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 Set 1.1: A 156 LYS NZ :NH3+ 146:sc= -0.487 (180deg=-2.05!) USER MOD Set 1.2: A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 TYR OH : rot -78:sc= 0.0316 USER MOD Single : A 151 GLN : amide:sc= -0.367 K(o=-0.37,f=-3.6!) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 178 THR OG1 : rot -170:sc= -2.37! USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 MET CE :methyl -168:sc= -0.677 (180deg=-0.901) USER MOD Single : A 196 SER OG : rot 180:sc= -0.0277 USER MOD Single : A 201 ASN :FLIP amide:sc= -3.82! C(o=-8.1!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.731 -2.787 -6.568 1.00 0.00 N ATOM 41 CA TYR A 146 4.353 -3.134 -6.124 1.00 0.00 C ATOM 42 C TYR A 146 3.414 -1.961 -6.402 1.00 0.00 C ATOM 43 O TYR A 146 3.794 -0.812 -6.301 1.00 0.00 O ATOM 44 CB TYR A 146 4.360 -3.424 -4.623 1.00 0.00 C ATOM 45 CG TYR A 146 5.149 -4.677 -4.349 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.989 -5.799 -5.171 1.00 0.00 C ATOM 47 CD2 TYR A 146 6.032 -4.723 -3.264 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.712 -6.968 -4.909 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.755 -5.890 -3.000 1.00 0.00 C ATOM 50 CZ TYR A 146 6.596 -7.014 -3.822 1.00 0.00 C ATOM 51 OH TYR A 146 7.310 -8.166 -3.561 1.00 0.00 O ATOM 0 HA TYR A 146 4.010 -4.014 -6.668 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.796 -2.583 -4.083 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.338 -3.540 -4.261 1.00 0.00 H new ATOM 0 HD1 TYR A 146 4.307 -5.762 -6.008 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.155 -3.857 -2.631 1.00 0.00 H new ATOM 0 HE1 TYR A 146 5.589 -7.833 -5.543 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.436 -5.925 -2.163 1.00 0.00 H new ATOM 0 HH TYR A 146 6.730 -8.815 -3.111 1.00 0.00 H new ATOM 61 N ARG A 147 2.189 -2.242 -6.747 1.00 0.00 N ATOM 62 CA ARG A 147 1.227 -1.141 -7.023 1.00 0.00 C ATOM 63 C ARG A 147 0.787 -0.512 -5.699 1.00 0.00 C ATOM 64 O ARG A 147 -0.253 -0.838 -5.162 1.00 0.00 O ATOM 65 CB ARG A 147 0.005 -1.704 -7.752 1.00 0.00 C ATOM 66 CG ARG A 147 0.418 -2.183 -9.145 1.00 0.00 C ATOM 67 CD ARG A 147 0.615 -0.975 -10.062 1.00 0.00 C ATOM 68 NE ARG A 147 -0.476 -0.939 -11.078 1.00 0.00 N ATOM 69 CZ ARG A 147 -0.427 -1.725 -12.120 1.00 0.00 C ATOM 70 NH1 ARG A 147 0.519 -2.619 -12.224 1.00 0.00 N ATOM 71 NH2 ARG A 147 -1.326 -1.615 -13.059 1.00 0.00 N ATOM 0 H ARG A 147 1.813 -3.185 -6.850 1.00 0.00 H new ATOM 0 HA ARG A 147 1.704 -0.385 -7.646 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.422 -2.530 -7.184 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.768 -0.939 -7.833 1.00 0.00 H new ATOM 0 HG2 ARG A 147 1.340 -2.761 -9.084 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.346 -2.844 -9.555 1.00 0.00 H new ATOM 0 HD2 ARG A 147 0.611 -0.056 -9.476 1.00 0.00 H new ATOM 0 HD3 ARG A 147 1.585 -1.034 -10.556 1.00 0.00 H new ATOM 0 HE ARG A 147 -1.262 -0.300 -10.959 1.00 0.00 H new ATOM 0 HH11 ARG A 147 1.222 -2.705 -11.490 1.00 0.00 H new ATOM 0 HH12 ARG A 147 0.555 -3.231 -13.039 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -2.065 -0.916 -12.978 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -1.290 -2.228 -13.874 1.00 0.00 H new ATOM 85 N GLY A 148 1.569 0.388 -5.169 1.00 0.00 N ATOM 86 CA GLY A 148 1.187 1.035 -3.880 1.00 0.00 C ATOM 87 C GLY A 148 2.396 1.120 -2.939 1.00 0.00 C ATOM 88 O GLY A 148 2.256 1.455 -1.780 1.00 0.00 O ATOM 0 H GLY A 148 2.452 0.703 -5.570 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.797 2.035 -4.070 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.388 0.466 -3.404 1.00 0.00 H new ATOM 92 N VAL A 149 3.580 0.826 -3.412 1.00 0.00 N ATOM 93 CA VAL A 149 4.766 0.907 -2.513 1.00 0.00 C ATOM 94 C VAL A 149 5.783 1.899 -3.081 1.00 0.00 C ATOM 95 O VAL A 149 6.398 1.656 -4.102 1.00 0.00 O ATOM 96 CB VAL A 149 5.422 -0.470 -2.380 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.767 -0.334 -1.663 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.512 -1.392 -1.569 1.00 0.00 C ATOM 0 H VAL A 149 3.774 0.537 -4.371 1.00 0.00 H new ATOM 0 HA VAL A 149 4.437 1.245 -1.530 1.00 0.00 H new ATOM 0 HB VAL A 149 5.580 -0.889 -3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 149 7.231 -1.316 -1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.420 0.323 -2.237 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.609 0.088 -0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 149 4.979 -2.372 -1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 149 4.355 -0.968 -0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.553 -1.494 -2.076 1.00 0.00 H new ATOM 108 N ARG A 150 5.974 3.012 -2.425 1.00 0.00 N ATOM 109 CA ARG A 150 6.961 4.008 -2.928 1.00 0.00 C ATOM 110 C ARG A 150 8.371 3.517 -2.601 1.00 0.00 C ATOM 111 O ARG A 150 8.833 3.626 -1.481 1.00 0.00 O ATOM 112 CB ARG A 150 6.720 5.362 -2.256 1.00 0.00 C ATOM 113 CG ARG A 150 6.915 6.480 -3.282 1.00 0.00 C ATOM 114 CD ARG A 150 8.326 7.057 -3.150 1.00 0.00 C ATOM 115 NE ARG A 150 8.266 8.542 -3.254 1.00 0.00 N ATOM 116 CZ ARG A 150 9.368 9.240 -3.258 1.00 0.00 C ATOM 117 NH1 ARG A 150 10.284 9.009 -4.160 1.00 0.00 N ATOM 118 NH2 ARG A 150 9.555 10.171 -2.362 1.00 0.00 N ATOM 0 H ARG A 150 5.491 3.273 -1.566 1.00 0.00 H new ATOM 0 HA ARG A 150 6.849 4.123 -4.006 1.00 0.00 H new ATOM 0 HB2 ARG A 150 5.711 5.402 -1.845 1.00 0.00 H new ATOM 0 HB3 ARG A 150 7.409 5.494 -1.422 1.00 0.00 H new ATOM 0 HG2 ARG A 150 6.762 6.093 -4.290 1.00 0.00 H new ATOM 0 HG3 ARG A 150 6.174 7.264 -3.126 1.00 0.00 H new ATOM 0 HD2 ARG A 150 8.762 6.766 -2.194 1.00 0.00 H new ATOM 0 HD3 ARG A 150 8.970 6.653 -3.931 1.00 0.00 H new ATOM 0 HE ARG A 150 7.364 9.013 -3.322 1.00 0.00 H new ATOM 0 HH11 ARG A 150 10.138 8.283 -4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 150 11.146 9.555 -4.163 1.00 0.00 H new ATOM 0 HH21 ARG A 150 8.839 10.353 -1.658 1.00 0.00 H new ATOM 0 HH22 ARG A 150 10.417 10.716 -2.366 1.00 0.00 H new ATOM 132 N GLN A 151 9.053 2.965 -3.565 1.00 0.00 N ATOM 133 CA GLN A 151 10.427 2.453 -3.310 1.00 0.00 C ATOM 134 C GLN A 151 11.461 3.494 -3.745 1.00 0.00 C ATOM 135 O GLN A 151 11.373 4.062 -4.816 1.00 0.00 O ATOM 136 CB GLN A 151 10.641 1.166 -4.107 1.00 0.00 C ATOM 137 CG GLN A 151 10.306 1.417 -5.579 1.00 0.00 C ATOM 138 CD GLN A 151 11.390 0.799 -6.464 1.00 0.00 C ATOM 139 OE1 GLN A 151 12.442 0.425 -5.985 1.00 0.00 O ATOM 140 NE2 GLN A 151 11.176 0.675 -7.745 1.00 0.00 N ATOM 0 H GLN A 151 8.717 2.846 -4.521 1.00 0.00 H new ATOM 0 HA GLN A 151 10.544 2.254 -2.245 1.00 0.00 H new ATOM 0 HB2 GLN A 151 11.674 0.833 -4.010 1.00 0.00 H new ATOM 0 HB3 GLN A 151 10.011 0.370 -3.710 1.00 0.00 H new ATOM 0 HG2 GLN A 151 9.335 0.985 -5.820 1.00 0.00 H new ATOM 0 HG3 GLN A 151 10.234 2.488 -5.769 1.00 0.00 H new ATOM 0 HE21 GLN A 151 10.293 0.989 -8.147 1.00 0.00 H new ATOM 0 HE22 GLN A 151 11.892 0.264 -8.344 1.00 0.00 H new ATOM 149 N ARG A 152 12.447 3.736 -2.927 1.00 0.00 N ATOM 150 CA ARG A 152 