USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=7 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 -85:sc= 0.27 USER MOD Single : A 151 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.0067) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 ASN : amide:sc= -0.0745 X(o=-0.075,f=-0.35) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot -132:sc= -2.49! USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 MET CE :methyl 168:sc= -5.73! (180deg=-7.24!) USER MOD Single : A 196 SER OG : rot 180:sc=-0.000859 USER MOD Single : A 201 ASN :FLIP amide:sc= -2.94! C(o=-8.6!,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.730 -3.671 -6.794 1.00 0.00 N ATOM 41 CA TYR A 146 4.407 -3.895 -6.148 1.00 0.00 C ATOM 42 C TYR A 146 3.466 -2.741 -6.498 1.00 0.00 C ATOM 43 O TYR A 146 3.869 -1.596 -6.553 1.00 0.00 O ATOM 44 CB TYR A 146 4.576 -3.949 -4.627 1.00 0.00 C ATOM 45 CG TYR A 146 5.222 -5.249 -4.218 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.860 -6.445 -4.851 1.00 0.00 C ATOM 47 CD2 TYR A 146 6.176 -5.259 -3.192 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.456 -7.650 -4.459 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.767 -6.463 -2.799 1.00 0.00 C ATOM 50 CZ TYR A 146 6.409 -7.661 -3.433 1.00 0.00 C ATOM 51 OH TYR A 146 6.993 -8.850 -3.045 1.00 0.00 O ATOM 0 HA TYR A 146 3.992 -4.837 -6.506 1.00 0.00 H new ATOM 0 HB2 TYR A 146 5.187 -3.110 -4.292 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.605 -3.849 -4.143 1.00 0.00 H new ATOM 0 HD1 TYR A 146 4.123 -6.438 -5.640 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.455 -4.336 -2.705 1.00 0.00 H new ATOM 0 HE1 TYR A 146 5.180 -8.572 -4.949 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.500 -6.470 -2.006 1.00 0.00 H new ATOM 0 HH TYR A 146 6.423 -9.293 -2.382 1.00 0.00 H new ATOM 61 N ARG A 147 2.213 -3.029 -6.725 1.00 0.00 N ATOM 62 CA ARG A 147 1.251 -1.941 -7.056 1.00 0.00 C ATOM 63 C ARG A 147 0.898 -1.187 -5.774 1.00 0.00 C ATOM 64 O ARG A 147 -0.040 -1.529 -5.080 1.00 0.00 O ATOM 65 CB ARG A 147 -0.019 -2.540 -7.662 1.00 0.00 C ATOM 66 CG ARG A 147 0.353 -3.446 -8.837 1.00 0.00 C ATOM 67 CD ARG A 147 0.347 -4.905 -8.377 1.00 0.00 C ATOM 68 NE ARG A 147 1.579 -5.584 -8.867 1.00 0.00 N ATOM 69 CZ ARG A 147 1.621 -6.885 -8.941 1.00 0.00 C ATOM 70 NH1 ARG A 147 1.669 -7.601 -7.850 1.00 0.00 N ATOM 71 NH2 ARG A 147 1.615 -7.473 -10.107 1.00 0.00 N ATOM 0 H ARG A 147 1.816 -3.968 -6.696 1.00 0.00 H new ATOM 0 HA ARG A 147 1.702 -1.259 -7.777 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.561 -3.110 -6.907 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.684 -1.745 -7.999 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.355 -3.308 -9.655 1.00 0.00 H new ATOM 0 HG3 ARG A 147 1.338 -3.178 -9.219 1.00 0.00 H new ATOM 0 HD2 ARG A 147 0.300 -4.955 -7.289 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -0.538 -5.414 -8.758 1.00 0.00 H new ATOM 0 HE ARG A 147 2.390 -5.031 -9.145 1.00 0.00 H new ATOM 0 HH11 ARG A 147 1.674 -7.142 -6.939 1.00 0.00 H new ATOM 0 HH12 ARG A 147 1.702 -8.619 -7.909 1.00 0.00 H new ATOM 0 HH21 ARG A 147 1.577 -6.914 -10.960 1.00 0.00 H new ATOM 0 HH22 ARG A 147 1.648 -8.491 -10.165 1.00 0.00 H new ATOM 85 N GLY A 148 1.646 -0.170 -5.450 1.00 0.00 N ATOM 86 CA GLY A 148 1.358 0.601 -4.208 1.00 0.00 C ATOM 87 C GLY A 148 2.626 0.702 -3.355 1.00 0.00 C ATOM 88 O GLY A 148 2.584 1.115 -2.216 1.00 0.00 O ATOM 0 H GLY A 148 2.445 0.161 -5.991 1.00 0.00 H new ATOM 0 HA2 GLY A 148 1.000 1.598 -4.463 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.565 0.113 -3.641 1.00 0.00 H new ATOM 92 N VAL A 149 3.755 0.333 -3.895 1.00 0.00 N ATOM 93 CA VAL A 149 5.014 0.419 -3.103 1.00 0.00 C ATOM 94 C VAL A 149 6.049 1.224 -3.884 1.00 0.00 C ATOM 95 O VAL A 149 6.568 0.782 -4.890 1.00 0.00 O ATOM 96 CB VAL A 149 5.560 -0.984 -2.840 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.808 -0.886 -1.962 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.499 -1.815 -2.119 1.00 0.00 C ATOM 0 H VAL A 149 3.860 -0.022 -4.845 1.00 0.00 H new ATOM 0 HA VAL A 149 4.806 0.909 -2.152 1.00 0.00 H new ATOM 0 HB VAL A 149 5.815 -1.459 -3.787 1.00 0.00 H new ATOM 0 HG11 VAL A 149 7.199 -1.886 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.565 -0.290 -2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.550 -0.412 -1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 149 4.887 -2.816 -1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 149 4.246 -1.339 -1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.606 -1.883 -2.740 1.00 0.00 H new ATOM 108 N ARG A 150 6.354 2.403 -3.426 1.00 0.00 N ATOM 109 CA ARG A 150 7.357 3.238 -4.137 1.00 0.00 C ATOM 110 C ARG A 150 8.736 2.993 -3.528 1.00 0.00 C ATOM 111 O ARG A 150 9.002 3.365 -2.401 1.00 0.00 O ATOM 112 CB ARG A 150 6.987 4.715 -3.989 1.00 0.00 C ATOM 113 CG ARG A 150 7.221 5.437 -5.317 1.00 0.00 C ATOM 114 CD ARG A 150 7.003 6.939 -5.127 1.00 0.00 C ATOM 115 NE ARG A 150 5.793 7.162 -4.289 1.00 0.00 N ATOM 116 CZ ARG A 150 4.703 7.633 -4.831 1.00 0.00 C ATOM 117 NH1 ARG A 150 3.993 6.884 -5.629 1.00 0.00 N ATOM 118 NH2 ARG A 150 4.322 8.854 -4.574 1.00 0.00 N ATOM 0 H ARG A 150 5.952 2.825 -2.589 1.00 0.00 H new ATOM 0 HA ARG A 150 7.372 2.974 -5.194 1.00 0.00 H new ATOM 0 HB2 ARG A 150 5.943 4.811 -3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 150 7.587 5.174 -3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 150 8.234 5.248 -5.672 1.00 0.00 H new ATOM 0 HG3 ARG A 150 6.540 5.053 -6.077 1.00 0.00 H new ATOM 0 HD2 ARG A 150 7.876 7.387 -4.651 1.00 0.00 H new ATOM 0 HD3 ARG A 150 6.883 7.425 -6.095 1.00 0.00 H new ATOM 0 HE ARG A 150 5.816 6.947 -3.292 1.00 0.00 H new ATOM 0 HH11 ARG A 150 4.289 5.929 -5.830 1.00 0.00 H new ATOM 0 HH12 ARG A 150 3.141 7.253 -6.052 1.00 0.00 H new ATOM 0 HH21 ARG A 150 4.876 9.440 -3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 150 3.470 9.222 -4.997 1.00 0.00 H new ATOM 132 N GLN A 151 9.616 2.370 -4.263 1.00 0.00 N ATOM 133 CA GLN A 151 10.978 2.106 -3.723 1.00 0.00 C ATOM 134 C GLN A 151 11.824 3.371 -3.868 1.00 0.00 C ATOM 135 O GLN A 151 11.613 4.170 -4.759 1.00 0.00 O ATOM 136 CB GLN A 151 11.628 0.957 -4.501 1.00 0.00 C ATOM 137 CG GLN A 151 12.046 1.443 -5.890 1.00 0.00 C ATOM 138 CD GLN A 151 12.273 0.238 -6.805 1.00 0.00 C ATOM 139 OE1 GLN A 151 13.346 0.063 -7.346 1.00 0.00 O ATOM 140 NE2 GLN A 151 11.298 -0.608 -7.001 1.00 0.00 N ATOM 0 H GLN A 151 9.451 2.033 -5.212 1.00 0.00 H new ATOM 0 HA GLN A 151 10.910 1.828 -2.671 1.00 0.00 H new ATOM 0 HB2 GLN A 151 12.497 0.585 -3.959 1.00 0.00 H new ATOM 0 HB3 GLN A 151 10.929 0.126 -4.592 1.00 0.00 H new ATOM 0 HG2 GLN A 151 11.275 2.090 -6.308 1.00 0.00 H new ATOM 0 HG3 GLN A 151 12.957 2.037 -5.820 1.00 0.00 H new ATOM 0 HE21 GLN A 151 10.397 -0.461 -6.547 1.00 0.00 H new ATOM 0 HE22 GLN A 151 11.438 -1.415 -7.608 1.00 0.00 H new ATOM 149 N ARG A 152 12.775 3.562 -3.000 1.00 0.00 N ATOM 150 CA ARG A 152 13.627 4.779 -3.091 1.00 0.00 C ATOM 151 C ARG A 