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 -77:sc= 0.66 USER MOD Single : A 151 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) 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= -1.99! C(o=-2!,f=-2.6!) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot -170:sc= -3.2! USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 MET CE :methyl -164:sc= -1.73 (180deg=-2.79!) USER MOD Single : A 196 SER OG : rot 180:sc= 0 USER MOD Single : A 201 ASN :FLIP amide:sc= -3.07 F(o=-8.6!,f=-3.1) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.674 -3.919 -6.590 1.00 0.00 N ATOM 41 CA TYR A 146 4.390 -3.992 -5.840 1.00 0.00 C ATOM 42 C TYR A 146 3.514 -2.794 -6.210 1.00 0.00 C ATOM 43 O TYR A 146 3.972 -1.670 -6.260 1.00 0.00 O ATOM 44 CB TYR A 146 4.678 -3.963 -4.338 1.00 0.00 C ATOM 45 CG TYR A 146 5.302 -5.266 -3.912 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.815 -6.475 -4.425 1.00 0.00 C ATOM 47 CD2 TYR A 146 6.362 -5.270 -2.995 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.385 -7.687 -4.023 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.932 -6.483 -2.592 1.00 0.00 C ATOM 50 CZ TYR A 146 6.444 -7.693 -3.105 1.00 0.00 C ATOM 51 OH TYR A 146 7.006 -8.888 -2.707 1.00 0.00 O ATOM 0 HA TYR A 146 3.871 -4.916 -6.096 1.00 0.00 H new ATOM 0 HB2 TYR A 146 5.347 -3.135 -4.103 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.754 -3.794 -3.785 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.998 -6.471 -5.132 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.738 -4.338 -2.600 1.00 0.00 H new ATOM 0 HE1 TYR A 146 5.009 -8.618 -4.420 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.749 -6.487 -1.885 1.00 0.00 H new ATOM 0 HH TYR A 146 6.415 -9.328 -2.061 1.00 0.00 H new ATOM 61 N ARG A 147 2.255 -3.023 -6.465 1.00 0.00 N ATOM 62 CA ARG A 147 1.354 -1.894 -6.826 1.00 0.00 C ATOM 63 C ARG A 147 1.040 -1.080 -5.570 1.00 0.00 C ATOM 64 O ARG A 147 0.183 -1.435 -4.785 1.00 0.00 O ATOM 65 CB ARG A 147 0.055 -2.445 -7.419 1.00 0.00 C ATOM 66 CG ARG A 147 0.368 -3.248 -8.684 1.00 0.00 C ATOM 67 CD ARG A 147 0.269 -4.743 -8.379 1.00 0.00 C ATOM 68 NE ARG A 147 -0.232 -5.465 -9.583 1.00 0.00 N ATOM 69 CZ ARG A 147 -1.461 -5.288 -9.987 1.00 0.00 C ATOM 70 NH1 ARG A 147 -2.444 -5.358 -9.133 1.00 0.00 N ATOM 71 NH2 ARG A 147 -1.705 -5.044 -11.245 1.00 0.00 N ATOM 0 H ARG A 147 1.813 -3.942 -6.439 1.00 0.00 H new ATOM 0 HA ARG A 147 1.843 -1.256 -7.562 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.450 -3.079 -6.690 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.625 -1.626 -7.655 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.329 -2.981 -9.478 1.00 0.00 H new ATOM 0 HG3 ARG A 147 1.368 -3.005 -9.043 1.00 0.00 H new ATOM 0 HD2 ARG A 147 1.246 -5.131 -8.090 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -0.403 -4.909 -7.537 1.00 0.00 H new ATOM 0 HE ARG A 147 0.386 -6.098 -10.092 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -2.253 -5.551 -8.150 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -3.404 -5.220 -9.448 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -0.936 -4.992 -11.913 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -2.665 -4.906 -11.561 1.00 0.00 H new ATOM 85 N GLY A 148 1.733 0.009 -5.372 1.00 0.00 N ATOM 86 CA GLY A 148 1.480 0.845 -4.164 1.00 0.00 C ATOM 87 C GLY A 148 2.804 1.096 -3.440 1.00 0.00 C ATOM 88 O GLY A 148 3.005 2.128 -2.831 1.00 0.00 O ATOM 0 H GLY A 148 2.463 0.355 -5.994 1.00 0.00 H new ATOM 0 HA2 GLY A 148 1.024 1.792 -4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.778 0.342 -3.499 1.00 0.00 H new ATOM 92 N VAL A 149 3.710 0.159 -3.505 1.00 0.00 N ATOM 93 CA VAL A 149 5.025 0.337 -2.826 1.00 0.00 C ATOM 94 C VAL A 149 5.920 1.226 -3.692 1.00 0.00 C ATOM 95 O VAL A 149 5.986 1.072 -4.894 1.00 0.00 O ATOM 96 CB VAL A 149 5.679 -1.035 -2.635 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.976 -0.889 -1.838 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.719 -1.949 -1.872 1.00 0.00 C ATOM 0 H VAL A 149 3.596 -0.725 -4.001 1.00 0.00 H new ATOM 0 HA VAL A 149 4.884 0.808 -1.853 1.00 0.00 H new ATOM 0 HB VAL A 149 5.904 -1.464 -3.611 1.00 0.00 H new ATOM 0 HG11 VAL A 149 7.435 -1.869 -1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.663 -0.236 -2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.756 -0.457 -0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 149 5.180 -2.927 -1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 149 4.497 -1.512 -0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.795 -2.061 -2.439 1.00 0.00 H new ATOM 108 N ARG A 150 6.607 2.159 -3.090 1.00 0.00 N ATOM 109 CA ARG A 150 7.491 3.060 -3.879 1.00 0.00 C ATOM 110 C ARG A 150 8.951 2.707 -3.596 1.00 0.00 C ATOM 111 O ARG A 150 9.565 3.242 -2.693 1.00 0.00 O ATOM 112 CB ARG A 150 7.233 4.513 -3.474 1.00 0.00 C ATOM 113 CG ARG A 150 6.614 5.270 -4.652 1.00 0.00 C ATOM 114 CD ARG A 150 6.333 6.717 -4.241 1.00 0.00 C ATOM 115 NE ARG A 150 7.531 7.557 -4.525 1.00 0.00 N ATOM 116 CZ ARG A 150 7.609 8.225 -5.644 1.00 0.00 C ATOM 117 NH1 ARG A 150 7.945 7.615 -6.748 1.00 0.00 N ATOM 118 NH2 ARG A 150 7.353 9.504 -5.658 1.00 0.00 N ATOM 0 H ARG A 150 6.593 2.335 -2.085 1.00 0.00 H new ATOM 0 HA ARG A 150 7.282 2.937 -4.942 1.00 0.00 H new ATOM 0 HB2 ARG A 150 6.565 4.549 -2.614 1.00 0.00 H new ATOM 0 HB3 ARG A 150 8.166 4.989 -3.172 1.00 0.00 H new ATOM 0 HG2 ARG A 150 7.290 5.249 -5.507 1.00 0.00 H new ATOM 0 HG3 ARG A 150 5.690 4.784 -4.965 1.00 0.00 H new ATOM 0 HD2 ARG A 150 5.470 7.100 -4.786 1.00 0.00 H new ATOM 0 HD3 ARG A 150 6.086 6.763 -3.180 1.00 0.00 H new ATOM 0 HE ARG A 150 8.290 7.610 -3.845 1.00 0.00 H new ATOM 0 HH11 ARG A 150 8.147 6.615 -6.737 1.00 0.00 H new ATOM 0 HH12 ARG A 150 8.006 8.138 -7.622 1.00 0.00 H new ATOM 0 HH21 ARG A 150 7.092 9.981 -4.795 1.00 0.00 H new ATOM 0 HH22 ARG A 150 7.414 10.027 -6.532 1.00 0.00 H new ATOM 132 N GLN A 151 9.516 1.812 -4.358 1.00 0.00 N ATOM 133 CA GLN A 151 10.936 1.433 -4.123 1.00 0.00 C ATOM 134 C GLN A 151 11.822 2.669 -4.261 1.00 0.00 C ATOM 135 O GLN A 151 11.723 3.413 -5.218 1.00 0.00 O ATOM 136 CB GLN A 151 11.368 0.385 -5.147 1.00 0.00 C ATOM 137 CG GLN A 151 11.299 0.983 -6.554 1.00 0.00 C ATOM 138 CD GLN A 151 11.747 -0.064 -7.576 1.00 0.00 C ATOM 139 OE1 GLN A 151 11.410 -1.313 -7.403 1.00 0.00 O flip ATOM 140 NE2 GLN A 151 12.410 0.259 -8.543 1.00 0.00 N flip ATOM 0 H GLN A 151 9.057 1.329 -5.130 1.00 0.00 H new ATOM 0 HA GLN A 151 11.035 1.020 -3.119 1.00 0.00 H new ATOM 0 HB2 GLN A 151 12.383 0.049 -4.933 1.00 0.00 H new ATOM 0 HB3 GLN A 151 10.722 -0.491 -5.081 1.00 0.00 H new ATOM 0 HG2 GLN A 151 10.282 1.308 -6.773 1.00 0.00 H new ATOM 0 HG3 GLN A 151 11.937 1.865 -6.618 1.00 0.00 H new ATOM 0 HE21 GLN A 151 12.673 1.235 -8.678 1.00 0.00 H new ATOM 0 HE22 GLN A 151 12.703 -0.446 -9.219 1.00 0.00 H new ATOM 149 N ARG A 152 12.686 2.893 -3.315 1.00 0.00 N ATOM 150 CA ARG A 152 13.580 4.082 -3.391 1.00 0.00 C ATOM 151 C ARG A 152 15.020 3.623 -3.640 1.00 0.00 C ATOM 152 O ARG A 152 15.358 2.483 -3.387 1.00 0.00 O ATOM 153 CB ARG A 152 13.506 4.864 -2.078 1.00 0.00 C ATOM 154 CG ARG A 152 12.236 5.717 -2.066 1.00 0.00 C ATOM 155 CD ARG A 152 12.613 7.196 -1.945 1.00 0.00 C ATOM 156 NE ARG A 152 12.707 7.799 -3.304 1.00 0.00 N ATOM 157 CZ ARG A 152 12.892 9.084 -3.437 1.00 0.00 C ATOM 158 NH1 ARG A 152 11.868 9.892 -3.477 1.00 0.00 N ATOM 159 NH2 ARG A 152 14.103 9.561 -3.531 1.00 0.00 N ATOM 0 H ARG A 152 12.813 2.305 -2.491 1.00 0.00 H new ATOM 0 HA ARG A 152 13.260 4.726 -4.210 1.00 0.00 H new ATOM 0 HB2 ARG A 152 13.504 4.177 -1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 152 14.385 5.499 -1.970 1.00 0.00 H new ATOM 0 HG2 ARG A 152 11.665 5.550 -2.979 1.00 0.00 H new ATOM 0 HG3 ARG A 152 11.597 5.425 -1.233 1.00 0.00 H new ATOM 0 HD2 ARG A 152 11.867 7.725 -1.352 1.00 0.00 H new ATOM 0 HD3 ARG A 152 13.565 7.298 -1.424 1.00 0.00 H new ATOM 0 HE ARG A 152 12.627 7.207 -4.131 1.00 0.00 H new ATOM 0 HH11 ARG A 152 10.921 9.519 -3.404 1.00 0.00 H new ATOM 0 HH12 ARG A 152 12.014 10.896 -3.581 1.00 0.00 H new ATOM 0 HH21 ARG A 152 14.904 8.930 -3.501 1.00 0.00 H new ATOM 0 HH22 ARG A 152 14.249 10.565 -3.635 1.00 0.00 H new ATOM 173 N PRO A 153 15.825 4.528 -4.136 1.00 0.00 N ATOM 174 CA PRO A 153 17.239 4.253 -4.443 1.00 0.00 C ATOM 175 C PRO A 153 18.082 4.283 -3.165 1.00 0.00 C ATOM 176 O PRO A 153 19.274 4.051 -3.191 1.00 0.00 O ATOM 177 CB PRO A 153 17.631 5.400 -5.379 1.00 0.00 C ATOM 178 CG PRO A 153 16.631 6.548 -5.106 1.00 0.00 C ATOM 179 CD PRO A 153 15.397 5.910 -4.438 1.00 0.00 C ATOM 0 HA PRO A 153 17.397 3.270 -4.887 1.00 0.00 H new ATOM 0 HB2 PRO A 153 18.655 5.723 -5.189 1.00 0.00 H new ATOM 0 HB3 PRO A 153 17.584 5.084 -6.421 1.00 0.00 H new ATOM 0 HG2 PRO A 153 17.076 7.303 -4.457 1.00 0.00 H new ATOM 0 HG3 PRO A 153 16.354 7.049 -6.034 1.00 0.00 H new ATOM 0 HD2 PRO A 153 15.112 6.446 -3.533 1.00 0.00 H new ATOM 0 HD3 PRO A 153 14.533 5.924 -5.102 1.00 0.00 H new ATOM 187 N TRP A 154 17.473 4.567 -2.047 1.00 0.00 N ATOM 188 CA TRP A 154 18.243 4.610 -0.772 1.00 0.00 C ATOM 189 C TRP A 154 18.058 3.290 -0.019 1.00 0.00 C ATOM 190 O TRP A 154 18.896 2.890 0.764 1.00 0.00 O ATOM 191 CB TRP A 154 17.734 5.764 0.093 1.00 0.00 C ATOM 192 CG TRP A 154 18.800 6.806 0.211 1.00 0.00 C ATOM 193 CD1 TRP A 154 19.477 7.099 1.345 1.00 0.00 C ATOM 194 CD2 TRP A 154 19.321 7.697 -0.819 1.00 0.00 C ATOM 195 NE1 TRP A 154 20.380 8.111 1.078 1.00 0.00 N ATOM 196 CE2 TRP A 154 20.322 8.515 -0.241 1.00 0.00 C ATOM 197 CE3 TRP A 154 19.025 7.874 -2.184 1.00 0.00 C ATOM 198 CZ2 TRP A 154 21.005 9.474 -0.991 1.00 0.00 C ATOM 199 CZ3 TRP A 154 19.710 8.838 -2.943 1.00 0.00 C ATOM 200 CH2 TRP A 154 20.698 9.635 -2.347 1.00 0.00 C ATOM 0 H TRP A 154 16.477 4.771 -1.961 1.00 0.00 H new ATOM 0 HA TRP A 154 19.300 4.759 -0.992 1.00 0.00 H new ATOM 0 HB2 TRP A 154 16.836 6.196 -0.349 1.00 0.00 H new ATOM 0 HB3 TRP A 154 17.458 5.397 1.082 1.00 0.00 H new ATOM 0 HD1 TRP A 154 19.335 6.620 2.303 1.00 0.00 H new ATOM 0 HE1 TRP A 154 21.012 8.511 1.771 1.00 0.00 H new ATOM 0 HE3 TRP A 154 18.266 7.264 -2.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 21.764 10.087 -0.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 19.475 8.966 -3.989 1.00 0.00 H new ATOM 0 HH2 TRP A 154 21.222 10.374 -2.935 1.00 0.00 H new ATOM 211 N GLY A 155 16.970 2.612 -0.252 1.00 0.00 N ATOM 212 CA GLY A 155 16.735 1.319 0.451 1.00 0.00 C ATOM 213 C GLY A 155 15.449 1.408 1.272 1.00 0.00 C ATOM 214 O GLY A 155 15.372 0.913 2.379 1.00 0.00 O ATOM 0 H GLY A 155 16.233 2.896 -0.898 1.00 0.00 H new ATOM 0 HA2 GLY A 155 16.660 0.508 -0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.579 1.089 1.102 1.00 0.00 H new ATOM 218 N LYS A 156 14.437 2.033 0.739 1.00 0.00 N ATOM 219 CA LYS A 156 13.156 2.149 1.488 1.00 0.00 C ATOM 220 C LYS A 156 11.999 1.714 0.587 1.00 0.00 C ATOM 221 O LYS A 156 12.192 1.346 -0.554 1.00 0.00 O ATOM 222 CB LYS A 156 12.949 3.603 1.923 1.00 0.00 C ATOM 223 CG LYS A 156 14.267 4.165 2.459 1.00 0.00 C ATOM 224 CD LYS A 156 14.189 5.691 2.506 1.00 0.00 C ATOM 225 CE LYS A 156 15.593 6.269 2.690 1.00 0.00 C ATOM 226 NZ LYS A 156 15.515 7.509 3.514 1.00 0.00 N ATOM 0 H LYS A 156 14.442 2.469 -0.183 1.00 0.00 H new ATOM 0 HA LYS A 156 13.190 1.509 2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 156 12.602 4.201 1.080 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.178 3.658 2.692 1.00 0.00 H new ATOM 0 HG2 LYS A 156 14.465 3.770 3.455 1.00 0.00 H new ATOM 0 HG3 LYS A 156 15.094 3.852 1.822 1.00 0.00 H new ATOM 0 HD2 LYS A 156 13.745 6.071 1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 156 13.544 6.008 3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 156 16.239 5.537 3.175 1.00 0.00 H new ATOM 0 HE3 LYS A 156 16.036 6.492 1.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 16.469 7.903 3.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 14.913 8.208 3.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 15.109 7.283 4.444 1.00 0.00 H new ATOM 240 N PHE A 157 10.797 1.754 1.091 1.00 0.00 N ATOM 241 CA PHE A 157 9.622 1.345 0.270 1.00 0.00 C ATOM 242 C PHE A 157 8.360 1.963 0.878 1.00 0.00 C ATOM 243 O PHE A 157 7.926 1.579 1.945 1.00 0.00 O ATOM 244 CB PHE A 157 9.502 -0.181 0.281 1.00 0.00 C ATOM 245 CG PHE A 157 10.636 -0.787 -0.512 1.00 0.00 C ATOM 246 CD1 PHE A 157 10.534 -0.904 -1.904 1.00 0.00 C ATOM 247 CD2 PHE A 157 11.788 -1.239 0.145 1.00 0.00 C ATOM 248 CE1 PHE A 157 11.583 -1.471 -2.639 1.00 0.00 C ATOM 249 CE2 PHE A 157 12.837 -1.808 -0.589 1.00 0.00 C ATOM 250 CZ PHE A 157 12.735 -1.924 -1.981 1.00 0.00 C ATOM 0 H PHE A 157 10.577 2.054 2.041 1.00 0.00 H new ATOM 0 HA PHE A 157 9.745 1.688 -0.757 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.525 -0.550 1.306 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.545 -0.483 -0.145 1.00 0.00 H new ATOM 0 HD1 PHE A 157 9.646 -0.557 -2.411 1.00 0.00 H new ATOM 0 HD2 PHE A 157 11.867 -1.149 1.218 1.00 0.00 H new ATOM 0 HE1 PHE A 157 11.504 -1.559 -3.713 1.00 0.00 H new ATOM 0 HE2 PHE A 157 13.724 -2.157 -0.081 1.00 0.00 H new ATOM 0 HZ PHE A 157 13.544 -2.362 -2.547 1.00 0.00 H new ATOM 260 N ALA A 158 7.781 2.931 0.225 1.00 0.00 N ATOM 261 CA ALA A 158 6.565 3.586 0.793 1.00 0.00 C ATOM 262 C ALA A 158 5.297 2.822 0.416 1.00 0.00 C ATOM 263 O ALA A 158 5.023 2.574 -0.739 1.00 0.00 O ATOM 264 CB ALA A 158 6.459 5.013 0.257 1.00 0.00 C ATOM 0 H ALA A 158 8.094 3.298 -0.674 1.00 0.00 H new ATOM 0 HA ALA A 158 6.660 3.591 1.879 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.572 5.492 0.671 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.345 5.577 0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.384 4.989 -0.830 1.00 0.00 H new ATOM 270 N ALA A 159 4.503 2.480 1.391 1.00 0.00 N ATOM 271 CA ALA A 159 3.230 1.768 1.107 1.00 0.00 C ATOM 272 C ALA A 159 2.092 2.790 1.149 1.00 0.00 C ATOM 273 O ALA A 159 1.841 3.405 2.168 1.00 0.00 O ATOM 274 CB ALA A 159 2.996 0.690 2.168 