USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 459 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 146 TYR OH : rot -68:sc= 0.544 USER MOD Single : A 151 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0673) USER MOD Single : A 167 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.9!) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot -135:sc= -2.15! USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 MET CE :methyl -179:sc= -1.47 (180deg=-1.5) USER MOD Single : A 196 SER OG : rot 180:sc= 0 USER MOD Single : A 201 ASN :FLIP amide:sc= -1.47 F(o=-5.3,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.452 -3.351 -7.049 1.00 0.00 N ATOM 41 CA TYR A 146 4.108 -3.426 -6.408 1.00 0.00 C ATOM 42 C TYR A 146 3.313 -2.157 -6.723 1.00 0.00 C ATOM 43 O TYR A 146 3.855 -1.066 -6.759 1.00 0.00 O ATOM 44 CB TYR A 146 4.272 -3.551 -4.891 1.00 0.00 C ATOM 45 CG TYR A 146 4.959 -4.849 -4.555 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.499 -6.049 -5.114 1.00 0.00 C ATOM 47 CD2 TYR A 146 6.048 -4.857 -3.674 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.129 -7.257 -4.792 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.677 -6.065 -3.352 1.00 0.00 C ATOM 50 CZ TYR A 146 6.217 -7.266 -3.910 1.00 0.00 C ATOM 51 OH TYR A 146 6.839 -8.457 -3.592 1.00 0.00 O ATOM 0 HA TYR A 146 3.575 -4.295 -6.795 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.854 -2.712 -4.509 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.297 -3.510 -4.406 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.659 -6.042 -5.793 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.402 -3.932 -3.244 1.00 0.00 H new ATOM 0 HE1 TYR A 146 4.776 -8.182 -5.224 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.517 -6.072 -2.673 1.00 0.00 H new ATOM 0 HH TYR A 146 6.229 -9.014 -3.065 1.00 0.00 H new ATOM 61 N ARG A 147 2.028 -2.285 -6.939 1.00 0.00 N ATOM 62 CA ARG A 147 1.194 -1.083 -7.246 1.00 0.00 C ATOM 63 C ARG A 147 0.813 -0.360 -5.949 1.00 0.00 C ATOM 64 O ARG A 147 -0.280 0.154 -5.807 1.00 0.00 O ATOM 65 CB ARG A 147 -0.071 -1.516 -7.991 1.00 0.00 C ATOM 66 CG ARG A 147 -1.049 -2.134 -6.999 1.00 0.00 C ATOM 67 CD ARG A 147 -1.527 -3.489 -7.522 1.00 0.00 C ATOM 68 NE ARG A 147 -2.728 -3.294 -8.380 1.00 0.00 N ATOM 69 CZ ARG A 147 -3.412 -4.328 -8.791 1.00 0.00 C ATOM 70 NH1 ARG A 147 -2.870 -5.180 -9.618 1.00 0.00 N ATOM 71 NH2 ARG A 147 -4.634 -4.509 -8.374 1.00 0.00 N ATOM 0 H ARG A 147 1.521 -3.170 -6.916 1.00 0.00 H new ATOM 0 HA ARG A 147 1.768 -0.400 -7.873 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.528 -0.659 -8.485 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.180 -2.236 -8.770 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.568 -2.257 -6.028 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -1.900 -1.470 -6.851 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -0.733 -3.971 -8.093 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -1.766 -4.149 -6.688 1.00 0.00 H new ATOM 0 HE ARG A 147 -3.017 -2.353 -8.647 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -1.913 -5.038 -9.942 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -3.403 -5.988 -9.940 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -5.056 -3.843 -7.727 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -5.168 -5.317 -8.695 1.00 0.00 H new ATOM 85 N GLY A 148 1.712 -0.313 -5.010 1.00 0.00 N ATOM 86 CA GLY A 148 1.435 0.376 -3.723 1.00 0.00 C ATOM 87 C GLY A 148 2.745 0.480 -2.940 1.00 0.00 C ATOM 88 O GLY A 148 2.754 0.530 -1.726 1.00 0.00 O ATOM 0 H GLY A 148 2.641 -0.729 -5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 148 1.022 1.368 -3.905 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.693 -0.178 -3.148 1.00 0.00 H new ATOM 92 N VAL A 149 3.856 0.499 -3.630 1.00 0.00 N ATOM 93 CA VAL A 149 5.166 0.584 -2.928 1.00 0.00 C ATOM 94 C VAL A 149 6.124 1.467 -3.730 1.00 0.00 C ATOM 95 O VAL A 149 6.475 1.161 -4.852 1.00 0.00 O ATOM 96 CB VAL A 149 5.752 -0.823 -2.805 1.00 0.00 C ATOM 97 CG1 VAL A 149 7.079 -0.765 -2.052 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.772 -1.718 -2.044 1.00 0.00 C ATOM 0 H VAL A 149 3.910 0.459 -4.648 1.00 0.00 H new ATOM 0 HA VAL A 149 5.026 1.017 -1.938 1.00 0.00 H new ATOM 0 HB VAL A 149 5.921 -1.231 -3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 149 7.493 -1.770 -1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.778 -0.129 -2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.914 -0.355 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 149 5.189 -2.721 -1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 149 4.601 -1.307 -1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.827 -1.764 -2.584 1.00 0.00 H new ATOM 108 N ARG A 150 6.556 2.558 -3.160 1.00 0.00 N ATOM 109 CA ARG A 150 7.497 3.456 -3.887 1.00 0.00 C ATOM 110 C ARG A 150 8.914 3.235 -3.355 1.00 0.00 C ATOM 111 O ARG A 150 9.325 3.837 -2.382 1.00 0.00 O ATOM 112 CB ARG A 150 7.084 4.913 -3.667 1.00 0.00 C ATOM 113 CG ARG A 150 6.625 5.519 -4.994 1.00 0.00 C ATOM 114 CD ARG A 150 5.097 5.482 -5.073 1.00 0.00 C ATOM 115 NE ARG A 150 4.633 6.374 -6.173 1.00 0.00 N ATOM 116 CZ ARG A 150 4.124 5.862 -7.260 1.00 0.00 C ATOM 117 NH1 ARG A 150 2.867 5.514 -7.292 1.00 0.00 N ATOM 118 NH2 ARG A 150 4.873 5.697 -8.315 1.00 0.00 N ATOM 0 H ARG A 150 6.298 2.866 -2.223 1.00 0.00 H new ATOM 0 HA ARG A 150 7.470 3.233 -4.954 1.00 0.00 H new ATOM 0 HB2 ARG A 150 6.280 4.967 -2.933 1.00 0.00 H new ATOM 0 HB3 ARG A 150 7.922 5.483 -3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 150 6.979 6.546 -5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 150 7.056 4.964 -5.827 1.00 0.00 H new ATOM 0 HD2 ARG A 150 4.756 4.462 -5.250 1.00 0.00 H new ATOM 0 HD3 ARG A 150 4.666 5.802 -4.125 1.00 0.00 H new ATOM 0 HE ARG A 150 4.713 7.386 -6.076 1.00 0.00 H new ATOM 0 HH11 ARG A 150 2.281 5.642 -6.467 1.00 0.00 H new ATOM 0 HH12 ARG A 150 2.470 5.114 -8.142 1.00 0.00 H new ATOM 0 HH21 ARG A 150 5.856 5.968 -8.290 1.00 0.00 H new ATOM 0 HH22 ARG A 150 4.476 5.297 -9.165 1.00 0.00 H new ATOM 132 N GLN A 151 9.662 2.369 -3.981 1.00 0.00 N ATOM 133 CA GLN A 151 11.051 2.102 -3.511 1.00 0.00 C ATOM 134 C GLN A 151 11.875 3.389 -3.576 1.00 0.00 C ATOM 135 O GLN A 151 11.706 4.203 -4.463 1.00 0.00 O ATOM 136 CB GLN A 151 11.697 1.041 -4.403 1.00 0.00 C ATOM 137 CG GLN A 151 11.869 1.600 -5.816 1.00 0.00 C ATOM 138 CD GLN A 151 11.971 0.445 -6.812 1.00 0.00 C ATOM 139 OE1 GLN A 151 11.125 0.291 -7.670 1.00 0.00 O ATOM 140 NE2 GLN A 151 12.978 -0.380 -6.733 1.00 0.00 N ATOM 0 H GLN A 151 9.371 1.834 -4.799 1.00 0.00 H new ATOM 0 HA GLN A 151 11.019 1.745 -2.482 1.00 0.00 H new ATOM 0 HB2 GLN A 151 12.665 0.748 -3.996 1.00 0.00 H new ATOM 0 HB3 GLN A 151 11.077 0.145 -4.428 1.00 0.00 H new ATOM 0 HG2 GLN A 151 11.024 2.240 -6.071 1.00 0.00 H new ATOM 0 HG3 GLN A 151 12.765 2.219 -5.867 1.00 0.00 H new ATOM 0 HE21 GLN A 151 13.688 -0.250 -6.012 1.00 0.00 H new ATOM 0 HE22 GLN A 151 13.055 -1.155 -7.392 1.00 0.00 H new ATOM 