152 15.101 4.368 -3.119 1.00 0.00 C ATOM 152 O ARG A 152 15.437 3.249 -2.784 1.00 0.00 O ATOM 153 CB ARG A 152 13.364 5.673 -1.879 1.00 0.00 C ATOM 154 CG ARG A 152 12.343 6.750 -2.249 1.00 0.00 C ATOM 155 CD ARG A 152 11.454 7.049 -1.041 1.00 0.00 C ATOM 156 NE ARG A 152 11.643 8.468 -0.624 1.00 0.00 N ATOM 157 CZ ARG A 152 12.681 8.802 0.091 1.00 0.00 C ATOM 158 NH1 ARG A 152 12.866 8.261 1.263 1.00 0.00 N ATOM 159 NH2 ARG A 152 13.534 9.678 -0.366 1.00 0.00 N ATOM 0 H ARG A 152 13.000 2.929 -2.232 1.00 0.00 H new ATOM 0 HA ARG A 152 13.388 5.326 -4.003 1.00 0.00 H new ATOM 0 HB2 ARG A 152 12.992 5.075 -1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 152 14.293 6.137 -1.548 1.00 0.00 H new ATOM 0 HG2 ARG A 152 12.856 7.657 -2.570 1.00 0.00 H new ATOM 0 HG3 ARG A 152 11.733 6.415 -3.088 1.00 0.00 H new ATOM 0 HD2 ARG A 152 10.409 6.869 -1.292 1.00 0.00 H new ATOM 0 HD3 ARG A 152 11.704 6.380 -0.217 1.00 0.00 H new ATOM 0 HE ARG A 152 10.962 9.176 -0.898 1.00 0.00 H new ATOM 0 HH11 ARG A 152 12.199 7.577 1.620 1.00 0.00 H new ATOM 0 HH12 ARG A 152 13.678 8.522 1.823 1.00 0.00 H new ATOM 0 HH21 ARG A 152 13.389 10.101 -1.283 1.00 0.00 H new ATOM 0 HH22 ARG A 152 14.346 9.939 0.193 1.00 0.00 H new ATOM 173 N PRO A 153 15.937 5.289 -3.522 1.00 0.00 N ATOM 174 CA PRO A 153 17.389 5.059 -3.611 1.00 0.00 C ATOM 175 C PRO A 153 18.022 5.143 -2.219 1.00 0.00 C ATOM 176 O PRO A 153 19.196 4.884 -2.043 1.00 0.00 O ATOM 177 CB PRO A 153 17.879 6.198 -4.508 1.00 0.00 C ATOM 178 CG PRO A 153 16.812 7.316 -4.415 1.00 0.00 C ATOM 179 CD PRO A 153 15.514 6.645 -3.926 1.00 0.00 C ATOM 0 HA PRO A 153 17.649 4.076 -4.005 1.00 0.00 H new ATOM 0 HB2 PRO A 153 18.852 6.561 -4.178 1.00 0.00 H new ATOM 0 HB3 PRO A 153 17.998 5.859 -5.537 1.00 0.00 H new ATOM 0 HG2 PRO A 153 17.129 8.097 -3.724 1.00 0.00 H new ATOM 0 HG3 PRO A 153 16.662 7.790 -5.385 1.00 0.00 H new ATOM 0 HD2 PRO A 153 15.074 7.190 -3.091 1.00 0.00 H new ATOM 0 HD3 PRO A 153 14.763 6.609 -4.715 1.00 0.00 H new ATOM 187 N TRP A 154 17.250 5.501 -1.230 1.00 0.00 N ATOM 188 CA TRP A 154 17.802 5.601 0.149 1.00 0.00 C ATOM 189 C TRP A 154 17.468 4.324 0.920 1.00 0.00 C ATOM 190 O TRP A 154 17.344 4.331 2.129 1.00 0.00 O ATOM 191 CB TRP A 154 17.181 6.803 0.860 1.00 0.00 C ATOM 192 CG TRP A 154 18.046 7.200 2.011 1.00 0.00 C ATOM 193 CD1 TRP A 154 17.680 7.148 3.312 1.00 0.00 C ATOM 194 CD2 TRP A 154 19.412 7.706 1.988 1.00 0.00 C ATOM 195 NE1 TRP A 154 18.734 7.591 4.091 1.00 0.00 N ATOM 196 CE2 TRP A 154 19.825 7.947 3.321 1.00 0.00 C ATOM 197 CE3 TRP A 154 20.324 7.977 0.950 1.00 0.00 C ATOM 198 CZ2 TRP A 154 21.098 8.439 3.613 1.00 0.00 C ATOM 199 CZ3 TRP A 154 21.606 8.473 1.240 1.00 0.00 C ATOM 200 CH2 TRP A 154 21.992 8.703 2.570 1.00 0.00 C ATOM 0 H TRP A 154 16.260 5.729 -1.318 1.00 0.00 H new ATOM 0 HA TRP A 154 18.884 5.727 0.102 1.00 0.00 H new ATOM 0 HB2 TRP A 154 17.076 7.636 0.165 1.00 0.00 H new ATOM 0 HB3 TRP A 154 16.180 6.554 1.212 1.00 0.00 H new ATOM 0 HD1 TRP A 154 16.722 6.815 3.682 1.00 0.00 H new ATOM 0 HE1 TRP A 154 18.709 7.648 5.109 1.00 0.00 H new ATOM 0 HE3 TRP A 154 20.036 7.802 -0.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 21.391 8.615 4.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 22.298 8.678 0.436 1.00 0.00 H new ATOM 0 HH2 TRP A 154 22.979 9.084 2.788 1.00 0.00 H new ATOM 211 N GLY A 155 17.320 3.227 0.230 1.00 0.00 N ATOM 212 CA GLY A 155 16.992 1.951 0.923 1.00 0.00 C ATOM 213 C GLY A 155 15.696 2.119 1.718 1.00 0.00 C ATOM 214 O GLY A 155 15.675 1.978 2.926 1.00 0.00 O ATOM 0 H GLY A 155 17.412 3.160 -0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 155 16.883 1.147 0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.806 1.668 1.590 1.00 0.00 H new ATOM 218 N LYS A 156 14.613 2.417 1.053 1.00 0.00 N ATOM 219 CA LYS A 156 13.322 2.593 1.775 1.00 0.00 C ATOM 220 C LYS A 156 12.159 2.351 0.812 1.00 0.00 C ATOM 221 O LYS A 156 12.341 2.231 -0.383 1.00 0.00 O ATOM 222 CB LYS A 156 13.234 4.017 2.326 1.00 0.00 C ATOM 223 CG LYS A 156 13.683 4.027 3.788 1.00 0.00 C ATOM 224 CD LYS A 156 13.237 5.332 4.450 1.00 0.00 C ATOM 225 CE LYS A 156 13.731 5.362 5.897 1.00 0.00 C ATOM 226 NZ LYS A 156 14.916 6.261 5.998 1.00 0.00 N ATOM 0 H LYS A 156 14.567 2.546 0.042 1.00 0.00 H new ATOM 0 HA LYS A 156 13.269 1.879 2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 156 13.862 4.686 1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.212 4.387 2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 156 13.256 3.174 4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 156 14.767 3.929 3.847 1.00 0.00 H new ATOM 0 HD2 LYS A 156 13.634 6.186 3.901 1.00 0.00 H new ATOM 0 HD3 LYS A 156 12.150 5.413 4.423 1.00 0.00 H new ATOM 0 HE2 LYS A 156 12.937 5.713 6.556 1.00 0.00 H new ATOM 0 HE3 LYS A 156 13.995 4.356 6.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 15.253 6.282 6.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 15.674 5.907 5.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 14.649 7.222 5.703 1.00 0.00 H new ATOM 240 N PHE A 157 10.963 2.279 1.326 1.00 0.00 N ATOM 241 CA PHE A 157 9.783 2.047 0.448 1.00 0.00 C ATOM 242 C PHE A 157 8.604 2.866 0.972 1.00 0.00 C ATOM 243 O PHE A 157 8.676 3.462 2.026 1.00 0.00 O ATOM 244 CB PHE A 157 9.418 0.562 0.470 1.00 0.00 C ATOM 245 CG PHE A 157 10.431 -0.221 -0.328 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.579 -0.723 0.300 1.00 0.00 C ATOM 247 CD2 PHE A 157 10.224 -0.447 -1.695 1.00 0.00 C ATOM 248 CE1 PHE A 157 12.520 -1.452 -0.440 1.00 0.00 C ATOM 249 CE2 PHE A 157 11.166 -1.176 -2.434 1.00 0.00 C ATOM 250 CZ PHE A 157 12.312 -1.678 -1.807 1.00 0.00 C ATOM 0 H PHE A 157 10.752 2.371 2.320 1.00 0.00 H new ATOM 0 HA PHE A 157 10.018 2.348 -0.573 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.391 0.199 1.498 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.421 0.416 0.054 1.00 0.00 H new ATOM 0 HD1 PHE A 157 11.738 -0.548 1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.340 -0.060 -2.179 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.405 -1.839 0.043 1.00 0.00 H new ATOM 0 HE2 PHE A 157 11.007 -1.350 -3.488 1.00 0.00 H new ATOM 0 HZ PHE A 157 13.037 -2.240 -2.377 1.00 0.00 H new ATOM 260 N ALA A 158 7.518 2.904 0.250 1.00 0.00 N ATOM 261 CA ALA A 158 6.344 3.688 0.729 1.00 0.00 C ATOM 262 C ALA A 158 5.049 2.974 0.353 1.00 0.00 C ATOM 263 O ALA A 158 4.627 2.992 -0.786 1.00 0.00 O ATOM 264 CB ALA A 158 6.351 5.075 0.088 1.00 0.00 C ATOM 0 H ALA A 158 7.392 2.430 -0.644 1.00 0.00 H new ATOM 0 HA ALA A 158 6.406 3.783 1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.491 5.644 0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.268 5.597 0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.299 4.975 -0.996 1.00 0.00 H new ATOM 270 N ALA A 159 4.404 2.362 1.305 1.00 0.00 N ATOM 271 CA ALA A 159 3.125 1.667 1.002 1.00 0.00 C ATOM 272 C ALA A 159 1.999 2.701 0.982 1.00 0.00 C ATOM 273 O ALA A 159 1.786 3.416 1.940 1.00 0.00 O ATOM 274 CB ALA A 159 2.843 