1.00 0.00 C ATOM 0 H ALA A 159 4.684 2.665 2.378 1.00 0.00 H new ATOM 0 HA ALA A 159 3.273 1.292 0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 159 2.062 0.169 1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.821 -0.023 2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.939 1.155 3.152 1.00 0.00 H new ATOM 280 N GLU A 160 1.417 3.001 0.052 1.00 0.00 N ATOM 281 CA GLU A 160 0.315 4.008 0.047 1.00 0.00 C ATOM 282 C GLU A 160 -0.876 3.488 -0.760 1.00 0.00 C ATOM 283 O GLU A 160 -0.773 2.529 -1.498 1.00 0.00 O ATOM 284 CB GLU A 160 0.822 5.307 -0.582 1.00 0.00 C ATOM 285 CG GLU A 160 2.300 5.502 -0.235 1.00 0.00 C ATOM 286 CD GLU A 160 2.851 6.710 -0.996 1.00 0.00 C ATOM 287 OE1 GLU A 160 2.118 7.673 -1.149 1.00 0.00 O ATOM 288 OE2 GLU A 160 3.996 6.652 -1.410 1.00 0.00 O ATOM 0 H GLU A 160 1.578 2.524 -0.835 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.004 4.189 1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 160 0.693 5.274 -1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 160 0.238 6.152 -0.217 1.00 0.00 H new ATOM 0 HG2 GLU A 160 2.415 5.652 0.838 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.866 4.607 -0.494 1.00 0.00 H new ATOM 295 N ILE A 161 -2.007 4.126 -0.626 1.00 0.00 N ATOM 296 CA ILE A 161 -3.216 3.691 -1.380 1.00 0.00 C ATOM 297 C ILE A 161 -4.123 4.902 -1.606 1.00 0.00 C ATOM 298 O ILE A 161 -4.036 5.892 -0.906 1.00 0.00 O ATOM 299 CB ILE A 161 -3.966 2.624 -0.578 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.007 1.949 -1.477 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.669 3.278 0.614 1.00 0.00 C ATOM 302 CD1 ILE A 161 -5.795 0.920 -0.664 1.00 0.00 C ATOM 0 H ILE A 161 -2.146 4.936 -0.022 1.00 0.00 H new ATOM 0 HA ILE A 161 -2.921 3.270 -2.341 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.258 1.878 -0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.684 2.696 -1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -4.515 1.463 -2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -5.202 2.517 1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.929 3.759 1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -5.377 4.025 0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -6.535 0.440 -1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.112 0.167 -0.271 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.300 1.419 0.163 1.00 0.00 H new ATOM 314 N ARG A 162 -4.991 4.842 -2.579 1.00 0.00 N ATOM 315 CA ARG A 162 -5.893 5.999 -2.842 1.00 0.00 C ATOM 316 C ARG A 162 -7.340 5.608 -2.542 1.00 0.00 C ATOM 317 O ARG A 162 -7.776 4.517 -2.851 1.00 0.00 O ATOM 318 CB ARG A 162 -5.773 6.422 -4.308 1.00 0.00 C ATOM 319 CG ARG A 162 -6.809 7.507 -4.613 1.00 0.00 C ATOM 320 CD ARG A 162 -6.134 8.663 -5.352 1.00 0.00 C ATOM 321 NE ARG A 162 -6.290 9.917 -4.563 1.00 0.00 N ATOM 322 CZ ARG A 162 -5.487 10.924 -4.775 1.00 0.00 C ATOM 323 NH1 ARG A 162 -4.872 11.038 -5.920 1.00 0.00 N ATOM 324 NH2 ARG A 162 -5.302 11.819 -3.843 1.00 0.00 N ATOM 0 H ARG A 162 -5.114 4.044 -3.202 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.604 6.830 -2.199 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -4.769 6.796 -4.509 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -5.929 5.562 -4.960 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -7.615 7.095 -5.220 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -7.259 7.866 -3.687 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -5.077 8.445 -5.502 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -6.578 8.785 -6.340 1.00 0.00 H new ATOM 0 HE ARG A 162 -7.024 9.989 -3.858 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -5.019 10.340 -6.649 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -4.245 11.825 -6.086 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -5.785 11.732 -2.949 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -4.674 12.606 -4.009 1.00 0.00 H new ATOM 338 N ASP A 163 -8.090 6.492 -1.944 1.00 0.00 N ATOM 339 CA ASP A 163 -9.511 6.177 -1.627 1.00 0.00 C ATOM 340 C ASP A 163 -10.380 7.399 -1.940 1.00 0.00 C ATOM 341 O ASP A 163 -10.534 8.273 -1.112 1.00 0.00 O ATOM 342 CB ASP A 163 -9.639 5.829 -0.143 1.00 0.00 C ATOM 343 CG ASP A 163 -11.054 5.320 0.141 1.00 0.00 C ATOM 344 OD1 ASP A 163 -11.869 5.357 -0.765 1.00 0.00 O ATOM 345 OD2 ASP A 163 -11.298 4.901 1.262 1.00 0.00 O ATOM 0 H ASP A 163 -7.779 7.421 -1.661 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.840 5.329 -2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -8.906 5.069 0.128 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -9.428 6.707 0.467 1.00 0.00 H new ATOM 350 N PRO A 164 -10.920 7.420 -3.132 1.00 0.00 N ATOM 351 CA PRO A 164 -11.780 8.523 -3.594 1.00 0.00 C ATOM 352 C PRO A 164 -13.181 8.399 -2.987 1.00 0.00 C ATOM 353 O PRO A 164 -13.911 9.364 -2.881 1.00 0.00 O ATOM 354 CB PRO A 164 -11.819 8.335 -5.113 1.00 0.00 C ATOM 355 CG PRO A 164 -11.466 6.853 -5.380 1.00 0.00 C ATOM 356 CD PRO A 164 -10.724 6.347 -4.129 1.00 0.00 C ATOM 0 HA PRO A 164 -11.412 9.507 -3.303 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -12.805 8.576 -5.509 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -11.107 8.998 -5.605 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -12.367 6.266 -5.560 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -10.840 6.757 -6.267 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -11.133 5.399 -3.779 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -9.666 6.182 -4.333 1.00 0.00 H new ATOM 364 N ALA A 165 -13.560 7.215 -2.588 1.00 0.00 N ATOM 365 CA ALA A 165 -14.910 7.025 -1.990 1.00 0.00 C ATOM 366 C ALA A 165 -15.033 7.878 -0.724 1.00 0.00 C ATOM 367 O ALA A 165 -16.111 8.081 -0.204 1.00 0.00 O ATOM 368 CB ALA A 165 -15.106 5.551 -1.632 1.00 0.00 C ATOM 0 H ALA A 165 -12.991 6.371 -2.651 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.671 7.329 -2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -16.094 5.411 -1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -15.019 4.943 -2.533 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -14.345 5.247 -0.914 1.00 0.00 H new ATOM 374 N LYS A 166 -13.935 8.374 -0.223 1.00 0.00 N ATOM 375 CA LYS A 166 -13.989 9.210 1.009 1.00 0.00 C ATOM 376 C LYS A 166 -13.737 10.674 0.643 1.00 0.00 C ATOM 377 O LYS A 166 -12.902 11.335 1.229 1.00 0.00 O ATOM 378 CB LYS A 166 -12.914 8.739 1.993 1.00 0.00 C ATOM 379 CG LYS A 166 -13.098 7.247 2.277 1.00 0.00 C ATOM 380 CD LYS A 166 -14.524 6.993 2.773 1.00 0.00 C ATOM 381 CE LYS A 166 -14.488 6.030 3.961 1.00 0.00 C ATOM 382 NZ LYS A 166 -15.423 6.511 5.017 1.00 0.00 N ATOM 0 H LYS A 166 -13.003 8.236 -0.614 1.00 0.00 H new ATOM 0 HA LYS A 166 -14.972 9.114 1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -11.922 8.921 1.579 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -12.981 9.307 2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -12.907 6.668 1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -12.377 6.917 3.025 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -14.991 7.933 3.067 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -15.130 6.574 1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -14.770 5.028 3.639 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -13.475 5.964 4.