13.498 4.727 -3.292 1.00 0.00 C ATOM 151 C ARG A 152 14.609 3.992 -4.051 1.00 0.00 C ATOM 152 O ARG A 152 14.485 2.813 -4.319 1.00 0.00 O ATOM 153 CB ARG A 152 14.061 5.373 -2.020 1.00 0.00 C ATOM 154 CG ARG A 152 13.030 5.293 -0.890 1.00 0.00 C ATOM 155 CD ARG A 152 13.485 6.165 0.281 1.00 0.00 C ATOM 156 NE ARG A 152 12.431 6.168 1.334 1.00 0.00 N ATOM 157 CZ ARG A 152 12.166 7.266 1.989 1.00 0.00 C ATOM 158 NH1 ARG A 152 13.095 7.842 2.701 1.00 0.00 N ATOM 159 NH2 ARG A 152 10.972 7.788 1.931 1.00 0.00 N ATOM 0 H ARG A 152 12.571 3.289 -2.019 1.00 0.00 H new ATOM 0 HA ARG A 152 13.079 5.512 -3.921 1.00 0.00 H new ATOM 0 HB2 ARG A 152 14.979 4.867 -1.722 1.00 0.00 H new ATOM 0 HB3 ARG A 152 14.319 6.414 -2.215 1.00 0.00 H new ATOM 0 HG2 ARG A 152 12.056 5.627 -1.248 1.00 0.00 H new ATOM 0 HG3 ARG A 152 12.913 4.260 -0.563 1.00 0.00 H new ATOM 0 HD2 ARG A 152 14.422 5.785 0.689 1.00 0.00 H new ATOM 0 HD3 ARG A 152 13.676 7.182 -0.061 1.00 0.00 H new ATOM 0 HE ARG A 152 11.917 5.312 1.543 1.00 0.00 H new ATOM 0 HH11 ARG A 152 14.029 7.435 2.746 1.00 0.00 H new ATOM 0 HH12 ARG A 152 12.887 8.700 3.212 1.00 0.00 H new ATOM 0 HH21 ARG A 152 10.245 7.338 1.374 1.00 0.00 H new ATOM 0 HH22 ARG A 152 10.765 8.646 2.443 1.00 0.00 H new ATOM 173 N PRO A 153 15.660 4.697 -4.386 1.00 0.00 N ATOM 174 CA PRO A 153 16.791 4.112 -5.123 1.00 0.00 C ATOM 175 C PRO A 153 17.676 3.297 -4.177 1.00 0.00 C ATOM 176 O PRO A 153 18.641 3.793 -3.628 1.00 0.00 O ATOM 177 CB PRO A 153 17.534 5.332 -5.674 1.00 0.00 C ATOM 178 CG PRO A 153 17.132 6.529 -4.782 1.00 0.00 C ATOM 179 CD PRO A 153 15.826 6.131 -4.066 1.00 0.00 C ATOM 0 HA PRO A 153 16.485 3.424 -5.911 1.00 0.00 H new ATOM 0 HB2 PRO A 153 18.612 5.174 -5.649 1.00 0.00 H new ATOM 0 HB3 PRO A 153 17.263 5.515 -6.714 1.00 0.00 H new ATOM 0 HG2 PRO A 153 17.916 6.753 -4.059 1.00 0.00 H new ATOM 0 HG3 PRO A 153 16.986 7.427 -5.382 1.00 0.00 H new ATOM 0 HD2 PRO A 153 15.896 6.294 -2.990 1.00 0.00 H new ATOM 0 HD3 PRO A 153 14.981 6.719 -4.423 1.00 0.00 H new ATOM 187 N TRP A 154 17.354 2.046 -3.983 1.00 0.00 N ATOM 188 CA TRP A 154 18.172 1.196 -3.073 1.00 0.00 C ATOM 189 C TRP A 154 18.258 1.861 -1.697 1.00 0.00 C ATOM 190 O TRP A 154 19.284 2.392 -1.323 1.00 0.00 O ATOM 191 CB TRP A 154 19.582 1.041 -3.649 1.00 0.00 C ATOM 192 CG TRP A 154 19.498 0.545 -5.057 1.00 0.00 C ATOM 193 CD1 TRP A 154 20.011 1.182 -6.135 1.00 0.00 C ATOM 194 CD2 TRP A 154 18.880 -0.677 -5.558 1.00 0.00 C ATOM 195 NE1 TRP A 154 19.746 0.430 -7.266 1.00 0.00 N ATOM 196 CE2 TRP A 154 19.051 -0.724 -6.962 1.00 0.00 C ATOM 197 CE3 TRP A 154 18.194 -1.737 -4.935 1.00 0.00 C ATOM 198 CZ2 TRP A 154 18.558 -1.787 -7.722 1.00 0.00 C ATOM 199 CZ3 TRP A 154 17.697 -2.809 -5.696 1.00 0.00 C ATOM 200 CH2 TRP A 154 17.880 -2.833 -7.087 1.00 0.00 C ATOM 0 H TRP A 154 16.559 1.577 -4.416 1.00 0.00 H new ATOM 0 HA TRP A 154 17.707 0.215 -2.977 1.00 0.00 H new ATOM 0 HB2 TRP A 154 20.104 1.997 -3.620 1.00 0.00 H new ATOM 0 HB3 TRP A 154 20.159 0.344 -3.041 1.00 0.00 H new ATOM 0 HD1 TRP A 154 20.540 2.123 -6.116 1.00 0.00 H new ATOM 0 HE1 TRP A 154 20.029 0.696 -8.209 1.00 0.00 H new ATOM 0 HE3 TRP A 154 18.049 -1.726 -3.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 18.699 -1.801 -8.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 17.172 -3.617 -5.208 1.00 0.00 H new ATOM 0 HH2 TRP A 154 17.497 -3.659 -7.668 1.00 0.00 H new ATOM 211 N GLY A 155 17.193 1.841 -0.939 1.00 0.00 N ATOM 212 CA GLY A 155 17.242 2.482 0.406 1.00 0.00 C ATOM 213 C GLY A 155 16.006 2.105 1.230 1.00 0.00 C ATOM 214 O GLY A 155 15.985 1.096 1.906 1.00 0.00 O ATOM 0 H GLY A 155 16.302 1.414 -1.190 1.00 0.00 H new ATOM 0 HA2 GLY A 155 18.145 2.169 0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.296 3.565 0.297 1.00 0.00 H new ATOM 218 N LYS A 156 14.985 2.919 1.194 1.00 0.00 N ATOM 219 CA LYS A 156 13.761 2.620 1.996 1.00 0.00 C ATOM 220 C LYS A 156 12.564 2.374 1.073 1.00 0.00 C ATOM 221 O LYS A 156 12.704 2.236 -0.126 1.00 0.00 O ATOM 222 CB LYS A 156 13.454 3.815 2.901 1.00 0.00 C ATOM 223 CG LYS A 156 14.244 3.694 4.205 1.00 0.00 C ATOM 224 CD LYS A 156 14.274 5.053 4.909 1.00 0.00 C ATOM 225 CE LYS A 156 13.001 5.228 5.740 1.00 0.00 C ATOM 226 NZ LYS A 156 12.807 4.034 6.610 1.00 0.00 N ATOM 0 H LYS A 156 14.945 3.778 0.645 1.00 0.00 H new ATOM 0 HA LYS A 156 13.938 1.726 2.593 1.00 0.00 H new ATOM 0 HB2 LYS A 156 13.713 4.744 2.393 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.386 3.856 3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 156 13.786 2.947 4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 156 15.260 3.357 3.998 1.00 0.00 H new ATOM 0 HD2 LYS A 156 15.152 5.122 5.551 1.00 0.00 H new ATOM 0 HD3 LYS A 156 14.353 5.853 4.173 1.00 0.00 H new ATOM 0 HE2 LYS A 156 13.073 6.128 6.351 1.00 0.00 H new ATOM 0 HE3 LYS A 156 12.140 5.357 5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 12.374 4.326 7.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 12.184 3.353 6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 13.728 3.588 6.798 1.00 0.00 H new ATOM 240 N PHE A 157 11.383 2.324 1.634 1.00 0.00 N ATOM 241 CA PHE A 157 10.160 2.097 0.812 1.00 0.00 C ATOM 242 C PHE A 157 8.980 2.782 1.497 1.00 0.00 C ATOM 243 O PHE A 157 9.131 3.439 2.506 1.00 0.00 O ATOM 244 CB PHE A 157 9.863 0.596 0.703 1.00 0.00 C ATOM 245 CG PHE A 157 10.897 -0.072 -0.166 1.00 0.00 C ATOM 246 CD1 PHE A 157 12.186 -0.300 0.330 1.00 0.00 C ATOM 247 CD2 PHE A 157 10.564 -0.465 -1.468 1.00 0.00 C ATOM 248 CE1 PHE A 157 13.147 -0.922 -0.478 1.00 0.00 C ATOM 249 CE2 PHE A 157 11.523 -1.087 -2.277 1.00 0.00 C ATOM 250 CZ PHE A 157 12.815 -1.316 -1.782 1.00 0.00 C ATOM 0 H PHE A 157 11.214 2.432 2.634 1.00 0.00 H new ATOM 0 HA PHE A 157 10.317 2.503 -0.187 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.863 0.144 1.695 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.869 0.443 0.283 1.00 0.00 H new ATOM 0 HD1 PHE A 157 12.440 0.003 1.335 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.569 -0.289 -1.848 1.00 0.00 H new ATOM 0 HE1 PHE A 157 14.142 -1.098 -0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 157 11.268 -1.390 -3.282 1.00 0.00 H new ATOM 0 HZ PHE A 157 13.555 -1.796 -2.406 1.00 0.00 H new ATOM 260 N ALA A 158 7.804 2.624 0.964 1.00 0.00 N ATOM 261 CA ALA A 158 6.614 3.253 1.595 1.00 0.00 C ATOM 262 C ALA A 158 5.370 2.462 1.205 1.00 0.00 C ATOM 263 O ALA A 158 5.343 1.797 0.194 1.00 0.00 O ATOM 264 CB ALA A 158 6.474 4.700 1.116 1.00 0.00 C ATOM 0 H ALA A 158 7.615 2.086 0.118 1.00 0.00 H new ATOM 0 HA ALA A 158 6.730 3.249 2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.600 5.155 1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.366 5.262 1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.356 4.715 0.033 1.00 0.00 H new ATOM 270 N ALA A 159 4.342 2.530 1.999 1.00 0.00 N ATOM 271 CA ALA A 159 3.097 1.784 1.673 1.00 0.00 C ATOM 272 C ALA A 159 1.914 2.744 1.764 1.00 0.00 C ATOM 273 O ALA A 159 1.612 3.260 2.816 1.00 0.00 