5.912 0.821 1.00 0.08 O ATOM 866 CB LEU B 186 6.803 -4.068 1.348 1.00 0.10 C ATOM 867 CG LEU B 186 5.998 -3.162 0.409 1.00 0.10 C ATOM 868 CD1 LEU B 186 6.652 -3.114 -0.959 1.00 0.09 C ATOM 869 CD2 LEU B 186 4.561 -3.638 0.287 1.00 0.14 C ATOM 0 H LEU B 186 5.254 -5.905 1.992 1.00 0.10 H new ATOM 0 HA LEU B 186 7.021 -5.512 -0.215 1.00 0.09 H new ATOM 0 HB2 LEU B 186 6.315 -4.079 2.322 1.00 0.10 H new ATOM 0 HB3 LEU B 186 7.790 -3.629 1.491 1.00 0.10 H new ATOM 0 HG LEU B 186 5.987 -2.158 0.834 1.00 0.10 H new ATOM 0 HD11 LEU B 186 6.072 -2.468 -1.617 1.00 0.09 H new ATOM 0 HD12 LEU B 186 7.664 -2.721 -0.865 1.00 0.09 H new ATOM 0 HD13 LEU B 186 6.691 -4.119 -1.379 1.00 0.09 H new ATOM 0 HD21 LEU B 186 4.014 -2.976 -0.385 1.00 0.14 H new ATOM 0 HD22 LEU B 186 4.546 -4.653 -0.111 1.00 0.14 H new ATOM 0 HD23 LEU B 186 4.089 -3.627 1.270 1.00 0.14 H new ATOM 881 N LYS B 187 8.177 -6.788 2.526 1.00 0.11 N ATOM 882 CA LYS B 187 9.322 -7.480 3.086 1.00 0.12 C ATOM 883 C LYS B 187 9.742 -8.594 2.143 1.00 0.13 C ATOM 884 O LYS B 187 10.922 -8.781 1.865 1.00 0.14 O ATOM 885 CB LYS B 187 8.985 -8.051 4.460 1.00 0.15 C ATOM 886 CG LYS B 187 10.171 -8.694 5.155 1.00 0.22 C ATOM 887 CD LYS B 187 9.775 -9.313 6.486 1.00 0.29 C ATOM 888 CE LYS B 187 8.768 -10.437 6.300 1.00 0.78 C ATOM 889 NZ LYS B 187 8.416 -11.089 7.588 1.00 1.62 N ATOM 0 H LYS B 187 7.316 -6.891 3.064 1.00 0.11 H new ATOM 0 HA LYS B 187 10.144 -6.774 3.205 1.00 0.12 H new ATOM 0 HB2 LYS B 187 8.593 -7.253 5.090 1.00 0.15 H new ATOM 0 HB3 LYS B 187 8.192 -8.791 4.353 1.00 0.15 H new ATOM 0 HG2 LYS B 187 10.599 -9.461 4.510 1.00 0.22 H new ATOM 0 HG3 LYS B 187 10.947 -7.946 5.318 1.00 0.22 H new ATOM 0 HD2 LYS B 187 10.663 -9.698 6.988 1.00 0.29 H new ATOM 0 HD3 LYS B 187 9.350 -8.546 7.133 1.00 0.29 H new ATOM 0 HE2 LYS B 187 7.865 -10.041 5.836 1.00 0.78 H new ATOM 0 HE3 LYS B 187 9.178 -11.181 5.617 1.00 0.78 H new ATOM 0 HZ1 LYS B 187 7.727 -11.849 7.416 1.00 1.62 H new ATOM 0 HZ2 LYS B 187 9.273 -11.490 8.020 1.00 1.62 H new ATOM 0 HZ3 LYS B 187 8.001 -10.385 8.231 1.00 1.62 H new ATOM 903 N ASN B 188 8.753 -9.325 1.652 1.00 0.15 N ATOM 904 CA ASN B 188 8.973 -10.362 0.656 1.00 0.19 C ATOM 905 C ASN B 188 9.437 -9.755 -0.665 1.00 0.18 C ATOM 906 O ASN B 188 10.284 -10.311 -1.357 1.00 0.24 O ATOM 907 CB ASN B 188 7.672 -11.146 0.453 1.00 0.24 C ATOM 908 CG ASN B 188 7.740 -12.120 -0.704 1.00 0.75 C ATOM 909 OD1 ASN B 188 8.183 -13.256 -0.549 1.00 0.74 O ATOM 910 ND2 ASN B 188 7.282 -11.687 -1.868 1.00 1.37 N ATOM 0 H ASN B 188 7.778 -9.217 1.932 1.00 0.15 H new ATOM 0 HA ASN B 188 9.755 -11.035 1.008 1.00 0.19 H new ATOM 0 HB2 ASN B 188 7.438 -11.692 1.367 1.00 0.24 H new ATOM 0 HB3 ASN B 188 6.855 -10.445 0.282 1.00 0.24 H new ATOM 0 HD21 ASN B 188 7.288 -12.304 -2.680 1.00 1.37 H new ATOM 0 HD22 ASN B 188 6.923 -10.736 -1.953 1.00 1.37 H new ATOM 917 N ASN B 189 8.876 -8.603 -0.995 1.00 0.13 N ATOM 918 CA ASN B 189 9.182 -7.906 -2.239 1.00 0.14 C ATOM 919 C ASN B 189 10.616 -7.393 -2.227 1.00 0.13 C ATOM 920 O ASN B 189 11.294 -7.370 -3.252 1.00 