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -15.400 5.857 5.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -15.134 7.460 5.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -16.389 6.552 4.633 1.00 0.00 H new ATOM 396 N ASN A 167 -14.450 11.186 -0.322 1.00 0.00 N ATOM 397 CA ASN A 167 -14.247 12.607 -0.723 1.00 0.00 C ATOM 398 C ASN A 167 -12.784 12.819 -1.113 1.00 0.00 C ATOM 399 O ASN A 167 -12.196 13.842 -0.823 1.00 0.00 O ATOM 400 CB ASN A 167 -14.601 13.524 0.449 1.00 0.00 C ATOM 401 CG ASN A 167 -14.397 14.983 0.038 1.00 0.00 C ATOM 402 OD1 ASN A 167 -13.347 15.550 0.270 1.00 0.00 O ATOM 403 ND2 ASN A 167 -15.361 15.618 -0.570 1.00 0.00 N ATOM 0 H ASN A 167 -15.163 10.683 -0.850 1.00 0.00 H new ATOM 0 HA ASN A 167 -14.889 12.841 -1.572 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -15.636 13.362 0.751 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -13.977 13.288 1.311 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -15.234 16.590 -0.851 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -16.242 15.142 -0.765 1.00 0.00 H new ATOM 410 N GLY A 168 -12.190 11.861 -1.768 1.00 0.00 N ATOM 411 CA GLY A 168 -10.765 12.009 -2.175 1.00 0.00 C ATOM 412 C GLY A 168 -9.892 12.176 -0.930 1.00 0.00 C ATOM 413 O GLY A 168 -9.769 13.256 -0.387 1.00 0.00 O ATOM 0 H GLY A 168 -12.630 10.982 -2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -10.445 11.134 -2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -10.651 12.873 -2.830 1.00 0.00 H new ATOM 417 N ALA A 169 -9.284 11.115 -0.474 1.00 0.00 N ATOM 418 CA ALA A 169 -8.419 11.214 0.736 1.00 0.00 C ATOM 419 C ALA A 169 -7.226 10.268 0.587 1.00 0.00 C ATOM 420 O ALA A 169 -7.337 9.074 0.790 1.00 0.00 O ATOM 421 CB ALA A 169 -9.231 10.826 1.975 1.00 0.00 C ATOM 0 H ALA A 169 -9.349 10.184 -0.887 1.00 0.00 H new ATOM 0 HA ALA A 169 -8.058 12.237 0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -8.600 10.898 2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -10.081 11.501 2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -9.591 9.803 1.868 1.00 0.00 H new ATOM 427 N ARG A 170 -6.085 10.791 0.229 1.00 0.00 N ATOM 428 CA ARG A 170 -4.884 9.924 0.065 1.00 0.00 C ATOM 429 C ARG A 170 -4.688 9.081 1.325 1.00 0.00 C ATOM 430 O ARG A 170 -5.289 9.333 2.350 1.00 0.00 O ATOM 431 CB ARG A 170 -3.649 10.801 -0.161 1.00 0.00 C ATOM 432 CG ARG A 170 -3.275 11.501 1.148 1.00 0.00 C ATOM 433 CD ARG A 170 -2.228 12.582 0.871 1.00 0.00 C ATOM 434 NE ARG A 170 -1.802 13.198 2.159 1.00 0.00 N ATOM 435 CZ ARG A 170 -0.835 14.076 2.175 1.00 0.00 C ATOM 436 NH1 ARG A 170 0.319 13.787 1.637 1.00 0.00 N ATOM 437 NH2 ARG A 170 -1.023 15.241 2.732 1.00 0.00 N ATOM 0 H ARG A 170 -5.933 11.782 0.043 1.00 0.00 H new ATOM 0 HA ARG A 170 -5.024 9.267 -0.793 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -2.816 10.192 -0.511 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -3.851 11.540 -0.936 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -4.161 11.946 1.600 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -2.884 10.776 1.861 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -1.368 12.149 0.360 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -2.641 13.344 0.210 1.00 0.00 H new ATOM 0 HE ARG A 170 -2.266 12.934 3.028 1.00 0.00 H new ATOM 0 HH11 ARG A 170 0.466 12.875 1.204 1.00 0.00 H new ATOM 0 HH12 ARG A 170 1.074 14.473 1.650 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -1.924 15.465 3.154 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -0.269 15.928 2.745 1.00 0.00 H new ATOM 451 N VAL A 171 -3.857 8.076 1.258 1.00 0.00 N ATOM 452 CA VAL A 171 -3.632 7.219 2.456 1.00 0.00 C ATOM 453 C VAL A 171 -2.193 6.701 2.459 1.00 0.00 C ATOM 454 O VAL A 171 -1.898 5.654 1.921 1.00 0.00 O ATOM 455 CB VAL A 171 -4.602 6.038 2.418 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.243 5.042 3.523 1.00 0.00 C ATOM 457 CG2 VAL A 171 -6.025 6.552 2.639 1.00 0.00 C ATOM 0 H VAL A 171 -3.326 7.812 0.428 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.802 7.805 3.359 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.535 5.541 1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.936 4.201 3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.226 4.680 3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.311 5.535 4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.722 5.715 2.613 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -6.087 7.046 3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.281 7.262 1.853 1.00 0.00 H new ATOM 467 N TRP A 172 -1.295 7.425 3.068 1.00 0.00 N ATOM 468 CA TRP A 172 0.123 6.970 3.113 1.00 0.00 C ATOM 469 C TRP A 172 0.317 6.051 4.319 1.00 0.00 C ATOM 470 O TRP A 172 0.427 6.500 5.443 1.00 0.00 O ATOM 471 CB TRP A 172 1.044 8.187 3.242 1.00 0.00 C ATOM 472 CG TRP A 172 2.474 7.744 3.244 1.00 0.00 C ATOM 473 CD1 TRP A 172 3.030 6.911 4.153 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.539 8.099 2.313 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.366 6.734 3.841 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.727 7.444 2.717 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.588 8.918 1.170 1.00 0.00 C ATOM 478 CZ2 TRP A 172 5.921 7.596 2.015 1.00 0.00 C ATOM 479 CZ3 TRP A 172 4.790 9.074 0.456 1.00 0.00 C ATOM 480 CH2 TRP A 172 5.955 8.414 0.880 1.00 0.00 C ATOM 0 H TRP A 172 -1.482 8.312 3.536 1.00 0.00 H new ATOM 0 HA TRP A 172 0.366 6.429 2.198 1.00 0.00 H new ATOM 0 HB2 TRP A 172 0.869 8.876 2.416 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.820 8.728 4.161 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.515 6.458 4.987 1.00 0.00 H new ATOM 0 HE1 TRP A 172 5.006 6.149 4.378 1.00 0.00 H new ATOM 0 HE3 TRP A 172 2.697 9.430 0.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 6.814 7.086 2.