O ATOM 274 CB ALA A 159 2.908 0.642 2.672 1.00 0.00 C ATOM 0 H ALA A 159 4.309 3.072 2.863 1.00 0.00 H new ATOM 0 HA ALA A 159 3.164 1.370 0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 159 1.996 0.096 2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.761 -0.035 2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.833 1.049 3.680 1.00 0.00 H new ATOM 280 N GLU A 160 1.249 2.995 0.668 1.00 0.00 N ATOM 281 CA GLU A 160 0.091 3.934 0.699 1.00 0.00 C ATOM 282 C GLU A 160 -1.040 3.375 -0.168 1.00 0.00 C ATOM 283 O GLU A 160 -0.823 2.542 -1.026 1.00 0.00 O ATOM 284 CB GLU A 160 0.517 5.304 0.156 1.00 0.00 C ATOM 285 CG GLU A 160 2.026 5.492 0.337 1.00 0.00 C ATOM 286 CD GLU A 160 2.470 6.774 -0.368 1.00 0.00 C ATOM 287 OE1 GLU A 160 1.721 7.737 -0.330 1.00 0.00 O ATOM 288 OE2 GLU A 160 3.551 6.773 -0.935 1.00 0.00 O ATOM 0 H GLU A 160 1.457 2.591 -0.245 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.254 4.045 1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 160 0.256 5.383 -0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 160 -0.022 6.095 0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 160 2.272 5.544 1.398 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.561 4.635 -0.073 1.00 0.00 H new ATOM 295 N ILE A 161 -2.245 3.828 0.048 1.00 0.00 N ATOM 296 CA ILE A 161 -3.388 3.325 -0.764 1.00 0.00 C ATOM 297 C ILE A 161 -4.254 4.504 -1.207 1.00 0.00 C ATOM 298 O ILE A 161 -4.549 5.395 -0.435 1.00 0.00 O ATOM 299 CB ILE A 161 -4.234 2.366 0.077 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.487 1.972 -0.712 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.648 3.056 1.377 1.00 0.00 C ATOM 302 CD1 ILE A 161 -6.230 0.857 0.025 1.00 0.00 C ATOM 0 H ILE A 161 -2.487 4.525 0.752 1.00 0.00 H new ATOM 0 HA ILE A 161 -3.005 2.800 -1.639 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.652 1.474 0.310 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -6.139 2.837 -0.834 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -5.209 1.638 -1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -5.250 2.373 1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.757 3.341 1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -5.232 3.947 1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -7.121 0.579 -0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.578 -0.011 0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.522 1.207 1.015 1.00 0.00 H new ATOM 314 N ARG A 162 -4.668 4.516 -2.444 1.00 0.00 N ATOM 315 CA ARG A 162 -5.517 5.637 -2.934 1.00 0.00 C ATOM 316 C ARG A 162 -6.982 5.343 -2.606 1.00 0.00 C ATOM 317 O ARG A 162 -7.506 4.299 -2.942 1.00 0.00 O ATOM 318 CB ARG A 162 -5.351 5.775 -4.448 1.00 0.00 C ATOM 319 CG ARG A 162 -5.845 4.499 -5.133 1.00 0.00 C ATOM 320 CD ARG A 162 -4.984 4.211 -6.364 1.00 0.00 C ATOM 321 NE ARG A 162 -5.855 3.754 -7.485 1.00 0.00 N ATOM 322 CZ ARG A 162 -6.196 4.589 -8.428 1.00 0.00 C ATOM 323 NH1 ARG A 162 -7.187 5.416 -8.240 1.00 0.00 N ATOM 324 NH2 ARG A 162 -5.544 4.596 -9.559 1.00 0.00 N ATOM 0 H ARG A 162 -4.455 3.798 -3.136 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.214 6.565 -2.449 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -5.914 6.636 -4.809 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.304 5.952 -4.695 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -5.797 3.660 -4.439 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -6.889 4.612 -5.425 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -4.437 5.108 -6.656 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -4.242 3.447 -6.131 1.00 0.00 H new ATOM 0 HE ARG A 162 -6.184 2.789 -7.515 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -7.695 5.410 -7.356 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -7.453 6.069 -8.977 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -4.769 3.949 -9.705 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -5.810 5.248 -10.297 1.00 0.00 H new ATOM 338 N ASP A 163 -7.650 6.255 -1.955 1.00 0.00 N ATOM 339 CA ASP A 163 -9.082 6.022 -1.611 1.00 0.00 C ATOM 340 C ASP A 163 -9.956 7.041 -2.346 1.00 0.00 C ATOM 341 O ASP A 163 -10.206 8.119 -1.844 1.00 0.00 O ATOM 342 CB ASP A 163 -9.281 6.177 -0.102 1.00 0.00 C ATOM 343 CG ASP A 163 -10.739 5.876 0.250 1.00 0.00 C ATOM 344 OD1 ASP A 163 -11.538 5.768 -0.666 1.00 0.00 O ATOM 345 OD2 ASP A 163 -11.031 5.761 1.428 1.00 0.00 O ATOM 0 H ASP A 163 -7.268 7.149 -1.647 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.365 5.013 -1.912 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -8.618 5.499 0.435 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -9.022 7.189 0.208 1.00 0.00 H new ATOM 350 N PRO A 164 -10.395 6.663 -3.519 1.00 0.00 N ATOM 351 CA PRO A 164 -11.249 7.520 -4.359 1.00 0.00 C ATOM 352 C PRO A 164 -12.691 7.511 -3.841 1.00 0.00 C ATOM 353 O PRO A 164 -13.445 8.439 -4.060 1.00 0.00 O ATOM 354 CB PRO A 164 -11.157 6.870 -5.743 1.00 0.00 C ATOM 355 CG PRO A 164 -10.735 5.400 -5.509 1.00 0.00 C ATOM 356 CD PRO A 164 -10.082 5.348 -4.115 1.00 0.00 C ATOM 0 HA PRO A 164 -10.938 8.565 -4.364 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -12.115 6.921 -6.260 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -10.429 7.388 -6.368 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -11.598 4.736 -5.558 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -10.036 5.070 -6.277 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -10.487 4.533 -3.516 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -9.006 5.188 -4.185 1.00 0.00 H new ATOM 364 N ALA A 165 -13.078 6.471 -3.156 1.00 0.00 N ATOM 365 CA ALA A 165 -14.468 6.402 -2.626 1.00 0.00 C ATOM 366 C ALA A 165 -14.685 7.518 -1.601 1.00 0.00 C ATOM 367 O ALA A 165 -15.798 7.932 -1.348 1.00 0.00 O ATOM 368 CB ALA A 165 -14.690 5.044 -1.955 1.00 0.00 C ATOM 0 H ALA A 165 -12.491 5.665 -2.940 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.174 6.524 -3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.707 4.992 -1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.539 4.249 -2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.982 4.923 -1.135 1.00 0.00 H new ATOM 374 N LYS A 166 -13.631 8.010 -1.008 1.00 0.00 N ATOM 375 CA LYS A 166 -13.783 9.097 0.001 1.00 0.00 C ATOM 376 C LYS A 166 -13.645 10.456 -0.687 1.00 0.00 C ATOM 377 O LYS A 166 -13.317 11.446 -0.065 1.00 0.00 O ATOM 378 CB LYS A 166 -12.702 8.955 1.074 1.00 0.00 C ATOM 379 CG LYS A 166 -13.043 7.776 1.988 1.00 0.00 C ATOM 380 CD LYS A 166 -14.159 8.185 2.953 1.00 0.00 C ATOM 381 CE LYS A 166 -13.644 8.110 4.391 1.00 0.00 C ATOM 382 NZ LYS A 166 -13.940 6.761 4.955 1.00 0.00 N ATOM 0 H LYS A 166 -12.672 7.707 -1.178 1.00 0.00 H new ATOM 0 HA LYS A 166 -14.766 9.024 0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -11.730 8.798 0.607 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -12.631 9.873 1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -13.358 6.919 1.392 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -12.159 