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 -151:sc= 0.34 USER MOD Single : A 151 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.0011) USER MOD Single : A 156 LYS NZ :NH3+ -156:sc= -0.0547 (180deg=-0.362) 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=-0.093) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot -170:sc= -2.61! USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 MET CE :methyl 169:sc= -4.69! (180deg=-5.19!) USER MOD Single : A 196 SER OG : rot 27:sc= 0.558! USER MOD Single : A 201 ASN :FLIP amide:sc= -3.87! C(o=-9.5!,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.629 -3.093 -6.685 1.00 0.00 N ATOM 41 CA TYR A 146 4.254 -3.338 -6.166 1.00 0.00 C ATOM 42 C TYR A 146 3.382 -2.106 -6.421 1.00 0.00 C ATOM 43 O TYR A 146 3.874 -1.011 -6.610 1.00 0.00 O ATOM 44 CB TYR A 146 4.313 -3.607 -4.662 1.00 0.00 C ATOM 45 CG TYR A 146 5.031 -4.905 -4.404 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.754 -6.029 -5.191 1.00 0.00 C ATOM 47 CD2 TYR A 146 5.964 -4.989 -3.365 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.411 -7.239 -4.938 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.623 -6.196 -3.112 1.00 0.00 C ATOM 50 CZ TYR A 146 6.347 -7.324 -3.897 1.00 0.00 C ATOM 51 OH TYR A 146 6.994 -8.515 -3.646 1.00 0.00 O ATOM 0 HA TYR A 146 3.828 -4.202 -6.676 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.828 -2.790 -4.157 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.304 -3.651 -4.251 1.00 0.00 H new ATOM 0 HD1 TYR A 146 4.034 -5.963 -5.993 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.175 -4.121 -2.758 1.00 0.00 H new ATOM 0 HE1 TYR A 146 5.197 -8.107 -5.544 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.345 -6.259 -2.311 1.00 0.00 H new ATOM 0 HH TYR A 146 7.225 -8.568 -2.695 1.00 0.00 H new ATOM 61 N ARG A 147 2.089 -2.278 -6.423 1.00 0.00 N ATOM 62 CA ARG A 147 1.182 -1.120 -6.665 1.00 0.00 C ATOM 63 C ARG A 147 1.016 -0.317 -5.373 1.00 0.00 C ATOM 64 O ARG A 147 0.236 -0.666 -4.510 1.00 0.00 O ATOM 65 CB ARG A 147 -0.185 -1.634 -7.119 1.00 0.00 C ATOM 66 CG ARG A 147 -0.110 -2.055 -8.588 1.00 0.00 C ATOM 67 CD ARG A 147 -0.538 -0.884 -9.475 1.00 0.00 C ATOM 68 NE ARG A 147 0.221 -0.931 -10.757 1.00 0.00 N ATOM 69 CZ ARG A 147 0.924 0.102 -11.137 1.00 0.00 C ATOM 70 NH1 ARG A 147 0.529 1.308 -10.830 1.00 0.00 N ATOM 71 NH2 ARG A 147 2.021 -0.071 -11.823 1.00 0.00 N ATOM 0 H ARG A 147 1.621 -3.171 -6.267 1.00 0.00 H new ATOM 0 HA ARG A 147 1.610 -0.480 -7.437 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.490 -2.479 -6.503 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.939 -0.857 -6.990 1.00 0.00 H new ATOM 0 HG2 ARG A 147 0.905 -2.363 -8.838 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.756 -2.915 -8.765 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.609 -0.935 -9.672 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -0.352 0.061 -8.964 1.00 0.00 H new ATOM 0 HE ARG A 147 0.191 -1.769 -11.337 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -0.328 1.443 -10.294 1.00 0.00 H new ATOM 0 HH12 ARG A 147 1.078 2.115 -11.126 1.00 0.00 H new ATOM 0 HH21 ARG A 147 2.329 -1.013 -12.063 1.00 0.00 H new ATOM 0 HH22 ARG A 147 2.570 0.736 -12.120 1.00 0.00 H new ATOM 85 N GLY A 148 1.739 0.762 -5.234 1.00 0.00 N ATOM 86 CA GLY A 148 1.614 1.588 -3.999 1.00 0.00 C ATOM 87 C GLY A 148 2.936 1.578 -3.228 1.00 0.00 C ATOM 88 O GLY A 148 3.118 2.317 -2.283 1.00 0.00 O ATOM 0 H GLY A 148 2.410 1.106 -5.921 1.00 0.00 H new ATOM 0 HA2 GLY A 148 1.344 2.611 -4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.814 1.198 -3.370 1.00 0.00 H new ATOM 92 N VAL A 149 3.860 0.744 -3.617 1.00 0.00 N ATOM 93 CA VAL A 149 5.162 0.693 -2.892 1.00 0.00 C ATOM 94 C VAL A 149 6.223 1.465 -3.678 1.00 0.00 C ATOM 95 O VAL A 149 6.628 1.066 -4.752 1.00 0.00 O ATOM 96 CB VAL A 149 5.603 -0.764 -2.741 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.964 -0.819 -2.045 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.571 -1.524 -1.904 1.00 0.00 C ATOM 0 H VAL A 149 3.772 0.098 -4.402 1.00 0.00 H new ATOM 0 HA VAL A 149 5.043 1.145 -1.907 1.00 0.00 H new ATOM 0 HB VAL A 149 5.682 -1.222 -3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 149 7.276 -1.858 -1.938 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.699 -0.278 -2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.887 -0.360 -1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 149 4.884 -2.562 -1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 149 4.492 -1.064 -0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.601 -1.487 -2.401 1.00 0.00 H new ATOM 108 N ARG A 150 6.681 2.563 -3.145 1.00 0.00 N ATOM 109 CA ARG A 150 7.721 3.357 -3.854 1.00 0.00 C ATOM 110 C ARG A 150 9.104 2.899 -3.389 1.00 0.00 C ATOM 111 O ARG A 150 9.619 3.358 -2.389 1.00 0.00 O ATOM 112 CB ARG A 150 7.538 4.842 -3.534 1.00 0.00 C ATOM 113 CG ARG A 150 7.916 5.679 -4.757 1.00 0.00 C ATOM 114 CD ARG A 150 8.487 7.022 -4.300 1.00 0.00 C ATOM 115 NE ARG A 150 7.382 8.012 -4.162 1.00 0.00 N ATOM 116 CZ ARG A 150 7.175 8.893 -5.103 1.00 0.00 C ATOM 117 NH1 ARG A 150 7.982 9.909 -5.233 1.00 0.00 N ATOM 118 NH2 ARG A 150 6.160 8.758 -5.911 1.00 0.00 N ATOM 0 H ARG A 150 6.380 2.945 -2.248 1.00 0.00 H new ATOM 0 HA ARG A 150 7.628 3.208 -4.930 1.00 0.00 H new ATOM 0 HB2 ARG A 150 6.504 5.039 -3.251 1.00 0.00 H new ATOM 0 HB3 ARG A 150 8.160 5.121 -2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 150 8.650 5.147 -5.362 1.00 0.00 H new ATOM 0 HG3 ARG A 150 7.040 5.839 -5.386 1.00 0.00 H new ATOM 0 HD2 ARG A 150 9.004 6.904 -3.348 1.00 0.00 H new ATOM 0 HD3 ARG A 150 9.222 7.380 -5.020 1.00 0.00 H new ATOM 0 HE ARG A 150 6.788 8.001 -3.333 1.00 0.00 H new ATOM 0 HH11 ARG A 150 8.775 10.015 -4.600 1.00 0.00 H new ATOM 0 HH12 ARG A 150 7.821 10.598 -5.968 1.00 0.00 H new ATOM 0 HH21 ARG A 150 5.528 7.964 -5.808 1.00 0.00 H new ATOM 0 HH22 ARG A 150 5.998 9.446 -6.646 1.00 0.00 H new ATOM 132 N GLN A 151 9.707 1.987 -4.104 1.00 0.00 N ATOM 133 CA GLN A 151 11.052 1.490 -3.700 1.00 0.00 C ATOM 134 C GLN A 151 12.100 2.576 -3.953 1.00 0.00 C ATOM 135 O GLN A 151 12.117 3.208 -4.990 1.00 0.00 O ATOM 136 CB GLN A 151 11.399 0.242 -4.515 1.00 0.00 C ATOM 137 CG GLN A 151 11.182 0.526 -6.003 1.00 0.00 C ATOM 138 CD GLN A 151 10.218 -0.509 -6.582 1.00 0.00 C ATOM 139 OE1 GLN A 151 10.517 -1.149 -7.571 1.00 0.00 O ATOM 140 NE2 GLN A 151 9.063 -0.702 -6.006 1.00 0.00 N ATOM 0 H GLN A 151 9.325 1.565 -4.951 1.00 0.00 H new ATOM 0 HA GLN A 151 11.042 1.241 -2.639 1.00 0.00 H new ATOM 0 HB2 GLN A 151 12.435 -0.045 -4.336 1.00 0.00 H new ATOM 0 HB3 GLN A 151 10.777 -0.596 -4.199 1.00 0.00 H new ATOM 0 HG2 GLN A 151 10.779 1.530 -6.138 1.00 0.00 H new ATOM 0 HG3 GLN A 151 12.133 0.490 -6.534 1.00 0.00 H new ATOM 0 HE21 GLN A 151 8.811 -0.165 -5.176 1.00 0.00 H new ATOM 0 HE22 GLN A 151 8.412 -1.389 -6.386 1.00 0.00 H new ATOM 149 N ARG A 152 12.976 2.795 -3.009 1.00 0.00 N ATOM 150 CA ARG A 152 14.025 3.839 -3.190 1.00 0.00 C