0.16 O ATOM 921 CB ASN B 189 8.212 -6.737 -2.415 1.00 0.13 C ATOM 922 CG ASN B 189 8.247 -6.136 -3.806 1.00 0.18 C ATOM 923 OD1 ASN B 189 9.012 -5.214 -4.084 1.00 0.20 O ATOM 924 ND2 ASN B 189 7.400 -6.643 -4.684 1.00 0.22 N ATOM 0 H ASN B 189 8.194 -8.122 -0.408 1.00 0.13 H new ATOM 0 HA ASN B 189 9.073 -8.602 -3.071 1.00 0.14 H new ATOM 0 HB2 ASN B 189 7.199 -7.078 -2.199 1.00 0.13 H new ATOM 0 HB3 ASN B 189 8.450 -5.963 -1.686 1.00 0.13 H new ATOM 0 HD21 ASN B 189 7.364 -6.270 -5.632 1.00 0.22 H new ATOM 0 HD22 ASN B 189 6.782 -7.408 -4.413 1.00 0.22 H new ATOM 931 N PHE B 190 11.069 -7.008 -1.048 1.00 0.10 N ATOM 932 CA PHE B 190 12.390 -6.438 -0.867 1.00 0.10 C ATOM 933 C PHE B 190 13.247 -7.335 0.017 1.00 0.11 C ATOM 934 O PHE B 190 13.951 -6.831 0.886 1.00 0.12 O ATOM 935 CB PHE B 190 12.308 -5.031 -0.274 1.00 0.09 C ATOM 936 CG PHE B 190 11.795 -3.993 -1.234 1.00 0.10 C ATOM 937 CD1 PHE B 190 12.604 -3.524 -2.257 1.00 1.18 C ATOM 938 CD2 PHE B 190 10.512 -3.481 -1.114 1.00 1.17 C ATOM 939 CE1 PHE B 190 12.147 -2.568 -3.141 1.00 1.18 C ATOM 940 CE2 PHE B 190 10.049 -2.522 -1.998 1.00 1.18 C ATOM 941 CZ PHE B 190 10.868 -2.066 -3.011 1.00 0.14 C ATOM 0 H PHE B 190 10.528 -7.082 -0.186 1.00 0.10 H new ATOM 0 HA PHE B 190 12.858 -6.366 -1.849 1.00 0.10 H new ATOM 0 HB2 PHE B 190 11.659 -5.054 0.602 1.00 0.09 H new ATOM 0 HB3 PHE B 190 13.299 -4.735 0.071 1.00 0.09 H new ATOM 0 HD1 PHE B 190 13.606 -3.912 -2.364 1.00 1.18 H new ATOM 0 HD2 PHE B 190 9.867 -3.834 -0.323 1.00 1.17 H new ATOM 0 HE1 PHE B 190 12.789 -2.213 -3.933 1.00 1.18 H new ATOM 0 HE2 PHE B 190 9.048 -2.131 -1.895 1.00 1.18 H new ATOM 0 HZ PHE B 190 10.508 -1.317 -3.701 1.00 0.14 H new ATOM 951 N GLU B 191 12.994 -8.651 -0.092 1.00 0.14 N ATOM 952 CA GLU B 191 13.847 -9.764 0.429 1.00 0.20 C ATOM 953 C GLU B 191 15.384 -9.550 0.349 1.00 0.21 C ATOM 954 O GLU B 191 16.134 -10.474 0.022 1.00 0.21 O ATOM 955 CB GLU B 191 13.487 -11.053 -0.312 1.00 0.29 C ATOM 956 CG GLU B 191 13.500 -10.908 -1.827 1.00 0.37 C ATOM 957 CD GLU B 191 13.323 -12.229 -2.545 1.00 0.84 C ATOM 958 OE1 GLU B 191 12.167 -12.636 -2.788 1.00 1.73 O ATOM 959 OE2 GLU B 191 14.343 -12.870 -2.877 1.00 1.40 O ATOM 0 H GLU B 191 12.158 -8.996 -0.563 1.00 0.14 H new ATOM 0 HA GLU B 191 13.626 -9.811 1.495 1.00 0.20 H new ATOM 0 HB2 GLU B 191 14.189 -11.836 -0.024 1.00 0.29 H new ATOM 0 HB3 GLU B 191 12.497 -11.380 0.005 1.00 0.29 H new ATOM 0 HG2 GLU B 191 12.705 -10.226 -2.129 1.00 0.37 H new ATOM 0 HG3 GLU B 191 14.442 -10.455 -2.136 1.00 0.37 H new ATOM 966 N ASN B 192 15.824 -8.354 0.659 1.00 0.31 N ATOM 967 CA ASN B 192 17.224 -7.965 0.616 1.00 0.44 C ATOM 968 C ASN B 192 17.377 -6.564 1.185 1.00 0.57 C ATOM 969 O ASN B 192 18.261 -6.292 1.995 1.00 1.08 O ATOM 970 CB ASN B 192 17.751 -8.008 -0.821 1.00 0.47 C ATOM 971 CG ASN B 192 19.210 -7.606 -0.923 1.00 0.62 C ATOM 972 OD1 ASN B 192 20.108 -8.440 -0.796 1.00 0.68 O ATOM 973 ND2 ASN B 192 19.459 -6.330 -1.174 1.00 1.16 N ATOM 0 H ASN B 192 15.206 -7.600 0.957 1.00 0.31 H new ATOM 0 HA ASN B 192 17.805 -8.667 1.215 1.00 