149 N ARG A 152 12.768 3.577 -2.643 1.00 0.00 N ATOM 150 CA ARG A 152 13.607 4.809 -2.645 1.00 0.00 C ATOM 151 C ARG A 152 15.015 4.463 -3.146 1.00 0.00 C ATOM 152 O ARG A 152 15.337 3.306 -3.330 1.00 0.00 O ATOM 153 CB ARG A 152 13.686 5.372 -1.225 1.00 0.00 C ATOM 154 CG ARG A 152 12.791 6.609 -1.119 1.00 0.00 C ATOM 155 CD ARG A 152 12.575 6.960 0.354 1.00 0.00 C ATOM 156 NE ARG A 152 12.459 8.438 0.500 1.00 0.00 N ATOM 157 CZ ARG A 152 13.392 9.215 0.018 1.00 0.00 C ATOM 158 NH1 ARG A 152 14.628 8.799 -0.026 1.00 0.00 N ATOM 159 NH2 ARG A 152 13.086 10.406 -0.420 1.00 0.00 N ATOM 0 H ARG A 152 12.953 2.929 -1.878 1.00 0.00 H new ATOM 0 HA ARG A 152 13.163 5.556 -3.303 1.00 0.00 H new ATOM 0 HB2 ARG A 152 13.370 4.618 -0.505 1.00 0.00 H new ATOM 0 HB3 ARG A 152 14.716 5.633 -0.982 1.00 0.00 H new ATOM 0 HG2 ARG A 152 13.251 7.449 -1.640 1.00 0.00 H new ATOM 0 HG3 ARG A 152 11.833 6.420 -1.603 1.00 0.00 H new ATOM 0 HD2 ARG A 152 11.672 6.475 0.726 1.00 0.00 H new ATOM 0 HD3 ARG A 152 13.406 6.589 0.953 1.00 0.00 H new ATOM 0 HE ARG A 152 11.652 8.843 0.976 1.00 0.00 H new ATOM 0 HH11 ARG A 152 14.865 7.868 0.316 1.00 0.00 H new ATOM 0 HH12 ARG A 152 15.357 9.405 -0.402 1.00 0.00 H new ATOM 0 HH21 ARG A 152 12.119 10.729 -0.386 1.00 0.00 H new ATOM 0 HH22 ARG A 152 13.814 11.013 -0.797 1.00 0.00 H new ATOM 173 N PRO A 153 15.810 5.481 -3.360 1.00 0.00 N ATOM 174 CA PRO A 153 17.191 5.319 -3.850 1.00 0.00 C ATOM 175 C PRO A 153 18.124 4.862 -2.725 1.00 0.00 C ATOM 176 O PRO A 153 19.082 4.151 -2.953 1.00 0.00 O ATOM 177 CB PRO A 153 17.567 6.722 -4.333 1.00 0.00 C ATOM 178 CG PRO A 153 16.630 7.705 -3.593 1.00 0.00 C ATOM 179 CD PRO A 153 15.410 6.885 -3.131 1.00 0.00 C ATOM 0 HA PRO A 153 17.276 4.563 -4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 153 18.612 6.941 -4.113 1.00 0.00 H new ATOM 0 HB3 PRO A 153 17.444 6.807 -5.413 1.00 0.00 H new ATOM 0 HG2 PRO A 153 17.138 8.158 -2.741 1.00 0.00 H new ATOM 0 HG3 PRO A 153 16.324 8.518 -4.251 1.00 0.00 H new ATOM 0 HD2 PRO A 153 15.182 7.068 -2.081 1.00 0.00 H new ATOM 0 HD3 PRO A 153 14.518 7.143 -3.701 1.00 0.00 H new ATOM 187 N TRP A 154 17.856 5.265 -1.512 1.00 0.00 N ATOM 188 CA TRP A 154 18.737 4.850 -0.383 1.00 0.00 C ATOM 189 C TRP A 154 18.335 3.452 0.092 1.00 0.00 C ATOM 190 O TRP A 154 19.008 2.478 -0.179 1.00 0.00 O ATOM 191 CB TRP A 154 18.594 5.845 0.772 1.00 0.00 C ATOM 192 CG TRP A 154 19.718 6.830 0.720 1.00 0.00 C ATOM 193 CD1 TRP A 154 19.770 7.904 -0.100 1.00 0.00 C ATOM 194 CD2 TRP A 154 20.948 6.851 1.502 1.00 0.00 C ATOM 195 NE1 TRP A 154 20.953 8.585 0.130 1.00 0.00 N ATOM 196 CE2 TRP A 154 21.712 7.975 1.108 1.00 0.00 C ATOM 197 CE3 TRP A 154 21.469 6.011 2.505 1.00 0.00 C ATOM 198 CZ2 TRP A 154 22.951 8.256 1.689 1.00 0.00 C ATOM 199 CZ3 TRP A 154 22.715 6.292 3.092 1.00 0.00 C ATOM 200 CH2 TRP A 154 23.454 7.411 2.685 1.00 0.00 C ATOM 0 H TRP A 154 17.069 5.861 -1.255 1.00 0.00 H new ATOM 0 HA TRP A 154 19.774 4.834 -0.720 1.00 0.00 H new ATOM 0 HB2 TRP A 154 17.638 6.364 0.704 1.00 0.00 H new ATOM 0 HB3 TRP A 154 18.603 5.316 1.725 1.00 0.00 H new ATOM 0 HD1 TRP A 154 19.013 8.185 -0.817 1.00 0.00 H new ATOM 0 HE1 TRP A 154 21.230 9.434 -0.363 1.00 0.00 H new ATOM 0 HE3 TRP A 154 20.908 5.146 2.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 23.517 9.119 1.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 23.105 5.642 3.861 1.00 0.00 H new ATOM 0 HH2 TRP A 154 24.411 7.621 3.140 1.00 0.00 H new ATOM 211 N GLY A 155 17.243 3.346 0.798 1.00 0.00 N ATOM 212 CA GLY A 155 16.802 2.009 1.285 1.00 0.00 C ATOM 213 C GLY A 155 15.475 2.148 2.033 1.00 0.00 C ATOM 214 O GLY A 155 15.417 2.024 3.240 1.00 0.00 O ATOM 0 H GLY A 155 16.639 4.125 1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 155 16.687 1.324 0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.559 1.582 1.943 1.00 0.00 H new ATOM 218 N LYS A 156 14.407 2.401 1.327 1.00 0.00 N ATOM 219 CA LYS A 156 13.087 2.545 2.002 1.00 0.00 C ATOM 220 C LYS A 156 11.969 2.189 1.022 1.00 0.00 C ATOM 221 O LYS A 156 12.186 2.062 -0.166 1.00 0.00 O ATOM 222 CB LYS A 156 12.905 3.989 2.475 1.00 0.00 C ATOM 223 CG LYS A 156 13.936 4.311 3.559 1.00 0.00 C ATOM 224 CD LYS A 156 13.655 5.702 4.132 1.00 0.00 C ATOM 225 CE LYS A 156 14.862 6.180 4.942 1.00 0.00 C ATOM 226 NZ LYS A 156 14.400 7.076 6.040 1.00 0.00 N ATOM 0 H LYS A 156 14.392 2.514 0.313 1.00 0.00 H new ATOM 0 HA LYS A 156 13.048 1.874 2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 156 13.020 4.674 1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 156 11.897 4.130 2.865 1.00 0.00 H new ATOM 0 HG2 LYS A 156 13.892 3.564 4.351 1.00 0.00 H new ATOM 0 HG3 LYS A 156 14.942 4.274 3.142 1.00 0.00 H new ATOM 0 HD2 LYS A 156 13.446 6.403 3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 156 12.768 5.673 4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 156 15.397 5.325 5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 156 15.561 6.710 4.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 15.220 7.401 6.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 13.908 7.897 5.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 13.749 6.555 6.662 1.00 0.00 H new ATOM 240 N PHE A 157 10.770 2.030 1.510 1.00 0.00 N ATOM 241 CA PHE A 157 9.633 1.689 0.610 1.00 0.00 C ATOM 242 C PHE A 157 8.346 2.257 1.208 1.00 0.00 C ATOM 243 O PHE A 157 7.973 1.938 2.320 1.00 0.00 O ATOM 244 CB PHE A 157 9.516 0.169 0.480 1.00 0.00 C ATOM 245 CG PHE A 157 10.684 -0.356 -0.316 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.933 -0.518 0.297 1.00 0.00 C ATOM 247 CD2 PHE A 157 10.522 -0.679 -1.669 1.00 0.00 C ATOM 248 CE1 PHE A 157 13.018 -1.004 -0.443 1.00 0.00 C ATOM 249 CE2 PHE A 157 11.606 -1.166 -2.409 1.00 0.00 C ATOM 250 CZ PHE A 157 12.856 -1.328 -1.795 1.00 0.00 C ATOM 0 H PHE A 157 10.528 2.122 2.497 1.00 0.00 H new ATOM 0 HA PHE A 157 9.801 2.116 -0.379 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.498 -0.291 1.468 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.579 -0.094 -0.011 1.00 0.00 H new ATOM 0 HD1 PHE A 157 12.059 -0.268 1.340 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.559 -0.552 -2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.981 -1.129 0.030 1.00 0.00 H new ATOM 0 HE2 PHE A 157 11.480 -1.417 -3.452 1.00 0.00 H new ATOM 0 HZ PHE A 157 13.693 -1.703 -2.365 1.00 0.00 H new ATOM 260 N ALA A 158 7.673 3.111 0.491 1.00 0.00 N ATOM 261 CA ALA A 158 6.425 3.716 1.036 1.00 0.00 C ATOM 262 C ALA A 158 5.199 2.916 0.597 1.00 0.00 C ATOM 263 O ALA A 158 4.899 2.813 -0.576 1.00 0.00 O ATOM 264 CB ALA A 158 6.291 5.148 0.522 1.00 0.00 C ATOM 0 H ALA A 158 7.931 3.417 -0.447 1.00 0.00 H new ATOM 0 HA ALA A 158 6.483 3.707 2.124 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.379 5.593 0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.151 5.733 0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.247 5.141 -0.567 1.00 0.00 H new ATOM 270 N ALA A 159 4.469 2.377 1.534 1.00 0.00 N ATOM 271 CA ALA A 159 3.242 1.618 