0.616 2.077 1.00 0.00 C ATOM 0 H ALA A 159 4.707 2.313 2.278 1.00 0.00 H new ATOM 0 HA ALA A 159 3.191 1.172 0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 159 1.905 0.108 1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.654 -0.112 2.096 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.769 1.102 3.050 1.00 0.00 H new ATOM 280 N GLU A 160 1.286 2.796 -0.104 1.00 0.00 N ATOM 281 CA GLU A 160 0.184 3.792 -0.183 1.00 0.00 C ATOM 282 C GLU A 160 -0.960 3.216 -1.018 1.00 0.00 C ATOM 283 O GLU A 160 -0.758 2.378 -1.873 1.00 0.00 O ATOM 284 CB GLU A 160 0.700 5.077 -0.840 1.00 0.00 C ATOM 285 CG GLU A 160 2.181 5.271 -0.504 1.00 0.00 C ATOM 286 CD GLU A 160 2.666 6.602 -1.082 1.00 0.00 C ATOM 287 OE1 GLU A 160 1.859 7.512 -1.181 1.00 0.00 O ATOM 288 OE2 GLU A 160 3.836 6.688 -1.416 1.00 0.00 O ATOM 0 H GLU A 160 1.419 2.227 -0.940 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.175 4.018 0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 160 0.567 5.023 -1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 160 0.123 5.933 -0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 160 2.324 5.258 0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.768 4.449 -0.913 1.00 0.00 H new ATOM 295 N ILE A 161 -2.161 3.660 -0.775 1.00 0.00 N ATOM 296 CA ILE A 161 -3.317 3.139 -1.554 1.00 0.00 C ATOM 297 C ILE A 161 -4.283 4.286 -1.854 1.00 0.00 C ATOM 298 O ILE A 161 -4.399 5.227 -1.094 1.00 0.00 O ATOM 299 CB ILE A 161 -4.031 2.061 -0.737 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.342 1.680 -1.425 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.330 2.595 0.665 1.00 0.00 C ATOM 302 CD1 ILE A 161 -5.984 0.511 -0.679 1.00 0.00 C ATOM 0 H ILE A 161 -2.392 4.361 -0.071 1.00 0.00 H new ATOM 0 HA ILE A 161 -2.967 2.709 -2.492 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.391 1.182 -0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -6.020 2.533 -1.439 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -5.155 1.405 -2.463 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.839 1.826 1.246 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.396 2.865 1.158 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -4.968 3.475 0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -6.919 0.237 -1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.306 -0.343 -0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.185 0.803 0.352 1.00 0.00 H new ATOM 314 N ARG A 162 -4.973 4.223 -2.959 1.00 0.00 N ATOM 315 CA ARG A 162 -5.924 5.317 -3.306 1.00 0.00 C ATOM 316 C ARG A 162 -7.266 5.074 -2.613 1.00 0.00 C ATOM 317 O ARG A 162 -7.941 4.097 -2.869 1.00 0.00 O ATOM 318 CB ARG A 162 -6.133 5.354 -4.821 1.00 0.00 C ATOM 319 CG ARG A 162 -6.842 6.656 -5.205 1.00 0.00 C ATOM 320 CD ARG A 162 -6.457 7.048 -6.633 1.00 0.00 C ATOM 321 NE ARG A 162 -6.720 8.501 -6.837 1.00 0.00 N ATOM 322 CZ ARG A 162 -6.206 9.118 -7.867 1.00 0.00 C ATOM 323 NH1 ARG A 162 -4.936 8.992 -8.136 1.00 0.00 N ATOM 324 NH2 ARG A 162 -6.964 9.860 -8.628 1.00 0.00 N ATOM 0 H ARG A 162 -4.920 3.462 -3.636 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.512 6.269 -2.972 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -5.173 5.285 -5.333 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -6.726 4.497 -5.138 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -7.922 6.529 -5.130 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -6.566 7.451 -4.512 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -5.404 6.830 -6.810 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -7.030 6.460 -7.350 1.00 0.00 H new ATOM 0 HE ARG A 162 -7.301 9.013 -6.173 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -4.344 8.411 -7.542 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -4.535 9.474 -8.940 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -7.957 9.958 -8.418 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -6.563 10.342 -9.432 1.00 0.00 H new ATOM 338 N ASP A 163 -7.660 5.961 -1.741 1.00 0.00 N ATOM 339 CA ASP A 163 -8.960 5.789 -1.035 1.00 0.00 C ATOM 340 C ASP A 163 -9.912 6.914 -1.453 1.00 0.00 C ATOM 341 O ASP A 163 -9.793 8.027 -0.980 1.00 0.00 O ATOM 342 CB ASP A 163 -8.733 5.854 0.476 1.00 0.00 C ATOM 343 CG ASP A 163 -10.052 5.588 1.204 1.00 0.00 C ATOM 344 OD1 ASP A 163 -11.060 5.454 0.530 1.00 0.00 O ATOM 345 OD2 ASP A 163 -10.032 5.523 2.421 1.00 0.00 O ATOM 0 H ASP A 163 -7.136 6.799 -1.487 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.393 4.823 -1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.986 5.118 0.774 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.343 6.833 0.754 1.00 0.00 H new ATOM 350 N PRO A 164 -10.830 6.593 -2.331 1.00 0.00 N ATOM 351 CA PRO A 164 -11.816 7.566 -2.831 1.00 0.00 C ATOM 352 C PRO A 164 -12.903 7.811 -1.782 1.00 0.00 C ATOM 353 O PRO A 164 -13.528 8.853 -1.754 1.00 0.00 O ATOM 354 CB PRO A 164 -12.393 6.887 -4.077 1.00 0.00 C ATOM 355 CG PRO A 164 -12.132 5.373 -3.907 1.00 0.00 C ATOM 356 CD PRO A 164 -10.975 5.238 -2.901 1.00 0.00 C ATOM 0 HA PRO A 164 -11.384 8.543 -3.050 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -13.460 7.089 -4.171 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -11.916 7.265 -4.981 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -13.024 4.864 -3.542 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -11.872 4.915 -4.861 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -11.203 4.503 -2.129 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -10.058 4.912 -3.391 1.00 0.00 H new ATOM 364 N ALA A 165 -13.130 6.861 -0.918 1.00 0.00 N ATOM 365 CA ALA A 165 -14.169 7.042 0.131 1.00 0.00 C ATOM 366 C ALA A 165 -13.740 8.166 1.076 1.00 0.00 C ATOM 367 O ALA A 165 -14.533 8.694 1.831 1.00 0.00 O ATOM 368 CB ALA A 165 -14.331 5.742 0.920 1.00 0.00 C ATOM 0 H ALA A 165 -12.640 5.967 -0.894 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.120 7.300 -0.336 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.092 5.875 1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.633 4.942 0.245 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.383 5.481 1.390 1.00 0.00 H new ATOM 374 N LYS A 166 -12.488 8.536 1.043 1.00 0.00 N ATOM 375 CA LYS A 166 -12.004 9.625 1.938 1.00 0.00 C ATOM 376 C LYS A 166 -12.074 10.963 1.199 1.00 0.00 C ATOM 377 O LYS A 166 -11.172 11.773 1.277 1.00 0.00 O ATOM 378 CB LYS A 166 -10.556 9.345 2.347 1.00 0.00 C ATOM 379 CG LYS A 166 -10.519 8.185 3.344 1.00 0.00 C ATOM 380 CD LYS A 166 -10.978 8.676 4.719 1.00 0.00 C ATOM 381 CE LYS A 166 -11.921 7.645 5.342 1.00 0.00 C ATOM 382 NZ LYS A 166 -12.103 7.951 6.789 1.00 0.00 N ATOM 0 H LYS A 166 -11.778 8.130 0.433 1.00 0.00 H new ATOM 0 HA LYS A 166 -12.632 9.668 2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -9.960 9.101 1.468 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -10.115 10.236 2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -11.165 7.377 3.001 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -9.509 7.780 3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -10.116 8.834 5.367 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -11.485 9.636 4.623 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -12.884 7.662 4.832 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -11.513 6.642 5.