0.44 H new ATOM 0 HB2 ASN B 192 17.628 -9.015 -1.219 1.00 0.47 H new ATOM 0 HB3 ASN B 192 17.151 -7.344 -1.443 1.00 0.47 H new ATOM 0 HD21 ASN B 192 20.422 -6.007 -1.269 1.00 1.16 H new ATOM 0 HD22 ASN B 192 18.688 -5.670 -1.272 1.00 1.16 H new ATOM 980 N ASP B 193 16.485 -5.682 0.766 1.00 0.21 N ATOM 981 CA ASP B 193 16.521 -4.294 1.191 1.00 0.24 C ATOM 982 C ASP B 193 15.410 -4.016 2.195 1.00 0.20 C ATOM 983 O ASP B 193 14.342 -3.512 1.842 1.00 0.17 O ATOM 984 CB ASP B 193 16.383 -3.365 -0.017 1.00 0.33 C ATOM 985 CG ASP B 193 17.524 -3.508 -1.005 1.00 0.84 C ATOM 986 OD1 ASP B 193 17.528 -4.493 -1.776 1.00 1.78 O ATOM 987 OD2 ASP B 193 18.414 -2.630 -1.033 1.00 1.27 O ATOM 0 H ASP B 193 15.722 -5.906 0.127 1.00 0.21 H new ATOM 0 HA ASP B 193 17.481 -4.105 1.672 1.00 0.24 H new ATOM 0 HB2 ASP B 193 15.441 -3.575 -0.524 1.00 0.33 H new ATOM 0 HB3 ASP B 193 16.336 -2.332 0.329 1.00 0.33 H new ATOM 992 N GLN B 194 15.664 -4.343 3.452 1.00 0.22 N ATOM 993 CA GLN B 194 14.697 -4.104 4.513 1.00 0.21 C ATOM 994 C GLN B 194 14.520 -2.608 4.715 1.00 0.21 C ATOM 995 O GLN B 194 13.437 -2.132 5.050 1.00 0.25 O ATOM 996 CB GLN B 194 15.150 -4.765 5.812 1.00 0.26 C ATOM 997 CG GLN B 194 15.376 -6.264 5.692 1.00 0.26 C ATOM 998 CD GLN B 194 14.142 -7.014 5.224 1.00 0.25 C ATOM 999 OE1 GLN B 194 13.307 -7.423 6.030 1.00 0.44 O ATOM 1000 NE2 GLN B 194 14.021 -7.214 3.919 1.00 0.35 N ATOM 0 H GLN B 194 16.534 -4.776 3.764 1.00 0.22 H new ATOM 0 HA GLN B 194 13.741 -4.542 4.225 1.00 0.21 H new ATOM 0 HB2 GLN B 194 16.074 -4.293 6.146 1.00 0.26 H new ATOM 0 HB3 GLN B 194 14.402 -4.580 6.583 1.00 0.26 H new ATOM 0 HG2 GLN B 194 16.193 -6.448 4.994 1.00 0.26 H new ATOM 0 HG3 GLN B 194 15.689 -6.657 6.659 1.00 0.26 H new ATOM 0 HE21 GLN B 194 14.733 -6.860 3.281 1.00 0.35 H new ATOM 0 HE22 GLN B 194 13.215 -7.722 3.553 1.00 0.35 H new ATOM 1009 N ALA B 195 15.607 -1.880 4.508 1.00 0.25 N ATOM 1010 CA ALA B 195 15.577 -0.422 4.499 1.00 0.25 C ATOM 1011 C ALA B 195 14.571 0.091 3.474 1.00 0.20 C ATOM 1012 O ALA B 195 13.914 1.113 3.681 1.00 0.19 O ATOM 1013 CB ALA B 195 16.958 0.132 4.201 1.00 0.33 C ATOM 0 H ALA B 195 16.531 -2.279 4.342 1.00 0.25 H new ATOM 0 HA ALA B 195 15.267 -0.080 5.486 1.00 0.25 H new ATOM 0 HB1 ALA B 195 16.920 1.221 4.198 1.00 0.33 H new ATOM 0 HB2 ALA B 195 17.658 -0.204 4.966 1.00 0.33 H new ATOM 0 HB3 ALA B 195 17.289 -0.223 3.225 1.00 0.33 H new ATOM 1019 N ALA B 196 14.426 -0.648 2.385 1.00 0.18 N ATOM 1020 CA ALA B 196 13.491 -0.278 1.342 1.00 0.15 C ATOM 1021 C ALA B 196 12.086 -0.599 1.796 1.00 0.11 C ATOM 1022 O ALA B 196 11.165 0.170 1.560 1.00 0.09 O ATOM 1023 CB ALA B 196 13.813 -0.995 0.045 1.00 0.18 C ATOM 0 H ALA B 196 14.945 -1.507 2.203 1.00 0.18 H new ATOM 0 HA ALA B 196 13.573 0.793 1.154 1.00 0.15 H new ATOM 0 HB1 ALA B 196 13.096 -0.700 -0.722 1.00 0.18 H new ATOM 0 HB2 ALA B 196 14.820 -0.729 -0.278 1.00 0.18 H new ATOM 0 HB3 ALA B 196 13.755 -2.072 0.201 1.00 0.18 H new ATOM 1029 N VAL B 197 11.936 -1.736 2.471 1.00 0.11 N ATOM 1030 CA VAL B 197 10.658 -2.112 3.068 1.00 0.10 C