ATOM 151 C ARG A 152 15.408 3.177 -3.210 1.00 0.00 C ATOM 152 O ARG A 152 15.566 2.063 -2.754 1.00 0.00 O ATOM 153 CB ARG A 152 13.956 4.840 -2.036 1.00 0.00 C ATOM 154 CG ARG A 152 13.501 6.200 -2.568 1.00 0.00 C ATOM 155 CD ARG A 152 14.151 7.313 -1.745 1.00 0.00 C ATOM 156 NE ARG A 152 13.681 8.637 -2.242 1.00 0.00 N ATOM 157 CZ ARG A 152 14.242 9.733 -1.810 1.00 0.00 C ATOM 158 NH1 ARG A 152 14.461 9.896 -0.534 1.00 0.00 N ATOM 159 NH2 ARG A 152 14.585 10.667 -2.655 1.00 0.00 N ATOM 0 H ARG A 152 13.010 2.296 -2.120 1.00 0.00 H new ATOM 0 HA ARG A 152 13.858 4.360 -4.133 1.00 0.00 H new ATOM 0 HB2 ARG A 152 13.263 4.485 -1.274 1.00 0.00 H new ATOM 0 HB3 ARG A 152 14.933 4.932 -1.561 1.00 0.00 H new ATOM 0 HG2 ARG A 152 13.775 6.302 -3.618 1.00 0.00 H new ATOM 0 HG3 ARG A 152 12.415 6.279 -2.513 1.00 0.00 H new ATOM 0 HD2 ARG A 152 13.897 7.197 -0.691 1.00 0.00 H new ATOM 0 HD3 ARG A 152 15.237 7.249 -1.820 1.00 0.00 H new ATOM 0 HE ARG A 152 12.921 8.686 -2.920 1.00 0.00 H new ATOM 0 HH11 ARG A 152 14.194 9.166 0.127 1.00 0.00 H new ATOM 0 HH12 ARG A 152 14.900 10.753 -0.197 1.00 0.00 H new ATOM 0 HH21 ARG A 152 14.414 10.540 -3.653 1.00 0.00 H new ATOM 0 HH22 ARG A 152 15.024 11.524 -2.318 1.00 0.00 H new ATOM 173 N PRO A 153 16.367 3.890 -3.744 1.00 0.00 N ATOM 174 CA PRO A 153 17.756 3.406 -3.849 1.00 0.00 C ATOM 175 C PRO A 153 18.485 3.544 -2.507 1.00 0.00 C ATOM 176 O PRO A 153 19.630 3.159 -2.373 1.00 0.00 O ATOM 177 CB PRO A 153 18.376 4.330 -4.900 1.00 0.00 C ATOM 178 CG PRO A 153 17.516 5.616 -4.917 1.00 0.00 C ATOM 179 CD PRO A 153 16.155 5.244 -4.296 1.00 0.00 C ATOM 0 HA PRO A 153 17.819 2.351 -4.117 1.00 0.00 H new ATOM 0 HB2 PRO A 153 19.412 4.560 -4.652 1.00 0.00 H new ATOM 0 HB3 PRO A 153 18.381 3.854 -5.880 1.00 0.00 H new ATOM 0 HG2 PRO A 153 17.997 6.411 -4.348 1.00 0.00 H new ATOM 0 HG3 PRO A 153 17.390 5.984 -5.935 1.00 0.00 H new ATOM 0 HD2 PRO A 153 15.866 5.951 -3.518 1.00 0.00 H new ATOM 0 HD3 PRO A 153 15.361 5.250 -5.043 1.00 0.00 H new ATOM 187 N TRP A 154 17.838 4.090 -1.515 1.00 0.00 N ATOM 188 CA TRP A 154 18.505 4.249 -0.191 1.00 0.00 C ATOM 189 C TRP A 154 17.877 3.287 0.821 1.00 0.00 C ATOM 190 O TRP A 154 17.992 3.468 2.017 1.00 0.00 O ATOM 191 CB TRP A 154 18.331 5.689 0.301 1.00 0.00 C ATOM 192 CG TRP A 154 19.438 6.032 1.245 1.00 0.00 C ATOM 193 CD1 TRP A 154 19.298 6.195 2.581 1.00 0.00 C ATOM 194 CD2 TRP A 154 20.848 6.260 0.952 1.00 0.00 C ATOM 195 NE1 TRP A 154 20.530 6.506 3.128 1.00 0.00 N ATOM 196 CE2 TRP A 154 21.518 6.558 2.164 1.00 0.00 C ATOM 197 CE3 TRP A 154 21.604 6.236 -0.236 1.00 0.00 C ATOM 198 CZ2 TRP A 154 22.888 6.823 2.195 1.00 0.00 C ATOM 199 CZ3 TRP A 154 22.984 6.503 -0.208 1.00 0.00 C ATOM 200 CH2 TRP A 154 23.624 6.795 1.006 1.00 0.00 C ATOM 0 H TRP A 154 16.878 4.432 -1.563 1.00 0.00 H new ATOM 0 HA TRP A 154 19.567 4.025 -0.294 1.00 0.00 H new ATOM 0 HB2 TRP A 154 18.335 6.376 -0.545 1.00 0.00 H new ATOM 0 HB3 TRP A 154 17.367 5.800 0.798 1.00 0.00 H new ATOM 0 HD1 TRP A 154 18.374 6.098 3.131 1.00 0.00 H new ATOM 0 HE1 TRP A 154 20.689 6.676 4.121 1.00 0.00 H new ATOM 0 HE3 TRP A 154 21.120 6.011 -1.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 23.377 7.048 3.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 23.554 6.483 -1.125 1.00 0.00 H new ATOM 0 HH2 TRP A 154 24.685 6.998 1.022 1.00 0.00 H new ATOM 211 N GLY A 155 17.217 2.264 0.351 1.00 0.00 N ATOM 212 CA GLY A 155 16.587 1.291 1.290 1.00 0.00 C ATOM 213 C GLY A 155 15.367 1.935 1.955 1.00 0.00 C ATOM 214 O GLY A 155 15.360 2.196 3.141 1.00 0.00 O ATOM 0 H GLY A 155 17.087 2.060 -0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 155 16.288 0.392 0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.307 0.984 2.048 1.00 0.00 H new ATOM 218 N LYS A 156 14.335 2.190 1.199 1.00 0.00 N ATOM 219 CA LYS A 156 13.115 2.813 1.783 1.00 0.00 C ATOM 220 C LYS A 156 11.939 2.589 0.825 1.00 0.00 C ATOM 221 O LYS A 156 12.049 2.794 -0.367 1.00 0.00 O ATOM 222 CB LYS A 156 13.381 4.317 2.020 1.00 0.00 C ATOM 223 CG LYS A 156 12.241 5.193 1.474 1.00 0.00 C ATOM 224 CD LYS A 156 11.012 5.065 2.377 1.00 0.00 C ATOM 225 CE LYS A 156 10.125 6.299 2.205 1.00 0.00 C ATOM 226 NZ LYS A 156 10.757 7.466 2.882 1.00 0.00 N ATOM 0 H LYS A 156 14.284 1.993 0.199 1.00 0.00 H new ATOM 0 HA LYS A 156 12.866 2.359 2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 156 13.501 4.501 3.088 1.00 0.00 H new ATOM 0 HB3 LYS A 156 14.318 4.600 1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 156 12.561 6.234 1.425 1.00 0.00 H new ATOM 0 HG3 LYS A 156 11.991 4.888 0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 156 10.453 4.164 2.124 1.00 0.00 H new ATOM 0 HD3 LYS A 156 11.320 4.967 3.418 1.00 0.00 H new ATOM 0 HE2 LYS A 156 9.983 6.513 1.146 1.00 0.00 H new ATOM 0 HE3 LYS A 156 9.138 6.112 2.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 10.026 8.164 3.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 11.234 7.148 3.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 11.453 7.902 2.244 1.00 0.00 H new ATOM 240 N PHE A 157 10.816 2.172 1.337 1.00 0.00 N ATOM 241 CA PHE A 157 9.639 1.937 0.457 1.00 0.00 C ATOM 242 C PHE A 157 8.408 2.595 1.081 1.00 0.00 C ATOM 243 O PHE A 157 8.191 2.517 2.273 1.00 0.00 O ATOM 244 CB PHE A 157 9.404 0.434 0.315 1.00 0.00 C ATOM 245 CG PHE A 157 10.617 -0.203 -0.311 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.840 -0.196 0.372 1.00 0.00 C ATOM 247 CD2 PHE A 157 10.523 -0.801 -1.574 1.00 0.00 C ATOM 248 CE1 PHE A 157 12.969 -0.787 -0.208 1.00 0.00 C ATOM 249 CE2 PHE A 157 11.653 -1.393 -2.154 1.00 0.00 C ATOM 250 CZ PHE A 157 12.876 -1.385 -1.471 1.00 0.00 C ATOM 0 H PHE A 157 10.662 1.984 2.328 1.00 0.00 H new ATOM 0 HA PHE A 157 9.822 2.367 -0.528 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.210 -0.009 1.292 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.523 0.249 -0.300 1.00 0.00 H new ATOM 0 HD1 PHE A 157 11.912 0.265 1.346 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.580 -0.806 -2.101 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.912 -0.782 0.319 1.00 0.00 H new ATOM 0 HE2 PHE A 157 11.581 -1.855 -3.127 1.00 0.00 H new ATOM 0 HZ PHE A 157 13.747 -1.840 -1.918 1.00 0.00 H new ATOM 260 N ALA A 158 7.602 3.251 0.293 1.00 0.00 N ATOM 261 CA ALA A 158 6.399 3.916 0.862 1.00 0.00 C ATOM 262 C ALA A 158 5.136 3.152 0.473 1.00 0.00 C ATOM 263 O ALA A 158 4.785 3.057 -0.686 1.00 0.00 O ATOM 264 CB ALA A 158 6.300 5.345 0.328 1.00 0.00 C ATOM 0 H ALA A 158 7.724 3.355 -0.714 1.00 0.00 H new ATOM 0 HA ALA A 158 6.491 3.930 1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.418 5.830 0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.191 5.903 0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.220 5.323 -0.759 1.00 0.00 H new ATOM 270 N ALA A 159 4.441 2.624 1.440 1.00 0.00 N ATOM 271 CA ALA A 159 3.187 1.885 1.136 1.00 0.00 C ATOM 272 C ALA A 159 2.024 2.877 1.150 1.00 0.00 C ATOM 273 O ALA A 159 1.696 3.445 2.172 1.00 0.00 O ATOM 274 CB ALA