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -12.744 7.251 7.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -11.182 7.914 7.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -12.511 8.902 6.894 1.00 0.00 H new ATOM 396 N ASN A 167 -13.138 11.203 0.482 1.00 0.00 N ATOM 397 CA ASN A 167 -13.262 12.488 -0.262 1.00 0.00 C ATOM 398 C ASN A 167 -12.040 12.674 -1.163 1.00 0.00 C ATOM 399 O ASN A 167 -11.362 13.682 -1.107 1.00 0.00 O ATOM 400 CB ASN A 167 -13.344 13.649 0.731 1.00 0.00 C ATOM 401 CG ASN A 167 -14.604 14.471 0.452 1.00 0.00 C ATOM 402 OD1 ASN A 167 -14.941 14.718 -0.689 1.00 0.00 O ATOM 403 ND2 ASN A 167 -15.319 14.907 1.453 1.00 0.00 N ATOM 0 H ASN A 167 -13.927 10.564 0.379 1.00 0.00 H new ATOM 0 HA ASN A 167 -14.165 12.468 -0.872 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -13.364 13.268 1.752 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -12.459 14.279 0.644 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -16.161 15.455 1.278 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -15.036 14.699 2.411 1.00 0.00 H new ATOM 410 N GLY A 168 -11.751 11.711 -1.996 1.00 0.00 N ATOM 411 CA GLY A 168 -10.572 11.833 -2.898 1.00 0.00 C ATOM 412 C GLY A 168 -9.338 12.212 -2.078 1.00 0.00 C ATOM 413 O GLY A 168 -8.849 13.323 -2.150 1.00 0.00 O ATOM 0 H GLY A 168 -12.281 10.845 -2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -10.400 10.891 -3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -10.761 12.589 -3.660 1.00 0.00 H new ATOM 417 N ALA A 169 -8.832 11.300 -1.294 1.00 0.00 N ATOM 418 CA ALA A 169 -7.633 11.610 -0.465 1.00 0.00 C ATOM 419 C ALA A 169 -6.682 10.411 -0.474 1.00 0.00 C ATOM 420 O ALA A 169 -7.026 9.330 -0.038 1.00 0.00 O ATOM 421 CB ALA A 169 -8.071 11.905 0.970 1.00 0.00 C ATOM 0 H ALA A 169 -9.197 10.353 -1.192 1.00 0.00 H new ATOM 0 HA ALA A 169 -7.121 12.481 -0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -7.195 12.132 1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -8.748 12.759 0.975 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -8.582 11.034 1.381 1.00 0.00 H new ATOM 427 N ARG A 170 -5.489 10.592 -0.969 1.00 0.00 N ATOM 428 CA ARG A 170 -4.519 9.461 -1.006 1.00 0.00 C ATOM 429 C ARG A 170 -4.367 8.872 0.398 1.00 0.00 C ATOM 430 O ARG A 170 -4.852 9.422 1.367 1.00 0.00 O ATOM 431 CB ARG A 170 -3.162 9.965 -1.504 1.00 0.00 C ATOM 432 CG ARG A 170 -2.495 10.809 -0.415 1.00 0.00 C ATOM 433 CD ARG A 170 -1.337 11.601 -1.024 1.00 0.00 C ATOM 434 NE ARG A 170 -1.831 12.925 -1.494 1.00 0.00 N ATOM 435 CZ ARG A 170 -1.042 13.709 -2.175 1.00 0.00 C ATOM 436 NH1 ARG A 170 0.248 13.652 -1.990 1.00 0.00 N ATOM 437 NH2 ARG A 170 -1.543 14.547 -3.041 1.00 0.00 N ATOM 0 H ARG A 170 -5.144 11.473 -1.349 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.886 8.690 -1.683 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -2.524 9.121 -1.766 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -3.293 10.559 -2.409 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -3.222 11.489 0.029 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -2.129 10.166 0.386 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -0.548 11.737 -0.285 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -0.902 11.047 -1.856 1.00 0.00 H new ATOM 0 HE ARG A 170 -2.785 13.218 -1.284 1.00 0.00 H new ATOM 0 HH11 ARG A 170 0.638 12.995 -1.314 1.00 0.00 H new ATOM 0 HH12 ARG A 170 0.867 14.264 -2.522 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -2.552 14.589 -3.185 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -0.926 15.160 -3.573 1.00 0.00 H new ATOM 451 N VAL A 171 -3.701 7.755 0.515 1.00 0.00 N ATOM 452 CA VAL A 171 -3.527 7.132 1.856 1.00 0.00 C ATOM 453 C VAL A 171 -2.107 6.576 1.985 1.00 0.00 C ATOM 454 O VAL A 171 -1.841 5.439 1.648 1.00 0.00 O ATOM 455 CB VAL A 171 -4.545 6.000 2.022 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.167 5.128 3.222 1.00 0.00 C ATOM 457 CG2 VAL A 171 -5.933 6.603 2.251 1.00 0.00 C ATOM 0 H VAL A 171 -3.271 7.249 -0.259 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.687 7.881 2.631 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.550 5.385 1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.896 4.326 3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.177 4.700 3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.158 5.737 4.126 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.663 5.802 2.370 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -5.919 7.217 3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.208 7.220 1.395 1.00 0.00 H new ATOM 467 N TRP A 172 -1.197 7.369 2.478 1.00 0.00 N ATOM 468 CA TRP A 172 0.206 6.891 2.639 1.00 0.00 C ATOM 469 C TRP A 172 0.297 6.011 3.887 1.00 0.00 C ATOM 470 O TRP A 172 0.427 6.496 4.992 1.00 0.00 O ATOM 471 CB TRP A 172 1.134 8.100 2.789 1.00 0.00 C ATOM 472 CG TRP A 172 2.555 7.645 2.917 1.00 0.00 C ATOM 473 CD1 TRP A 172 3.058 6.933 3.953 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.667 7.864 1.999 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.403 6.708 3.731 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.824 7.257 2.543 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.782 8.524 0.761 1.00 0.00 C ATOM 478 CZ2 TRP A 172 6.051 7.302 1.885 1.00 0.00 C ATOM 479 CZ3 TRP A 172 5.017 8.572 0.093 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.150 7.960 0.655 1.00 0.00 C ATOM 0 H TRP A 172 -1.364 8.330 2.777 1.00 0.00 H new ATOM 0 HA TRP A 172 0.505 6.311 1.766 1.00 0.00 H new ATOM 0 HB2 TRP A 172 1.031 8.757 1.925 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.849 8.680 3.667 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.499 6.596 4.813 1.00 0.00 H new ATOM 0 HE1 TRP A 172 5.010 6.196 4.371 1.00 0.00 H new ATOM 0 HE3 TRP A 172 2.916 8.996 0.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 6.920 6.832 2.