ATOM 1031 C VAL B 197 10.155 -0.994 3.973 1.00 0.11 C ATOM 1032 O VAL B 197 8.992 -0.598 3.910 1.00 0.11 O ATOM 1033 CB VAL B 197 10.777 -3.406 3.902 1.00 0.12 C ATOM 1034 CG1 VAL B 197 9.427 -3.804 4.484 1.00 0.14 C ATOM 1035 CG2 VAL B 197 11.353 -4.536 3.068 1.00 0.11 C ATOM 0 H VAL B 197 12.684 -2.413 2.618 1.00 0.11 H new ATOM 0 HA VAL B 197 9.957 -2.285 2.251 1.00 0.10 H new ATOM 0 HB VAL B 197 11.460 -3.210 4.729 1.00 0.12 H new ATOM 0 HG11 VAL B 197 9.537 -4.718 5.067 1.00 0.14 H new ATOM 0 HG12 VAL B 197 9.059 -3.005 5.128 1.00 0.14 H new ATOM 0 HG13 VAL B 197 8.717 -3.974 3.674 1.00 0.14 H new ATOM 0 HG21 VAL B 197 11.427 -5.437 3.677 1.00 0.11 H new ATOM 0 HG22 VAL B 197 10.702 -4.727 2.215 1.00 0.11 H new ATOM 0 HG23 VAL B 197 12.344 -4.256 2.712 1.00 0.11 H new ATOM 1045 N ARG B 198 11.054 -0.471 4.794 1.00 0.12 N ATOM 1046 CA ARG B 198 10.714 0.602 5.715 1.00 0.14 C ATOM 1047 C ARG B 198 10.258 1.835 4.953 1.00 0.13 C ATOM 1048 O ARG B 198 9.180 2.367 5.206 1.00 0.14 O ATOM 1049 CB ARG B 198 11.914 0.960 6.594 1.00 0.19 C ATOM 1050 CG ARG B 198 12.413 -0.187 7.451 1.00 0.24 C ATOM 1051 CD ARG B 198 13.582 0.244 8.320 1.00 0.35 C ATOM 1052 NE ARG B 198 13.205 1.271 9.294 1.00 1.12 N ATOM 1053 CZ ARG B 198 14.079 2.002 9.986 1.00 1.48 C ATOM 1054 NH1 ARG B 198 15.383 1.850 9.790 1.00 1.02 N ATOM 1055 NH2 ARG B 198 13.648 2.890 10.871 1.00 2.36 N ATOM 0 H ARG B 198 12.027 -0.774 4.841 1.00 0.12 H new ATOM 0 HA ARG B 198 9.900 0.253 6.350 1.00 0.14 H new ATOM 0 HB2 ARG B 198 12.728 1.305 5.957 1.00 0.19 H new ATOM 0 HB3 ARG B 198 11.641 1.793 7.242 1.00 0.19 H new ATOM 0 HG2 ARG B 198 11.603 -0.552 8.082 1.00 0.24 H new ATOM 0 HG3 ARG B 198 12.718 -1.016 6.812 1.00 0.24 H new ATOM 0 HD2 ARG B 198 13.979 -0.624 8.847 1.00 0.35 H new ATOM 0 HD3 ARG B 198 14.382 0.625 7.685 1.00 0.35 H new ATOM 0 HE ARG B 198 12.211 1.437 9.453 1.00 1.12 H new ATOM 0 HH11 ARG B 198 15.720 1.171 9.107 1.00 1.02 H new ATOM 0 HH12 ARG B 198 16.048 2.412 10.322 1.00 1.02 H new ATOM 0 HH21 ARG B 198 12.647 3.014 11.023 1.00 2.36 H new ATOM 0 HH22 ARG B 198 14.317 3.449 11.400 1.00 2.36 H new ATOM 1069 N GLN B 199 11.075 2.262 3.998 1.00 0.13 N ATOM 1070 CA GLN B 199 10.813 3.489 3.255 1.00 0.13 C ATOM 1071 C GLN B 199 9.530 3.405 2.435 1.00 0.12 C ATOM 1072 O GLN B 199 8.786 4.382 2.335 1.00 0.12 O ATOM 1073 CB GLN B 199 11.993 3.811 2.347 1.00 0.14 C ATOM 1074 CG GLN B 199 13.276 4.095 3.105 1.00 0.17 C ATOM 1075 CD GLN B 199 14.443 4.392 2.188 1.00 0.23 C ATOM 1076 OE1 GLN B 199 14.686 5.543 1.823 1.00 0.29 O ATOM 1077 NE2 GLN B 199 15.180 3.358 1.817 1.00 0.25 N ATOM 0 H GLN B 199 11.927 1.775 3.719 1.00 0.13 H new ATOM 0 HA GLN B 199 10.681 4.289 3.984 1.00 0.13 H new ATOM 0 HB2 GLN B 199 12.158 2.975 1.668 1.00 0.14 H new ATOM 0 HB3 GLN B 199 11.744 4.676 1.732 1.00 0.14 H new ATOM 0 HG2 GLN B 199 13.119 4.942 3.772 1.00 0.17 H new ATOM 0 HG3 GLN B 199 13.521 3.237 3.731 1.00 0.17 H new ATOM 0 HE21 GLN B 199 14.944 2.421 2.142 1.00 0.25 H new ATOM 0 HE22 GLN B 199 15.984 3.498 1.206 1.00 0.25 H new ATOM 1086 N VAL B 