A 159 2.962 0.806 2.197 1.00 0.00 C ATOM 0 H ALA A 159 4.688 2.673 2.428 1.00 0.00 H new ATOM 0 HA ALA A 159 3.257 1.410 0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 159 2.043 0.264 1.975 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.803 0.112 2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.880 1.273 3.179 1.00 0.00 H new ATOM 280 N GLU A 160 1.406 3.102 0.025 1.00 0.00 N ATOM 281 CA GLU A 160 0.272 4.068 -0.021 1.00 0.00 C ATOM 282 C GLU A 160 -0.917 3.422 -0.733 1.00 0.00 C ATOM 283 O GLU A 160 -0.761 2.515 -1.525 1.00 0.00 O ATOM 284 CB GLU A 160 0.706 5.325 -0.780 1.00 0.00 C ATOM 285 CG GLU A 160 2.083 5.771 -0.281 1.00 0.00 C ATOM 286 CD GLU A 160 3.109 5.626 -1.407 1.00 0.00 C ATOM 287 OE1 GLU A 160 3.032 4.646 -2.131 1.00 0.00 O ATOM 288 OE2 GLU A 160 3.955 6.496 -1.526 1.00 0.00 O ATOM 0 H GLU A 160 1.636 2.659 -0.865 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.019 4.340 0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 160 0.743 5.122 -1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 160 -0.022 6.122 -0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 160 2.041 6.807 0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.382 5.169 0.577 1.00 0.00 H new ATOM 295 N ILE A 161 -2.106 3.880 -0.457 1.00 0.00 N ATOM 296 CA ILE A 161 -3.302 3.288 -1.118 1.00 0.00 C ATOM 297 C ILE A 161 -4.278 4.400 -1.504 1.00 0.00 C ATOM 298 O ILE A 161 -4.680 5.199 -0.682 1.00 0.00 O ATOM 299 CB ILE A 161 -3.987 2.318 -0.154 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.278 1.794 -0.789 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.320 3.044 1.149 1.00 0.00 C ATOM 302 CD1 ILE A 161 -5.937 0.783 0.151 1.00 0.00 C ATOM 0 H ILE A 161 -2.301 4.638 0.197 1.00 0.00 H new ATOM 0 HA ILE A 161 -2.993 2.752 -2.015 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.319 1.483 0.056 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.960 2.621 -0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -5.059 1.325 -1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.808 2.353 1.836 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.402 3.418 1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -4.988 3.880 0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -6.856 0.411 -0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.255 -0.049 0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.170 1.266 1.100 1.00 0.00 H new ATOM 314 N ARG A 162 -4.663 4.457 -2.749 1.00 0.00 N ATOM 315 CA ARG A 162 -5.614 5.515 -3.186 1.00 0.00 C ATOM 316 C ARG A 162 -7.042 5.082 -2.847 1.00 0.00 C ATOM 317 O ARG A 162 -7.533 4.087 -3.341 1.00 0.00 O ATOM 318 CB ARG A 162 -5.487 5.720 -4.698 1.00 0.00 C ATOM 319 CG ARG A 162 -6.232 6.992 -5.106 1.00 0.00 C ATOM 320 CD ARG A 162 -5.798 7.412 -6.512 1.00 0.00 C ATOM 321 NE ARG A 162 -4.386 7.892 -6.474 1.00 0.00 N ATOM 322 CZ ARG A 162 -3.564 7.578 -7.437 1.00 0.00 C ATOM 323 NH1 ARG A 162 -3.559 6.369 -7.924 1.00 0.00 N ATOM 324 NH2 ARG A 162 -2.744 8.476 -7.912 1.00 0.00 N ATOM 0 H ARG A 162 -4.360 3.816 -3.482 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.385 6.449 -2.673 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -4.436 5.796 -4.978 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -5.897 4.860 -5.228 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -7.308 6.819 -5.083 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -6.023 7.792 -4.396 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -5.889 6.570 -7.199 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -6.451 8.200 -6.886 1.00 0.00 H new ATOM 0 HE ARG A 162 -4.063 8.466 -5.695 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -4.198 5.667 -7.552 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -2.916 6.125 -8.677 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -2.747 9.422 -7.530 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -2.101 8.232 -8.665 1.00 0.00 H new ATOM 338 N ASP A 163 -7.711 5.819 -2.004 1.00 0.00 N ATOM 339 CA ASP A 163 -9.103 5.444 -1.631 1.00 0.00 C ATOM 340 C ASP A 163 -10.087 6.461 -2.224 1.00 0.00 C ATOM 341 O ASP A 163 -10.150 7.586 -1.772 1.00 0.00 O ATOM 342 CB ASP A 163 -9.237 5.443 -0.107 1.00 0.00 C ATOM 343 CG ASP A 163 -10.534 4.736 0.292 1.00 0.00 C ATOM 344 OD1 ASP A 163 -11.447 4.716 -0.518 1.00 0.00 O ATOM 345 OD2 ASP A 163 -10.592 4.226 1.398 1.00 0.00 O ATOM 0 H ASP A 163 -7.354 6.664 -1.558 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.327 4.451 -2.021 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -8.382 4.938 0.343 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -9.238 6.466 0.269 1.00 0.00 H new ATOM 350 N PRO A 164 -10.830 6.034 -3.216 1.00 0.00 N ATOM 351 CA PRO A 164 -11.825 6.893 -3.884 1.00 0.00 C ATOM 352 C PRO A 164 -13.082 7.021 -3.019 1.00 0.00 C ATOM 353 O PRO A 164 -13.739 8.042 -3.008 1.00 0.00 O ATOM 354 CB PRO A 164 -12.128 6.149 -5.187 1.00 0.00 C ATOM 355 CG PRO A 164 -11.739 4.671 -4.945 1.00 0.00 C ATOM 356 CD PRO A 164 -10.749 4.665 -3.765 1.00 0.00 C ATOM 0 HA PRO A 164 -11.470 7.909 -4.056 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -13.183 6.236 -5.448 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -11.559 6.570 -6.016 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -12.620 4.071 -4.715 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -11.283 4.239 -5.836 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -11.024 3.920 -3.019 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -9.738 4.428 -4.095 1.00 0.00 H new ATOM 364 N ALA A 165 -13.417 5.991 -2.294 1.00 0.00 N ATOM 365 CA ALA A 165 -14.627 6.048 -1.428 1.00 0.00 C ATOM 366 C ALA A 165 -14.454 7.158 -0.389 1.00 0.00 C ATOM 367 O ALA A 165 -15.414 7.680 0.142 1.00 0.00 O ATOM 368 CB ALA A 165 -14.808 4.707 -0.715 1.00 0.00 C ATOM 0 H ALA A 165 -12.904 5.110 -2.264 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.505 6.254 -2.041 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.694 4.749 -0.081 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.928 3.915 -1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.932 4.500 -0.101 1.00 0.00 H new ATOM 374 N LYS A 166 -13.236 7.521 -0.096 1.00 0.00 N ATOM 375 CA LYS A 166 -13.000 8.597 0.908 1.00 0.00 C ATOM 376 C LYS A 166 -12.975 9.954 0.203 1.00 0.00 C ATOM 377 O LYS A 166 -12.182 10.818 0.525 1.00 0.00 O ATOM 378 CB LYS A 166 -11.658 8.358 1.606 1.00 0.00 C ATOM 379 CG LYS A 166 -11.675 6.988 2.287 1.00 0.00 C ATOM 380 CD LYS A 166 -12.600 7.033 3.505 1.00 0.00 C ATOM 381 CE LYS A 166 -12.919 5.606 3.956 1.00 0.00 C ATOM 382 NZ LYS A 166 -13.854 5.648 5.115 1.00 0.00 N ATOM 0 H LYS A 166 -12.394 7.119 -0.508 1.00 0.00 H new ATOM 0 HA LYS A 166 -13.800 8.587 1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -10.845 8.406 0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -11.475 9.140 2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -12.016 6.226 1.586 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -10.667 6.710 2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -12.124 7.584 4.316 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -13.520 7.562 3.257 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -13.366 5.045 3.135 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -12.001 5.088 4.