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 4.817 9.703 -0.421 1.00 0.00 H new ATOM 0 HH2 TRP A 172 6.876 8.538 0.330 1.00 0.00 H new ATOM 491 N LEU A 173 0.355 4.765 4.098 1.00 0.00 N ATOM 492 CA LEU A 173 0.536 3.822 5.238 1.00 0.00 C ATOM 493 C LEU A 173 1.815 4.181 5.997 1.00 0.00 C ATOM 494 O LEU A 173 1.811 4.331 7.202 1.00 0.00 O ATOM 495 CB LEU A 173 0.638 2.387 4.711 1.00 0.00 C ATOM 496 CG LEU A 173 -0.734 1.927 4.213 1.00 0.00 C ATOM 497 CD1 LEU A 173 -0.606 1.386 2.787 1.00 0.00 C ATOM 498 CD2 LEU A 173 -1.263 0.823 5.131 1.00 0.00 C ATOM 0 H LEU A 173 0.269 4.328 3.180 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.320 3.898 5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 173 1.366 2.337 3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.992 1.723 5.500 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.425 2.770 4.220 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -1.584 1.059 2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.227 2.171 2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 173 0.084 0.542 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -2.240 0.494 4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -0.571 -0.019 5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -1.355 1.207 6.147 1.00 0.00 H new ATOM 510 N GLY A 174 2.909 4.323 5.300 1.00 0.00 N ATOM 511 CA GLY A 174 4.186 4.676 5.983 1.00 0.00 C ATOM 512 C GLY A 174 5.358 4.055 5.225 1.00 0.00 C ATOM 513 O GLY A 174 5.236 3.004 4.631 1.00 0.00 O ATOM 0 H GLY A 174 2.974 4.210 4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.300 5.759 6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 174 4.172 4.315 7.012 1.00 0.00 H new ATOM 517 N THR A 175 6.497 4.693 5.239 1.00 0.00 N ATOM 518 CA THR A 175 7.666 4.123 4.516 1.00 0.00 C ATOM 519 C THR A 175 8.119 2.849 5.230 1.00 0.00 C ATOM 520 O THR A 175 7.828 2.641 6.391 1.00 0.00 O ATOM 521 CB THR A 175 8.815 5.137 4.479 1.00 0.00 C ATOM 522 OG1 THR A 175 9.650 4.950 5.613 1.00 0.00 O ATOM 523 CG2 THR A 175 8.250 6.558 4.484 1.00 0.00 C ATOM 0 H THR A 175 6.667 5.578 5.717 1.00 0.00 H new ATOM 0 HA THR A 175 7.379 3.890 3.491 1.00 0.00 H new ATOM 0 HB THR A 175 9.399 4.987 3.571 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.385 5.597 5.588 1.00 0.00 H new ATOM 0 HG21 THR A 175 9.070 7.276 4.458 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.615 6.700 3.609 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.662 6.712 5.388 1.00 0.00 H new ATOM 531 N PHE A 176 8.818 1.990 4.544 1.00 0.00 N ATOM 532 CA PHE A 176 9.274 0.725 5.182 1.00 0.00 C ATOM 533 C PHE A 176 10.762 0.512 4.895 1.00 0.00 C ATOM 534 O PHE A 176 11.411 1.337 4.284 1.00 0.00 O ATOM 535 CB PHE A 176 8.468 -0.441 4.611 1.00 0.00 C ATOM 536 CG PHE A 176 7.047 -0.353 5.112 1.00 0.00 C ATOM 537 CD1 PHE A 176 6.101 0.414 4.417 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.677 -1.032 6.279 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.785 0.498 4.891 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.363 -0.948 6.751 1.00 0.00 C ATOM 541 CZ PHE A 176 4.416 -0.183 6.058 1.00 0.00 C ATOM 0 H PHE A 176 9.093 2.109 3.569 1.00 0.00 H new ATOM 0 HA PHE A 176 9.123 0.782 6.260 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.485 -0.412 3.522 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.914 -1.389 4.911 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.386 0.939 3.518 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.406 -1.621 6.815 1.00 0.00 H new ATOM 0 HE1 PHE A 176 4.055 1.088 4.356 1.00 0.00 H new ATOM 0 HE2 PHE A 176 5.078 -1.473 7.651 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.402 -0.118 6.423 1.00 0.00 H new ATOM 551 N GLU A 177 11.307 -0.590 5.334 1.00 0.00 N ATOM 552 CA GLU A 177 12.752 -0.857 5.087 1.00 0.00 C ATOM 553 C GLU A 177 12.905 -1.753 3.857 1.00 0.00 C ATOM 554 O GLU A 177 13.906 -1.713 3.169 1.00 0.00 O ATOM 555 CB GLU A 177 13.355 -1.558 6.306 1.00 0.00 C ATOM 556 CG GLU A 177 14.107 -0.539 7.165 1.00 0.00 C ATOM 557 CD GLU A 177 13.723 -0.727 8.635 1.00 0.00 C ATOM 558 OE1 GLU A 177 12.537 -0.726 8.922 1.00 0.00 O ATOM 559 OE2 GLU A 177 14.621 -0.871 9.447 1.00 0.00 O ATOM 0 H GLU A 177 10.814 -1.317 5.853 1.00 0.00 H new ATOM 0 HA GLU A 177 13.271 0.086 4.914 1.00 0.00 H new ATOM 0 HB2 GLU A 177 12.567 -2.032 6.892 1.00 0.00 H new ATOM 0 HB3 GLU A 177 14.033 -2.349 5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 177 15.182 -0.666 7.040 1.00 0.00 H new ATOM 0 HG3 GLU A 177 13.866 0.474 6.842 1.00 0.00 H new ATOM 566 N THR A 178 11.921 -2.562 3.571 1.00 0.00 N ATOM 567 CA THR A 178 12.016 -3.460 2.383 1.00 0.00 C ATOM 568 C THR A 178 10.715 -3.383 1.578 1.00 0.00 C ATOM 569 O THR A 178 9.738 -2.807 2.012 1.00 0.00 O ATOM 570 CB THR A 178 12.250 -4.899 2.849 1.00 0.00 C ATOM 571 OG1 THR A 178 11.002 -5.512 3.135 1.00 0.00 O ATOM 572 CG2 THR A 178 13.121 -4.893 4.107 1.00 0.00 C ATOM 0 H THR A 178 11.057 -2.640 4.107 1.00 0.00 H new ATOM 0 HA THR A 178 12.848 -3.145 1.753 1.00 0.00 H new ATOM 0 HB THR A 178 12.756 -5.459 2.063 1.00 0.00 H new ATOM 0 HG1 THR A 178 11.154 -6.371 3.581 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.288 -5.918 4.439 1.00 0.00 H new ATOM 0 HG22 THR A 178 14.079 -4.423 3.884 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.618 -4.334 4.895 1.00 0.00 H new ATOM 580 N ALA A 179 10.695 -3.957 0.404 1.00 0.00 N ATOM 581 CA ALA A 179 9.462 -3.912 -0.427 1.00 0.00 C ATOM 582 C ALA A 179 8.464 -4.945 0.091 1.00 0.00 C ATOM 583 O ALA A 179 7.282 -4.834 -0.132 1.00 0.00 O ATOM 584 CB ALA A 179 9.811 -4.229 -1.882 1.00 0.00 C ATOM 0 H ALA A 179 11.481 -4.455 -0.013 1.00 0.00 H new ATOM 0 HA ALA A 179 9.022 -2.916 -0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.906 -4.195 -2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 179 10.525 -3.494 -2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 179 10.251 -5.224 -1.942 1.00 0.00 H new ATOM 590 N GLU A 180 8.930 -5.946 0.781 1.00 0.00 N ATOM 591 CA GLU A 180 7.998 -6.981 1.312 1.00 0.00 C ATOM 592 C GLU A 180 7.207 -6.400 2.482 1.00 0.00 C ATOM 593 O GLU A 180 6.059 -6.737 2.698 1.00 0.00 O ATOM 594 CB GLU A 180 8.804 -8.188 1.791 1.00 0.00 C ATOM 595 CG GLU A 180 7.895 -9.416 1.858 1.00 0.00 C ATOM 596 CD GLU A 180 8.622 -10.550 2.583 1.00 0.00 C ATOM 597 OE1 GLU A 180 9.299 -10.267 3.558 1.00 0.00 O ATOM 598 OE2 GLU A 180 8.490 -11.683 2.151 1.00 0.00 O ATOM 0 H GLU A 180 9.915 -6.094 1.001 1.00 0.00 H new ATOM 0 HA GLU A 180 7.309 -7.291 0.526 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.636 -8.375 1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.233 -7.986 2.773 1.00 0.00 H new ATOM 0 HG2 GLU A 180 6.971 -9.169 2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 180 7.618 -9.732 0.852 1.00 0.00 H new ATOM 605 N ASP A 181 7.808 -5.526 3.238 1.00 0.00 N ATOM 606 CA ASP A 181 7.088 -4.923 4.392 1.00 0.00 C ATOM 607 C ASP A 181 6.183 -3.797 3.887 1.00 0.00 C ATOM 608 O ASP A 181 5.104 -3.578 4.401 1.00 0.00 O ATOM 609 CB ASP A 181 8.096 -4.357 5.401 1.00 0.00 C ATOM 610 CG ASP A 181 9.453 -5.053 5.242 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.475 -6.273 5.247 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.444 -4.353 5.118 1.00 0.00 O ATOM 0 H ASP A 181 8.767 -5.203 3.107 1.00 0.00 H new ATOM 0 HA ASP A 181 6.487 -5.688 4.882 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.210 -3.284 5.249 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.724 -4.498 6.416 1.00 0.00 H new ATOM 617 N ALA A 182 6.612 -3.084 2.882 1.00 0.00 N ATOM 618 CA ALA A 182 5.773 -1.975 2.346 1.00 0.00 C ATOM 619 C ALA A 182 4.641 -2.555 1.500 1.00 0.00 C ATOM 620 O ALA A 182 3.581 -1.974 1.380 1.00 0.00 O ATOM 621 CB ALA A 182 6.634 -1.054 1.479 1.00 0.00 C ATOM 0 H ALA A 182 7.506 -3.221 2.410 1.00 0.00 H new ATOM 0 HA ALA A 182 5.354 -1.406 3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 182 6.019 -0.243 