200 9.248 2.237 1.872 1.00 0.12 N ATOM 1087 CA VAL B 200 8.069 2.089 1.036 1.00 0.12 C ATOM 1088 C VAL B 200 6.822 2.056 1.902 1.00 0.12 C ATOM 1089 O VAL B 200 5.802 2.644 1.555 1.00 0.12 O ATOM 1090 CB VAL B 200 8.108 0.832 0.131 1.00 0.14 C ATOM 1091 CG1 VAL B 200 9.299 0.877 -0.806 1.00 0.16 C ATOM 1092 CG2 VAL B 200 8.132 -0.445 0.951 1.00 0.15 C ATOM 0 H VAL B 200 9.810 1.393 1.977 1.00 0.12 H new ATOM 0 HA VAL B 200 8.051 2.953 0.372 1.00 0.12 H new ATOM 0 HB VAL B 200 7.195 0.832 -0.464 1.00 0.14 H new ATOM 0 HG11 VAL B 200 9.304 -0.016 -1.431 1.00 0.16 H new ATOM 0 HG12 VAL B 200 9.231 1.762 -1.439 1.00 0.16 H new ATOM 0 HG13 VAL B 200 10.219 0.918 -0.223 1.00 0.16 H new ATOM 0 HG21 VAL B 200 8.159 -1.306 0.283 1.00 0.15 H new ATOM 0 HG22 VAL B 200 9.017 -0.452 1.588 1.00 0.15 H new ATOM 0 HG23 VAL B 200 7.238 -0.496 1.572 1.00 0.15 H new ATOM 1102 N MET B 201 6.919 1.400 3.053 1.00 0.13 N ATOM 1103 CA MET B 201 5.793 1.306 3.968 1.00 0.15 C ATOM 1104 C MET B 201 5.468 2.661 4.567 1.00 0.12 C ATOM 1105 O MET B 201 4.303 3.010 4.734 1.00 0.14 O ATOM 1106 CB MET B 201 6.077 0.301 5.084 1.00 0.20 C ATOM 1107 CG MET B 201 6.048 -1.145 4.622 1.00 1.01 C ATOM 1108 SD MET B 201 4.487 -1.586 3.838 1.00 1.58 S ATOM 1109 CE MET B 201 3.325 -1.225 5.152 1.00 1.20 C ATOM 0 H MET B 201 7.765 0.927 3.372 1.00 0.13 H new ATOM 0 HA MET B 201 4.932 0.959 3.396 1.00 0.15 H new ATOM 0 HB2 MET B 201 7.055 0.516 5.515 1.00 0.20 H new ATOM 0 HB3 MET B 201 5.342 0.435 5.878 1.00 0.20 H new ATOM 0 HG2 MET B 201 6.864 -1.316 3.920 1.00 1.01 H new ATOM 0 HG3 MET B 201 6.220 -1.800 5.476 1.00 1.01 H new ATOM 0 HE1 MET B 201 2.406 -1.787 4.989 1.00 1.20 H new ATOM 0 HE2 MET B 201 3.760 -1.509 6.110 1.00 1.20 H new ATOM 0 HE3 MET B 201 3.102 -0.158 5.157 1.00 1.20 H new ATOM 1119 N GLU B 202 6.498 3.438 4.861 1.00 0.11 N ATOM 1120 CA GLU B 202 6.309 4.733 5.490 1.00 0.11 C ATOM 1121 C GLU B 202 5.847 5.766 4.476 1.00 0.10 C ATOM 1122 O GLU B 202 5.165 6.727 4.827 1.00 0.10 O ATOM 1123 CB GLU B 202 7.591 5.192 6.174 1.00 0.12 C ATOM 1124 CG GLU B 202 7.955 4.339 7.373 1.00 0.14 C ATOM 1125 CD GLU B 202 9.183 4.838 8.096 1.00 0.19 C ATOM 1126 OE1 GLU B 202 9.089 5.876 8.782 1.00 1.00 O ATOM 1127 OE2 GLU B 202 10.245 4.190 7.984 1.00 1.06 O ATOM 0 H GLU B 202 7.471 3.194 4.674 1.00 0.11 H new ATOM 0 HA GLU B 202 5.533 4.629 6.248 1.00 0.11 H new ATOM 0 HB2 GLU B 202 8.410 5.168 5.455 1.00 0.12 H new ATOM 0 HB3 GLU B 202 7.477 6.228 6.492 1.00 0.12 H new ATOM 0 HG2 GLU B 202 7.114 4.318 8.067 1.00 0.14 H new ATOM 0 HG3 GLU B 202 8.124 3.313 7.045 1.00 0.14 H new ATOM 1134 N ARG B 203 6.186 5.554 3.213 1.00 0.09 N ATOM 1135 CA ARG B 203 5.737 6.452 2.164 1.00 0.09 C ATOM 1136 C ARG B 203 4.289 6.133 1.808 1.00 0.08 C ATOM 1137 O ARG B 203 3.506 7.025 1.497 1.00 0.09 O ATOM 1138 CB ARG B 203 6.643 6.357 0.935 1.00 0.10 C ATOM 1139 CG ARG B 203 6.206 7.246 -0.218 1.00 0.21 C ATOM 1140 CD ARG B 203 7.227 7.239 -1.343 1.00 0.15 C ATOM 1141 NE ARG B 203 6.711 7.856 -2.566 1.00 0.47 N ATOM 1142 CZ ARG B 203 7.377 7.893 -3.719 1.00 0.40 