7.468 2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -14.495 9.197 2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -15.020 7.528 2.829 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -12.571 8.298 4.415 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -14.116 8.882 4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -13.590 6.709 5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -14.967 6.599 4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -13.469 6.033 4.380 1.00 0.00 H new ATOM 396 N ASN A 167 -13.894 10.513 -1.967 1.00 0.00 N ATOM 397 CA ASN A 167 -13.778 11.810 -2.690 1.00 0.00 C ATOM 398 C ASN A 167 -12.324 12.286 -2.658 1.00 0.00 C ATOM 399 O ASN A 167 -12.049 13.461 -2.523 1.00 0.00 O ATOM 400 CB ASN A 167 -14.672 12.850 -2.014 1.00 0.00 C ATOM 401 CG ASN A 167 -15.489 13.590 -3.075 1.00 0.00 C ATOM 402 OD1 ASN A 167 -16.695 13.685 -2.971 1.00 0.00 O ATOM 403 ND2 ASN A 167 -14.878 14.121 -4.099 1.00 0.00 N ATOM 0 H ASN A 167 -14.172 9.718 -2.542 1.00 0.00 H new ATOM 0 HA ASN A 167 -14.092 11.679 -3.725 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -15.338 12.364 -1.301 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -14.063 13.557 -1.451 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -15.414 14.616 -4.812 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -13.865 14.041 -4.186 1.00 0.00 H new ATOM 410 N GLY A 168 -11.390 11.382 -2.780 1.00 0.00 N ATOM 411 CA GLY A 168 -9.955 11.783 -2.757 1.00 0.00 C ATOM 412 C GLY A 168 -9.443 11.776 -1.315 1.00 0.00 C ATOM 413 O GLY A 168 -9.971 12.453 -0.455 1.00 0.00 O ATOM 0 H GLY A 168 -11.559 10.383 -2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -9.366 11.098 -3.366 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -9.838 12.776 -3.190 1.00 0.00 H new ATOM 417 N ALA A 169 -8.417 11.017 -1.043 1.00 0.00 N ATOM 418 CA ALA A 169 -7.873 10.968 0.343 1.00 0.00 C ATOM 419 C ALA A 169 -6.678 10.012 0.390 1.00 0.00 C ATOM 420 O ALA A 169 -6.796 8.874 0.797 1.00 0.00 O ATOM 421 CB ALA A 169 -8.960 10.473 1.300 1.00 0.00 C ATOM 0 H ALA A 169 -7.932 10.429 -1.721 1.00 0.00 H new ATOM 0 HA ALA A 169 -7.551 11.966 0.642 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -8.563 10.437 2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -9.811 11.154 1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -9.282 9.476 1.001 1.00 0.00 H new ATOM 427 N ARG A 170 -5.526 10.467 -0.022 1.00 0.00 N ATOM 428 CA ARG A 170 -4.323 9.587 -0.002 1.00 0.00 C ATOM 429 C ARG A 170 -4.173 8.957 1.385 1.00 0.00 C ATOM 430 O ARG A 170 -4.527 9.546 2.387 1.00 0.00 O ATOM 431 CB ARG A 170 -3.080 10.418 -0.319 1.00 0.00 C ATOM 432 CG ARG A 170 -2.714 10.250 -1.795 1.00 0.00 C ATOM 433 CD ARG A 170 -1.871 11.444 -2.252 1.00 0.00 C ATOM 434 NE ARG A 170 -0.644 10.949 -2.937 1.00 0.00 N ATOM 435 CZ ARG A 170 0.432 11.686 -2.961 1.00 0.00 C ATOM 436 NH1 ARG A 170 0.894 12.203 -1.856 1.00 0.00 N ATOM 437 NH2 ARG A 170 1.048 11.904 -4.091 1.00 0.00 N ATOM 0 H ARG A 170 -5.366 11.412 -0.372 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.436 8.800 -0.748 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -3.266 11.469 -0.097 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -2.248 10.102 0.311 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -2.159 9.323 -1.940 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -3.619 10.178 -2.399 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -2.449 12.074 -2.928 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -1.599 12.061 -1.395 1.00 0.00 H new ATOM 0 HE ARG A 170 -0.645 10.034 -3.387 1.00 0.00 H new ATOM 0 HH11 ARG A 170 0.414 12.031 -0.973 1.00 0.00 H new ATOM 0 HH12 ARG A 170 1.735 12.779 -1.875 1.00 0.00 H new ATOM 0 HH21 ARG A 170 0.688 11.498 -4.955 1.00 0.00 H new ATOM 0 HH22 ARG A 170 1.889 12.480 -4.110 1.00 0.00 H new ATOM 451 N VAL A 171 -3.646 7.764 1.451 1.00 0.00 N ATOM 452 CA VAL A 171 -3.469 7.098 2.773 1.00 0.00 C ATOM 453 C VAL A 171 -2.035 6.583 2.897 1.00 0.00 C ATOM 454 O VAL A 171 -1.722 5.485 2.480 1.00 0.00 O ATOM 455 CB VAL A 171 -4.443 5.925 2.888 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.080 5.076 4.107 1.00 0.00 C ATOM 457 CG2 VAL A 171 -5.866 6.463 3.048 1.00 0.00 C ATOM 0 H VAL A 171 -3.331 7.222 0.647 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.668 7.815 3.570 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.382 5.312 1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.775 4.240 4.188 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.065 4.695 3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.141 5.687 5.007 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.563 5.629 3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -5.925 7.075 3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.126 7.069 2.180 1.00 0.00 H new ATOM 467 N TRP A 172 -1.159 7.365 3.467 1.00 0.00 N ATOM 468 CA TRP A 172 0.254 6.912 3.614 1.00 0.00 C ATOM 469 C TRP A 172 0.377 5.996 4.834 1.00 0.00 C ATOM 470 O TRP A 172 0.532 6.448 5.950 1.00 0.00 O ATOM 471 CB TRP A 172 1.173 8.123 3.793 1.00 0.00 C ATOM 472 CG TRP A 172 2.597 7.663 3.887 1.00 0.00 C ATOM 473 CD1 TRP A 172 3.120 6.949 4.911 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.687 7.874 2.942 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.456 6.709 4.657 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.853 7.257 3.457 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.779 8.533 1.701 1.00 0.00 C ATOM 478 CZ2 TRP A 172 6.065 7.291 2.770 1.00 0.00 C ATOM 479 CZ3 TRP A 172 4.999 8.569 1.003 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.140 7.949 1.537 1.00 0.00 C ATOM 0 H TRP A 172 -1.359 8.295 3.836 1.00 0.00 H new ATOM 0 HA TRP A 172 0.547 6.366 2.717 1.00 0.00 H new ATOM 0 HB2 TRP A 172 1.056 8.808 2.954 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.897 8.672 4.693 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.579 6.620 5.786 1.00 0.00 H new ATOM 0 HE1 TRP A 172 5.073 6.190 5.281 1.00 0.00 H new ATOM 0 HE3 TRP A 172 2.907 9.014 1.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 6.940 6.813 3.