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 5.096 9.081 -0.856 1.00 0.00 H new ATOM 0 HH2 TRP A 172 7.097 7.998 0.137 1.00 0.00 H new ATOM 491 N LEU A 173 0.220 4.718 3.720 1.00 0.00 N ATOM 492 CA LEU A 173 0.296 3.810 4.898 1.00 0.00 C ATOM 493 C LEU A 173 1.547 4.139 5.716 1.00 0.00 C ATOM 494 O LEU A 173 1.507 4.205 6.929 1.00 0.00 O ATOM 495 CB LEU A 173 0.366 2.359 4.420 1.00 0.00 C ATOM 496 CG LEU A 173 -1.045 1.776 4.358 1.00 0.00 C ATOM 497 CD1 LEU A 173 -1.336 1.290 2.936 1.00 0.00 C ATOM 498 CD2 LEU A 173 -1.150 0.601 5.333 1.00 0.00 C ATOM 0 H LEU A 173 0.108 4.253 2.819 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.590 3.945 5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 173 0.835 2.311 3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.985 1.771 5.098 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.769 2.543 4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -2.343 0.874 2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -1.259 2.127 2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.614 0.522 2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -2.156 0.182 5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -0.426 -0.166 5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -0.943 0.949 6.345 1.00 0.00 H new ATOM 510 N GLY A 174 2.658 4.343 5.063 1.00 0.00 N ATOM 511 CA GLY A 174 3.909 4.666 5.804 1.00 0.00 C ATOM 512 C GLY A 174 5.100 4.023 5.095 1.00 0.00 C ATOM 513 O GLY A 174 4.977 2.996 4.459 1.00 0.00 O ATOM 0 H GLY A 174 2.753 4.300 4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.044 5.746 5.858 1.00 0.00 H new ATOM 0 HA3 GLY A 174 3.842 4.301 6.829 1.00 0.00 H new ATOM 517 N THR A 175 6.255 4.623 5.195 1.00 0.00 N ATOM 518 CA THR A 175 7.450 4.045 4.523 1.00 0.00 C ATOM 519 C THR A 175 7.756 2.675 5.126 1.00 0.00 C ATOM 520 O THR A 175 7.202 2.294 6.138 1.00 0.00 O ATOM 521 CB THR A 175 8.654 4.972 4.714 1.00 0.00 C ATOM 522 OG1 THR A 175 9.284 4.679 5.954 1.00 0.00 O ATOM 523 CG2 THR A 175 8.189 6.429 4.706 1.00 0.00 C ATOM 0 H THR A 175 6.421 5.486 5.712 1.00 0.00 H new ATOM 0 HA THR A 175 7.249 3.938 3.457 1.00 0.00 H new ATOM 0 HB THR A 175 9.363 4.817 3.901 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.056 5.270 6.077 1.00 0.00 H new ATOM 0 HG21 THR A 175 9.048 7.086 4.842 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.709 6.652 3.753 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.478 6.589 5.517 1.00 0.00 H new ATOM 531 N PHE A 176 8.629 1.926 4.512 1.00 0.00 N ATOM 532 CA PHE A 176 8.963 0.579 5.051 1.00 0.00 C ATOM 533 C PHE A 176 10.461 0.317 4.880 1.00 0.00 C ATOM 534 O PHE A 176 11.210 1.184 4.472 1.00 0.00 O ATOM 535 CB PHE A 176 8.164 -0.482 4.294 1.00 0.00 C ATOM 536 CG PHE A 176 6.732 -0.459 4.771 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.807 0.414 4.181 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.328 -1.310 5.809 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.480 0.435 4.630 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.002 -1.288 6.257 1.00 0.00 C ATOM 541 CZ PHE A 176 4.077 -0.416 5.667 1.00 0.00 C ATOM 0 H PHE A 176 9.125 2.189 3.660 1.00 0.00 H new ATOM 0 HA PHE A 176 8.709 0.536 6.110 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.206 -0.290 3.222 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.599 -1.468 4.458 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.117 1.070 3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.040 -1.983 6.263 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.767 1.108 4.176 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.692 -1.943 7.058 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.054 -0.400 6.012 1.00 0.00 H new ATOM 551 N GLU A 177 10.905 -0.868 5.194 1.00 0.00 N ATOM 552 CA GLU A 177 12.355 -1.183 5.054 1.00 0.00 C ATOM 553 C GLU A 177 12.592 -1.955 3.754 1.00 0.00 C ATOM 554 O GLU A 177 13.674 -1.936 3.201 1.00 0.00 O ATOM 555 CB GLU A 177 12.805 -2.037 6.242 1.00 0.00 C ATOM 556 CG GLU A 177 13.885 -1.293 7.028 1.00 0.00 C ATOM 557 CD GLU A 177 13.285 -0.738 8.322 1.00 0.00 C ATOM 558 OE1 GLU A 177 13.021 -1.526 9.214 1.00 0.00 O ATOM 559 OE2 GLU A 177 13.097 0.465 8.397 1.00 0.00 O ATOM 0 H GLU A 177 10.326 -1.633 5.542 1.00 0.00 H new ATOM 0 HA GLU A 177 12.926 -0.255 5.032 1.00 0.00 H new ATOM 0 HB2 GLU A 177 11.955 -2.255 6.889 1.00 0.00 H new ATOM 0 HB3 GLU A 177 13.191 -2.994 5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 177 14.711 -1.966 7.257 1.00 0.00 H new ATOM 0 HG3 GLU A 177 14.293 -0.481 6.426 1.00 0.00 H new ATOM 566 N THR A 178 11.593 -2.635 3.263 1.00 0.00 N ATOM 567 CA THR A 178 11.768 -3.405 1.999 1.00 0.00 C ATOM 568 C THR A 178 10.504 -3.280 1.145 1.00 0.00 C ATOM 569 O THR A 178 9.514 -2.715 1.565 1.00 0.00 O ATOM 570 CB THR A 178 12.014 -4.881 2.325 1.00 0.00 C ATOM 571 OG1 THR A 178 10.769 -5.534 2.526 1.00 0.00 O ATOM 572 CG2 THR A 178 12.864 -4.997 3.592 1.00 0.00 C ATOM 0 H THR A 178 10.664 -2.691 3.681 1.00 0.00 H new ATOM 0 HA THR A 178 12.621 -3.006 1.450 1.00 0.00 H new ATOM 0 HB THR A 178 12.542 -5.351 1.495 1.00 0.00 H new ATOM 0 HG1 THR A 178 10.808 -6.067 3.347 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.036 -6.049 3.820 1.00 0.00 H new ATOM 0 HG22 THR A 178 13.821 -4.498 3.435 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.342 -4.526 4.425 1.00 0.00 H new ATOM 580 N ALA A 179 10.530 -3.806 -0.050 1.00 0.00 N ATOM 581 CA ALA A 179 9.330 -3.719 -0.926 1.00 0.00 C ATOM 582 C ALA A 179 8.294 -4.749 -0.471 1.00 0.00 C ATOM 583 O ALA A 179 7.112 -4.597 -0.702 1.00 0.00 O ATOM 584 CB ALA A 179 9.734 -4.010 -2.373 1.00 0.00 C ATOM 0 H ALA A 179 11.330 -4.291 -0.456 1.00 0.00 H new ATOM 0 HA ALA A 179 8.903 -2.718 -0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.856 -3.947 -3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 179 10.475 -3.280 -2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 179 10.159 -5.011 -2.438 1.00 0.00 H new ATOM 590 N GLU A 180 8.730 -5.798 0.174 1.00 0.00 N ATOM 591 CA GLU A 180 7.770 -6.838 0.642 1.00 0.00 C ATOM 592 C GLU A 180 7.045 -6.342 1.892 1.00 0.00 C ATOM 593 O GLU A 180 5.913 -6.697 2.144 1.00 0.00 O ATOM 594 CB GLU A 180 8.528 -8.123 0.974 1.00 0.00 C ATOM 595 CG GLU A 180 7.541 -9.178 1.477 1.00 0.00 C ATOM 596 CD GLU A 180 8.246 -10.107 2.466 1.00 0.00 C ATOM 597 OE1 GLU A 180 8.905 -9.598 3.358 1.00 0.00 O ATOM 598 OE2 GLU A 180 8.116 -11.310 2.314 1.00 0.00 O ATOM 0 H GLU A 180 9.709 -5.979 0.397 1.00 0.00 H new ATOM 0 HA GLU A 180 7.043 -7.036 -0.146 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.050 -8.489 0.090 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.285 -7.926 1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 180 6.691 -8.695 1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 180 7.148 -9.753 0.638 1.00 0.00 H new ATOM 605 N ASP A 181 7.687 -5.525 2.679 1.00 0.00 N ATOM 606 CA ASP A 181 7.031 -5.011 3.909 1.00 0.00 C ATOM 607 C ASP A 181 6.022 -3.929 3.528 1.00 0.00 C ATOM 608 O ASP A 181 4.934 -3.862 4.066 1.00 0.00 O ATOM 609 CB ASP A 181 8.092 -4.418 4.839 1.00 0.00 C ATOM 610 CG ASP A 181 9.406 -5.186 4.678 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.351 -6.337 4.278 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.446 -4.610 4.956 1.00 0.00 O ATOM 0 H ASP A 181 8.638 -5.192 2.522 1.00 0.00 H new ATOM 0 HA ASP A 181 6.516 -5.825 4.419 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.245 -3.364 4.607 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.753 -4.471 5.874 1.00 0.00 H new ATOM 617 N ALA A 182 6.370 -3.081 2.598 1.00 0.00 N ATOM 618 CA ALA A 182 5.426 -2.009 2.180 1.00 0.00 C ATOM 619 C ALA A 182 4.286 -2.634 1.379 1.00 0.00 C ATOM 620 O ALA A 182 3.145 -2.225 1.478 1.00 0.00 O ATOM 621 CB ALA A 182 6.159 -0.984 1.313 1.00 0.00 C ATOM 0 H ALA A 182 7.266 -3.085 2.111 1.00 0.00 H new ATOM 0 HA ALA A 182 5.027 -1.509 