C ATOM 1143 NH1 ARG B 203 8.581 7.341 -3.815 1.00 0.60 N ATOM 1144 NH2 ARG B 203 6.825 8.455 -4.786 1.00 0.79 N ATOM 0 H ARG B 203 6.764 4.777 2.894 1.00 0.09 H new ATOM 0 HA ARG B 203 5.793 7.478 2.527 1.00 0.09 H new ATOM 0 HB2 ARG B 203 7.660 6.624 1.223 1.00 0.10 H new ATOM 0 HB3 ARG B 203 6.670 5.322 0.594 1.00 0.10 H new ATOM 0 HG2 ARG B 203 5.243 6.905 -0.597 1.00 0.21 H new ATOM 0 HG3 ARG B 203 6.065 8.266 0.140 1.00 0.21 H new ATOM 0 HD2 ARG B 203 8.123 7.770 -1.021 1.00 0.15 H new ATOM 0 HD3 ARG B 203 7.524 6.212 -1.554 1.00 0.15 H new ATOM 0 HE ARG B 203 5.785 8.283 -2.533 1.00 0.47 H new ATOM 0 HH11 ARG B 203 9.000 6.886 -3.004 1.00 0.60 H new ATOM 0 HH12 ARG B 203 9.087 7.372 -4.700 1.00 0.60 H new ATOM 0 HH21 ARG B 203 5.890 8.859 -4.724 1.00 0.79 H new ATOM 0 HH22 ARG B 203 7.335 8.483 -5.669 1.00 0.79 H new ATOM 1158 N LEU B 204 3.944 4.851 1.858 1.00 0.08 N ATOM 1159 CA LEU B 204 2.559 4.417 1.703 1.00 0.08 C ATOM 1160 C LEU B 204 1.682 4.943 2.837 1.00 0.08 C ATOM 1161 O LEU B 204 0.568 5.393 2.600 1.00 0.08 O ATOM 1162 CB LEU B 204 2.475 2.891 1.655 1.00 0.08 C ATOM 1163 CG LEU B 204 2.989 2.239 0.371 1.00 0.08 C ATOM 1164 CD1 LEU B 204 3.107 0.734 0.549 1.00 0.09 C ATOM 1165 CD2 LEU B 204 2.064 2.562 -0.791 1.00 0.09 C ATOM 0 H LEU B 204 4.607 4.090 2.005 1.00 0.08 H new ATOM 0 HA LEU B 204 2.191 4.827 0.762 1.00 0.08 H new ATOM 0 HB2 LEU B 204 3.039 2.488 2.496 1.00 0.08 H new ATOM 0 HB3 LEU B 204 1.435 2.598 1.798 1.00 0.08 H new ATOM 0 HG LEU B 204 3.979 2.640 0.151 1.00 0.08 H new ATOM 0 HD11 LEU B 204 3.474 0.286 -0.374 1.00 0.09 H new ATOM 0 HD12 LEU B 204 3.803 0.517 1.359 1.00 0.09 H new ATOM 0 HD13 LEU B 204 2.129 0.318 0.790 1.00 0.09 H new ATOM 0 HD21 LEU B 204 2.442 2.091 -1.699 1.00 0.09 H new ATOM 0 HD22 LEU B 204 1.064 2.185 -0.576 1.00 0.09 H new ATOM 0 HD23 LEU B 204 2.021 3.642 -0.933 1.00 0.09 H new ATOM 1177 N GLN B 205 2.191 4.885 4.064 1.00 0.10 N ATOM 1178 CA GLN B 205 1.433 5.341 5.230 1.00 0.12 C ATOM 1179 C GLN B 205 1.261 6.853 5.214 1.00 0.11 C ATOM 1180 O GLN B 205 0.153 7.369 5.392 1.00 0.13 O ATOM 1181 CB GLN B 205 2.120 4.918 6.527 1.00 0.17 C ATOM 1182 CG GLN B 205 2.102 3.420 6.764 1.00 0.65 C ATOM 1183 CD GLN B 205 2.836 3.020 8.027 1.00 0.76 C ATOM 1184 OE1 GLN B 205 2.887 3.777 8.996 1.00 1.30 O ATOM 1185 NE2 GLN B 205 3.410 1.828 8.026 1.00 0.81 N ATOM 0 H GLN B 205 3.122 4.528 4.279 1.00 0.10 H new ATOM 0 HA GLN B 205 0.449 4.875 5.182 1.00 0.12 H new ATOM 0 HB2 GLN B 205 3.154 5.262 6.509 1.00 0.17 H new ATOM 0 HB3 GLN B 205 1.633 5.416 7.365 1.00 0.17 H new ATOM 0 HG2 GLN B 205 1.069 3.078 6.825 1.00 0.65 H new ATOM 0 HG3 GLN B 205 2.555 2.916 5.910 1.00 0.65 H new ATOM 0 HE21 GLN B 205 3.344 1.231 7.202 1.00 0.81 H new ATOM 0 HE22 GLN B 205 3.918 1.506 8.850 1.00 0.81 H new ATOM 1194 N LYS B 206 2.359 7.562 4.996 1.00 0.10 N ATOM 1195 CA LYS B 206 2.327 9.010 4.931 1.00 0.11 C ATOM 1196 C LYS B 206 1.452 9.452 3.770 1.00 0.09 C ATOM 1197 O LYS B 206 0.602 10.324 3.917 1.00 0.09 O ATOM 1198 CB LYS B 206 3.740 9.568 4.780 1.00 0.14 C ATOM 1199 CG