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -14.071 4.678 5.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -13.412 6.168 5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -14.733 6.127 4.834 1.00 0.00 H new ATOM 396 N ASN A 167 -13.837 10.150 -0.757 1.00 0.00 N ATOM 397 CA ASN A 167 -13.864 11.452 -1.482 1.00 0.00 C ATOM 398 C ASN A 167 -12.438 11.857 -1.863 1.00 0.00 C ATOM 399 O ASN A 167 -12.009 12.966 -1.612 1.00 0.00 O ATOM 400 CB ASN A 167 -14.477 12.525 -0.577 1.00 0.00 C ATOM 401 CG ASN A 167 -15.998 12.363 -0.551 1.00 0.00 C ATOM 402 OD1 ASN A 167 -16.508 11.403 -0.007 1.00 0.00 O ATOM 403 ND2 ASN A 167 -16.749 13.267 -1.118 1.00 0.00 N ATOM 0 H ASN A 167 -14.524 9.464 -1.071 1.00 0.00 H new ATOM 0 HA ASN A 167 -14.464 11.352 -2.386 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -14.074 12.438 0.432 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -14.213 13.518 -0.941 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -17.764 13.168 -1.105 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -16.321 14.073 -1.574 1.00 0.00 H new ATOM 410 N GLY A 168 -11.702 10.966 -2.468 1.00 0.00 N ATOM 411 CA GLY A 168 -10.304 11.300 -2.868 1.00 0.00 C ATOM 412 C GLY A 168 -9.476 11.616 -1.621 1.00 0.00 C ATOM 413 O GLY A 168 -9.379 12.752 -1.202 1.00 0.00 O ATOM 0 H GLY A 168 -12.007 10.021 -2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -9.860 10.465 -3.410 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -10.303 12.155 -3.544 1.00 0.00 H new ATOM 417 N ALA A 169 -8.878 10.621 -1.024 1.00 0.00 N ATOM 418 CA ALA A 169 -8.060 10.869 0.196 1.00 0.00 C ATOM 419 C ALA A 169 -6.883 9.891 0.237 1.00 0.00 C ATOM 420 O ALA A 169 -6.975 8.818 0.799 1.00 0.00 O ATOM 421 CB ALA A 169 -8.926 10.673 1.442 1.00 0.00 C ATOM 0 H ALA A 169 -8.921 9.648 -1.328 1.00 0.00 H new ATOM 0 HA ALA A 169 -7.681 11.891 0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -8.327 10.855 2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -9.762 11.372 1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -9.308 9.652 1.463 1.00 0.00 H new ATOM 427 N ARG A 170 -5.777 10.254 -0.352 1.00 0.00 N ATOM 428 CA ARG A 170 -4.595 9.347 -0.343 1.00 0.00 C ATOM 429 C ARG A 170 -4.340 8.862 1.085 1.00 0.00 C ATOM 430 O ARG A 170 -4.549 9.584 2.040 1.00 0.00 O ATOM 431 CB ARG A 170 -3.368 10.109 -0.846 1.00 0.00 C ATOM 432 CG ARG A 170 -3.059 11.261 0.113 1.00 0.00 C ATOM 433 CD ARG A 170 -1.703 11.870 -0.242 1.00 0.00 C ATOM 434 NE ARG A 170 -1.904 13.024 -1.163 1.00 0.00 N ATOM 435 CZ ARG A 170 -1.915 14.241 -0.692 1.00 0.00 C ATOM 436 NH1 ARG A 170 -2.749 14.566 0.258 1.00 0.00 N ATOM 437 NH2 ARG A 170 -1.092 15.134 -1.172 1.00 0.00 N ATOM 0 H ARG A 170 -5.641 11.140 -0.839 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.785 8.492 -0.991 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -2.512 9.438 -0.914 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -3.551 10.495 -1.849 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -3.838 12.020 0.049 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -3.049 10.900 1.141 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -1.191 12.198 0.663 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -1.068 11.120 -0.714 1.00 0.00 H new ATOM 0 HE ARG A 170 -2.033 12.863 -2.162 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -3.392 13.869 0.632 1.00 0.00 H new ATOM 0 HH12 ARG A 170 -2.757 15.517 0.626 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -0.441 14.880 -1.915 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -1.100 16.085 -0.804 1.00 0.00 H new ATOM 451 N VAL A 171 -3.892 7.647 1.243 1.00 0.00 N ATOM 452 CA VAL A 171 -3.628 7.127 2.613 1.00 0.00 C ATOM 453 C VAL A 171 -2.206 6.568 2.687 1.00 0.00 C ATOM 454 O VAL A 171 -1.977 5.391 2.492 1.00 0.00 O ATOM 455 CB VAL A 171 -4.635 6.022 2.942 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.173 5.254 4.182 1.00 0.00 C ATOM 457 CG2 VAL A 171 -6.000 6.653 3.217 1.00 0.00 C ATOM 0 H VAL A 171 -3.698 6.994 0.484 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.732 7.938 3.334 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.708 5.334 2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.893 4.469 4.413 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.197 4.807 3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.099 5.938 5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.722 5.871 3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -5.921 7.339 4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.332 7.200 2.335 1.00 0.00 H new ATOM 467 N TRP A 172 -1.249 7.408 2.974 1.00 0.00 N ATOM 468 CA TRP A 172 0.160 6.931 3.069 1.00 0.00 C ATOM 469 C TRP A 172 0.289 6.002 4.280 1.00 0.00 C ATOM 470 O TRP A 172 0.437 6.445 5.402 1.00 0.00 O ATOM 471 CB TRP A 172 1.091 8.137 3.236 1.00 0.00 C ATOM 472 CG TRP A 172 2.517 7.686 3.316 1.00 0.00 C ATOM 473 CD1 TRP A 172 3.043 6.935 4.312 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.612 7.953 2.388 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.385 6.727 4.055 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.782 7.329 2.884 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.702 8.665 1.177 1.00 0.00 C ATOM 478 CZ2 TRP A 172 5.998 7.409 2.207 1.00 0.00 C ATOM 479 CZ3 TRP A 172 4.926 8.749 0.491 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.071 8.121 1.005 1.00 0.00 C ATOM 0 H TRP A 172 -1.382 8.404 3.147 1.00 0.00 H new ATOM 0 HA TRP A 172 0.435 6.389 2.164 1.00 0.00 H new ATOM 0 HB2 TRP A 172 0.965 8.821 2.397 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.826 8.688 4.138 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.502 6.560 5.168 1.00 0.00 H new ATOM 0 HE1 TRP A 172 5.006 6.191 4.661 1.00 0.00 H new ATOM 0 HE3 TRP A 172 2.826 9.150 0.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 6.877 6.925 2.