3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.464 -0.201 1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 182 6.976 -0.543 1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.560 -1.477 0.427 1.00 0.00 H new ATOM 627 N ALA A 183 4.584 -3.630 0.593 1.00 0.00 N ATOM 628 CA ALA A 183 3.516 -4.290 -0.206 1.00 0.00 C ATOM 629 C ALA A 183 2.598 -5.061 0.741 1.00 0.00 C ATOM 630 O ALA A 183 1.393 -5.073 0.582 1.00 0.00 O ATOM 631 CB ALA A 183 4.146 -5.259 -1.210 1.00 0.00 C ATOM 0 H ALA A 183 5.520 -4.015 0.470 1.00 0.00 H new ATOM 0 HA ALA A 183 2.944 -3.538 -0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.361 -5.740 -1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.810 -4.710 -1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.717 -6.018 -0.674 1.00 0.00 H new ATOM 637 N LEU A 184 3.161 -5.699 1.729 1.00 0.00 N ATOM 638 CA LEU A 184 2.329 -6.466 2.695 1.00 0.00 C ATOM 639 C LEU A 184 1.402 -5.501 3.428 1.00 0.00 C ATOM 640 O LEU A 184 0.219 -5.742 3.569 1.00 0.00 O ATOM 641 CB LEU A 184 3.233 -7.173 3.706 1.00 0.00 C ATOM 642 CG LEU A 184 2.373 -7.981 4.679 1.00 0.00 C ATOM 643 CD1 LEU A 184 1.893 -9.264 3.997 1.00 0.00 C ATOM 644 CD2 LEU A 184 3.203 -8.338 5.914 1.00 0.00 C ATOM 0 H LEU A 184 4.165 -5.722 1.909 1.00 0.00 H new ATOM 0 HA LEU A 184 1.740 -7.211 2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.931 -7.831 3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.829 -6.441 4.252 1.00 0.00 H new ATOM 0 HG LEU A 184 1.509 -7.388 4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 184 1.280 -9.838 4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 184 1.302 -9.009 3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 184 2.754 -9.860 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 184 2.592 -8.914 6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 184 4.067 -8.931 5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 184 3.542 -7.424 6.401 1.00 0.00 H new ATOM 656 N ALA A 185 1.932 -4.403 3.887 1.00 0.00 N ATOM 657 CA ALA A 185 1.084 -3.411 4.602 1.00 0.00 C ATOM 658 C ALA A 185 0.071 -2.830 3.616 1.00 0.00 C ATOM 659 O ALA A 185 -1.004 -2.404 3.990 1.00 0.00 O ATOM 660 CB ALA A 185 1.967 -2.290 5.157 1.00 0.00 C ATOM 0 H ALA A 185 2.916 -4.150 3.798 1.00 0.00 H new ATOM 0 HA ALA A 185 0.561 -3.893 5.428 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.346 -1.563 5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.696 -2.710 5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.488 -1.797 4.336 1.00 0.00 H new ATOM 666 N TYR A 186 0.406 -2.819 2.356 1.00 0.00 N ATOM 667 CA TYR A 186 -0.534 -2.277 1.337 1.00 0.00 C ATOM 668 C TYR A 186 -1.736 -3.211 1.218 1.00 0.00 C ATOM 669 O TYR A 186 -2.853 -2.781 1.017 1.00 0.00 O ATOM 670 CB TYR A 186 0.173 -2.196 -0.017 1.00 0.00 C ATOM 671 CG TYR A 186 -0.833 -1.833 -1.082 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.612 -2.834 -1.676 1.00 0.00 C ATOM 673 CD2 TYR A 186 -0.988 -0.497 -1.474 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.549 -2.500 -2.663 1.00 0.00 C ATOM 675 CE2 TYR A 186 -1.926 -0.162 -2.461 1.00 0.00 C ATOM 676 CZ TYR A 186 -2.706 -1.163 -3.055 1.00 0.00 C ATOM 677 OH TYR A 186 -3.628 -0.833 -4.026 1.00 0.00 O ATOM 0 H TYR A 186 1.293 -3.163 1.988 1.00 0.00 H new ATOM 0 HA TYR A 186 -0.864 -1.283 1.637 1.00 0.00 H new ATOM 0 HB2 TYR A 186 0.968 -1.451 0.018 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.642 -3.151 -0.253 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.491 -3.864 -1.373 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.386 0.274 -1.017 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.150 -3.272 -3.121 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -2.047 0.868 -2.763 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.610 0.135 -4.178 1.00 0.00 H new ATOM 687 N ASP A 187 -1.510 -4.489 1.335 1.00 0.00 N ATOM 688 CA ASP A 187 -2.627 -5.461 1.227 1.00 0.00 C ATOM 689 C ASP A 187 -3.614 -5.245 2.371 1.00 0.00 C ATOM 690 O ASP A 187 -4.803 -5.106 2.164 1.00 0.00 O ATOM 691 CB ASP A 187 -2.059 -6.875 1.307 1.00 0.00 C ATOM 692 CG ASP A 187 -0.867 -7.003 0.358 1.00 0.00 C ATOM 693 OD1 ASP A 187 -0.727 -6.152 -0.505 1.00 0.00 O ATOM 694 OD2 ASP A 187 -0.112 -7.949 0.510 1.00 0.00 O ATOM 0 H ASP A 187 -0.593 -4.902 1.502 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.145 -5.320 0.279 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.749 -7.096 2.328 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -2.827 -7.602 1.043 1.00 0.00 H new ATOM 699 N ARG A 188 -3.129 -5.224 3.577 1.00 0.00 N ATOM 700 CA ARG A 188 -4.035 -5.023 4.741 1.00 0.00 C ATOM 701 C ARG A 188 -4.805 -3.714 4.569 1.00 0.00 C ATOM 702 O ARG A 188 -5.967 -3.616 4.912 1.00 0.00 O ATOM 703 CB ARG A 188 -3.210 -4.966 6.029 1.00 0.00 C ATOM 704 CG ARG A 188 -4.148 -4.967 7.237 1.00 0.00 C ATOM 705 CD ARG A 188 -3.354 -5.303 8.499 1.00 0.00 C ATOM 706 NE ARG A 188 -4.220 -6.063 9.444 1.00 0.00 N ATOM 707 CZ ARG A 188 -5.406 -5.611 9.747 1.00 0.00 C ATOM 708 NH1 ARG A 188 -5.539 -4.692 10.664 1.00 0.00 N ATOM 709 NH2 ARG A 188 -6.459 -6.080 9.135 1.00 0.00 N ATOM 0 H ARG A 188 -2.142 -5.337 3.809 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.739 -5.853 4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -2.535 -5.820 6.079 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -2.591 -4.069 6.037 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -4.623 -3.992 7.343 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -4.945 -5.696 7.091 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -2.474 -5.892 8.242 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -2.998 -4.388 8.972 1.00 0.00 H new ATOM 0 HE ARG A 188 -3.886 -6.935 9.853 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -4.716 -4.327 11.144 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -6.466 -4.338 10.901 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -6.355 -6.800 8.420 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -7.386 -5.727 9.372 1.00 0.00 H new ATOM 723 N ALA A 189 -4.170 -2.709 4.036 1.00 0.00 N ATOM 724 CA ALA A 189 -4.869 -1.409 3.841 1.00 0.00 C ATOM 725 C ALA A 189 -5.766 -1.500 2.604 1.00 0.00 C ATOM 726 O ALA A 189 -6.698 -0.740 2.442 1.00 0.00 O ATOM 727 CB ALA A 189 -3.837 -0.298 3.644 1.00 0.00 C ATOM 0 H ALA A 189 -3.198 -2.731 3.727 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.476 -1.185 4.718 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.349 0.653 3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.196 -0.237 4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.229 -0.518 2.767 1.00 0.00 H new ATOM 733 N ALA A 190 -5.488 -2.431 1.733 1.00 0.00 N ATOM 734 CA ALA A 190 -6.321 -2.580 0.508 1.00 0.00 C ATOM 735 C ALA A 190 -7.490 -3.520 0.803 1.00 0.00 C ATOM 736 O ALA A 190 -8.422 -3.628 0.033 1.00 0.00 O ATOM 737 CB ALA A 190 -5.470 -3.165 -0.622 1.00 0.00 C ATOM 0 H ALA A 190 -4.719 -3.095 1.818 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.702 -1.605 