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 5.059 9.076 0.051 1.00 0.00 H new ATOM 0 HH2 TRP A 172 7.075 7.980 0.997 1.00 0.00 H new ATOM 491 N LEU A 173 0.306 4.712 4.624 1.00 0.00 N ATOM 492 CA LEU A 173 0.422 3.758 5.762 1.00 0.00 C ATOM 493 C LEU A 173 1.707 4.053 6.541 1.00 0.00 C ATOM 494 O LEU A 173 1.693 4.196 7.748 1.00 0.00 O ATOM 495 CB LEU A 173 0.464 2.324 5.222 1.00 0.00 C ATOM 496 CG LEU A 173 -0.782 2.060 4.375 1.00 0.00 C ATOM 497 CD1 LEU A 173 -0.549 0.837 3.485 1.00 0.00 C ATOM 498 CD2 LEU A 173 -1.977 1.797 5.296 1.00 0.00 C ATOM 0 H LEU A 173 0.172 4.280 3.710 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.437 3.869 6.424 1.00 0.00 H new ATOM 0 HB2 LEU A 173 1.362 2.176 4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.512 1.614 6.048 1.00 0.00 H new ATOM 0 HG LEU A 173 -0.985 2.930 3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -1.438 0.651 2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 173 0.302 1.021 2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.345 -0.033 4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -2.866 1.609 4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -1.771 0.928 5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -2.146 2.667 5.930 1.00 0.00 H new ATOM 510 N GLY A 174 2.820 4.149 5.861 1.00 0.00 N ATOM 511 CA GLY A 174 4.102 4.440 6.571 1.00 0.00 C ATOM 512 C GLY A 174 5.285 3.945 5.735 1.00 0.00 C ATOM 513 O GLY A 174 5.127 3.176 4.808 1.00 0.00 O ATOM 0 H GLY A 174 2.897 4.039 4.850 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.194 5.511 6.749 1.00 0.00 H new ATOM 0 HA3 GLY A 174 4.106 3.954 7.546 1.00 0.00 H new ATOM 517 N THR A 175 6.475 4.383 6.059 1.00 0.00 N ATOM 518 CA THR A 175 7.669 3.940 5.286 1.00 0.00 C ATOM 519 C THR A 175 8.120 2.567 5.787 1.00 0.00 C ATOM 520 O THR A 175 8.013 2.256 6.956 1.00 0.00 O ATOM 521 CB THR A 175 8.805 4.950 5.471 1.00 0.00 C ATOM 522 OG1 THR A 175 9.471 4.692 6.699 1.00 0.00 O ATOM 523 CG2 THR A 175 8.233 6.366 5.485 1.00 0.00 C ATOM 0 H THR A 175 6.669 5.028 6.825 1.00 0.00 H new ATOM 0 HA THR A 175 7.412 3.875 4.229 1.00 0.00 H new ATOM 0 HB THR A 175 9.513 4.856 4.648 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.199 5.337 6.818 1.00 0.00 H new ATOM 0 HG21 THR A 175 9.042 7.084 5.617 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.724 6.562 4.541 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.524 6.464 6.307 1.00 0.00 H new ATOM 531 N PHE A 176 8.622 1.742 4.911 1.00 0.00 N ATOM 532 CA PHE A 176 9.076 0.389 5.336 1.00 0.00 C ATOM 533 C PHE A 176 10.566 0.229 5.030 1.00 0.00 C ATOM 534 O PHE A 176 11.244 1.177 4.687 1.00 0.00 O ATOM 535 CB PHE A 176 8.277 -0.670 4.578 1.00 0.00 C ATOM 536 CG PHE A 176 6.871 -0.700 5.122 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.940 0.262 4.707 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.501 -1.682 6.048 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.637 0.241 5.221 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.199 -1.704 6.561 1.00 0.00 C ATOM 541 CZ PHE A 176 4.266 -0.742 6.148 1.00 0.00 C ATOM 0 H PHE A 176 8.737 1.947 3.918 1.00 0.00 H new ATOM 0 HA PHE A 176 8.916 0.268 6.407 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.264 -0.442 3.512 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.746 -1.648 4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.227 1.019 3.992 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.220 -2.422 6.367 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.919 0.982 4.903 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.913 -2.462 7.275 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.262 -0.759 6.544 1.00 0.00 H new ATOM 551 N GLU A 177 11.082 -0.962 5.152 1.00 0.00 N ATOM 552 CA GLU A 177 12.528 -1.179 4.868 1.00 0.00 C ATOM 553 C GLU A 177 12.687 -1.782 3.473 1.00 0.00 C ATOM 554 O GLU A 177 13.683 -1.582 2.807 1.00 0.00 O ATOM 555 CB GLU A 177 13.113 -2.138 5.908 1.00 0.00 C ATOM 556 CG GLU A 177 13.015 -1.510 7.298 1.00 0.00 C ATOM 557 CD GLU A 177 14.333 -1.717 8.046 1.00 0.00 C ATOM 558 OE1 GLU A 177 15.372 -1.557 7.429 1.00 0.00 O ATOM 559 OE2 GLU A 177 14.280 -2.032 9.224 1.00 0.00 O ATOM 0 H GLU A 177 10.565 -1.794 5.436 1.00 0.00 H new ATOM 0 HA GLU A 177 13.055 -0.226 4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 177 12.574 -3.085 5.887 1.00 0.00 H new ATOM 0 HB3 GLU A 177 14.154 -2.358 5.670 1.00 0.00 H new ATOM 0 HG2 GLU A 177 12.796 -0.446 7.213 1.00 0.00 H new ATOM 0 HG3 GLU A 177 12.194 -1.961 7.855 1.00 0.00 H new ATOM 566 N THR A 178 11.712 -2.524 3.025 1.00 0.00 N ATOM 567 CA THR A 178 11.806 -3.142 1.674 1.00 0.00 C ATOM 568 C THR A 178 10.456 -3.026 0.963 1.00 0.00 C ATOM 569 O THR A 178 9.452 -2.700 1.566 1.00 0.00 O ATOM 570 CB THR A 178 12.177 -4.620 1.817 1.00 0.00 C ATOM 571 OG1 THR A 178 11.004 -5.379 2.070 1.00 0.00 O ATOM 572 CG2 THR A 178 13.159 -4.790 2.978 1.00 0.00 C ATOM 0 H THR A 178 10.854 -2.729 3.537 1.00 0.00 H new ATOM 0 HA THR A 178 12.570 -2.626 1.091 1.00 0.00 H new ATOM 0 HB THR A 178 12.643 -4.969 0.896 1.00 0.00 H new ATOM 0 HG1 THR A 178 11.253 -6.294 2.318 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.423 -5.843 3.080 1.00 0.00 H new ATOM 0 HG22 THR A 178 14.059 -4.207 2.782 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.695 -4.441 3.901 1.00 0.00 H new ATOM 580 N ALA A 179 10.423 -3.291 -0.314 1.00 0.00 N ATOM 581 CA ALA A 179 9.141 -3.197 -1.062 1.00 0.00 C ATOM 582 C ALA A 179 8.223 -4.344 -0.639 1.00 0.00 C ATOM 583 O ALA A 179 7.020 -4.258 -0.752 1.00 0.00 O ATOM 584 CB ALA A 179 9.419 -3.299 -2.561 1.00 0.00 C ATOM 0 H ALA A 179 11.231 -3.569 -0.871 1.00 0.00 H new ATOM 0 HA ALA A 179 8.660 -2.243 -0.844 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.480 -3.230 -3.111 1.00 0.00 H new ATOM 0 HB2 ALA A 179 10.078 -2.486 -2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 179 9.897 -4.254 -2.778 1.00 0.00 H new ATOM 590 N GLU A 180 8.783 -5.421 -0.160 1.00 0.00 N ATOM 591 CA GLU A 180 7.941 -6.577 0.263 1.00 0.00 C ATOM 592 C GLU A 180 7.230 -6.248 1.579 1.00 0.00 C ATOM 593 O GLU A 180 6.146 -6.726 1.846 1.00 0.00 O ATOM 594 CB GLU A 180 8.830 -7.807 0.460 1.00 0.00 C ATOM 595 CG GLU A 180 7.956 -9.043 0.682 1.00 0.00 C ATOM 596 CD GLU A 180 8.838 -10.292 0.718 1.00 0.00 C ATOM 597 OE1 GLU A 180 9.576 -10.445 1.677 1.00 0.00 O ATOM 598 OE2 GLU A 180 8.760 -11.074 -0.216 1.00 0.00 O ATOM 0 H GLU A 180 9.788 -5.551 -0.043 1.00 0.00 H new ATOM 0 HA GLU A 180 7.197 -6.780 -0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.466 -7.952 -0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.490 -7.658 1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 180 7.404 -8.948 1.617 1.00 0.00 H new ATOM 0 HG3 GLU A 180 7.219 -9.128 -0.116 1.00 0.00 H new ATOM 605 N ASP A 181 7.834 -5.439 2.405 1.00 0.00 N ATOM 606 CA ASP A 181 7.197 -5.082 3.702 1.00 0.00 C ATOM 607 C ASP A 181 6.174 -3.967 3.481 1.00 0.00 C ATOM 608 O ASP A 181 5.096 -3.982 4.040 1.00 0.00 O ATOM 609 CB ASP A 181 8.273 -4.602 4.680 1.00 0.00 C ATOM 610 CG ASP A 181 9.609 -5.274 4.351 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.585 -6.405 3.895 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.633 -4.643 4.561 1.00 0.00 O ATOM 0 H ASP A 181 8.744 -5.009 2.236 1.00 0.00 H new ATOM 0 HA ASP A 181 6.694 -5.957 4.113 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.376 -3.519 4.619 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.979 -4.837 5.703 1.00 0.00 H new ATOM 617 N ALA A 182 6.500 -2.997 2.670 1.00 0.00 N ATOM 618 CA ALA A 182 5.538 -1.887 2.420 1.00 0.00 C ATOM 619 C ALA A 182 4.352 -2.423 1.620 1.00 0.00 C ATOM 620 O ALA A 182 3.216 -2.063 1.856 1.00 0.00 O ATOM 621 CB ALA A 182 6.230 -0.774 1.630 1.00 0.00 C ATOM 0 H ALA A 182 7.387 -2.926 2.172 1.00 0.00 H new ATOM 0 HA ALA A 182 5.187 -1.485 3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.524 