1.175 1.00 0.00 C ATOM 272 C ALA A 159 2.091 2.616 1.060 1.00 0.00 C ATOM 273 O ALA A 159 1.806 3.352 1.985 1.00 0.00 O ATOM 274 CB ALA A 159 2.928 0.592 2.266 1.00 0.00 C ATOM 0 H ALA A 159 4.671 2.430 2.532 1.00 0.00 H new ATOM 0 HA ALA A 159 3.385 1.089 0.233 1.00 0.00 H new ATOM 0 HB1 ALA A 159 2.028 0.039 1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.764 -0.101 2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.769 1.106 3.214 1.00 0.00 H new ATOM 280 N GLU A 160 1.441 2.672 -0.070 1.00 0.00 N ATOM 281 CA GLU A 160 0.330 3.649 -0.231 1.00 0.00 C ATOM 282 C GLU A 160 -0.852 2.999 -0.952 1.00 0.00 C ATOM 283 O GLU A 160 -0.690 2.107 -1.761 1.00 0.00 O ATOM 284 CB GLU A 160 0.828 4.841 -1.051 1.00 0.00 C ATOM 285 CG GLU A 160 -0.047 6.062 -0.771 1.00 0.00 C ATOM 286 CD GLU A 160 0.208 7.126 -1.840 1.00 0.00 C ATOM 287 OE1 GLU A 160 1.170 7.862 -1.697 1.00 0.00 O ATOM 288 OE2 GLU A 160 -0.559 7.184 -2.786 1.00 0.00 O ATOM 0 H GLU A 160 1.630 2.087 -0.884 1.00 0.00 H new ATOM 0 HA GLU A 160 0.002 3.980 0.754 1.00 0.00 H new ATOM 0 HB2 GLU A 160 1.866 5.060 -0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 160 0.802 4.600 -2.114 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -1.099 5.777 -0.770 1.00 0.00 H new ATOM 0 HG3 GLU A 160 0.175 6.463 0.218 1.00 0.00 H new ATOM 295 N ILE A 161 -2.041 3.456 -0.666 1.00 0.00 N ATOM 296 CA ILE A 161 -3.249 2.894 -1.332 1.00 0.00 C ATOM 297 C ILE A 161 -4.164 4.050 -1.738 1.00 0.00 C ATOM 298 O ILE A 161 -4.359 4.988 -0.989 1.00 0.00 O ATOM 299 CB ILE A 161 -3.993 1.971 -0.363 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.379 1.652 -0.932 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.147 2.667 0.990 1.00 0.00 C ATOM 302 CD1 ILE A 161 -6.060 0.593 -0.063 1.00 0.00 C ATOM 0 H ILE A 161 -2.228 4.200 0.006 1.00 0.00 H new ATOM 0 HA ILE A 161 -2.954 2.321 -2.211 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.428 1.048 -0.233 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.987 2.556 -0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -5.288 1.292 -1.957 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.677 2.009 1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.162 2.898 1.394 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -4.713 3.590 0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -7.046 0.368 -0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.455 -0.314 -0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.165 0.970 0.954 1.00 0.00 H new ATOM 314 N ARG A 162 -4.721 4.000 -2.914 1.00 0.00 N ATOM 315 CA ARG A 162 -5.615 5.107 -3.354 1.00 0.00 C ATOM 316 C ARG A 162 -7.041 4.846 -2.869 1.00 0.00 C ATOM 317 O ARG A 162 -7.603 3.794 -3.096 1.00 0.00 O ATOM 318 CB ARG A 162 -5.604 5.201 -4.881 1.00 0.00 C ATOM 319 CG ARG A 162 -5.935 6.634 -5.302 1.00 0.00 C ATOM 320 CD ARG A 162 -5.558 6.834 -6.769 1.00 0.00 C ATOM 321 NE ARG A 162 -6.574 7.702 -7.428 1.00 0.00 N ATOM 322 CZ ARG A 162 -6.718 7.668 -8.724 1.00 0.00 C ATOM 323 NH1 ARG A 162 -7.332 6.662 -9.286 1.00 0.00 N ATOM 324 NH2 ARG A 162 -6.250 8.638 -9.458 1.00 0.00 N ATOM 0 H ARG A 162 -4.597 3.244 -3.588 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.257 6.045 -2.930 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -4.626 4.913 -5.267 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -6.331 4.508 -5.305 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -6.998 6.830 -5.159 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -5.393 7.343 -4.676 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -4.571 7.290 -6.843 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -5.503 5.871 -7.276 1.00 0.00 H new ATOM 0 HE ARG A 162 -7.157 8.323 -6.866 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -7.699 5.903 -8.712 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -7.445 6.635 -10.299 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -5.771 9.424 -9.019 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -6.363 8.611 -10.471 1.00 0.00 H new ATOM 338 N ASP A 163 -7.629 5.801 -2.203 1.00 0.00 N ATOM 339 CA ASP A 163 -9.019 5.619 -1.701 1.00 0.00 C ATOM 340 C ASP A 163 -9.891 6.769 -2.219 1.00 0.00 C ATOM 341 O ASP A 163 -9.788 7.881 -1.740 1.00 0.00 O ATOM 342 CB ASP A 163 -9.008 5.634 -0.171 1.00 0.00 C ATOM 343 CG ASP A 163 -10.409 5.319 0.355 1.00 0.00 C ATOM 344 OD1 ASP A 163 -11.282 5.058 -0.457 1.00 0.00 O ATOM 345 OD2 ASP A 163 -10.586 5.342 1.563 1.00 0.00 O ATOM 0 H ASP A 163 -7.205 6.702 -1.984 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.420 4.668 -2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -8.294 4.901 0.205 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.683 6.610 0.191 1.00 0.00 H new ATOM 350 N PRO A 164 -10.723 6.472 -3.188 1.00 0.00 N ATOM 351 CA PRO A 164 -11.621 7.471 -3.793 1.00 0.00 C ATOM 352 C PRO A 164 -12.814 7.749 -2.874 1.00 0.00 C ATOM 353 O PRO A 164 -13.403 8.812 -2.911 1.00 0.00 O ATOM 354 CB PRO A 164 -12.069 6.809 -5.098 1.00 0.00 C ATOM 355 CG PRO A 164 -11.870 5.288 -4.908 1.00 0.00 C ATOM 356 CD PRO A 164 -10.850 5.117 -3.765 1.00 0.00 C ATOM 0 HA PRO A 164 -11.141 8.436 -3.957 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -13.112 7.040 -5.312 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -11.482 7.175 -5.940 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -12.814 4.802 -4.661 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -11.504 4.827 -5.826 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -11.200 4.399 -3.023 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -9.893 4.751 -4.137 1.00 0.00 H new ATOM 364 N ALA A 165 -13.174 6.806 -2.049 1.00 0.00 N ATOM 365 CA ALA A 165 -14.324 7.020 -1.132 1.00 0.00 C ATOM 366 C ALA A 165 -13.964 8.103 -0.113 1.00 0.00 C ATOM 367 O ALA A 165 -14.810 8.605 0.600 1.00 0.00 O ATOM 368 CB ALA A 165 -14.646 5.716 -0.399 1.00 0.00 C ATOM 0 H ALA A 165 -12.720 5.896 -1.971 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.195 7.334 -1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.489 5.875 0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.901 4.944 -1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.777 5.399 0.178 1.00 0.00 H new ATOM 374 N LYS A 166 -12.712 8.468 -0.041 1.00 0.00 N ATOM 375 CA LYS A 166 -12.297 9.518 0.932 1.00 0.00 C ATOM 376 C LYS A 166 -12.175 10.861 0.208 1.00 0.00 C ATOM 377 O LYS A 166 -11.174 11.542 0.308 1.00 0.00 O ATOM 378 CB LYS A 166 -10.943 9.144 1.541 1.00 0.00 C ATOM 379 CG LYS A 166 -11.101 7.896 2.411 1.00 0.00 C ATOM 380 CD LYS A 166 -11.737 8.282 3.747 1.00 0.00 C ATOM 381 CE LYS A 166 -10.641 8.672 4.741 1.00 0.00 C ATOM 382 NZ LYS A 166 -10.700 10.139 4.998 1.00 0.00 N ATOM 0 H LYS A 166 -11.960 8.085 -0.613 1.00 0.00 H new ATOM 0 HA LYS A 166 -13.042 9.596 1.724 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -10.216 8.959 0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -10.561 9.971 2.139 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -11.722 7.160 1.900 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -10.129 7.432 2.579 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -12.428 9.114 3.606 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -12.318 7.448 4.139 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -10.770 8.123 5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -9.663 8.401 4.