0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -6.081 -3.274 -1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.634 -2.497 -0.831 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -5.088 -4.141 -0.322 1.00 0.00 H new ATOM 743 N PHE A 191 -7.449 -4.200 1.916 1.00 0.00 N ATOM 744 CA PHE A 191 -8.560 -5.129 2.264 1.00 0.00 C ATOM 745 C PHE A 191 -9.463 -4.463 3.299 1.00 0.00 C ATOM 746 O PHE A 191 -10.639 -4.751 3.391 1.00 0.00 O ATOM 747 CB PHE A 191 -7.984 -6.421 2.844 1.00 0.00 C ATOM 748 CG PHE A 191 -9.001 -7.528 2.712 1.00 0.00 C ATOM 749 CD1 PHE A 191 -10.013 -7.666 3.671 1.00 0.00 C ATOM 750 CD2 PHE A 191 -8.933 -8.417 1.632 1.00 0.00 C ATOM 751 CE1 PHE A 191 -10.958 -8.693 3.549 1.00 0.00 C ATOM 752 CE2 PHE A 191 -9.878 -9.444 1.511 1.00 0.00 C ATOM 753 CZ PHE A 191 -10.890 -9.582 2.470 1.00 0.00 C ATOM 0 H PHE A 191 -6.693 -4.152 2.600 1.00 0.00 H new ATOM 0 HA PHE A 191 -9.137 -5.362 1.369 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -7.067 -6.691 2.320 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.722 -6.277 3.892 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -10.065 -6.981 4.504 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -8.153 -8.311 0.893 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -11.739 -8.799 4.287 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -9.826 -10.130 0.678 1.00 0.00 H new ATOM 0 HZ PHE A 191 -11.618 -10.374 2.377 1.00 0.00 H new ATOM 763 N ARG A 192 -8.923 -3.568 4.070 1.00 0.00 N ATOM 764 CA ARG A 192 -9.746 -2.869 5.089 1.00 0.00 C ATOM 765 C ARG A 192 -10.545 -1.773 4.390 1.00 0.00 C ATOM 766 O ARG A 192 -11.704 -1.543 4.676 1.00 0.00 O ATOM 767 CB ARG A 192 -8.827 -2.235 6.130 1.00 0.00 C ATOM 768 CG ARG A 192 -9.452 -2.366 7.519 1.00 0.00 C ATOM 769 CD ARG A 192 -8.496 -3.131 8.435 1.00 0.00 C ATOM 770 NE ARG A 192 -8.483 -2.496 9.781 1.00 0.00 N ATOM 771 CZ ARG A 192 -9.606 -2.221 10.382 1.00 0.00 C ATOM 772 NH1 ARG A 192 -10.427 -3.184 10.700 1.00 0.00 N ATOM 773 NH2 ARG A 192 -9.910 -0.984 10.666 1.00 0.00 N ATOM 0 H ARG A 192 -7.942 -3.289 4.039 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.418 -3.573 5.580 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -7.852 -2.722 6.112 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -8.663 -1.184 5.892 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -9.657 -1.378 7.932 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -10.406 -2.889 7.453 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -8.808 -4.172 8.516 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -7.492 -3.131 8.012 1.00 0.00 H new ATOM 0 HE ARG A 192 -7.595 -2.276 10.233 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -10.189 -4.151 10.478 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -11.306 -2.970 11.170 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -9.268 -0.231 10.417 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -10.789 -0.770 11.136 1.00 0.00 H new ATOM 787 N MET A 193 -9.916 -1.097 3.473 1.00 0.00 N ATOM 788 CA MET A 193 -10.598 -0.001 2.732 1.00 0.00 C ATOM 789 C MET A 193 -11.515 -0.583 1.657 1.00 0.00 C ATOM 790 O MET A 193 -12.639 -0.152 1.486 1.00 0.00 O ATOM 791 CB MET A 193 -9.545 0.879 2.064 1.00 0.00 C ATOM 792 CG MET A 193 -9.147 2.015 3.010 1.00 0.00 C ATOM 793 SD MET A 193 -7.606 2.767 2.432 1.00 0.00 S ATOM 794 CE MET A 193 -7.999 2.767 0.665 1.00 0.00 C ATOM 0 H MET A 193 -8.946 -1.259 3.201 1.00 0.00 H new ATOM 0 HA MET A 193 -11.193 0.586 3.431 1.00 0.00 H new ATOM 0 HB2 MET A 193 -8.669 0.283 1.807 1.00 0.00 H new ATOM 0 HB3 MET A 193 -9.937 1.288 1.133 1.00 0.00 H new ATOM 0 HG2 MET A 193 -9.938 2.764 3.049 1.00 0.00 H new ATOM 0 HG3 MET A 193 -9.020 1.632 4.023 1.00 0.00 H new ATOM 0 HE1 MET A 193 -7.275 3.382 0.131 1.00 0.00 H new ATOM 0 HE2 MET A 193 -7.960 1.747 0.284 1.00 0.00 H new ATOM 0 HE3 MET A 193 -9.000 3.172 0.515 1.00 0.00 H new ATOM 804 N ARG A 194 -11.047 -1.555 0.924 1.00 0.00 N ATOM 805 CA ARG A 194 -11.900 -2.153 -0.142 1.00 0.00 C ATOM 806 C ARG A 194 -12.811 -3.203 0.484 1.00 0.00 C ATOM 807 O ARG A 194 -13.961 -3.343 0.121 1.00 0.00 O ATOM 808 CB ARG A 194 -11.011 -2.807 -1.202 1.00 0.00 C ATOM 809 CG ARG A 194 -10.160 -1.736 -1.888 1.00 0.00 C ATOM 810 CD ARG A 194 -9.097 -2.407 -2.761 1.00 0.00 C ATOM 811 NE ARG A 194 -7.927 -1.494 -2.905 1.00 0.00 N ATOM 812 CZ ARG A 194 -7.376 -1.318 -4.076 1.00 0.00 C ATOM 813 NH1 ARG A 194 -7.083 -2.348 -4.821 1.00 0.00 N ATOM 814 NH2 ARG A 194 -7.118 -0.111 -4.500 1.00 0.00 N ATOM 0 H ARG A 194 -10.115 -1.960 1.016 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.503 -1.377 -0.612 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.368 -3.556 -0.740 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.626 -3.324 -1.938 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -10.792 -1.091 -2.498 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -9.684 -1.101 -1.141 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -8.784 -3.350 -2.312 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -9.511 -2.643 -3.741 1.00 0.00 H new ATOM 0 HE ARG A 194 -7.557 -1.007 -2.089 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -7.284 -3.291 -4.489 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -6.653 -2.210 -5.735 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -7.347 0.694 -3.917 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -6.688 0.027 -5.414 1.00 0.00 H new ATOM 828 N GLY A 195 -12.301 -3.932 1.432 1.00 0.00 N ATOM 829 CA GLY A 195 -13.126 -4.976 2.105 1.00 0.00 C ATOM 830 C GLY A 195 -13.634 -5.987 1.074 1.00 0.00 C ATOM 831 O GLY A 195 -13.932 -5.647 -0.053 1.00 0.00 O ATOM 0 H GLY A 195 -11.343 -3.852 1.774 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -12.533 -5.486 2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -13.969 -4.511 2.617 1.00 0.00 H new ATOM 835 N SER A 196 -13.738 -7.230 1.456 1.00 0.00 N ATOM 836 CA SER A 196 -14.231 -8.265 0.506 1.00 0.00 C ATOM 837 C SER A 196 -13.265 -8.394 -0.675 1.00 0.00 C ATOM 838 O SER A 196 -12.892 -7.420 -1.297 1.00 0.00 O ATOM 839 CB SER A 196 -15.614 -7.861 -0.010 1.00 0.00 C ATOM 840 OG SER A 196 -16.385 -7.347 1.068 1.00 0.00 O ATOM 0 H SER A 196 -13.502 -7.574 2.387 1.00 0.00 H new ATOM 0 HA SER A 196 -14.295 -9.223 1.021 1.00 0.00 H new ATOM 0 HB2 SER A 196 -15.517 -7.110 -0.794 1.00 0.00 H new ATOM 0 HB3 SER A 196 -16.115 -8.721 -0.453 1.00 0.00 H new ATOM 0 HG SER A 196 -17.271 -7.086 0.741 1.00 0.00 H new ATOM 846 N ARG A 197 -12.866 -9.596 -0.991 1.00 0.00 N ATOM 847 CA ARG A 197 -11.932 -9.804 -2.135 1.00 0.00 C ATOM 848 C ARG A 197 -10.807 -8.764 -2.089 1.00 0.00 C ATOM 849 O ARG A 197 -9.801 -8.956 -1.436 1.00 0.00 O ATOM 850 CB ARG A 197 -12.706 -9.668 -3.448 1.00 0.00 C ATOM 851 CG ARG A 197 -13.729 -10.802 -3.557 1.00 0.00 C ATOM 852 CD ARG A 197 -13.248 -11.827 -4.586 1.00 0.00 C ATOM 853 NE ARG A 197 -14.351 -12.128 -5.542 1.00 0.00 N ATOM 854 CZ ARG A 197 -14.098 -12.232 -6.818 1.00 0.00 C ATOM 855 NH1 ARG A 197 -12.977 -12.767 -7.219 1.00 