LYS B 206 3.795 11.085 4.728 1.00 0.20 C ATOM 1200 CD LYS B 206 5.227 11.594 4.734 1.00 0.32 C ATOM 1201 CE LYS B 206 5.990 11.148 3.498 1.00 0.93 C ATOM 1202 NZ LYS B 206 7.389 11.646 3.500 1.00 1.52 N ATOM 0 H LYS B 206 3.284 7.154 4.861 1.00 0.10 H new ATOM 0 HA LYS B 206 1.906 9.398 5.858 1.00 0.11 H new ATOM 0 HB2 LYS B 206 4.350 9.220 5.614 1.00 0.14 H new ATOM 0 HB3 LYS B 206 4.185 9.166 3.870 1.00 0.14 H new ATOM 0 HG2 LYS B 206 3.287 11.437 3.830 1.00 0.20 H new ATOM 0 HG3 LYS B 206 3.258 11.499 5.582 1.00 0.20 H new ATOM 0 HD2 LYS B 206 5.225 12.683 4.787 1.00 0.32 H new ATOM 0 HD3 LYS B 206 5.738 11.232 5.626 1.00 0.32 H new ATOM 0 HE2 LYS B 206 5.993 10.059 3.446 1.00 0.93 H new ATOM 0 HE3 LYS B 206 5.478 11.508 2.606 1.00 0.93 H new ATOM 0 HZ1 LYS B 206 7.875 11.320 2.640 1.00 1.52 H new ATOM 0 HZ2 LYS B 206 7.387 12.686 3.523 1.00 1.52 H new ATOM 0 HZ3 LYS B 206 7.886 11.282 4.338 1.00 1.52 H new ATOM 1216 N GLY B 207 1.663 8.831 2.620 1.00 0.10 N ATOM 1217 CA GLY B 207 0.845 9.102 1.461 1.00 0.10 C ATOM 1218 C GLY B 207 -0.625 8.849 1.710 1.00 0.08 C ATOM 1219 O GLY B 207 -1.465 9.620 1.270 1.00 0.09 O ATOM 0 H GLY B 207 2.395 8.137 2.470 1.00 0.10 H new ATOM 0 HA2 GLY B 207 0.984 10.140 1.158 1.00 0.10 H new ATOM 0 HA3 GLY B 207 1.181 8.480 0.631 1.00 0.10 H new ATOM 1223 N TRP B 208 -0.933 7.769 2.410 1.00 0.08 N ATOM 1224 CA TRP B 208 -2.307 7.464 2.799 1.00 0.08 C ATOM 1225 C TRP B 208 -2.877 8.608 3.631 1.00 0.09 C ATOM 1226 O TRP B 208 -4.041 8.988 3.482 1.00 0.11 O ATOM 1227 CB TRP B 208 -2.341 6.153 3.592 1.00 0.09 C ATOM 1228 CG TRP B 208 -3.711 5.740 4.039 1.00 0.08 C ATOM 1229 CD1 TRP B 208 -4.271 5.949 5.266 1.00 0.09 C ATOM 1230 CD2 TRP B 208 -4.689 5.036 3.267 1.00 0.10 C ATOM 1231 NE1 TRP B 208 -5.539 5.425 5.299 1.00 0.12 N ATOM 1232 CE2 TRP B 208 -5.819 4.859 4.087 1.00 0.12 C ATOM 1233 CE3 TRP B 208 -4.721 4.541 1.962 1.00 0.12 C ATOM 1234 CZ2 TRP B 208 -6.968 4.208 3.645 1.00 0.15 C ATOM 1235 CZ3 TRP B 208 -5.862 3.894 1.524 1.00 0.14 C ATOM 1236 CH2 TRP B 208 -6.971 3.734 2.363 1.00 0.16 C ATOM 0 H TRP B 208 -0.247 7.083 2.724 1.00 0.08 H new ATOM 0 HA TRP B 208 -2.919 7.348 1.905 1.00 0.08 H new ATOM 0 HB2 TRP B 208 -1.917 5.359 2.978 1.00 0.09 H new ATOM 0 HB3 TRP B 208 -1.701 6.255 4.468 1.00 0.09 H new ATOM 0 HD1 TRP B 208 -3.787 6.453 6.090 1.00 0.09 H new ATOM 0 HE1 TRP B 208 -6.171 5.453 6.099 1.00 0.12 H new ATOM 0 HE3 TRP B 208 -3.871 4.661 1.307 1.00 0.12 H new ATOM 0 HZ2 TRP B 208 -7.824 4.082 4.291 1.00 0.15 H new ATOM 0 HZ3 TRP B 208 -5.898 3.505 0.517 1.00 0.14 H new ATOM 0 HH2 TRP B 208 -7.847 3.225 1.989 1.00 0.16 H new ATOM 1247 N SER B 209 -2.030 9.165 4.486 1.00 0.10 N ATOM 1248 CA SER B 209 -2.409 10.274 5.348 1.00 0.12 C ATOM 1249 C SER B 209 -2.557 11.571 4.543 1.00 0.12 C ATOM 1250 O SER B 209 -3.312 12.468 4.920 1.00 0.16 O ATOM 1251 CB SER B 209 -1.353 10.450 6.443 1.00 0.15 C ATOM 1252 OG SER B 209 -1.099 9.217 7.106 1.00 1.18 O ATOM 0 H SER B 209 -1.063 8.861 4.601 1.00 0.10 H new ATOM 0 HA SER B 209 -3.374 10.050 5.803 1.00 0.12 H new ATOM 0 