0.036 1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 182 7.078 -0.396 2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.582 -1.169 0.677 1.00 0.00 H new ATOM 627 N ALA A 183 4.608 -3.288 0.682 1.00 0.00 N ATOM 628 CA ALA A 183 3.497 -3.856 -0.128 1.00 0.00 C ATOM 629 C ALA A 183 2.626 -4.731 0.774 1.00 0.00 C ATOM 630 O ALA A 183 1.413 -4.695 0.707 1.00 0.00 O ATOM 631 CB ALA A 183 4.070 -4.703 -1.268 1.00 0.00 C ATOM 0 H ALA A 183 5.539 -3.627 0.441 1.00 0.00 H new ATOM 0 HA ALA A 183 2.899 -3.049 -0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.253 -5.118 -1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.698 -4.080 -1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.666 -5.516 -0.853 1.00 0.00 H new ATOM 637 N LEU A 184 3.240 -5.510 1.623 1.00 0.00 N ATOM 638 CA LEU A 184 2.453 -6.382 2.538 1.00 0.00 C ATOM 639 C LEU A 184 1.544 -5.507 3.401 1.00 0.00 C ATOM 640 O LEU A 184 0.367 -5.773 3.559 1.00 0.00 O ATOM 641 CB LEU A 184 3.415 -7.173 3.431 1.00 0.00 C ATOM 642 CG LEU A 184 3.120 -8.671 3.311 1.00 0.00 C ATOM 643 CD1 LEU A 184 3.802 -9.419 4.457 1.00 0.00 C ATOM 644 CD2 LEU A 184 1.609 -8.910 3.381 1.00 0.00 C ATOM 0 H LEU A 184 4.253 -5.579 1.722 1.00 0.00 H new ATOM 0 HA LEU A 184 1.844 -7.078 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 184 4.446 -6.971 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.309 -6.854 4.468 1.00 0.00 H new ATOM 0 HG LEU A 184 3.500 -9.035 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 184 3.592 -10.485 4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 184 4.879 -9.256 4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 184 3.422 -9.050 5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 184 1.405 -9.977 3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 184 1.226 -8.543 4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 184 1.119 -8.380 2.564 1.00 0.00 H new ATOM 656 N ALA A 185 2.081 -4.453 3.948 1.00 0.00 N ATOM 657 CA ALA A 185 1.250 -3.550 4.789 1.00 0.00 C ATOM 658 C ALA A 185 0.171 -2.918 3.912 1.00 0.00 C ATOM 659 O ALA A 185 -0.862 -2.492 4.389 1.00 0.00 O ATOM 660 CB ALA A 185 2.132 -2.454 5.390 1.00 0.00 C ATOM 0 H ALA A 185 3.058 -4.178 3.849 1.00 0.00 H new ATOM 0 HA ALA A 185 0.786 -4.116 5.597 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.522 -1.793 6.006 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.909 -2.908 6.005 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.594 -1.878 4.588 1.00 0.00 H new ATOM 666 N TYR A 186 0.403 -2.860 2.627 1.00 0.00 N ATOM 667 CA TYR A 186 -0.610 -2.262 1.713 1.00 0.00 C ATOM 668 C TYR A 186 -1.804 -3.207 1.602 1.00 0.00 C ATOM 669 O TYR A 186 -2.932 -2.783 1.474 1.00 0.00 O ATOM 670 CB TYR A 186 0.002 -2.058 0.325 1.00 0.00 C ATOM 671 CG TYR A 186 -1.075 -1.603 -0.628 1.00 0.00 C ATOM 672 CD1 TYR A 186 -2.010 -2.527 -1.111 1.00 0.00 C ATOM 673 CD2 TYR A 186 -1.148 -0.261 -1.020 1.00 0.00 C ATOM 674 CE1 TYR A 186 -3.016 -2.110 -1.990 1.00 0.00 C ATOM 675 CE2 TYR A 186 -2.156 0.157 -1.899 1.00 0.00 C ATOM 676 CZ TYR A 186 -3.090 -0.768 -2.384 1.00 0.00 C ATOM 677 OH TYR A 186 -4.084 -0.357 -3.248 1.00 0.00 O ATOM 0 H TYR A 186 1.250 -3.201 2.173 1.00 0.00 H new ATOM 0 HA TYR A 186 -0.933 -1.300 2.110 1.00 0.00 H new ATOM 0 HB2 TYR A 186 0.800 -1.317 0.371 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.449 -2.987 -0.029 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.955 -3.561 -0.805 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.428 0.451 -0.645 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.735 -2.823 -2.365 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -2.213 1.192 -2.203 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.993 0.604 -3.418 1.00 0.00 H new ATOM 687 N ASP A 187 -1.561 -4.488 1.646 1.00 0.00 N ATOM 688 CA ASP A 187 -2.676 -5.463 1.545 1.00 0.00 C ATOM 689 C ASP A 187 -3.610 -5.289 2.742 1.00 0.00 C ATOM 690 O ASP A 187 -4.817 -5.331 2.617 1.00 0.00 O ATOM 691 CB ASP A 187 -2.098 -6.877 1.551 1.00 0.00 C ATOM 692 CG ASP A 187 -1.347 -7.128 0.243 1.00 0.00 C ATOM 693 OD1 ASP A 187 -1.052 -6.162 -0.443 1.00 0.00 O ATOM 694 OD2 ASP A 187 -1.079 -8.281 -0.052 1.00 0.00 O ATOM 0 H ASP A 187 -0.634 -4.900 1.748 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.234 -5.296 0.624 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.425 -7.002 2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -2.898 -7.608 1.669 1.00 0.00 H new ATOM 699 N ARG A 188 -3.052 -5.100 3.904 1.00 0.00 N ATOM 700 CA ARG A 188 -3.895 -4.927 5.122 1.00 0.00 C ATOM 701 C ARG A 188 -4.803 -3.704 4.970 1.00 0.00 C ATOM 702 O ARG A 188 -5.996 -3.775 5.193 1.00 0.00 O ATOM 703 CB ARG A 188 -2.990 -4.738 6.341 1.00 0.00 C ATOM 704 CG ARG A 188 -3.282 -5.832 7.368 1.00 0.00 C ATOM 705 CD ARG A 188 -2.139 -6.848 7.370 1.00 0.00 C ATOM 706 NE ARG A 188 -2.513 -8.015 6.523 1.00 0.00 N ATOM 707 CZ ARG A 188 -3.493 -8.800 6.884 1.00 0.00 C ATOM 708 NH1 ARG A 188 -4.057 -8.648 8.052 1.00 0.00 N ATOM 709 NH2 ARG A 188 -3.909 -9.738 6.077 1.00 0.00 N ATOM 0 H ARG A 188 -2.046 -5.058 4.065 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.515 -5.814 5.253 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -1.943 -4.778 6.040 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -3.158 -3.756 6.783 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -3.395 -5.394 8.360 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -4.223 -6.328 7.129 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -1.227 -6.387 6.991 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -1.931 -7.176 8.389 1.00 0.00 H new ATOM 0 HE ARG A 188 -2.003 -8.202 5.660 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -3.733 -7.916 8.684 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -4.822 -9.261 8.333 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -3.469 -9.858 5.165 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -4.674 -10.351 6.359 1.00 0.00 H new ATOM 723 N ALA A 189 -4.252 -2.583 4.604 1.00 0.00 N ATOM 724 CA ALA A 189 -5.089 -1.356 4.451 1.00 0.00 C ATOM 725 C ALA A 189 -5.923 -1.454 3.171 1.00 0.00 C ATOM 726 O ALA A 189 -6.905 -0.757 3.003 1.00 0.00 O ATOM 727 CB ALA A 189 -4.184 -0.124 4.374 1.00 0.00 C ATOM 0 H ALA A 189 -3.259 -2.460 4.404 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.754 -1.267 5.310 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.796 0.771 4.262 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.594 -0.048 5.287 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.516 -0.216 3.517 1.00 0.00 H new ATOM 733 N ALA A 190 -5.542 -2.314 2.269 1.00 0.00 N ATOM 734 CA ALA A 190 -6.311 -2.458 1.002 1.00 0.00 C ATOM 735 C ALA A 190 -7.376 -3.540 1.175 1.00 0.00 C ATOM 736 O ALA A 190 -8.188 -3.771 0.302 1.00 0.00 O ATOM 737 CB ALA A 190 -5.361 -2.851 -0.131 1.00 0.00 C ATOM 0 H ALA A 190 -4.730 -2.925 2.355 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.792 -1.511 0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -5.924 -2.956 -1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.602 -2.079 -0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -4.879 -3.798 0.110 1.00 0.00 H new ATOM 743 N PHE A 191 -7.384 -4.201 2.298 1.00 0.00 N ATOM 744 CA PHE A 191 -8.399 -5.261 2.530 1.00 0.00 C ATOM 745 C PHE A 191 -9.439 -4.740 3.521 1.00 0.00 C ATOM 746 O PHE A 191 -10.603 -5.082 3.455 1.00 0.00 O ATOM 747 CB PHE A 191 -7.719 -6.506 3.101 1.00 0.00 C ATOM 748 CG PHE A 191 -8.406 -7.740 2.572 1.00 0.00 C ATOM 749 CD1 PHE A 191 -9.663 -8.101 3.068 1.00 0.00 C ATOM 750 CD2 PHE A 191 -7.789 -8.521 1.587 1.00 0.00 C ATOM 751 CE1 PHE A 191 -10.307 -9.245 2.581 1.00 0.00 C ATOM 752 CE2 PHE A 191 -8.433 -9.667 1.098 1.00 0.00 C ATOM 753 CZ PHE A 191 -9.692 -10.029 1.595 1.00 0.00 C ATOM 0 H PHE A 191 -6.729 -4.051 3.066 1.00 0.00 H new ATOM 0 HA PHE A 191 -8.885 -5.522 1.590 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.665 -6.517 2.825 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.763 -6.491 4.190 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -10.137 -7.497 3.827 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -6.819 -8.241 1.204 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -11.277 -9.523 2.965 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -7.958 -10.270 0.338 1.00 0.00 H new ATOM 0 HZ PHE A 191 -10.188 -10.911 1.219 1.00 0.00 H new ATOM 763 N ARG A 192 -9.027 -3.901 4.432 1.00 0.00 N ATOM 764 CA ARG A 192 -9.988 -3.342 5.420 1.00 0.00 C ATOM 765 C ARG A 192 -10.784 -2.222 4.753 1.00 0.00 C ATOM 766 O ARG A 192 -11.979 -2.100 4.933 1.00 0.00 O ATOM 767 CB ARG A 192 -9.222 -2.779 6.617 1.00 0.00 C ATOM 768 CG ARG A 192 -8.292 -3.854 7.182 1.00 0.00 C ATOM 769 CD ARG A 192 -8.994 -4.590 8.325 1.00 0.00 C ATOM 770 NE ARG A 192 -8.115 -4.592 9.529 1.00 0.00 N ATOM 771 CZ ARG A 192 -6.984 -5.242 9.512 1.00 0.00 C ATOM 772 NH1 ARG A 192 -6.913 -6.415 8.941 1.00 0.00 N ATOM 773 NH2 ARG A 192 -5.924 -4.722 10.068 1.00 0.00 N ATOM 0 H ARG A 192 -8.064 -3.579 4.533 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.664 -4.125 5.763 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -8.644 -1.906 6.314 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -9.920 -2.447 7.385 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -8.015 -4.559 6.398 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -7.369 -3.399 7.542 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -9.943 -4.106 8.555 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -9.223 -5.613 8.027 1.00 0.00 H new ATOM 0 HE ARG A 192 -8.398 -4.084 10.367 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -7.742 -6.823 8.508 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -6.029 -6.923 8.928 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -5.980 -3.807 10.516 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -5.040 -5.230 10.055 1.00 0.00 H new ATOM 787 N MET A 193 -10.125 -1.407 3.977 1.00 0.00 N ATOM 788 CA MET A 193 -10.837 -0.296 3.287 1.00 0.00 C ATOM 789 C MET A 193 -11.729 -0.875 2.188 1.00 0.00 C ATOM 790 O MET A 193 -12.795 -0.366 1.907 1.00 0.00 O ATOM 791 CB MET A 193 -9.811 0.652 2.663 1.00 0.00 C ATOM 792 CG MET A 193 -10.520 1.913 2.162 1.00 0.00 C ATOM 793 SD MET A 193 -9.386 2.869 1.124 1.00 0.00 S ATOM 794 CE MET A 193 -8.241 3.359 2.436 1.00 0.00 C ATOM 0 H MET A 193 -9.124 -1.463 3.791 1.00 0.00 H new ATOM 0 HA MET A 193 -11.449 0.251 4.005 1.00 0.00 H new ATOM 0 HB2 MET A 193 -9.051 0.917 3.398 1.00 0.00 H new ATOM 0 HB3 MET A 193 -9.298 0.158 1.838 1.00 0.00 H new ATOM 0 HG2 MET A 193 -11.410 1.642 1.594 1.00 0.00 H new ATOM 0 HG3 MET A 193 -10.853 2.516 3.007 1.00 0.00 H new ATOM 0 HE1 MET A 193 -7.572 4.134 2.064 1.00 0.00 H new ATOM 0 HE2 MET A 193 -8.805 3.744 3.286 1.00 0.00 H new ATOM 0 HE3 MET A 193 -7.656 2.495 2.750 1.00 0.00 H new ATOM 804 N ARG A 194 -11.300 -1.940 1.569 1.00 0.00 N ATOM 805 CA ARG A 194 -12.123 -2.558 0.493 1.00 0.00 C ATOM 806 C ARG A 194 -13.141 -3.506 1.125 1.00 0.00 C ATOM 807 O ARG A 194 -14.114 -3.892 0.508 1.00 0.00 O ATOM 808 CB ARG A 194 -11.213 -3.346 -0.451 1.00 0.00 C ATOM 809 CG ARG A 194 -11.201 -2.681 -1.829 1.00 0.00 C ATOM 810 CD ARG A 194 -10.055 -3.257 -2.663 1.00 0.00 C ATOM 811 NE ARG A 194 -9.433 -2.170 -3.471 1.00 0.00 N ATOM 812 CZ ARG A 194 -9.096 -2.392 -4.712 1.00 0.00 C ATOM 813 NH1 ARG A 194 -8.700 -3.581 -5.080 1.00 0.00 N ATOM 814 NH2 ARG A 194 -9.152 -1.426 -5.587 1.00 0.00 N ATOM 0 H ARG A 194 -10.415 -2.409 1.762 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.642 -1.781 -0.067 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.201 -3.387 -0.047 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.564 -4.375 -0.536 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -12.152 -2.849 -2.334 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -11.082 -1.603 -1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -9.309 -3.712 -2.011 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -10.428 -4.044 -3.318 1.00 0.00 H new ATOM 0 HE ARG A 194 -9.271 -1.253 -3.054 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -8.654 -4.337 -4.397 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -8.437 -3.753 -6.050 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -9.459 -0.496 -5.301 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -8.888 -1.600 -6.557 1.00 0.00 H new ATOM 828 N GLY A 195 -12.923 -3.886 2.353 1.00 0.00 N ATOM 829 CA GLY A 195 -13.877 -4.811 3.028 1.00 0.00 C ATOM 830 C GLY A 195 -13.897 -6.149 2.287 1.00 0.00 C ATOM 831 O GLY A 195 -13.158 -7.059 2.608 1.00 0.00 O ATOM 0 H GLY A 195 -12.125 -3.596 2.919 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -13.581 -4.962 4.066 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -14.876 -4.375 3.041 1.00 0.00 H new ATOM 835 N SER A 196 -14.737 -6.277 1.297 1.00 0.00 N ATOM 836 CA SER A 196 -14.804 -7.556 0.536 1.00 0.00 C ATOM 837 C SER A 196 -13.412 -7.914 0.015 1.00 0.00 C ATOM 838 O SER A 196 -12.429 -7.288 0.358 1.00 0.00 O ATOM 839 CB SER A 196 -15.762 -7.397 -0.644 1.00 0.00 C ATOM 840 OG SER A 196 -15.038 -6.931 -1.776 1.00 0.00 O ATOM 0 H SER A 196 -15.380 -5.551 0.982 1.00 0.00 H new ATOM 0 HA SER A 196 -15.162 -8.350 1.192 1.00 0.00 H new ATOM 0 HB2 SER A 196 -16.240 -8.350 -0.870 1.00 0.00 H new ATOM 0 HB3 SER A 196 -16.556 -6.694 -0.391 1.00 0.00 H new ATOM 0 HG SER A 196 -15.649 -6.829 -2.536 1.00 0.00 H new ATOM 846 N ARG A 197 -13.320 -8.918 -0.813 1.00 0.00 N ATOM 847 CA ARG A 197 -11.992 -9.315 -1.356 1.00 0.00 C ATOM 848 C ARG A 197 -11.322 -8.098 -1.994 1.00 0.00 C ATOM 849 O ARG A 197 -11.816 -6.991 -1.910 1.00 0.00 O ATOM 850 CB ARG A 197 -12.178 -10.408 -2.411 1.00 0.00 C ATOM 851 CG ARG A 197 -12.232 -11.775 -1.725 1.00 0.00 C ATOM 852 CD ARG A 197 -13.664 -12.313 -1.766 1.00 0.00 C ATOM 853 NE ARG A 197 -13.695 -13.681 -1.176 1.00 0.00 N ATOM 854 CZ ARG A 197 -14.141 -14.685 -1.880 1.00 0.00 C ATOM 855 NH1 ARG A 197 -13.404 -15.193 -2.830 1.00 0.00 N ATOM 856 