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -9.750 10.488 5.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -11.045 10.627 4.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -11.346 10.327 5.791 1.00 0.00 H new ATOM 396 N ASN A 167 -13.186 11.246 -0.522 1.00 0.00 N ATOM 397 CA ASN A 167 -13.125 12.542 -1.252 1.00 0.00 C ATOM 398 C ASN A 167 -11.895 12.556 -2.160 1.00 0.00 C ATOM 399 O ASN A 167 -11.371 13.599 -2.500 1.00 0.00 O ATOM 400 CB ASN A 167 -13.028 13.691 -0.245 1.00 0.00 C ATOM 401 CG ASN A 167 -14.432 14.077 0.224 1.00 0.00 C ATOM 402 OD1 ASN A 167 -15.401 13.429 -0.121 1.00 0.00 O ATOM 403 ND2 ASN A 167 -14.586 15.114 1.002 1.00 0.00 N ATOM 0 H ASN A 167 -14.051 10.719 -0.644 1.00 0.00 H new ATOM 0 HA ASN A 167 -14.025 12.663 -1.855 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -12.418 13.392 0.607 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -12.537 14.550 -0.703 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -15.518 15.379 1.319 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -13.774 15.659 1.292 1.00 0.00 H new ATOM 410 N GLY A 168 -11.426 11.404 -2.555 1.00 0.00 N ATOM 411 CA GLY A 168 -10.228 11.348 -3.439 1.00 0.00 C ATOM 412 C GLY A 168 -8.977 11.673 -2.622 1.00 0.00 C ATOM 413 O GLY A 168 -8.094 12.375 -3.074 1.00 0.00 O ATOM 0 H GLY A 168 -11.821 10.498 -2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -10.137 10.357 -3.884 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -10.334 12.058 -4.259 1.00 0.00 H new ATOM 417 N ALA A 169 -8.892 11.166 -1.423 1.00 0.00 N ATOM 418 CA ALA A 169 -7.696 11.446 -0.579 1.00 0.00 C ATOM 419 C ALA A 169 -6.741 10.252 -0.636 1.00 0.00 C ATOM 420 O ALA A 169 -7.158 9.112 -0.674 1.00 0.00 O ATOM 421 CB ALA A 169 -8.135 11.677 0.868 1.00 0.00 C ATOM 0 H ALA A 169 -9.598 10.570 -0.991 1.00 0.00 H new ATOM 0 HA ALA A 169 -7.189 12.336 -0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -7.260 11.882 1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -8.816 12.527 0.910 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -8.642 10.787 1.241 1.00 0.00 H new ATOM 427 N ARG A 170 -5.461 10.505 -0.643 1.00 0.00 N ATOM 428 CA ARG A 170 -4.478 9.388 -0.699 1.00 0.00 C ATOM 429 C ARG A 170 -4.228 8.858 0.715 1.00 0.00 C ATOM 430 O ARG A 170 -4.416 9.557 1.691 1.00 0.00 O ATOM 431 CB ARG A 170 -3.165 9.900 -1.293 1.00 0.00 C ATOM 432 CG ARG A 170 -3.443 10.561 -2.645 1.00 0.00 C ATOM 433 CD ARG A 170 -2.131 10.727 -3.412 1.00 0.00 C ATOM 434 NE ARG A 170 -1.782 12.173 -3.490 1.00 0.00 N ATOM 435 CZ ARG A 170 -1.269 12.777 -2.453 1.00 0.00 C ATOM 436 NH1 ARG A 170 -0.150 12.349 -1.937 1.00 0.00 N ATOM 437 NH2 ARG A 170 -1.875 13.809 -1.933 1.00 0.00 N ATOM 0 H ARG A 170 -5.053 11.439 -0.612 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.871 8.585 -1.322 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -2.701 10.616 -0.614 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -2.463 9.076 -1.416 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -4.139 9.953 -3.222 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -3.915 11.532 -2.497 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -1.334 10.176 -2.914 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -2.228 10.311 -4.415 1.00 0.00 H new ATOM 0 HE ARG A 170 -1.944 12.691 -4.354 1.00 0.00 H new ATOM 0 HH11 ARG A 170 0.324 11.543 -2.344 1.00 0.00 H new ATOM 0 HH12 ARG A 170 0.251 12.821 -1.127 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -2.750 14.144 -2.337 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -1.474 14.281 -1.123 1.00 0.00 H new ATOM 451 N VAL A 171 -3.808 7.627 0.835 1.00 0.00 N ATOM 452 CA VAL A 171 -3.553 7.060 2.188 1.00 0.00 C ATOM 453 C VAL A 171 -2.117 6.538 2.267 1.00 0.00 C ATOM 454 O VAL A 171 -1.814 5.452 1.815 1.00 0.00 O ATOM 455 CB VAL A 171 -4.530 5.911 2.455 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.068 5.114 3.679 1.00 0.00 C ATOM 457 CG2 VAL A 171 -5.923 6.483 2.719 1.00 0.00 C ATOM 0 H VAL A 171 -3.631 6.992 0.056 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.695 7.839 2.937 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.561 5.253 1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.765 4.297 3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.074 4.707 3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.035 5.770 4.549 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.621 5.668 2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -5.888 7.141 3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.255 7.049 1.849 1.00 0.00 H new ATOM 467 N TRP A 172 -1.234 7.300 2.853 1.00 0.00 N ATOM 468 CA TRP A 172 0.178 6.845 2.977 1.00 0.00 C ATOM 469 C TRP A 172 0.273 5.876 4.156 1.00 0.00 C ATOM 470 O TRP A 172 0.408 6.280 5.293 1.00 0.00 O ATOM 471 CB TRP A 172 1.084 8.056 3.230 1.00 0.00 C ATOM 472 CG TRP A 172 2.509 7.614 3.366 1.00 0.00 C ATOM 473 CD1 TRP A 172 3.012 6.916 4.410 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.623 7.838 2.452 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.359 6.696 4.195 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.782 7.243 3.004 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.738 8.489 1.210 1.00 0.00 C ATOM 478 CZ2 TRP A 172 6.012 7.294 2.351 1.00 0.00 C ATOM 479 CZ3 TRP A 172 4.976 8.544 0.548 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.111 7.947 1.117 1.00 0.00 C ATOM 0 H TRP A 172 -1.431 8.218 3.251 1.00 0.00 H new ATOM 0 HA TRP A 172 0.496 6.349 2.060 1.00 0.00 H new ATOM 0 HB2 TRP A 172 0.992 8.766 2.408 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.768 8.574 4.136 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.452 6.585 5.272 1.00 0.00 H new ATOM 0 HE1 TRP A 172 4.966 6.190 4.840 1.00 0.00 H new ATOM 0 HE3 TRP A 172 2.869 8.949 0.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 6.883 6.833 2.