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 4.986 9.300 -0.436 1.00 0.00 H new ATOM 0 HH2 TRP A 172 7.008 8.187 0.473 1.00 0.00 H new ATOM 491 N LEU A 173 0.222 4.716 4.061 1.00 0.00 N ATOM 492 CA LEU A 173 0.331 3.757 5.198 1.00 0.00 C ATOM 493 C LEU A 173 1.610 4.039 5.986 1.00 0.00 C ATOM 494 O LEU A 173 1.615 4.028 7.202 1.00 0.00 O ATOM 495 CB LEU A 173 0.365 2.326 4.658 1.00 0.00 C ATOM 496 CG LEU A 173 -1.056 1.760 4.622 1.00 0.00 C ATOM 497 CD1 LEU A 173 -1.415 1.367 3.187 1.00 0.00 C ATOM 498 CD2 LEU A 173 -1.134 0.526 5.523 1.00 0.00 C ATOM 0 H LEU A 173 0.096 4.288 3.144 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.530 3.875 5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 173 0.798 2.314 3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 173 1.000 1.703 5.288 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.757 2.516 4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -2.427 0.964 3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -1.359 2.245 2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.715 0.611 2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -2.146 0.121 5.499 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -0.433 -0.229 5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -0.879 0.805 6.545 1.00 0.00 H new ATOM 510 N GLY A 174 2.694 4.292 5.308 1.00 0.00 N ATOM 511 CA GLY A 174 3.970 4.574 6.024 1.00 0.00 C ATOM 512 C GLY A 174 5.137 3.988 5.230 1.00 0.00 C ATOM 513 O GLY A 174 4.975 3.060 4.463 1.00 0.00 O ATOM 0 H GLY A 174 2.752 4.316 4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.102 5.649 6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 174 3.942 4.141 7.024 1.00 0.00 H new ATOM 517 N THR A 175 6.313 4.523 5.406 1.00 0.00 N ATOM 518 CA THR A 175 7.484 3.993 4.656 1.00 0.00 C ATOM 519 C THR A 175 7.804 2.582 5.150 1.00 0.00 C ATOM 520 O THR A 175 7.105 2.031 5.976 1.00 0.00 O ATOM 521 CB THR A 175 8.692 4.905 4.872 1.00 0.00 C ATOM 522 OG1 THR A 175 9.369 4.524 6.062 1.00 0.00 O ATOM 523 CG2 THR A 175 8.225 6.355 4.987 1.00 0.00 C ATOM 0 H THR A 175 6.513 5.301 6.034 1.00 0.00 H new ATOM 0 HA THR A 175 7.250 3.960 3.592 1.00 0.00 H new ATOM 0 HB THR A 175 9.372 4.812 4.025 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.144 5.108 6.199 1.00 0.00 H new ATOM 0 HG21 THR A 175 9.087 7.004 5.141 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.711 6.646 4.071 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.543 6.452 5.832 1.00 0.00 H new ATOM 531 N PHE A 176 8.850 1.990 4.645 1.00 0.00 N ATOM 532 CA PHE A 176 9.203 0.612 5.081 1.00 0.00 C ATOM 533 C PHE A 176 10.694 0.366 4.832 1.00 0.00 C ATOM 534 O PHE A 176 11.442 1.277 4.542 1.00 0.00 O ATOM 535 CB PHE A 176 8.374 -0.394 4.280 1.00 0.00 C ATOM 536 CG PHE A 176 6.949 -0.379 4.782 1.00 0.00 C ATOM 537 CD1 PHE A 176 6.013 0.507 4.226 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.563 -1.249 5.809 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.695 0.521 4.700 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.246 -1.235 6.282 1.00 0.00 C ATOM 541 CZ PHE A 176 4.311 -0.350 5.729 1.00 0.00 C ATOM 0 H PHE A 176 9.474 2.400 3.951 1.00 0.00 H new ATOM 0 HA PHE A 176 8.992 0.495 6.144 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.401 -0.142 3.220 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.797 -1.394 4.381 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.309 1.178 3.433 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.282 -1.932 6.237 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.975 1.203 4.273 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.950 -1.907 7.074 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.295 -0.339 6.095 1.00 0.00 H new ATOM 551 N GLU A 177 11.131 -0.859 4.940 1.00 0.00 N ATOM 552 CA GLU A 177 12.571 -1.159 4.705 1.00 0.00 C ATOM 553 C GLU A 177 12.733 -1.849 3.350 1.00 0.00 C ATOM 554 O GLU A 177 13.773 -1.778 2.725 1.00 0.00 O ATOM 555 CB GLU A 177 13.091 -2.079 5.813 1.00 0.00 C ATOM 556 CG GLU A 177 13.867 -1.252 6.841 1.00 0.00 C ATOM 557 CD GLU A 177 13.263 -1.469 8.229 1.00 0.00 C ATOM 558 OE1 GLU A 177 13.627 -2.444 8.865 1.00 0.00 O ATOM 559 OE2 GLU A 177 12.448 -0.657 8.633 1.00 0.00 O ATOM 0 H GLU A 177 10.553 -1.664 5.181 1.00 0.00 H new ATOM 0 HA GLU A 177 13.140 -0.230 4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 177 12.259 -2.591 6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 177 13.735 -2.849 5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 177 14.917 -1.543 6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 177 13.829 -0.195 6.577 1.00 0.00 H new ATOM 566 N THR A 178 11.710 -2.514 2.888 1.00 0.00 N ATOM 567 CA THR A 178 11.804 -3.205 1.571 1.00 0.00 C ATOM 568 C THR A 178 10.475 -3.060 0.827 1.00 0.00 C ATOM 569 O THR A 178 9.510 -2.546 1.355 1.00 0.00 O ATOM 570 CB THR A 178 12.104 -4.690 1.788 1.00 0.00 C ATOM 571 OG1 THR A 178 10.895 -5.384 2.061 1.00 0.00 O ATOM 572 CG2 THR A 178 13.065 -4.851 2.967 1.00 0.00 C ATOM 0 H THR A 178 10.814 -2.609 3.365 1.00 0.00 H new ATOM 0 HA THR A 178 12.605 -2.756 0.984 1.00 0.00 H new ATOM 0 HB THR A 178 12.562 -5.102 0.889 1.00 0.00 H new ATOM 0 HG1 THR A 178 11.101 -6.296 2.355 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.278 -5.909 3.121 1.00 0.00 H new ATOM 0 HG22 THR A 178 13.993 -4.321 2.755 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.609 -4.438 3.867 1.00 0.00 H new ATOM 580 N ALA A 179 10.416 -3.514 -0.394 1.00 0.00 N ATOM 581 CA ALA A 179 9.149 -3.405 -1.166 1.00 0.00 C ATOM 582 C ALA A 179 8.200 -4.523 -0.738 1.00 0.00 C ATOM 583 O ALA A 179 7.000 -4.413 -0.869 1.00 0.00 O ATOM 584 CB ALA A 179 9.450 -3.537 -2.659 1.00 0.00 C ATOM 0 H ALA A 179 11.191 -3.955 -0.890 1.00 0.00 H new ATOM 0 HA ALA A 179 8.685 -2.438 -0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.522 -3.457 -3.226 1.00 0.00 H new ATOM 0 HB2 ALA A 179 10.131 -2.743 -2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 179 9.912 -4.505 -2.853 1.00 0.00 H new ATOM 590 N GLU A 180 8.730 -5.599 -0.226 1.00 0.00 N ATOM 591 CA GLU A 180 7.856 -6.725 0.209 1.00 0.00 C ATOM 592 C GLU A 180 7.127 -6.338 1.497 1.00 0.00 C ATOM 593 O GLU A 180 5.991 -6.713 1.716 1.00 0.00 O ATOM 594 CB GLU A 180 8.711 -7.969 0.461 1.00 0.00 C ATOM 595 CG GLU A 180 7.814 -9.208 0.485 1.00 0.00 C ATOM 596 CD GLU A 180 8.370 -10.261 -0.475 1.00 0.00 C ATOM 597 OE1 GLU A 180 8.238 -10.070 -1.673 1.00 0.00 O ATOM 598 OE2 GLU A 180 8.919 -11.240 0.003 1.00 0.00 O ATOM 0 H GLU A 180 9.730 -5.748 -0.090 1.00 0.00 H new ATOM 0 HA GLU A 180 7.126 -6.939 -0.572 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.466 -8.069 -0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.242 -7.873 1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 180 7.763 -9.613 1.496 1.00 0.00 H new ATOM 0 HG3 GLU A 180 6.797 -8.939 0.197 1.00 0.00 H new ATOM 605 N ASP A 181 7.768 -5.593 2.352 1.00 0.00 N ATOM 606 CA ASP A 181 7.113 -5.185 3.623 1.00 0.00 C ATOM 607 C ASP A 181 6.135 -4.042 3.344 1.00 0.00 C ATOM 608 O ASP A 181 5.056 -3.986 3.898 1.00 0.00 O ATOM 609 CB ASP A 181 8.173 -4.715 4.623 1.00 0.00 C ATOM 610 CG ASP A 181 9.506 -5.415 4.339 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.483 -6.607 4.079 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.525 -4.747 4.388 1.00 0.00 O ATOM 0 H ASP A 181 8.720 -5.249 2.224 1.00 0.00 H new ATOM 0 HA ASP A 181 6.575 -6.035 4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.298 -3.634 4.553 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.848 -4.933 5.640 1.00 0.00 H new ATOM 617 N ALA A 182 6.503 -3.132 2.486 1.00 0.00 N ATOM 618 CA ALA A 182 5.593 -1.997 2.170 1.00 0.00 C ATOM 619 C ALA A 182 4.405 -2.515 1.361 1.00 0.00 C ATOM 620 O ALA A 182 3.305 -2.009 1.460 1.00 0.00 O ATOM 621 CB ALA A 182 6.348 -0.945 1.356 1.00 0.00 C ATOM 0 H ALA A 182 7.394 -3.125 