HB2 SER B 209 -0.429 10.829 6.006 1.00 0.15 H new ATOM 0 HB3 SER B 209 -1.692 11.193 7.165 1.00 0.15 H new ATOM 0 HG SER B 209 -0.609 8.618 6.505 1.00 1.18 H new ATOM 1258 N LEU B 210 -1.847 11.648 3.423 1.00 0.10 N ATOM 1259 CA LEU B 210 -1.870 12.837 2.575 1.00 0.11 C ATOM 1260 C LEU B 210 -3.042 12.786 1.601 1.00 0.11 C ATOM 1261 O LEU B 210 -3.626 13.810 1.255 1.00 0.12 O ATOM 1262 CB LEU B 210 -0.564 12.958 1.783 1.00 0.10 C ATOM 1263 CG LEU B 210 0.712 13.063 2.621 1.00 0.11 C ATOM 1264 CD1 LEU B 210 1.935 13.128 1.720 1.00 0.11 C ATOM 1265 CD2 LEU B 210 0.656 14.277 3.535 1.00 0.15 C ATOM 0 H LEU B 210 -1.246 10.899 3.079 1.00 0.10 H new ATOM 0 HA LEU B 210 -1.982 13.705 3.225 1.00 0.11 H new ATOM 0 HB2 LEU B 210 -0.476 12.091 1.128 1.00 0.10 H new ATOM 0 HB3 LEU B 210 -0.629 13.837 1.142 1.00 0.10 H new ATOM 0 HG LEU B 210 0.789 12.171 3.243 1.00 0.11 H new ATOM 0 HD11 LEU B 210 2.834 13.202 2.332 1.00 0.11 H new ATOM 0 HD12 LEU B 210 1.985 12.227 1.109 1.00 0.11 H new ATOM 0 HD13 LEU B 210 1.864 14.002 1.072 1.00 0.11 H new ATOM 0 HD21 LEU B 210 1.573 14.333 4.122 1.00 0.15 H new ATOM 0 HD22 LEU B 210 0.554 15.181 2.934 1.00 0.15 H new ATOM 0 HD23 LEU B 210 -0.199 14.189 4.205 1.00 0.15 H new ATOM 1277 N ALA B 211 -3.374 11.582 1.169 1.00 0.11 N ATOM 1278 CA ALA B 211 -4.406 11.370 0.169 1.00 0.14 C ATOM 1279 C ALA B 211 -5.781 11.219 0.802 1.00 0.23 C ATOM 1280 O ALA B 211 -6.673 10.606 0.219 1.00 0.37 O ATOM 1281 CB ALA B 211 -4.074 10.138 -0.659 1.00 0.20 C ATOM 0 H ALA B 211 -2.936 10.723 1.502 1.00 0.11 H new ATOM 0 HA ALA B 211 -4.435 12.248 -0.476 1.00 0.14 H new ATOM 0 HB1 ALA B 211 -4.851 9.983 -1.408 1.00 0.20 H new ATOM 0 HB2 ALA B 211 -3.114 10.281 -1.156 1.00 0.20 H new ATOM 0 HB3 ALA B 211 -4.019 9.266 -0.008 1.00 0.20 H new ATOM 1287 N LYS B 212 -5.947 11.755 2.000 1.00 0.28 N ATOM 1288 CA LYS B 212 -7.233 11.725 2.671 1.00 0.43 C ATOM 1289 C LYS B 212 -8.144 12.806 2.105 1.00 0.71 C ATOM 1290 O LYS B 212 -7.928 13.994 2.422 1.00 1.30 O ATOM 1291 CB LYS B 212 -7.039 11.922 4.175 1.00 0.42 C ATOM 1292 CG LYS B 212 -8.323 11.813 4.981 1.00 1.07 C ATOM 1293 CD LYS B 212 -8.068 11.972 6.472 1.00 1.04 C ATOM 1294 CE LYS B 212 -7.519 13.350 6.807 1.00 1.86 C ATOM 1295 NZ LYS B 212 -7.224 13.491 8.255 1.00 2.34 N ATOM 1296 OXT LYS B 212 -9.063 12.469 1.332 1.00 1.13 O ATOM 0 H LYS B 212 -5.205 12.216 2.527 1.00 0.28 H new ATOM 0 HA LYS B 212 -7.701 10.755 2.502 1.00 0.43 H new ATOM 0 HB2 LYS B 212 -6.328 11.180 4.540 1.00 0.42 H new ATOM 0 HB3 LYS B 212 -6.595 12.902 4.349 1.00 0.42 H new ATOM 0 HG2 LYS B 212 -9.027 12.576 4.649 1.00 1.07 H new ATOM 0 HG3 LYS B 212 -8.789 10.846 4.793 1.00 1.07 H new ATOM 0 HD2 LYS B 212 -8.996 11.808 7.019 1.00 1.04 H new ATOM 0 HD3 LYS B 212 -7.363 11.209 6.804 1.00 1.04 H new ATOM 0 HE2 LYS B 212 -6.610 13.528 6.232 1.00 1.86 H new ATOM 0 HE3 LYS B 212 -8.240 14.111 6.508 1.00 1.86 H new ATOM 0 HZ1 LYS B 212 -6.852 14.444 8.442 1.00 2.34 H new ATOM 0 HZ2 LYS B 212 -8.096 13.346 8.803 1.00 2.34 H new ATOM 0 HZ3 LYS B 212 -6.517 12.782 8.536 1.00 2.34 H new