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 5.054 9.048 -0.404 1.00 0.00 H new ATOM 0 HH2 TRP A 172 7.060 7.991 0.603 1.00 0.00 H new ATOM 491 N LEU A 173 0.193 4.598 3.899 1.00 0.00 N ATOM 492 CA LEU A 173 0.272 3.614 5.014 1.00 0.00 C ATOM 493 C LEU A 173 1.499 3.927 5.869 1.00 0.00 C ATOM 494 O LEU A 173 1.420 4.017 7.078 1.00 0.00 O ATOM 495 CB LEU A 173 0.387 2.197 4.446 1.00 0.00 C ATOM 496 CG LEU A 173 -1.011 1.594 4.295 1.00 0.00 C ATOM 497 CD1 LEU A 173 -1.409 1.593 2.817 1.00 0.00 C ATOM 498 CD2 LEU A 173 -1.005 0.158 4.822 1.00 0.00 C ATOM 0 H LEU A 173 0.077 4.195 2.969 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.628 3.679 5.625 1.00 0.00 H new ATOM 0 HB2 LEU A 173 0.891 2.221 3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.993 1.577 5.107 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.727 2.188 4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -2.405 1.163 2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -1.412 2.616 2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.694 0.999 2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -2.000 -0.273 4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -0.290 -0.435 4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -0.721 0.158 5.874 1.00 0.00 H new ATOM 510 N GLY A 174 2.634 4.097 5.250 1.00 0.00 N ATOM 511 CA GLY A 174 3.864 4.408 6.031 1.00 0.00 C ATOM 512 C GLY A 174 5.093 3.878 5.293 1.00 0.00 C ATOM 513 O GLY A 174 5.009 2.951 4.511 1.00 0.00 O ATOM 0 H GLY A 174 2.763 4.034 4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 174 3.952 5.485 6.176 1.00 0.00 H new ATOM 0 HA3 GLY A 174 3.801 3.957 7.021 1.00 0.00 H new ATOM 517 N THR A 175 6.235 4.457 5.538 1.00 0.00 N ATOM 518 CA THR A 175 7.470 3.988 4.852 1.00 0.00 C ATOM 519 C THR A 175 7.833 2.588 5.355 1.00 0.00 C ATOM 520 O THR A 175 7.269 2.096 6.312 1.00 0.00 O ATOM 521 CB THR A 175 8.617 4.956 5.155 1.00 0.00 C ATOM 522 OG1 THR A 175 9.207 4.615 6.402 1.00 0.00 O ATOM 523 CG2 THR A 175 8.076 6.385 5.219 1.00 0.00 C ATOM 0 H THR A 175 6.366 5.235 6.184 1.00 0.00 H new ATOM 0 HA THR A 175 7.299 3.952 3.776 1.00 0.00 H new ATOM 0 HB THR A 175 9.368 4.888 4.368 1.00 0.00 H new ATOM 0 HG1 THR A 175 9.942 5.233 6.596 1.00 0.00 H new ATOM 0 HG21 THR A 175 8.893 7.074 5.435 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.624 6.646 4.262 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.325 6.455 6.006 1.00 0.00 H new ATOM 531 N PHE A 176 8.771 1.942 4.718 1.00 0.00 N ATOM 532 CA PHE A 176 9.168 0.576 5.160 1.00 0.00 C ATOM 533 C PHE A 176 10.655 0.363 4.871 1.00 0.00 C ATOM 534 O PHE A 176 11.366 1.284 4.519 1.00 0.00 O ATOM 535 CB PHE A 176 8.343 -0.468 4.404 1.00 0.00 C ATOM 536 CG PHE A 176 6.940 -0.499 4.963 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.959 0.349 4.433 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.619 -1.372 6.012 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.658 0.324 4.950 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.318 -1.396 6.529 1.00 0.00 C ATOM 541 CZ PHE A 176 4.337 -0.548 5.999 1.00 0.00 C ATOM 0 H PHE A 176 9.280 2.302 3.910 1.00 0.00 H new ATOM 0 HA PHE A 176 8.986 0.472 6.230 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.318 -0.228 3.341 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.805 -1.451 4.498 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.206 1.022 3.625 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.375 -2.026 6.421 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.902 0.977 4.540 1.00 0.00 H new ATOM 0 HE2 PHE A 176 5.071 -2.069 7.337 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.334 -0.566 6.399 1.00 0.00 H new ATOM 551 N GLU A 177 11.134 -0.842 5.017 1.00 0.00 N ATOM 552 CA GLU A 177 12.577 -1.105 4.751 1.00 0.00 C ATOM 553 C GLU A 177 12.729 -1.815 3.404 1.00 0.00 C ATOM 554 O GLU A 177 13.767 -1.758 2.775 1.00 0.00 O ATOM 555 CB GLU A 177 13.148 -1.992 5.861 1.00 0.00 C ATOM 556 CG GLU A 177 14.377 -1.317 6.474 1.00 0.00 C ATOM 557 CD GLU A 177 14.248 -1.306 7.998 1.00 0.00 C ATOM 558 OE1 GLU A 177 13.987 -2.359 8.559 1.00 0.00 O ATOM 559 OE2 GLU A 177 14.412 -0.247 8.580 1.00 0.00 O ATOM 0 H GLU A 177 10.590 -1.654 5.308 1.00 0.00 H new ATOM 0 HA GLU A 177 13.118 -0.159 4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 177 12.393 -2.163 6.629 1.00 0.00 H new ATOM 0 HB3 GLU A 177 13.419 -2.968 5.458 1.00 0.00 H new ATOM 0 HG2 GLU A 177 15.282 -1.849 6.179 1.00 0.00 H new ATOM 0 HG3 GLU A 177 14.470 -0.298 6.099 1.00 0.00 H new ATOM 566 N THR A 178 11.703 -2.485 2.957 1.00 0.00 N ATOM 567 CA THR A 178 11.793 -3.200 1.652 1.00 0.00 C ATOM 568 C THR A 178 10.441 -3.125 0.940 1.00 0.00 C ATOM 569 O THR A 178 9.420 -2.883 1.552 1.00 0.00 O ATOM 570 CB THR A 178 12.160 -4.664 1.900 1.00 0.00 C ATOM 571 OG1 THR A 178 10.977 -5.411 2.145 1.00 0.00 O ATOM 572 CG2 THR A 178 13.090 -4.762 3.110 1.00 0.00 C ATOM 0 H THR A 178 10.807 -2.569 3.438 1.00 0.00 H new ATOM 0 HA THR A 178 12.558 -2.735 1.030 1.00 0.00 H new ATOM 0 HB THR A 178 12.668 -5.066 1.023 1.00 0.00 H new ATOM 0 HG1 THR A 178 11.116 -6.000 2.916 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.350 -5.806 3.285 1.00 0.00 H new ATOM 0 HG22 THR A 178 13.997 -4.189 2.919 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.586 -4.361 3.990 1.00 0.00 H new ATOM 580 N ALA A 179 10.421 -3.331 -0.349 1.00 0.00 N ATOM 581 CA ALA A 179 9.132 -3.273 -1.087 1.00 0.00 C ATOM 582 C ALA A 179 8.240 -4.426 -0.632 1.00 0.00 C ATOM 583 O ALA A 179 7.033 -4.361 -0.721 1.00 0.00 O ATOM 584 CB ALA A 179 9.396 -3.387 -2.590 1.00 0.00 C ATOM 0 H ALA A 179 11.241 -3.536 -0.920 1.00 0.00 H new ATOM 0 HA ALA A 179 8.635 -2.325 -0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.450 -3.344 -3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 179 10.034 -2.564 -2.911 1.00 0.00 H new ATOM 0 HB3 ALA A 179 9.892 -4.334 -2.801 1.00 0.00 H new ATOM 590 N GLU A 180 8.827 -5.483 -0.137 1.00 0.00 N ATOM 591 CA GLU A 180 8.011 -6.641 0.329 1.00 0.00 C ATOM 592 C GLU A 180 7.289 -6.264 1.623 1.00 0.00 C ATOM 593 O GLU A 180 6.187 -6.706 1.881 1.00 0.00 O ATOM 594 CB GLU A 180 8.928 -7.838 0.585 1.00 0.00 C ATOM 595 CG GLU A 180 8.080 -9.094 0.806 1.00 0.00 C ATOM 596 CD GLU A 180 8.907 -10.146 1.548 1.00 0.00 C ATOM 597 OE1 GLU A 180 9.994 -9.813 1.990 1.00 0.00 O ATOM 598 OE2 GLU A 180 8.439 -11.267 1.660 1.00 0.00 O ATOM 0 H GLU A 180 9.836 -5.594 -0.035 1.00 0.00 H new ATOM 0 HA GLU A 180 7.277 -6.902 -0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.598 -7.984 -0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.553 -7.650 1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 180 7.188 -8.846 1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 180 7.743 -9.491 -0.152 1.00 0.00 H new ATOM 605 N ASP A 181 7.899 -5.448 2.435 1.00 0.00 N ATOM 606 CA ASP A 181 7.247 -5.039 3.708 1.00 0.00 C ATOM 607 C ASP A 181 6.175 -3.995 3.405 1.00 0.00 C ATOM 608 O ASP A 181 5.055 -4.090 3.864 1.00 0.00 O ATOM 609 CB ASP A 181 8.295 -4.442 4.652 1.00 0.00 C ATOM 610 CG ASP A 181 9.659 -5.081 4.381 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.680 -6.207 3.912 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.659 -4.435 4.648 1.00 0.00 O ATOM 0 H ASP A 181 8.822 -5.046 2.272 1.00 0.00 H new ATOM 0 HA ASP A 181 6.790 -5.907 4.184 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.354 -3.363 4.510 1.00 0.00 H new ATOM 0 HB3 ASP A 181 8.003 -4.611 5.688 1.00 0.00 H new ATOM 617 N ALA A 182 6.504 -3.000 2.626 1.00 0.00 N ATOM 618 CA ALA A 182 5.495 -1.960 2.288 1.00 0.00 C ATOM 619 C ALA A 182 4.394 -2.594 1.439 1.00 0.00 C ATOM 620 O ALA A 182 3.269 -2.138 1.417 1.00 0.00 O ATOM 621 CB ALA A 182 6.164 -0.831 1.500 1.00 0.00 C ATOM 0 H ALA A 182 7.426 -2.864 2.211 1.00 0.00 H new ATOM 0 HA ALA A 182 5.067 -1.552 