0.00 N ATOM 856 NH2 ARG A 197 -14.966 -11.803 -7.693 1.00 0.00 N ATOM 0 H ARG A 197 -13.148 -10.447 -0.504 1.00 0.00 H new ATOM 0 HA ARG A 197 -11.495 -10.800 -2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -13.211 -8.703 -3.486 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -12.018 -9.702 -4.293 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -13.862 -11.280 -2.587 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -14.700 -10.403 -3.852 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -12.382 -11.440 -5.123 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -12.929 -12.740 -4.084 1.00 0.00 H new ATOM 0 HE ARG A 197 -15.303 -12.253 -5.199 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -12.299 -13.104 -6.535 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -12.779 -12.849 -8.216 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -15.843 -11.386 -7.380 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -14.768 -11.884 -8.690 1.00 0.00 H new ATOM 870 N ALA A 198 -10.964 -7.667 -2.780 1.00 0.00 N ATOM 871 CA ALA A 198 -9.899 -6.627 -2.775 1.00 0.00 C ATOM 872 C ALA A 198 -8.653 -7.174 -3.478 1.00 0.00 C ATOM 873 O ALA A 198 -8.341 -8.344 -3.386 1.00 0.00 O ATOM 874 CB ALA A 198 -9.553 -6.260 -1.332 1.00 0.00 C ATOM 0 H ALA A 198 -11.783 -7.448 -3.347 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.252 -5.739 -3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.773 -5.498 -1.327 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.441 -5.873 -0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -9.198 -7.146 -0.806 1.00 0.00 H new ATOM 880 N LEU A 199 -7.940 -6.337 -4.182 1.00 0.00 N ATOM 881 CA LEU A 199 -6.718 -6.812 -4.890 1.00 0.00 C ATOM 882 C LEU A 199 -5.476 -6.421 -4.089 1.00 0.00 C ATOM 883 O LEU A 199 -5.195 -5.256 -3.887 1.00 0.00 O ATOM 884 CB LEU A 199 -6.653 -6.168 -6.276 1.00 0.00 C ATOM 885 CG LEU A 199 -7.990 -6.366 -6.993 1.00 0.00 C ATOM 886 CD1 LEU A 199 -8.561 -5.005 -7.394 1.00 0.00 C ATOM 887 CD2 LEU A 199 -7.774 -7.217 -8.246 1.00 0.00 C ATOM 0 H LEU A 199 -8.151 -5.346 -4.297 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.756 -7.897 -4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -6.431 -5.105 -6.185 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.846 -6.613 -6.858 1.00 0.00 H new ATOM 0 HG LEU A 199 -8.689 -6.870 -6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.513 -5.146 -7.905 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -8.714 -4.398 -6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -7.863 -4.500 -8.061 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -8.726 -7.359 -8.758 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -7.075 -6.712 -8.913 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -7.367 -8.187 -7.961 1.00 0.00 H new ATOM 899 N LEU A 200 -4.728 -7.388 -3.628 1.00 0.00 N ATOM 900 CA LEU A 200 -3.502 -7.069 -2.840 1.00 0.00 C ATOM 901 C LEU A 200 -2.287 -7.712 -3.508 1.00 0.00 C ATOM 902 O LEU A 200 -2.402 -8.694 -4.214 1.00 0.00 O ATOM 903 CB LEU A 200 -3.618 -7.616 -1.407 1.00 0.00 C ATOM 904 CG LEU A 200 -4.943 -8.358 -1.208 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.843 -9.257 0.026 1.00 0.00 C ATOM 906 CD2 LEU A 200 -6.067 -7.340 -1.003 1.00 0.00 C ATOM 0 H LEU A 200 -4.912 -8.382 -3.763 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.390 -5.985 -2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.786 -8.290 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.546 -6.795 -0.694 1.00 0.00 H new ATOM 0 HG LEU A 200 -5.155 -8.967 -2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.786 -9.786 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -4.039 -9.980 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.633 -8.647 0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -7.012 -7.865 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.853 -6.734 -0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -6.138 -6.695 -1.879 1.00 0.00 H new ATOM 918 N ASN A 201 -1.120 -7.180 -3.272 1.00 0.00 N ATOM 919 CA ASN A 201 0.099 -7.790 -3.880 1.00 0.00 C ATOM 920 C ASN A 201 0.231 -9.203 -3.317 1.00 0.00 C ATOM 921 O ASN A 201 0.689 -10.114 -3.978 1.00 0.00 O ATOM 922 CB ASN A 201 1.355 -6.983 -3.519 1.00 0.00 C ATOM 923 CG ASN A 201 0.984 -5.539 -3.170 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.334 -5.058 -2.009 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.372 -4.846 -3.958 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.956 -6.358 -2.691 1.00 0.00 H new ATOM 0 HA ASN A 201 0.005 -7.799 -4.966 1.00 0.00 H new ATOM 0 HB2 ASN A 201 1.863 -7.448 -2.674 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.054 -6.993 -4.356 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.099 -5.224 -4.865 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.131 -3.886 -3.712 1.00 0.00 H new ATOM 932 N PHE A 202 -0.191 -9.384 -2.097 1.00 0.00 N ATOM 933 CA PHE A 202 -0.126 -10.725 -1.463 1.00 0.00 C ATOM 934 C PHE A 202 -1.548 -11.137 -1.064 1.00 0.00 C ATOM 935 O PHE A 202 -2.040 -10.729 -0.031 1.00 0.00 O ATOM 936 CB PHE A 202 0.756 -10.662 -0.212 1.00 0.00 C ATOM 937 CG PHE A 202 2.034 -9.928 -0.523 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.614 -10.031 -1.793 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.647 -9.148 0.466 1.00 0.00 C ATOM 940 CE1 PHE A 202 3.805 -9.354 -2.075 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.839 -8.472 0.186 1.00 0.00 C ATOM 942 CZ PHE A 202 4.419 -8.573 -1.086 1.00 0.00 C ATOM 0 H PHE A 202 -0.582 -8.650 -1.507 1.00 0.00 H new ATOM 0 HA PHE A 202 0.298 -11.449 -2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.223 -10.157 0.594 1.00 0.00 H new ATOM 0 HB3 PHE A 202 0.981 -11.670 0.136 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.142 -10.633 -2.555 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.199 -9.069 1.445 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.252 -9.433 -3.055 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.312 -7.872 0.950 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.338 -8.050 -1.304 1.00 0.00 H new ATOM 952 N PRO A 203 -2.171 -11.924 -1.904 1.00 0.00 N ATOM 953 CA PRO A 203 -3.549 -12.393 -1.671 1.00 0.00 C ATOM 954 C PRO A 203 -3.574 -13.475 -0.587 1.00 0.00 C ATOM 955 O PRO A 203 -3.166 -14.598 -0.805 1.00 0.00 O ATOM 956 CB PRO A 203 -3.970 -12.960 -3.031 1.00 0.00 C ATOM 957 CG PRO A 203 -2.662 -13.292 -3.787 1.00 0.00 C ATOM 958 CD PRO A 203 -1.561 -12.424 -3.152 1.00 0.00 C ATOM 0 HA PRO A 203 -4.217 -11.606 -1.320 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -4.584 -13.852 -2.907 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.567 -12.236 -3.586 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -2.421 -14.351 -3.699 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -2.762 -13.075 -4.851 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -0.661 -13.006 -2.951 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.270 -11.605 -3.810 1.00 0.00 H new