NH2 ARG A 197 -15.323 -15.181 -1.635 1.00 0.00 N ATOM 0 H ARG A 197 -14.107 -9.480 -1.137 1.00 0.00 H new ATOM 0 HA ARG A 197 -11.366 -9.694 -0.549 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -13.096 -10.234 -2.972 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -11.357 -10.381 -3.127 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -11.557 -12.470 -2.224 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -11.895 -11.689 -0.692 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -14.329 -11.651 -1.212 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -14.025 -12.340 -2.794 1.00 0.00 H new ATOM 0 HE ARG A 197 -13.368 -13.833 -0.222 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -12.480 -14.805 -3.021 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -13.752 -15.978 -3.381 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -15.899 -14.784 -0.893 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -15.671 -15.966 -2.186 1.00 0.00 H new ATOM 870 N ALA A 198 -10.201 -8.291 -2.633 1.00 0.00 N ATOM 871 CA ALA A 198 -9.504 -7.142 -3.274 1.00 0.00 C ATOM 872 C ALA A 198 -8.192 -7.626 -3.896 1.00 0.00 C ATOM 873 O ALA A 198 -7.675 -8.667 -3.544 1.00 0.00 O ATOM 874 CB ALA A 198 -9.206 -6.074 -2.219 1.00 0.00 C ATOM 0 H ALA A 198 -9.738 -9.194 -2.739 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.140 -6.717 -4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.696 -5.232 -2.687 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.140 -5.730 -1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.569 -6.498 -1.442 1.00 0.00 H new ATOM 880 N LEU A 199 -7.651 -6.877 -4.817 1.00 0.00 N ATOM 881 CA LEU A 199 -6.373 -7.296 -5.460 1.00 0.00 C ATOM 882 C LEU A 199 -5.198 -6.621 -4.751 1.00 0.00 C ATOM 883 O LEU A 199 -5.043 -5.416 -4.797 1.00 0.00 O ATOM 884 CB LEU A 199 -6.384 -6.882 -6.932 1.00 0.00 C ATOM 885 CG LEU A 199 -7.604 -7.492 -7.625 1.00 0.00 C ATOM 886 CD1 LEU A 199 -8.789 -6.533 -7.510 1.00 0.00 C ATOM 887 CD2 LEU A 199 -7.282 -7.733 -9.101 1.00 0.00 C ATOM 0 H LEU A 199 -8.038 -5.994 -5.152 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.268 -8.378 -5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -6.411 -5.795 -7.015 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.469 -7.216 -7.422 1.00 0.00 H new ATOM 0 HG LEU A 199 -7.858 -8.439 -7.149 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.658 -6.968 -8.004 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.017 -6.361 -6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.538 -5.585 -7.986 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -8.150 -8.168 -9.597 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -7.029 -6.786 -9.577 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -6.438 -8.417 -9.182 1.00 0.00 H new ATOM 899 N LEU A 200 -4.369 -7.386 -4.097 1.00 0.00 N ATOM 900 CA LEU A 200 -3.203 -6.786 -3.387 1.00 0.00 C ATOM 901 C LEU A 200 -1.910 -7.269 -4.042 1.00 0.00 C ATOM 902 O LEU A 200 -1.929 -8.040 -4.980 1.00 0.00 O ATOM 903 CB LEU A 200 -3.195 -7.207 -1.908 1.00 0.00 C ATOM 904 CG LEU A 200 -4.493 -7.934 -1.546 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.359 -8.552 -0.153 1.00 0.00 C ATOM 906 CD2 LEU A 200 -5.652 -6.936 -1.550 1.00 0.00 C ATOM 0 H LEU A 200 -4.448 -8.400 -4.023 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.279 -5.700 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.342 -7.857 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.076 -6.328 -1.275 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.686 -8.720 -2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.283 -9.070 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.532 -9.261 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.167 -7.766 0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.577 -7.452 -1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.459 -6.151 -0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -5.747 -6.493 -2.541 1.00 0.00 H new ATOM 918 N ASN A 201 -0.785 -6.836 -3.543 1.00 0.00 N ATOM 919 CA ASN A 201 0.506 -7.292 -4.129 1.00 0.00 C ATOM 920 C ASN A 201 0.721 -8.750 -3.732 1.00 0.00 C ATOM 921 O ASN A 201 1.304 -9.530 -4.457 1.00 0.00 O ATOM 922 CB ASN A 201 1.665 -6.449 -3.585 1.00 0.00 C ATOM 923 CG ASN A 201 1.163 -5.066 -3.164 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.262 -4.711 -1.914 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.681 -4.304 -3.979 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.704 -6.189 -2.758 1.00 0.00 H new ATOM 0 HA ASN A 201 0.474 -7.185 -5.213 1.00 0.00 H new ATOM 0 HB2 ASN A 201 2.122 -6.953 -2.733 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.438 -6.347 -4.347 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.605 -4.584 -4.957 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.353 -3.384 -3.685 1.00 0.00 H new ATOM 932 N PHE A 202 0.240 -9.118 -2.575 1.00 0.00 N ATOM 933 CA PHE A 202 0.396 -10.519 -2.103 1.00 0.00 C ATOM 934 C PHE A 202 -0.986 -11.077 -1.743 1.00 0.00 C ATOM 935 O PHE A 202 -1.296 -11.257 -0.582 1.00 0.00 O ATOM 936 CB PHE A 202 1.295 -10.534 -0.864 1.00 0.00 C ATOM 937 CG PHE A 202 2.437 -9.568 -1.059 1.00 0.00 C ATOM 938 CD1 PHE A 202 3.097 -9.503 -2.292 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.841 -8.742 -0.004 1.00 0.00 C ATOM 940 CE1 PHE A 202 4.161 -8.611 -2.470 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.905 -7.850 -0.182 1.00 0.00 C ATOM 942 CZ PHE A 202 4.566 -7.784 -1.414 1.00 0.00 C ATOM 0 H PHE A 202 -0.258 -8.501 -1.933 1.00 0.00 H new ATOM 0 HA PHE A 202 0.847 -11.131 -2.885 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.719 -10.259 0.020 1.00 0.00 H new ATOM 0 HB3 PHE A 202 1.680 -11.539 -0.693 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.785 -10.141 -3.106 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.332 -8.793 0.947 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.670 -8.560 -3.421 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.216 -7.212 0.632 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.387 -7.096 -1.551 1.00 0.00 H new ATOM 952 N PRO A 203 -1.777 -11.324 -2.756 1.00 0.00 N ATOM 953 CA PRO A 203 -3.143 -11.852 -2.588 1.00 0.00 C ATOM 954 C PRO A 203 -3.107 -13.351 -2.271 1.00 0.00 C ATOM 955 O PRO A 203 -2.224 -14.067 -2.700 1.00 0.00 O ATOM 956 CB PRO A 203 -3.799 -11.592 -3.947 1.00 0.00 C ATOM 957 CG PRO A 203 -2.645 -11.459 -4.970 1.00 0.00 C ATOM 958 CD PRO A 203 -1.381 -11.106 -4.163 1.00 0.00 C ATOM 0 HA PRO A 203 -3.684 -11.386 -1.765 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -4.467 -12.409 -4.219 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.401 -10.684 -3.920 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -2.506 -12.389 -5.521 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -2.865 -10.684 -5.704 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -0.540 -11.740 -4.443 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.074 -10.074 -4.335 1.00 0.00 H new