1.990 1.00 0.00 H new ATOM 0 HA ALA A 182 5.236 -1.546 3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.680 -0.115 1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 182 7.197 -0.578 1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.706 -1.391 0.428 1.00 0.00 H new ATOM 627 N ALA A 183 4.616 -3.529 0.568 1.00 0.00 N ATOM 628 CA ALA A 183 3.495 -4.085 -0.239 1.00 0.00 C ATOM 629 C ALA A 183 2.565 -4.869 0.683 1.00 0.00 C ATOM 630 O ALA A 183 1.357 -4.782 0.581 1.00 0.00 O ATOM 631 CB ALA A 183 4.047 -5.014 -1.321 1.00 0.00 C ATOM 0 H ALA A 183 5.515 -3.996 0.444 1.00 0.00 H new ATOM 0 HA ALA A 183 2.947 -3.272 -0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.223 -5.418 -1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.718 -4.455 -1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.595 -5.832 -0.853 1.00 0.00 H new ATOM 637 N LEU A 184 3.124 -5.630 1.586 1.00 0.00 N ATOM 638 CA LEU A 184 2.282 -6.418 2.528 1.00 0.00 C ATOM 639 C LEU A 184 1.440 -5.454 3.361 1.00 0.00 C ATOM 640 O LEU A 184 0.275 -5.688 3.617 1.00 0.00 O ATOM 641 CB LEU A 184 3.183 -7.241 3.454 1.00 0.00 C ATOM 642 CG LEU A 184 2.321 -8.122 4.361 1.00 0.00 C ATOM 643 CD1 LEU A 184 1.610 -9.184 3.519 1.00 0.00 C ATOM 644 CD2 LEU A 184 3.213 -8.809 5.399 1.00 0.00 C ATOM 0 H LEU A 184 4.130 -5.739 1.711 1.00 0.00 H new ATOM 0 HA LEU A 184 1.632 -7.091 1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.858 -7.861 2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.803 -6.578 4.057 1.00 0.00 H new ATOM 0 HG LEU A 184 1.579 -7.505 4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.996 -9.811 4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 184 0.976 -8.697 2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 184 2.351 -9.802 3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 184 2.601 -9.437 6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 184 3.954 -9.426 4.891 1.00 0.00 H new ATOM 0 HD23 LEU A 184 3.720 -8.054 6.000 1.00 0.00 H new ATOM 656 N ALA A 185 2.022 -4.365 3.777 1.00 0.00 N ATOM 657 CA ALA A 185 1.259 -3.375 4.584 1.00 0.00 C ATOM 658 C ALA A 185 0.220 -2.702 3.687 1.00 0.00 C ATOM 659 O ALA A 185 -0.804 -2.230 4.144 1.00 0.00 O ATOM 660 CB ALA A 185 2.220 -2.318 5.140 1.00 0.00 C ATOM 0 H ALA A 185 2.994 -4.118 3.593 1.00 0.00 H new ATOM 0 HA ALA A 185 0.761 -3.877 5.413 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.661 -1.593 5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.967 -2.801 5.770 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.717 -1.808 4.315 1.00 0.00 H new ATOM 666 N TYR A 186 0.476 -2.660 2.409 1.00 0.00 N ATOM 667 CA TYR A 186 -0.491 -2.024 1.472 1.00 0.00 C ATOM 668 C TYR A 186 -1.762 -2.870 1.402 1.00 0.00 C ATOM 669 O TYR A 186 -2.859 -2.354 1.385 1.00 0.00 O ATOM 670 CB TYR A 186 0.140 -1.928 0.081 1.00 0.00 C ATOM 671 CG TYR A 186 -0.916 -1.543 -0.926 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.760 -2.522 -1.465 1.00 0.00 C ATOM 673 CD2 TYR A 186 -1.053 -0.205 -1.320 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.740 -2.165 -2.398 1.00 0.00 C ATOM 675 CE2 TYR A 186 -2.034 0.153 -2.252 1.00 0.00 C ATOM 676 CZ TYR A 186 -2.878 -0.827 -2.792 1.00 0.00 C ATOM 677 OH TYR A 186 -3.846 -0.476 -3.712 1.00 0.00 O ATOM 0 H TYR A 186 1.316 -3.040 1.972 1.00 0.00 H new ATOM 0 HA TYR A 186 -0.742 -1.024 1.827 1.00 0.00 H new ATOM 0 HB2 TYR A 186 0.941 -1.189 0.084 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.588 -2.883 -0.193 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.655 -3.553 -1.161 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.402 0.550 -0.905 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.390 -2.920 -2.814 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -2.141 1.184 -2.555 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.808 0.490 -3.874 1.00 0.00 H new ATOM 687 N ASP A 187 -1.623 -4.166 1.366 1.00 0.00 N ATOM 688 CA ASP A 187 -2.820 -5.043 1.303 1.00 0.00 C ATOM 689 C ASP A 187 -3.675 -4.817 2.548 1.00 0.00 C ATOM 690 O ASP A 187 -4.869 -4.606 2.470 1.00 0.00 O ATOM 691 CB ASP A 187 -2.364 -6.501 1.262 1.00 0.00 C ATOM 692 CG ASP A 187 -1.337 -6.686 0.143 1.00 0.00 C ATOM 693 OD1 ASP A 187 -1.373 -5.916 -0.802 1.00 0.00 O ATOM 694 OD2 ASP A 187 -0.532 -7.596 0.251 1.00 0.00 O ATOM 0 H ASP A 187 -0.728 -4.655 1.378 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.404 -4.812 0.412 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.928 -6.783 2.220 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -3.220 -7.156 1.096 1.00 0.00 H new ATOM 699 N ARG A 188 -3.066 -4.868 3.697 1.00 0.00 N ATOM 700 CA ARG A 188 -3.824 -4.665 4.964 1.00 0.00 C ATOM 701 C ARG A 188 -4.706 -3.420 4.856 1.00 0.00 C ATOM 702 O ARG A 188 -5.824 -3.400 5.331 1.00 0.00 O ATOM 703 CB ARG A 188 -2.842 -4.490 6.124 1.00 0.00 C ATOM 704 CG ARG A 188 -2.843 -5.752 6.989 1.00 0.00 C ATOM 705 CD ARG A 188 -1.926 -5.541 8.195 1.00 0.00 C ATOM 706 NE ARG A 188 -2.231 -6.563 9.235 1.00 0.00 N ATOM 707 CZ ARG A 188 -2.131 -6.258 10.499 1.00 0.00 C ATOM 708 NH1 ARG A 188 -1.385 -5.253 10.869 1.00 0.00 N ATOM 709 NH2 ARG A 188 -2.775 -6.956 11.392 1.00 0.00 N ATOM 0 H ARG A 188 -2.068 -5.043 3.816 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.455 -5.536 5.143 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -1.840 -4.300 5.740 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -3.123 -3.625 6.724 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -3.856 -5.977 7.323 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -2.503 -6.607 6.405 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -0.882 -5.617 7.890 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -2.067 -4.540 8.602 1.00 0.00 H new ATOM 0 HE ARG A 188 -2.518 -7.502 8.958 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -0.881 -4.707 10.170 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -1.306 -5.013 11.857 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -3.358 -7.741 11.102 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -2.696 -6.717 12.380 1.00 0.00 H new ATOM 723 N ALA A 189 -4.214 -2.377 4.246 1.00 0.00 N ATOM 724 CA ALA A 189 -5.034 -1.137 4.126 1.00 0.00 C ATOM 725 C ALA A 189 -6.004 -1.264 2.950 1.00 0.00 C ATOM 726 O ALA A 189 -7.052 -0.649 2.929 1.00 0.00 O ATOM 727 CB ALA A 189 -4.112 0.063 3.898 1.00 0.00 C ATOM 0 H ALA A 189 -3.285 -2.329 3.827 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.603 -0.994 5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.710 0.970 3.810 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.427 0.160 4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.541 -0.086 2.981 1.00 0.00 H new ATOM 733 N ALA A 190 -5.672 -2.061 1.972 1.00 0.00 N ATOM 734 CA ALA A 190 -6.585 -2.224 0.807 1.00 0.00 C ATOM 735 C ALA A 190 -7.582 -3.346 1.104 1.00 0.00 C ATOM 736 O ALA A 190 -8.351 -3.749 0.254 1.00 0.00 O ATOM 737 CB ALA A 190 -5.771 -2.578 -0.439 1.00 0.00 C ATOM 0 H ALA A 190 -4.810 -2.605 1.929 1.00 0.00 H new ATOM 