3.203 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.423 -0.071 1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 182 6.955 -0.385 2.103 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.591 -1.232 0.581 1.00 0.00 H new ATOM 627 N ALA A 183 4.712 -3.652 0.742 1.00 0.00 N ATOM 628 CA ALA A 183 3.688 -4.327 -0.102 1.00 0.00 C ATOM 629 C ALA A 183 2.727 -5.098 0.799 1.00 0.00 C ATOM 630 O ALA A 183 1.522 -4.975 0.688 1.00 0.00 O ATOM 631 CB ALA A 183 4.377 -5.302 -1.060 1.00 0.00 C ATOM 0 H ALA A 183 5.639 -4.077 0.722 1.00 0.00 H new ATOM 0 HA ALA A 183 3.138 -3.582 -0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.627 -5.796 -1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 183 5.071 -4.755 -1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.925 -6.050 -0.486 1.00 0.00 H new ATOM 637 N LEU A 184 3.251 -5.890 1.695 1.00 0.00 N ATOM 638 CA LEU A 184 2.371 -6.667 2.609 1.00 0.00 C ATOM 639 C LEU A 184 1.534 -5.695 3.441 1.00 0.00 C ATOM 640 O LEU A 184 0.393 -5.961 3.766 1.00 0.00 O ATOM 641 CB LEU A 184 3.233 -7.533 3.531 1.00 0.00 C ATOM 642 CG LEU A 184 2.493 -8.834 3.849 1.00 0.00 C ATOM 643 CD1 LEU A 184 3.384 -10.028 3.498 1.00 0.00 C ATOM 644 CD2 LEU A 184 2.151 -8.876 5.340 1.00 0.00 C ATOM 0 H LEU A 184 4.252 -6.031 1.832 1.00 0.00 H new ATOM 0 HA LEU A 184 1.710 -7.312 2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 184 4.188 -7.753 3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.454 -6.994 4.452 1.00 0.00 H new ATOM 0 HG LEU A 184 1.575 -8.881 3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 184 2.857 -10.955 3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 184 3.628 -10.000 2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 184 4.303 -9.981 4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 184 1.624 -9.803 5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 184 3.069 -8.828 5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 184 1.516 -8.027 5.592 1.00 0.00 H new ATOM 656 N ALA A 185 2.089 -4.564 3.778 1.00 0.00 N ATOM 657 CA ALA A 185 1.324 -3.567 4.577 1.00 0.00 C ATOM 658 C ALA A 185 0.217 -2.979 3.701 1.00 0.00 C ATOM 659 O ALA A 185 -0.837 -2.609 4.178 1.00 0.00 O ATOM 660 CB ALA A 185 2.263 -2.449 5.040 1.00 0.00 C ATOM 0 H ALA A 185 3.040 -4.287 3.534 1.00 0.00 H new ATOM 0 HA ALA A 185 0.887 -4.049 5.452 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.701 -1.721 5.624 1.00 0.00 H new ATOM 0 HB2 ALA A 185 3.057 -2.872 5.655 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.700 -1.957 4.171 1.00 0.00 H new ATOM 666 N TYR A 186 0.452 -2.900 2.420 1.00 0.00 N ATOM 667 CA TYR A 186 -0.582 -2.348 1.500 1.00 0.00 C ATOM 668 C TYR A 186 -1.770 -3.310 1.447 1.00 0.00 C ATOM 669 O TYR A 186 -2.890 -2.915 1.200 1.00 0.00 O ATOM 670 CB TYR A 186 0.017 -2.201 0.096 1.00 0.00 C ATOM 671 CG TYR A 186 -1.088 -2.001 -0.914 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.800 -3.106 -1.396 1.00 0.00 C ATOM 673 CD2 TYR A 186 -1.400 -0.712 -1.370 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.825 -2.924 -2.334 1.00 0.00 C ATOM 675 CE2 TYR A 186 -2.426 -0.530 -2.307 1.00 0.00 C ATOM 676 CZ TYR A 186 -3.138 -1.636 -2.789 1.00 0.00 C ATOM 677 OH TYR A 186 -4.149 -1.458 -3.712 1.00 0.00 O ATOM 0 H TYR A 186 1.318 -3.195 1.970 1.00 0.00 H new ATOM 0 HA TYR A 186 -0.914 -1.374 1.859 1.00 0.00 H new ATOM 0 HB2 TYR A 186 0.703 -1.354 0.070 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.597 -3.089 -0.157 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.559 -4.099 -1.045 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.850 0.140 -0.999 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.374 -3.776 -2.706 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -2.668 0.463 -2.657 1.00 0.00 H new ATOM 0 HH TYR A 186 -4.238 -0.504 -3.920 1.00 0.00 H new ATOM 687 N ASP A 187 -1.527 -4.572 1.668 1.00 0.00 N ATOM 688 CA ASP A 187 -2.627 -5.569 1.625 1.00 0.00 C ATOM 689 C ASP A 187 -3.541 -5.395 2.838 1.00 0.00 C ATOM 690 O ASP A 187 -4.751 -5.415 2.727 1.00 0.00 O ATOM 691 CB ASP A 187 -2.020 -6.969 1.652 1.00 0.00 C ATOM 692 CG ASP A 187 -1.112 -7.158 0.435 1.00 0.00 C ATOM 693 OD1 ASP A 187 -1.156 -6.317 -0.448 1.00 0.00 O ATOM 694 OD2 ASP A 187 -0.389 -8.139 0.409 1.00 0.00 O ATOM 0 H ASP A 187 -0.606 -4.956 1.878 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.212 -5.426 0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.449 -7.111 2.570 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -2.811 -7.719 1.649 1.00 0.00 H new ATOM 699 N ARG A 188 -2.969 -5.241 3.995 1.00 0.00 N ATOM 700 CA ARG A 188 -3.795 -5.083 5.227 1.00 0.00 C ATOM 701 C ARG A 188 -4.598 -3.780 5.167 1.00 0.00 C ATOM 702 O ARG A 188 -5.664 -3.675 5.740 1.00 0.00 O ATOM 703 CB ARG A 188 -2.879 -5.059 6.453 1.00 0.00 C ATOM 704 CG ARG A 188 -2.090 -6.368 6.527 1.00 0.00 C ATOM 705 CD ARG A 188 -2.820 -7.354 7.441 1.00 0.00 C ATOM 706 NE ARG A 188 -2.540 -8.748 6.996 1.00 0.00 N ATOM 707 CZ ARG A 188 -2.878 -9.754 7.754 1.00 0.00 C ATOM 708 NH1 ARG A 188 -2.444 -9.819 8.984 1.00 0.00 N ATOM 709 NH2 ARG A 188 -3.648 -10.696 7.284 1.00 0.00 N ATOM 0 H ARG A 188 -1.960 -5.217 4.145 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.488 -5.922 5.298 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -2.195 -4.213 6.392 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -3.470 -4.927 7.359 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -1.978 -6.794 5.530 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -1.086 -6.179 6.907 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -2.495 -7.218 8.473 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -3.893 -7.162 7.417 1.00 0.00 H new ATOM 0 HE ARG A 188 -2.084 -8.915 6.099 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -1.841 -9.083 9.352 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -2.708 -10.606 9.577 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -3.986 -10.646 6.323 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -3.912 -11.483 7.877 1.00 0.00 H new ATOM 723 N ALA A 189 -4.099 -2.784 4.489 1.00 0.00 N ATOM 724 CA ALA A 189 -4.843 -1.493 4.412 1.00 0.00 C ATOM 725 C ALA A 189 -5.861 -1.542 3.270 1.00 0.00 C ATOM 726 O ALA A 189 -6.918 -0.948 3.343 1.00 0.00 O ATOM 727 CB ALA A 189 -3.857 -0.350 4.160 1.00 0.00 C ATOM 0 H ALA A 189 -3.212 -2.806 3.986 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.367 -1.328 5.354 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.400 0.593 4.104 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.136 -0.305 4.976 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.332 -0.523 3.221 1.00 0.00 H new ATOM 733 N ALA A 190 -5.551 -2.245 2.217 1.00 0.00 N ATOM 734 CA ALA A 190 -6.499 -2.328 1.072 1.00 0.00 C ATOM 735 C ALA A 190 -7.575 -3.369 1.378 1.00 0.00 C ATOM 736 O ALA A 190 -8.629 -3.382 0.775 1.00 0.00 O ATOM 737 CB ALA A 190 -5.737 -2.738 -0.191 1.00 0.00 C ATOM 0 H ALA A 190 -4.682 -2.766 2.100 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.967 -1.356 0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -6.430 -2.799 -1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.968 -1.997 -0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -5.270 -3.710 -0.035 1.00 0.00 H new ATOM 743 N PHE A 191 -7.318 -4.241 2.313 1.00 0.00 N ATOM 744 CA PHE A 191 -8.328 -5.278 2.657 1.00 0.00 C ATOM 745 C PHE A 191 -9.229 -4.756 3.774 1.00 0.00 C ATOM 746 O PHE A 191 -10.420 -4.982 3.779 1.00 0.00 O ATOM 747 CB PHE A 191 -7.619 -6.552 3.121 1.00 0.00 C ATOM 748 CG PHE A 191 -8.440 -7.756 2.737 1.00 0.00 C ATOM 749 CD1 PHE A 191 -8.498 -8.158 1.398 1.00 0.00 C ATOM 750 CD2 PHE A 191 -9.140 -8.473 3.717 1.00 0.00 C ATOM 751 CE1 PHE A 191 -9.258 -9.278 1.035 1.00 0.00 C ATOM 752 CE2 PHE A 191 -9.900 -9.593 3.354 1.00 0.00 C ATOM 753 CZ PHE A 191 -9.960 -9.996 2.014 1.00 0.00 C ATOM 0 H PHE A 191 -6.453 -4.280 2.853 1.00 0.00 H new ATOM 0 HA PHE A 191 -8.932 -5.503 1.778 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.629 -6.615 2.669 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.475 -6.527 4.201 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -7.957 -7.605 0.644 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -9.094 -8.163 4.750 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -9.303 -9.588 0.001 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -10.440 -10.146 4.108 1.00 0.00 H new ATOM 0 HZ PHE A 191 -10.546 -10.859 1.735 1.00 0.00 H new ATOM 763 N ARG A 192 -8.674 -4.052 4.719 1.00 0.00 N ATOM 764 CA ARG A 192 -9.512 -3.514 5.825 1.00 0.00 C ATOM 765 C ARG A 192 -10.509 -2.513 5.247 1.00 0.00 C ATOM 766 O ARG A 192 -11.669 -2.487 5.611 1.00 0.00 O ATOM 767 CB ARG A 192 -8.619 -2.811 6.848 1.00 0.00 C ATOM 768 CG ARG A 192 -9.278 -2.877 8.228 1.00 0.00 C ATOM 769 CD ARG A 192 -9.364 -4.336 8.684 1.00 0.00 C ATOM 770 NE ARG A 192 -8.411 -4.560 9.806 1.00 0.00 N ATOM 771 CZ ARG A 192 -7.266 -5.146 9.582 1.00 0.00 C ATOM 772 NH1 ARG A 192 -6.298 -4.488 9.004 1.00 0.00 N ATOM 773 NH2 ARG A 192 -7.089 -6.390 9.937 1.00 0.00 N ATOM 0 H ARG A 192 -7.681 -3.826 4.774 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.046 -4.329 6.314 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -7.638 -3.286 6.878 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -8.462 -1.772 6.557 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -8.702 -2.294 8.946 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -10.275 -2.438 8.188 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -10.380 -4.570 9.003 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -9.129 -5.002 7.854 1.00 0.00 H new ATOM 0 HE ARG A 192 -8.653 -4.256 10.749 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -6.436 -3.516 8.727 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -5.403 -4.946 8.829 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -7.845 -6.904 10.389 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -6.195 -6.848 9.762 1.00 0.00 H new ATOM 787 N MET A 193 -10.060 -1.692 4.342 1.00 0.00 N ATOM 788 CA MET A 193 -10.966 -0.688 3.718 1.00 0.00 C ATOM 789 C MET A 193 -11.800 -1.367 2.633 1.00 0.00 C ATOM 790 O MET A 193 -12.990 -1.145 2.515 1.00 0.00 O ATOM 791 CB MET A 193 -10.123 0.420 3.090 1.00 0.00 C ATOM 792 CG MET A 193 -11.037 1.540 2.591 1.00 0.00 C ATOM 793 SD MET A 193 -10.528 2.035 0.926 1.00 0.00 S ATOM 794 CE MET A 193 -8.821 2.475 1.336 1.00 0.00 C ATOM 0 H MET A 193 -9.098 -1.672 4.005 1.00 0.00 H new ATOM 0 HA MET A 193 -11.627 -0.265 4.474 1.00 0.00 H new ATOM 0 HB2 MET A 193 -9.417 0.812 3.822 1.00 0.00 H new ATOM 0 HB3 MET A 193 -9.536 0.020 2.263 1.00 0.00 H new ATOM 0 HG2 MET A 193 -12.073 1.201 2.581 1.00 0.00 H new ATOM 0 HG3 MET A 193 -10.987 2.393 3.267 1.00 0.00 H new ATOM 0 HE1 MET A 193 -8.312 2.832 0.441 1.00 0.00 H new ATOM 0 HE2 MET A 193 -8.819 3.260 2.092 1.00 0.00 H new ATOM 0 HE3 MET A 193 -8.302 1.598 1.722 1.00 0.00 H new ATOM 804 N ARG A 194 -11.181 -2.195 1.843 1.00 0.00 N ATOM 805 CA ARG A 194 -11.925 -2.899 0.763 1.00 0.00 C ATOM 806 C ARG A 194 -12.209 -4.334 1.203 1.00 0.00 C ATOM 807 O ARG A 194 -12.234 -5.246 0.400 1.00 0.00 O ATOM 808 CB ARG A 194 -11.079 -2.912 -0.512 1.00 0.00 C ATOM 809 CG ARG A 194 -10.414 -1.545 -0.698 1.00 0.00 C ATOM 810 CD ARG A 194 -10.109 -1.318 -2.181 1.00 0.00 C ATOM 811 NE ARG A 194 -9.302 -0.073 -2.333 1.00 0.00 N ATOM 812 CZ ARG A 194 -9.465 0.688 -3.380 1.00 0.00 C ATOM 813 NH1 ARG A 194 -10.459 1.533 -3.425 1.00 0.00 N ATOM 814 NH2 ARG A 194 -8.633 0.606 -4.382 1.00 0.00 N ATOM 0 H ARG A 194 -10.187 -2.416 1.898 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.865 -2.384 0.567 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.320 -3.692 -0.450 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.705 -3.144 -1.374 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -11.070 -0.757 -0.327 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -9.494 -1.495 -0.116 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -9.564 -2.170 -2.587 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -11.037 -1.235 -2.746 1.00 0.00 H new ATOM 0 HE ARG A 194 -8.622 0.184 -1.618 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -11.109 1.598 -2.641 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -10.586 2.128 -4.244 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -7.855 -0.053 -4.347 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -8.760 1.201 -5.201 1.00 0.00 H new ATOM 828 N GLY A 195 -12.414 -4.535 2.478 1.00 0.00 N ATOM 829 CA GLY A 195 -12.693 -5.909 2.996 1.00 0.00 C ATOM 830 C GLY A 195 -13.575 -6.674 2.008 1.00 0.00 C ATOM 831 O GLY A 195 -13.466 -7.877 1.870 1.00 0.00 O ATOM 0 H GLY A 195 -12.400 -3.803 3.188 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -11.757 -6.445 3.150 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -13.188 -5.847 3.965 1.00 0.00 H new ATOM 835 N SER A 196 -14.442 -5.990 1.316 1.00 0.00 N ATOM 836 CA SER A 196 -15.321 -6.685 0.335 1.00 0.00 C ATOM 837 C SER A 196 -14.508 -7.030 -0.916 1.00 0.00 C ATOM 838 O SER A 196 -14.543 -6.325 -1.904 1.00 0.00 O ATOM 839 CB SER A 196 -16.484 -5.769 -0.047 1.00 0.00 C ATOM 840 OG SER A 196 -17.626 -6.114 0.726 1.00 0.00 O ATOM 0 H SER A 196 -14.580 -4.982 1.387 1.00 0.00 H new ATOM 0 HA SER A 196 -15.713 -7.600 0.779 1.00 0.00 H new ATOM 0 HB2 SER A 196 -16.214 -4.727 0.127 1.00 0.00 H new ATOM 0 HB3 SER A 196 -16.706 -5.868 -1.110 1.00 0.00 H new ATOM 0 HG SER A 196 -18.373 -5.528 0.485 1.00 0.00 H new ATOM 846 N ARG A 197 -13.774 -8.109 -0.877 1.00 0.00 N ATOM 847 CA ARG A 197 -12.956 -8.497 -2.061 1.00 0.00 C ATOM 848 C ARG A 197 -11.939 -7.394 -2.358 1.00 0.00 C ATOM 849 O ARG A 197 -12.242 -6.220 -2.270 1.00 0.00 O ATOM 850 CB ARG A 197 -13.867 -8.690 -3.272 1.00 0.00 C ATOM 851 CG ARG A 197 -13.247 -9.720 -4.219 1.00 0.00 C ATOM 852 CD ARG A 197 -14.094 -10.993 -4.214 1.00 0.00 C ATOM 853 NE ARG A 197 -13.789 -11.784 -2.989 1.00 0.00 N ATOM 854 CZ ARG A 197 -12.872 -12.712 -3.024 1.00 0.00 C ATOM 855 NH1 ARG A 197 -11.630 -12.412 -2.763 1.00 0.00 N ATOM 856 NH2 ARG A 197 -13.199 -13.940 -3.321 1.00 0.00 N ATOM 0 H ARG A 197 -13.706 -8.738 -0.077 1.00 0.00 H new ATOM 0 HA ARG A 197 -12.432 -9.430 -1.851 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -14.853 -9.025 -2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -14.006 -7.741 -3.790 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -13.189 -9.313 -5.229 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -12.227 -9.948 -3.908 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -15.153 -10.738 -4.242 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -13.885 -11.586 -5.105 1.00 0.00 H new ATOM 0 HE ARG A 197 -14.297 -11.600 -2.123 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -11.375 -11.452 -2.531 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -10.914 -13.137 -2.790 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -14.171 -14.174 -3.526 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -12.483 -14.666 -3.349 1.00 0.00 H new ATOM 870 N ALA A 198 -10.736 -7.755 -2.710 1.00 0.00 N ATOM 871 CA ALA A 198 -9.711 -6.715 -3.009 1.00 0.00 C ATOM 872 C ALA A 198 -8.469 -7.367 -3.618 1.00 0.00 C ATOM 873 O ALA A 198 -8.086 -8.462 -3.257 1.00 0.00 O ATOM 874 CB ALA A 198 -9.327 -5.998 -1.714 1.00 0.00 C ATOM 0 H ALA A 198 -10.419 -8.720 -2.803 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.122 -5.998 -3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.577 -5.236 -1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.210 -5.527 -1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.919 -6.719 -1.006 1.00 0.00 H new ATOM 880 N LEU A 199 -7.832 -6.693 -4.538 1.00 0.00 N ATOM 881 CA LEU A 199 -6.609 -7.259 -5.173 1.00 0.00 C ATOM 882 C LEU A 199 -5.373 -6.668 -4.492 1.00 0.00 C ATOM 883 O LEU A 199 -5.062 -5.504 -4.649 1.00 0.00 O ATOM 884 CB LEU A 199 -6.595 -6.901 -6.660 1.00 0.00 C ATOM 885 CG LEU A 199 -6.946 -8.139 -7.485 1.00 0.00 C ATOM 886 CD1 LEU A 199 -5.876 -9.210 -7.277 1.00 0.00 C ATOM 887 CD2 LEU A 199 -8.304 -8.683 -7.035 1.00 0.00 C ATOM 0 H LEU A 199 -8.108 -5.772 -4.877 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.605 -8.343 -5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.310 -6.103 -6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.612 -6.527 -6.946 1.00 0.00 H new ATOM 0 HG LEU A 199 -6.992 -7.871 -8.540 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -6.126 -10.093 -7.865 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -4.908 -8.824 -7.596 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -5.830 -9.478 -6.222 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -8.555 -9.566 -7.623 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -8.257 -8.951 -5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -9.068 -7.920 -7.182 1.00 0.00 H new ATOM 899 N LEU A 200 -4.670 -7.460 -3.729 1.00 0.00 N ATOM 900 CA LEU A 200 -3.459 -6.939 -3.030 1.00 0.00 C ATOM 901 C LEU A 200 -2.210 -7.573 -3.637 1.00 0.00 C ATOM 902 O LEU A 200 -2.270 -8.619 -4.252 1.00 0.00 O ATOM 903 CB LEU A 200 -3.519 -7.294 -1.536 1.00 0.00 C ATOM 904 CG LEU A 200 -4.948 -7.672 -1.139 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.968 -8.149 0.313 1.00 0.00 C ATOM 906 CD2 LEU A 200 -5.851 -6.448 -1.287 1.00 0.00 C ATOM 0 H LEU A 200 -4.881 -8.443 -3.559 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.424 -5.856 -3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.844 -8.123 -1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.180 -6.447 -0.940 1.00 0.00 H new ATOM 0 HG LEU A 200 -5.307 -8.473 -1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.986 -8.418 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -4.321 -9.020 0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.611 -7.350 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.870 -6.712 -1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.491 -5.649 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -5.837 -6.109 -2.323 1.00 0.00 H new ATOM 918 N ASN A 201 -1.072 -6.960 -3.456 1.00 0.00 N ATOM 919 CA ASN A 201 0.175 -7.558 -4.016 1.00 0.00 C ATOM 920 C ASN A 201 0.254 -8.998 -3.524 1.00 0.00 C ATOM 921 O ASN A 201 0.654 -9.895 -4.239 1.00 0.00 O ATOM 922 CB ASN A 201 1.422 -6.798 -3.535 1.00 0.00 C ATOM 923 CG ASN A 201 1.063 -5.368 -3.124 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.367 -4.956 -1.923 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.503 -4.620 -3.901 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.951 -6.082 -2.951 1.00 0.00 H new ATOM 0 HA ASN A 201 0.146 -7.504 -5.104 1.00 0.00 H new ATOM 0 HB2 ASN A 201 1.870 -7.322 -2.691 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.169 -6.776 -4.329 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.266 -4.943 -4.839 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.270 -3.669 -3.615 1.00 0.00 H new ATOM 932 N PHE A 202 -0.146 -9.219 -2.301 1.00 0.00 N ATOM 933 CA PHE A 202 -0.122 -10.593 -1.734 1.00 0.00 C ATOM 934 C PHE A 202 -1.538 -10.948 -1.270 1.00 0.00 C ATOM 935 O PHE A 202 -1.881 -10.750 -0.121 1.00 0.00 O ATOM 936 CB PHE A 202 0.838 -10.641 -0.541 1.00 0.00 C ATOM 937 CG PHE A 202 2.105 -9.894 -0.875 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.639 -9.963 -2.167 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.752 -9.139 0.111 1.00 0.00 C ATOM 940 CE1 PHE A 202 3.819 -9.277 -2.475 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.934 -8.453 -0.196 1.00 0.00 C ATOM 942 CZ PHE A 202 4.468 -8.521 -1.490 1.00 0.00 C ATOM 0 H PHE A 202 -0.491 -8.498 -1.667 1.00 0.00 H new ATOM 0 HA PHE A 202 0.216 -11.304 -2.487 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.365 -10.199 0.336 1.00 0.00 H new ATOM 0 HB3 PHE A 202 1.070 -11.676 -0.291 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.140 -10.546 -2.927 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.340 -9.086 1.108 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.230 -9.330 -3.472 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.434 -7.872 0.565 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.379 -7.991 -1.728 1.00 0.00 H new ATOM 952 N PRO A 203 -2.323 -11.451 -2.189 1.00 0.00 N ATOM 953 CA PRO A 203 -3.722 -11.828 -1.920 1.00 0.00 C ATOM 954 C PRO A 203 -3.788 -13.142 -1.138 1.00 0.00 C ATOM 955 O PRO A 203 -3.154 -14.117 -1.484 1.00 0.00 O ATOM 956 CB PRO A 203 -4.328 -11.984 -3.318 1.00 0.00 C ATOM 957 CG PRO A 203 -3.143 -12.239 -4.280 1.00 0.00 C ATOM 958 CD PRO A 203 -1.885 -11.694 -3.579 1.00 0.00 C ATOM 0 HA PRO A 203 -4.253 -11.095 -1.312 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -5.036 -12.813 -3.345 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.877 -11.087 -3.606 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -3.038 -13.303 -4.493 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -3.303 -11.737 -5.234 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -1.065 -12.411 -3.619 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.531 -10.778 -4.051 1.00 0.00 H new