1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 182 7.442 -0.638 2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 182 7.055 -1.623 0.650 1.00 0.00 H new ATOM 627 N ALA A 183 4.852 -3.703 0.918 1.00 0.00 N ATOM 628 CA ALA A 183 3.783 -4.322 0.089 1.00 0.00 C ATOM 629 C ALA A 183 2.744 -4.943 1.017 1.00 0.00 C ATOM 630 O ALA A 183 1.555 -4.851 0.786 1.00 0.00 O ATOM 631 CB ALA A 183 4.384 -5.410 -0.801 1.00 0.00 C ATOM 0 H ALA A 183 5.718 -4.238 0.981 1.00 0.00 H new ATOM 0 HA ALA A 183 3.318 -3.563 -0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.597 -5.861 -1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 183 5.138 -4.970 -1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.846 -6.176 -0.178 1.00 0.00 H new ATOM 637 N LEU A 184 3.189 -5.570 2.072 1.00 0.00 N ATOM 638 CA LEU A 184 2.232 -6.193 3.024 1.00 0.00 C ATOM 639 C LEU A 184 1.383 -5.094 3.657 1.00 0.00 C ATOM 640 O LEU A 184 0.186 -5.230 3.816 1.00 0.00 O ATOM 641 CB LEU A 184 3.001 -6.938 4.116 1.00 0.00 C ATOM 642 CG LEU A 184 2.035 -7.829 4.895 1.00 0.00 C ATOM 643 CD1 LEU A 184 1.910 -9.182 4.194 1.00 0.00 C ATOM 644 CD2 LEU A 184 2.564 -8.036 6.316 1.00 0.00 C ATOM 0 H LEU A 184 4.174 -5.677 2.314 1.00 0.00 H new ATOM 0 HA LEU A 184 1.592 -6.899 2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.793 -7.541 3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.481 -6.227 4.789 1.00 0.00 H new ATOM 0 HG LEU A 184 1.056 -7.352 4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 184 1.221 -9.818 4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 184 1.532 -9.034 3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 184 2.888 -9.660 4.149 1.00 0.00 H new ATOM 0 HD21 LEU A 184 1.875 -8.672 6.872 1.00 0.00 H new ATOM 0 HD22 LEU A 184 3.543 -8.513 6.274 1.00 0.00 H new ATOM 0 HD23 LEU A 184 2.651 -7.071 6.816 1.00 0.00 H new ATOM 656 N ALA A 185 1.994 -3.998 4.009 1.00 0.00 N ATOM 657 CA ALA A 185 1.223 -2.882 4.620 1.00 0.00 C ATOM 658 C ALA A 185 0.183 -2.398 3.614 1.00 0.00 C ATOM 659 O ALA A 185 -0.930 -2.060 3.967 1.00 0.00 O ATOM 660 CB ALA A 185 2.175 -1.734 4.967 1.00 0.00 C ATOM 0 H ALA A 185 2.994 -3.827 3.900 1.00 0.00 H new ATOM 0 HA ALA A 185 0.729 -3.224 5.529 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.611 -0.916 5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.927 -2.086 5.674 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.666 -1.382 4.060 1.00 0.00 H new ATOM 666 N TYR A 186 0.536 -2.371 2.360 1.00 0.00 N ATOM 667 CA TYR A 186 -0.432 -1.919 1.323 1.00 0.00 C ATOM 668 C TYR A 186 -1.624 -2.874 1.302 1.00 0.00 C ATOM 669 O TYR A 186 -2.755 -2.463 1.170 1.00 0.00 O ATOM 670 CB TYR A 186 0.243 -1.928 -0.049 1.00 0.00 C ATOM 671 CG TYR A 186 -0.782 -1.610 -1.108 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.514 -2.645 -1.704 1.00 0.00 C ATOM 673 CD2 TYR A 186 -1.006 -0.282 -1.492 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.471 -2.351 -2.687 1.00 0.00 C ATOM 675 CE2 TYR A 186 -1.962 0.013 -2.472 1.00 0.00 C ATOM 676 CZ TYR A 186 -2.695 -1.021 -3.071 1.00 0.00 C ATOM 677 OH TYR A 186 -3.636 -0.732 -4.037 1.00 0.00 O ATOM 0 H TYR A 186 1.454 -2.643 2.008 1.00 0.00 H new ATOM 0 HA TYR A 186 -0.769 -0.909 1.555 1.00 0.00 H new ATOM 0 HB2 TYR A 186 1.050 -1.196 -0.075 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.691 -2.903 -0.241 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.342 -3.669 -1.407 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.441 0.515 -1.032 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.035 -3.149 -3.148 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -2.135 1.038 -2.766 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.667 0.236 -4.184 1.00 0.00 H new ATOM 687 N ASP A 187 -1.372 -4.148 1.428 1.00 0.00 N ATOM 688 CA ASP A 187 -2.477 -5.141 1.416 1.00 0.00 C ATOM 689 C ASP A 187 -3.435 -4.865 2.575 1.00 0.00 C ATOM 690 O ASP A 187 -4.632 -4.757 2.395 1.00 0.00 O ATOM 691 CB ASP A 187 -1.883 -6.541 1.571 1.00 0.00 C ATOM 692 CG ASP A 187 -0.853 -6.787 0.469 1.00 0.00 C ATOM 693 OD1 ASP A 187 -0.662 -5.898 -0.345 1.00 0.00 O ATOM 694 OD2 ASP A 187 -0.273 -7.860 0.456 1.00 0.00 O ATOM 0 H ASP A 187 -0.439 -4.544 1.540 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.025 -5.069 0.476 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.414 -6.641 2.550 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -2.673 -7.290 1.518 1.00 0.00 H new ATOM 699 N ARG A 188 -2.917 -4.760 3.766 1.00 0.00 N ATOM 700 CA ARG A 188 -3.792 -4.501 4.946 1.00 0.00 C ATOM 701 C ARG A 188 -4.648 -3.255 4.703 1.00 0.00 C ATOM 702 O ARG A 188 -5.754 -3.147 5.194 1.00 0.00 O ATOM 703 CB ARG A 188 -2.917 -4.283 6.184 1.00 0.00 C ATOM 704 CG ARG A 188 -3.566 -4.959 7.395 1.00 0.00 C ATOM 705 CD ARG A 188 -2.893 -6.309 7.645 1.00 0.00 C ATOM 706 NE ARG A 188 -3.863 -7.405 7.369 1.00 0.00 N ATOM 707 CZ ARG A 188 -3.429 -8.599 7.069 1.00 0.00 C ATOM 708 NH1 ARG A 188 -2.250 -8.985 7.474 1.00 0.00 N ATOM 709 NH2 ARG A 188 -4.174 -9.406 6.363 1.00 0.00 N ATOM 0 H ARG A 188 -1.922 -4.842 3.975 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.448 -5.358 5.101 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -1.921 -4.694 6.015 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -2.794 -3.216 6.372 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -3.469 -4.323 8.275 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -4.633 -5.099 7.219 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -2.017 -6.415 7.005 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -2.544 -6.368 8.676 1.00 0.00 H new ATOM 0 HE ARG A 188 -4.866 -7.223 7.414 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -1.668 -8.354 8.025 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -1.910 -9.918 7.240 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -5.095 -9.103 6.046 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -3.835 -10.339 6.129 1.00 0.00 H new ATOM 723 N ALA A 189 -4.146 -2.309 3.960 1.00 0.00 N ATOM 724 CA ALA A 189 -4.935 -1.071 3.701 1.00 0.00 C ATOM 725 C ALA A 189 -5.889 -1.299 2.526 1.00 0.00 C ATOM 726 O ALA A 189 -6.929 -0.674 2.428 1.00 0.00 O ATOM 727 CB ALA A 189 -3.981 0.077 3.368 1.00 0.00 C ATOM 0 H ALA A 189 -3.226 -2.338 3.521 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.515 -0.821 4.589 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.555 0.984 3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.306 0.244 4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.401 -0.178 2.481 1.00 0.00 H new ATOM 733 N ALA A 190 -5.548 -2.188 1.635 1.00 0.00 N ATOM 734 CA ALA A 190 -6.433 -2.450 0.466 1.00 0.00 C ATOM 735 C ALA A 190 -7.423 -3.561 0.813 1.00 0.00 C ATOM 736 O ALA A 190 -8.217 -3.976 -0.006 1.00 0.00 O ATOM 737 CB ALA A 190 -5.585 -2.876 -0.733 1.00 0.00 C ATOM 0 H ALA A 190 -4.694 -2.745 1.666 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.981 -1.542 0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -6.234 -3.067 -1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.882 -2.081 -0.982 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -5.034 -3.783 -0.485 1.00 0.00 H new ATOM 743 N PHE A 191 -7.391 -4.041 2.024 1.00 0.00 N ATOM 744 CA PHE A 191 -8.342 -5.113 2.421 1.00 0.00 C ATOM 745 C PHE A 191 -9.237 -4.573 3.533 1.00 0.00 C ATOM 746 O PHE A 191 -10.390 -4.931 3.652 1.00 0.00 O ATOM 747 CB PHE A 191 -7.570 -6.334 2.923 1.00 0.00 C ATOM 748 CG PHE A 191 -8.268 -7.591 2.471 1.00 0.00 C ATOM 749 CD1 PHE A 191 -8.180 -7.992 1.133 1.00 0.00 C ATOM 750 CD2 PHE A 191 -9.002 -8.355 3.386 1.00 0.00 C ATOM 751 CE1 PHE A 191 -8.826 -9.160 0.709 1.00 0.00 C ATOM 752 CE2 PHE A 191 -9.649 -9.523 2.963 1.00 0.00 C ATOM 753 CZ PHE A 191 -9.561 -9.926 1.623 1.00 0.00 C ATOM 0 H PHE A 191 -6.748 -3.737 2.755 1.00 0.00 H new ATOM 0 HA PHE A 191 -8.947 -5.412 1.565 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.549 -6.315 2.541 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.503 -6.313 4.011 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -7.614 -7.401 0.428 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -9.069 -8.044 4.418 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -8.757 -9.470 -0.323 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -10.215 -10.113 3.669 1.00 0.00 H new ATOM 0 HZ PHE A 191 -10.060 -10.826 1.296 1.00 0.00 H new ATOM 763 N ARG A 192 -8.714 -3.691 4.334 1.00 0.00 N ATOM 764 CA ARG A 192 -9.534 -3.097 5.422 1.00 0.00 C ATOM 765 C ARG A 192 -10.489 -2.095 4.785 1.00 0.00 C ATOM 766 O ARG A 192 -11.636 -1.970 5.165 1.00 0.00 O ATOM 767 CB ARG A 192 -8.620 -2.373 6.409 1.00 0.00 C ATOM 768 CG ARG A 192 -7.846 -3.401 7.239 1.00 0.00 C ATOM 769 CD ARG A 192 -8.155 -3.202 8.725 1.00 0.00 C ATOM 770 NE ARG A 192 -9.600 -2.878 8.896 1.00 0.00 N ATOM 771 CZ ARG A 192 -9.956 -1.780 9.510 1.00 0.00 C ATOM 772 NH1 ARG A 192 -9.212 -0.712 9.425 1.00 0.00 N ATOM 773 NH2 ARG A 192 -11.059 -1.752 10.206 1.00 0.00 N ATOM 0 H ARG A 192 -7.752 -3.355 4.282 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.087 -3.871 5.955 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -7.926 -1.727 5.871 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -9.210 -1.732 7.064 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -8.120 -4.411 6.933 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -6.776 -3.294 7.063 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -7.906 -4.105 9.283 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -7.541 -2.398 9.130 1.00 0.00 H new ATOM 0 HE ARG A 192 -10.311 -3.513 8.534 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -8.351 -0.733 8.879 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -9.491 0.144 9.905 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -11.643 -2.586 10.271 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -11.338 -0.896 10.686 1.00 0.00 H new ATOM 787 N MET A 193 -10.007 -1.383 3.806 1.00 0.00 N ATOM 788 CA MET A 193 -10.852 -0.378 3.107 1.00 0.00 C ATOM 789 C MET A 193 -11.724 -1.074 2.062 1.00 0.00 C ATOM 790 O MET A 193 -12.906 -0.816 1.950 1.00 0.00 O ATOM 791 CB MET A 193 -9.943 0.628 2.405 1.00 0.00 C ATOM 792 CG MET A 193 -10.788 1.575 1.552 1.00 0.00 C ATOM 793 SD MET A 193 -9.703 2.561 0.492 1.00 0.00 S ATOM 794 CE MET A 193 -8.538 3.072 1.779 1.00 0.00 C ATOM 0 H MET A 193 -9.051 -1.456 3.457 1.00 0.00 H new ATOM 0 HA MET A 193 -11.489 0.129 3.831 1.00 0.00 H new ATOM 0 HB2 MET A 193 -9.374 1.196 3.142 1.00 0.00 H new ATOM 0 HB3 MET A 193 -9.220 0.105 1.779 1.00 0.00 H new ATOM 0 HG2 MET A 193 -11.489 1.005 0.943 1.00 0.00 H new ATOM 0 HG3 MET A 193 -11.380 2.228 2.193 1.00 0.00 H new ATOM 0 HE1 MET A 193 -7.944 3.912 1.419 1.00 0.00 H new ATOM 0 HE2 MET A 193 -9.089 3.373 2.670 1.00 0.00 H new ATOM 0 HE3 MET A 193 -7.878 2.240 2.024 1.00 0.00 H new ATOM 804 N ARG A 194 -11.142 -1.943 1.287 1.00 0.00 N ATOM 805 CA ARG A 194 -11.919 -2.651 0.230 1.00 0.00 C ATOM 806 C ARG A 194 -12.427 -3.990 0.762 1.00 0.00 C ATOM 807 O ARG A 194 -13.550 -4.383 0.515 1.00 0.00 O ATOM 808 CB ARG A 194 -11.012 -2.902 -0.974 1.00 0.00 C ATOM 809 CG ARG A 194 -10.918 -1.626 -1.812 1.00 0.00 C ATOM 810 CD ARG A 194 -9.682 -1.691 -2.711 1.00 0.00 C ATOM 811 NE ARG A 194 -9.920 -0.879 -3.938 1.00 0.00 N ATOM 812 CZ ARG A 194 -9.400 0.313 -4.043 1.00 0.00 C ATOM 813 NH1 ARG A 194 -8.104 0.456 -4.117 1.00 0.00 N ATOM 814 NH2 ARG A 194 -10.176 1.362 -4.078 1.00 0.00 N ATOM 0 H ARG A 194 -10.155 -2.196 1.339 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.770 -2.036 -0.063 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.020 -3.205 -0.639 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.408 -3.719 -1.578 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -11.816 -1.511 -2.419 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -10.860 -0.754 -1.160 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -8.810 -1.315 -2.176 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -9.469 -2.725 -2.981 1.00 0.00 H new ATOM 0 HE ARG A 194 -10.490 -1.255 -4.696 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -7.498 -0.364 -4.093 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -7.698 1.388 -4.199 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -11.188 1.250 -4.023 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -9.770 2.294 -4.160 1.00 0.00 H new ATOM 828 N GLY A 195 -11.606 -4.694 1.482 1.00 0.00 N ATOM 829 CA GLY A 195 -12.038 -6.015 2.024 1.00 0.00 C ATOM 830 C GLY A 195 -12.684 -6.838 0.906 1.00 0.00 C ATOM 831 O GLY A 195 -12.342 -6.706 -0.253 1.00 0.00 O ATOM 0 H GLY A 195 -10.654 -4.416 1.721 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -11.181 -6.549 2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -12.746 -5.871 2.840 1.00 0.00 H new ATOM 835 N SER A 196 -13.617 -7.687 1.243 1.00 0.00 N ATOM 836 CA SER A 196 -14.285 -8.514 0.199 1.00 0.00 C ATOM 837 C SER A 196 -13.223 -9.194 -0.677 1.00 0.00 C ATOM 838 O SER A 196 -12.559 -10.118 -0.248 1.00 0.00 O ATOM 839 CB SER A 196 -15.184 -7.619 -0.657 1.00 0.00 C ATOM 840 OG SER A 196 -16.153 -6.995 0.176 1.00 0.00 O ATOM 0 H SER A 196 -13.945 -7.843 2.196 1.00 0.00 H new ATOM 0 HA SER A 196 -14.895 -9.283 0.673 1.00 0.00 H new ATOM 0 HB2 SER A 196 -14.586 -6.864 -1.167 1.00 0.00 H new ATOM 0 HB3 SER A 196 -15.677 -8.210 -1.429 1.00 0.00 H new ATOM 0 HG SER A 196 -16.730 -6.419 -0.368 1.00 0.00 H new ATOM 846 N ARG A 197 -13.047 -8.751 -1.896 1.00 0.00 N ATOM 847 CA ARG A 197 -12.022 -9.385 -2.776 1.00 0.00 C ATOM 848 C ARG A 197 -11.123 -8.297 -3.367 1.00 0.00 C ATOM 849 O ARG A 197 -10.995 -8.168 -4.569 1.00 0.00 O ATOM 850 CB ARG A 197 -12.717 -10.143 -3.909 1.00 0.00 C ATOM 851 CG ARG A 197 -13.787 -11.071 -3.326 1.00 0.00 C ATOM 852 CD ARG A 197 -13.478 -12.518 -3.713 1.00 0.00 C ATOM 853 NE ARG A 197 -14.614 -13.076 -4.501 1.00 0.00 N ATOM 854 CZ ARG A 197 -15.732 -13.387 -3.904 1.00 0.00 C ATOM 855 NH1 ARG A 197 -15.744 -14.309 -2.980 1.00 0.00 N ATOM 856 NH2 ARG A 197 -16.837 -12.779 -4.235 1.00 0.00 N ATOM 0 H ARG A 197 -13.567 -7.981 -2.318 1.00 0.00 H new ATOM 0 HA ARG A 197 -11.420 -10.081 -2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -13.172 -9.439 -4.605 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -11.987 -10.723 -4.474 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -13.816 -10.973 -2.241 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -14.771 -10.787 -3.698 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -12.560 -12.561 -4.299 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -13.313 -13.118 -2.818 1.00 0.00 H new ATOM 0 HE ARG A 197 -14.517 -13.215 -5.507 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -14.880 -14.786 -2.725 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -16.618 -14.552 -2.513 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -16.827 -12.061 -4.960 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -17.712 -13.021 -3.769 1.00 0.00 H new ATOM 870 N ALA A 198 -10.505 -7.510 -2.531 1.00 0.00 N ATOM 871 CA ALA A 198 -9.618 -6.426 -3.039 1.00 0.00 C ATOM 872 C ALA A 198 -8.403 -7.036 -3.740 1.00 0.00 C ATOM 873 O ALA A 198 -8.159 -8.224 -3.663 1.00 0.00 O ATOM 874 CB ALA A 198 -9.146 -5.564 -1.867 1.00 0.00 C ATOM 0 H ALA A 198 -10.576 -7.571 -1.515 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.173 -5.811 -3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.497 -4.770 -2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.009 -5.124 -1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.595 -6.183 -1.159 1.00 0.00 H new ATOM 880 N LEU A 199 -7.636 -6.228 -4.420 1.00 0.00 N ATOM 881 CA LEU A 199 -6.432 -6.752 -5.123 1.00 0.00 C ATOM 882 C LEU A 199 -5.177 -6.173 -4.466 1.00 0.00 C ATOM 883 O LEU A 199 -4.954 -4.978 -4.475 1.00 0.00 O ATOM 884 CB LEU A 199 -6.479 -6.341 -6.597 1.00 0.00 C ATOM 885 CG LEU A 199 -6.037 -7.518 -7.470 1.00 0.00 C ATOM 886 CD1 LEU A 199 -7.205 -7.970 -8.349 1.00 0.00 C ATOM 887 CD2 LEU A 199 -4.869 -7.083 -8.359 1.00 0.00 C ATOM 0 H LEU A 199 -7.792 -5.225 -4.519 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.411 -7.840 -5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.489 -6.033 -6.868 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.828 -5.484 -6.767 1.00 0.00 H new ATOM 0 HG LEU A 199 -5.722 -8.344 -6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -6.890 -8.808 -8.970 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -8.037 -8.280 -7.717 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -7.521 -7.144 -8.987 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -4.554 -7.921 -8.981 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -5.185 -6.257 -8.996 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -4.036 -6.762 -7.734 1.00 0.00 H new ATOM 899 N LEU A 200 -4.359 -7.010 -3.890 1.00 0.00 N ATOM 900 CA LEU A 200 -3.123 -6.508 -3.223 1.00 0.00 C ATOM 901 C LEU A 200 -1.900 -7.229 -3.793 1.00 0.00 C ATOM 902 O LEU A 200 -2.014 -8.089 -4.644 1.00 0.00 O ATOM 903 CB LEU A 200 -3.199 -6.758 -1.710 1.00 0.00 C ATOM 904 CG LEU A 200 -4.302 -7.770 -1.389 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.008 -8.447 -0.050 1.00 0.00 C ATOM 906 CD2 LEU A 200 -5.645 -7.042 -1.305 1.00 0.00 C ATOM 0 H LEU A 200 -4.492 -8.021 -3.852 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.036 -5.437 -3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.240 -7.129 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.395 -5.820 -1.190 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.340 -8.525 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -4.795 -9.166 0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.050 -8.964 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -3.969 -7.694 0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.434 -7.759 -1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.601 -6.288 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -5.858 -6.560 -2.259 1.00 0.00 H new ATOM 918 N ASN A 201 -0.730 -6.891 -3.321 1.00 0.00 N ATOM 919 CA ASN A 201 0.498 -7.568 -3.830 1.00 0.00 C ATOM 920 C ASN A 201 0.502 -9.006 -3.319 1.00 0.00 C ATOM 921 O ASN A 201 0.881 -9.928 -4.015 1.00 0.00 O ATOM 922 CB ASN A 201 1.756 -6.848 -3.322 1.00 0.00 C ATOM 923 CG ASN A 201 1.440 -5.383 -3.009 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.691 -4.919 -1.816 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.958 -4.656 -3.856 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.572 -6.179 -2.608 1.00 0.00 H new ATOM 0 HA ASN A 201 0.500 -7.547 -4.920 1.00 0.00 H new ATOM 0 HB2 ASN A 201 2.132 -7.345 -2.428 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.544 -6.905 -4.073 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.762 -5.020 -4.789 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.750 -3.683 -3.634 1.00 0.00 H new ATOM 932 N PHE A 202 0.071 -9.198 -2.104 1.00 0.00 N ATOM 933 CA PHE A 202 0.028 -10.567 -1.526 1.00 0.00 C ATOM 934 C PHE A 202 -1.439 -10.971 -1.338 1.00 0.00 C ATOM 935 O PHE A 202 -2.054 -10.616 -0.352 1.00 0.00 O ATOM 936 CB PHE A 202 0.745 -10.563 -0.173 1.00 0.00 C ATOM 937 CG PHE A 202 2.089 -9.894 -0.323 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.779 -9.979 -1.539 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.649 -9.191 0.752 1.00 0.00 C ATOM 940 CE1 PHE A 202 4.027 -9.364 -1.680 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.899 -8.574 0.610 1.00 0.00 C ATOM 942 CZ PHE A 202 4.589 -8.662 -0.607 1.00 0.00 C ATOM 0 H PHE A 202 -0.256 -8.458 -1.483 1.00 0.00 H new ATOM 0 HA PHE A 202 0.522 -11.276 -2.190 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.144 -10.036 0.568 1.00 0.00 H new ATOM 0 HB3 PHE A 202 0.872 -11.584 0.187 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.347 -10.520 -2.368 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.117 -9.125 1.690 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.558 -9.431 -2.618 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.331 -8.031 1.438 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.553 -8.189 -0.717 1.00 0.00 H new ATOM 952 N PRO A 203 -1.962 -11.688 -2.302 1.00 0.00 N ATOM 953 CA PRO A 203 -3.365 -12.141 -2.283 1.00 0.00 C ATOM 954 C PRO A 203 -3.544 -13.308 -1.308 1.00 0.00 C ATOM 955 O PRO A 203 -2.649 -14.104 -1.102 1.00 0.00 O ATOM 956 CB PRO A 203 -3.620 -12.587 -3.726 1.00 0.00 C ATOM 957 CG PRO A 203 -2.233 -12.894 -4.338 1.00 0.00 C ATOM 958 CD PRO A 203 -1.202 -12.121 -3.494 1.00 0.00 C ATOM 0 HA PRO A 203 -4.058 -11.367 -1.953 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -4.260 -13.469 -3.753 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.129 -11.806 -4.290 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -2.028 -13.964 -4.317 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -2.192 -12.582 -5.382 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -0.357 -12.753 -3.220 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -0.798 -11.269 -4.040 1.00 0.00 H new