0 HA ALA A 190 -7.123 -1.292 0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -6.442 -2.697 -1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -5.058 -1.780 -0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -5.232 -3.510 -0.269 1.00 0.00 H new ATOM 743 N PHE A 191 -7.579 -3.845 2.309 1.00 0.00 N ATOM 744 CA PHE A 191 -8.528 -4.931 2.673 1.00 0.00 C ATOM 745 C PHE A 191 -9.537 -4.376 3.675 1.00 0.00 C ATOM 746 O PHE A 191 -10.693 -4.748 3.685 1.00 0.00 O ATOM 747 CB PHE A 191 -7.755 -6.090 3.305 1.00 0.00 C ATOM 748 CG PHE A 191 -8.525 -7.377 3.127 1.00 0.00 C ATOM 749 CD1 PHE A 191 -9.462 -7.771 4.091 1.00 0.00 C ATOM 750 CD2 PHE A 191 -8.300 -8.178 2.000 1.00 0.00 C ATOM 751 CE1 PHE A 191 -10.173 -8.968 3.928 1.00 0.00 C ATOM 752 CE2 PHE A 191 -9.012 -9.374 1.836 1.00 0.00 C ATOM 753 CZ PHE A 191 -9.948 -9.769 2.800 1.00 0.00 C ATOM 0 H PHE A 191 -6.957 -3.545 3.060 1.00 0.00 H new ATOM 0 HA PHE A 191 -9.047 -5.293 1.785 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.771 -6.177 2.844 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.594 -5.896 4.365 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -9.636 -7.153 4.959 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -7.578 -7.874 1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -10.894 -9.273 4.672 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -8.839 -9.991 0.967 1.00 0.00 H new ATOM 0 HZ PHE A 191 -10.496 -10.691 2.674 1.00 0.00 H new ATOM 763 N ARG A 192 -9.101 -3.476 4.511 1.00 0.00 N ATOM 764 CA ARG A 192 -10.023 -2.873 5.510 1.00 0.00 C ATOM 765 C ARG A 192 -10.893 -1.830 4.813 1.00 0.00 C ATOM 766 O ARG A 192 -12.084 -1.739 5.038 1.00 0.00 O ATOM 767 CB ARG A 192 -9.201 -2.192 6.602 1.00 0.00 C ATOM 768 CG ARG A 192 -9.773 -2.552 7.975 1.00 0.00 C ATOM 769 CD ARG A 192 -10.599 -1.381 8.507 1.00 0.00 C ATOM 770 NE ARG A 192 -9.729 -0.178 8.637 1.00 0.00 N ATOM 771 CZ ARG A 192 -8.731 -0.184 9.477 1.00 0.00 C ATOM 772 NH1 ARG A 192 -8.936 -0.475 10.733 1.00 0.00 N ATOM 773 NH2 ARG A 192 -7.528 0.103 9.063 1.00 0.00 N ATOM 0 H ARG A 192 -8.142 -3.131 4.545 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.652 -3.646 5.952 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -8.159 -2.507 6.537 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -9.217 -1.111 6.462 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -10.394 -3.444 7.899 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -8.964 -2.785 8.668 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -11.429 -1.171 7.832 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -11.031 -1.637 9.474 1.00 0.00 H new ATOM 0 HE ARG A 192 -9.914 0.649 8.070 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -9.877 -0.698 11.058 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -8.155 -0.480 11.389 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -7.367 0.332 8.082 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -6.748 0.098 9.720 1.00 0.00 H new ATOM 787 N MET A 193 -10.294 -1.038 3.972 1.00 0.00 N ATOM 788 CA MET A 193 -11.058 0.018 3.250 1.00 0.00 C ATOM 789 C MET A 193 -11.892 -0.603 2.128 1.00 0.00 C ATOM 790 O MET A 193 -12.936 -0.095 1.769 1.00 0.00 O ATOM 791 CB MET A 193 -10.075 1.021 2.646 1.00 0.00 C ATOM 792 CG MET A 193 -9.700 2.065 3.698 1.00 0.00 C ATOM 793 SD MET A 193 -7.915 2.006 3.996 1.00 0.00 S ATOM 794 CE MET A 193 -7.407 2.908 2.512 1.00 0.00 C ATOM 0 H MET A 193 -9.299 -1.076 3.751 1.00 0.00 H new ATOM 0 HA MET A 193 -11.724 0.518 3.953 1.00 0.00 H new ATOM 0 HB2 MET A 193 -9.181 0.505 2.296 1.00 0.00 H new ATOM 0 HB3 MET A 193 -10.522 1.507 1.779 1.00 0.00 H new ATOM 0 HG2 MET A 193 -9.990 3.059 3.359 1.00 0.00 H new ATOM 0 HG3 MET A 193 -10.241 1.874 4.625 1.00 0.00 H new ATOM 0 HE1 MET A 193 -6.349 3.162 2.585 1.00 0.00 H new ATOM 0 HE2 MET A 193 -7.571 2.284 1.633 1.00 0.00 H new ATOM 0 HE3 MET A 193 -7.994 3.822 2.423 1.00 0.00 H new ATOM 804 N ARG A 194 -11.444 -1.690 1.562 1.00 0.00 N ATOM 805 CA ARG A 194 -12.222 -2.320 0.457 1.00 0.00 C ATOM 806 C ARG A 194 -13.113 -3.431 1.015 1.00 0.00 C ATOM 807 O ARG A 194 -13.769 -4.141 0.279 1.00 0.00 O ATOM 808 CB ARG A 194 -11.257 -2.903 -0.576 1.00 0.00 C ATOM 809 CG ARG A 194 -11.139 -1.939 -1.760 1.00 0.00 C ATOM 810 CD ARG A 194 -9.840 -2.218 -2.520 1.00 0.00 C ATOM 811 NE ARG A 194 -8.879 -1.102 -2.290 1.00 0.00 N ATOM 812 CZ ARG A 194 -9.097 0.070 -2.822 1.00 0.00 C ATOM 813 NH1 ARG A 194 -8.809 0.282 -4.077 1.00 0.00 N ATOM 814 NH2 ARG A 194 -9.603 1.031 -2.098 1.00 0.00 N ATOM 0 H ARG A 194 -10.578 -2.167 1.814 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.850 -1.566 -0.017 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.278 -3.065 -0.125 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.615 -3.874 -0.917 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -11.994 -2.057 -2.425 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -11.151 -0.908 -1.406 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -9.406 -3.160 -2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -10.045 -2.322 -3.586 1.00 0.00 H new ATOM 0 HE ARG A 194 -8.050 -1.254 -1.716 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -8.413 -0.468 -4.643 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -8.980 1.198 -4.492 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -9.828 0.866 -1.117 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -9.773 1.947 -2.513 1.00 0.00 H new ATOM 828 N GLY A 195 -13.150 -3.584 2.310 1.00 0.00 N ATOM 829 CA GLY A 195 -14.009 -4.646 2.907 1.00 0.00 C ATOM 830 C GLY A 195 -13.249 -5.973 2.929 1.00 0.00 C ATOM 831 O GLY A 195 -12.576 -6.298 3.887 1.00 0.00 O ATOM 0 H GLY A 195 -12.624 -3.022 2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -14.300 -4.366 3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -14.927 -4.752 2.330 1.00 0.00 H new ATOM 835 N SER A 196 -13.355 -6.749 1.883 1.00 0.00 N ATOM 836 CA SER A 196 -12.640 -8.056 1.855 1.00 0.00 C ATOM 837 C SER A 196 -12.033 -8.288 0.468 1.00 0.00 C ATOM 838 O SER A 196 -10.857 -8.069 0.250 1.00 0.00 O ATOM 839 CB SER A 196 -13.624 -9.181 2.174 1.00 0.00 C ATOM 840 OG SER A 196 -12.946 -10.429 2.115 1.00 0.00 O ATOM 0 H SER A 196 -13.904 -6.535 1.050 1.00 0.00 H new ATOM 0 HA SER A 196 -11.843 -8.045 2.598 1.00 0.00 H new ATOM 0 HB2 SER A 196 -14.053 -9.034 3.165 1.00 0.00 H new ATOM 0 HB3 SER A 196 -14.450 -9.169 1.463 1.00 0.00 H new ATOM 0 HG SER A 196 -11.997 -10.296 2.319 1.00 0.00 H new ATOM 846 N ARG A 197 -12.823 -8.737 -0.469 1.00 0.00 N ATOM 847 CA ARG A 197 -12.287 -8.990 -1.837 1.00 0.00 C ATOM 848 C ARG A 197 -11.635 -7.719 -2.381 1.00 0.00 C ATOM 849 O ARG A 197 -12.297 -6.740 -2.665 1.00 0.00 O ATOM 850 CB ARG A 197 -13.430 -9.411 -2.762 1.00 0.00 C ATOM 851 CG ARG A 197 -13.022 -10.663 -3.541 1.00 0.00 C ATOM 852 CD ARG A 197 -13.502 -10.545 -4.988 1.00 0.00 C ATOM 853 NE ARG A 197 -13.787 -11.903 -5.529 1.00 0.00 N ATOM 854 CZ ARG A 197 -14.747 -12.070 -6.398 1.00 0.00 C ATOM 855 NH1 ARG A 197 -15.161 -11.062 -7.116 1.00 0.00 N ATOM 856 NH2 ARG A 197 -15.292 -13.246 -6.549 1.00 0.00 N ATOM 0 H ARG A 197 -13.815 -8.939 -0.347 1.00 0.00 H new ATOM 0 HA ARG A 197 -11.542 -9.785 -1.790 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -14.329 -9.610 -2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -13.670 -8.602 -3.452 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -11.939 -10.783 -3.515 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -13.452 -11.550 -3.076 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -14.399 -9.927 -5.036 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -12.743 -10.052 -5.595 1.00 0.00 H new ATOM 0 HE ARG A 197 -13.233 -12.702 -5.221 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -14.735 -10.143 -6.999 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -15.911 -11.193 -7.795 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -14.968 -14.034 -5.988 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -16.042 -13.377 -7.228 1.00 0.00 H new ATOM 870 N ALA A 198 -10.340 -7.728 -2.534 1.00 0.00 N ATOM 871 CA ALA A 198 -9.642 -6.523 -3.063 1.00 0.00 C ATOM 872 C ALA A 198 -8.383 -6.957 -3.818 1.00 0.00 C ATOM 873 O ALA A 198 -7.983 -8.104 -3.768 1.00 0.00 O ATOM 874 CB ALA A 198 -9.255 -5.607 -1.901 1.00 0.00 C ATOM 0 H ALA A 198 -9.734 -8.519 -2.315 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.304 -5.985 -3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.744 -4.725 -2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.153 -5.300 -1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.592 -6.142 -1.221 1.00 0.00 H new ATOM 880 N LEU A 199 -7.756 -6.051 -4.517 1.00 0.00 N ATOM 881 CA LEU A 199 -6.525 -6.416 -5.273 1.00 0.00 C ATOM 882 C LEU A 199 -5.292 -6.028 -4.456 1.00 0.00 C ATOM 883 O LEU A 199 -4.970 -4.865 -4.315 1.00 0.00 O ATOM 884 CB LEU A 199 -6.507 -5.669 -6.609 1.00 0.00 C ATOM 885 CG LEU A 199 -6.754 -6.655 -7.752 1.00 0.00 C ATOM 886 CD1 LEU A 199 -8.251 -6.709 -8.068 1.00 0.00 C ATOM 887 CD2 LEU A 199 -5.988 -6.195 -8.994 1.00 0.00 C ATOM 0 H LEU A 199 -8.042 -5.075 -4.597 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.516 -7.490 -5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.272 -4.893 -6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.547 -5.171 -6.746 1.00 0.00 H new ATOM 0 HG LEU A 199 -6.410 -7.646 -7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -8.426 -7.412 -8.883 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -8.798 -7.035 -7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.597 -5.718 -8.363 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -6.163 -6.896 -9.810 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.333 -5.204 -9.288 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -4.922 -6.157 -8.771 1.00 0.00 H new ATOM 899 N LEU A 200 -4.595 -6.993 -3.917 1.00 0.00 N ATOM 900 CA LEU A 200 -3.381 -6.673 -3.112 1.00 0.00 C ATOM 901 C LEU A 200 -2.149 -7.241 -3.814 1.00 0.00 C ATOM 902 O LEU A 200 -2.241 -8.162 -4.601 1.00 0.00 O ATOM 903 CB LEU A 200 -3.479 -7.281 -1.702 1.00 0.00 C ATOM 904 CG LEU A 200 -4.820 -7.994 -1.515 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.787 -8.817 -0.226 1.00 0.00 C ATOM 906 CD2 LEU A 200 -5.937 -6.953 -1.427 1.00 0.00 C ATOM 0 H LEU A 200 -4.813 -7.986 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.302 -5.590 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.662 -7.985 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.371 -6.496 -0.953 1.00 0.00 H new ATOM 0 HG LEU A 200 -5.002 -8.656 -2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.743 -9.324 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.989 -9.557 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.606 -8.157 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.894 -7.457 -1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.753 -6.293 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -5.961 -6.366 -2.345 1.00 0.00 H new ATOM 918 N ASN A 201 -0.993 -6.711 -3.528 1.00 0.00 N ATOM 919 CA ASN A 201 0.238 -7.243 -4.178 1.00 0.00 C ATOM 920 C ASN A 201 0.389 -8.709 -3.781 1.00 0.00 C ATOM 921 O ASN A 201 0.891 -9.523 -4.531 1.00 0.00 O ATOM 922 CB ASN A 201 1.477 -6.468 -3.710 1.00 0.00 C ATOM 923 CG ASN A 201 1.091 -5.051 -3.286 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.316 -4.677 -2.059 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.583 -4.282 -4.078 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.847 -5.939 -2.878 1.00 0.00 H new ATOM 0 HA ASN A 201 0.151 -7.137 -5.259 1.00 0.00 H new ATOM 0 HB2 ASN A 201 1.946 -6.989 -2.875 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.213 -6.426 -4.513 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.409 -4.580 -5.038 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.331 -3.339 -3.783 1.00 0.00 H new ATOM 932 N PHE A 202 -0.052 -9.048 -2.600 1.00 0.00 N ATOM 933 CA PHE A 202 0.050 -10.456 -2.131 1.00 0.00 C ATOM 934 C PHE A 202 -1.351 -10.973 -1.792 1.00 0.00 C ATOM 935 O PHE A 202 -1.764 -10.941 -0.650 1.00 0.00 O ATOM 936 CB PHE A 202 0.932 -10.510 -0.881 1.00 0.00 C ATOM 937 CG PHE A 202 2.161 -9.662 -1.098 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.760 -9.610 -2.362 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.705 -8.933 -0.034 1.00 0.00 C ATOM 940 CE1 PHE A 202 3.902 -8.828 -2.564 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.848 -8.150 -0.235 1.00 0.00 C ATOM 942 CZ PHE A 202 4.447 -8.098 -1.501 1.00 0.00 C ATOM 0 H PHE A 202 -0.482 -8.404 -1.936 1.00 0.00 H new ATOM 0 HA PHE A 202 0.490 -11.076 -2.912 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.377 -10.150 -0.015 1.00 0.00 H new ATOM 0 HB3 PHE A 202 1.220 -11.540 -0.670 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.340 -10.174 -3.182 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.243 -8.975 0.941 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.363 -8.787 -3.540 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.268 -7.586 0.585 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.329 -7.495 -1.657 1.00 0.00 H new ATOM 952 N PRO A 203 -2.044 -11.430 -2.804 1.00 0.00 N ATOM 953 CA PRO A 203 -3.410 -11.958 -2.654 1.00 0.00 C ATOM 954 C PRO A 203 -3.372 -13.369 -2.060 1.00 0.00 C ATOM 955 O PRO A 203 -2.474 -14.142 -2.329 1.00 0.00 O ATOM 956 CB PRO A 203 -3.946 -11.980 -4.088 1.00 0.00 C ATOM 957 CG PRO A 203 -2.708 -12.005 -5.017 1.00 0.00 C ATOM 958 CD PRO A 203 -1.526 -11.468 -4.187 1.00 0.00 C ATOM 0 HA PRO A 203 -4.031 -11.363 -1.984 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -4.574 -12.855 -4.254 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.562 -11.103 -4.286 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -2.507 -13.017 -5.368 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -2.874 -11.388 -5.900 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -0.654 -12.117 -4.268 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.219 -10.478 -4.525 1.00 0.00 H new