USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 461 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 127 TYR OH : rot 180:sc= -0.306 USER MOD Set 1.2: A 131 ASN : amide:sc= -3.39! C(o=-3.7!,f=-4.1!) USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -4.87! C(o=-4.9!,f=-6.8!) USER MOD Single : A 101 LYS NZ :NH3+ 158:sc= -0.0153 (180deg=-0.197) USER MOD Single : A 102 THR OG1 : rot -80:sc= -0.628 USER MOD Single : A 109 TYR OH : rot 180:sc= -2.93! USER MOD Single : A 112 SER OG : rot 180:sc= -0.557 USER MOD Single : A 114 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.44) USER MOD Single : A 117 LYS NZ :NH3+ -166:sc=-0.00915 (180deg=-0.29) USER MOD Single : A 120 SER OG : rot -150:sc= -1.79 USER MOD Single : A 121 LYS NZ :NH3+ -167:sc= -0.0208 (180deg=-0.338) USER MOD Single : A 122 SER OG : rot 180:sc= -0.234 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 163:sc= -0.0477 (180deg=-0.443) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 87 24.996 3.230 -26.313 1.00 0.00 N ATOM 135 CA PRO A 87 25.557 1.876 -26.595 1.00 0.00 C ATOM 136 C PRO A 87 25.759 1.644 -28.091 1.00 0.00 C ATOM 137 O PRO A 87 24.938 2.054 -28.912 1.00 0.00 O ATOM 138 CB PRO A 87 24.500 0.924 -26.034 1.00 0.00 C ATOM 139 CG PRO A 87 23.777 1.709 -24.993 1.00 0.00 C ATOM 140 CD PRO A 87 23.782 3.157 -25.484 1.00 0.00 C ATOM 0 HA PRO A 87 26.542 1.736 -26.149 1.00 0.00 H new ATOM 0 HB2 PRO A 87 23.819 0.587 -26.816 1.00 0.00 H new ATOM 0 HB3 PRO A 87 24.960 0.033 -25.606 1.00 0.00 H new ATOM 0 HG2 PRO A 87 22.758 1.343 -24.865 1.00 0.00 H new ATOM 0 HG3 PRO A 87 24.271 1.623 -24.025 1.00 0.00 H new ATOM 0 HD2 PRO A 87 22.887 3.389 -26.061 1.00 0.00 H new ATOM 0 HD3 PRO A 87 23.819 3.863 -24.654 1.00 0.00 H new ATOM 148 N CYS A 88 26.863 0.991 -28.437 1.00 0.00 N ATOM 149 CA CYS A 88 27.172 0.722 -29.835 1.00 0.00 C ATOM 150 C CYS A 88 26.340 -0.442 -30.360 1.00 0.00 C ATOM 151 O CYS A 88 26.357 -1.534 -29.795 1.00 0.00 O ATOM 152 CB CYS A 88 28.660 0.396 -29.987 1.00 0.00 C ATOM 153 SG CYS A 88 29.038 0.089 -31.732 1.00 0.00 S ATOM 0 H CYS A 88 27.554 0.641 -27.773 1.00 0.00 H new ATOM 0 HA CYS A 88 26.931 1.613 -30.415 1.00 0.00 H new ATOM 0 HB2 CYS A 88 29.264 1.223 -29.613 1.00 0.00 H new ATOM 0 HB3 CYS A 88 28.914 -0.480 -29.390 1.00 0.00 H new ATOM 0 HG CYS A 88 30.302 -0.186 -31.860 1.00 0.00 H new ATOM 159 N GLY A 89 25.616 -0.202 -31.447 1.00 0.00 N ATOM 160 CA GLY A 89 24.790 -1.235 -32.056 1.00 0.00 C ATOM 161 C GLY A 89 23.338 -1.117 -31.608 1.00 0.00 C ATOM 162 O GLY A 89 22.426 -1.524 -32.323 1.00 0.00 O ATOM 0 H GLY A 89 25.585 0.699 -31.924 1.00 0.00 H new ATOM 0 HA2 GLY A 89 24.846 -1.155 -33.142 1.00 0.00 H new ATOM 0 HA3 GLY A 89 25.177 -2.218 -31.788 1.00 0.00 H new ATOM 166 N TRP A 90 23.135 -0.547 -30.426 1.00 0.00 N ATOM 167 CA TRP A 90 21.791 -0.355 -29.890 1.00 0.00 C ATOM 168 C TRP A 90 21.494 1.127 -29.690 1.00 0.00 C ATOM 169 O TRP A 90 22.405 1.923 -29.458 1.00 0.00 O ATOM 170 CB TRP A 90 21.638 -1.105 -28.575 1.00 0.00 C ATOM 171 CG TRP A 90 21.697 -2.577 -28.833 1.00 0.00 C ATOM 172 CD1 TRP A 90 22.832 -3.287 -29.025 1.00 0.00 C ATOM 173 CD2 TRP A 90 20.598 -3.531 -28.917 1.00 0.00 C ATOM 174 NE1 TRP A 90 22.501 -4.614 -29.231 1.00 0.00 N ATOM 175 CE2 TRP A 90 21.135 -4.815 -29.170 1.00 0.00 C ATOM 176 CE3 TRP A 90 19.201 -3.407 -28.800 1.00 0.00 C ATOM 177 CZ2 TRP A 90 20.317 -5.937 -29.304 1.00 0.00 C ATOM 178 CZ3 TRP A 90 18.376 -4.536 -28.934 1.00 0.00 C ATOM 179 CH2 TRP A 90 18.932 -5.798 -29.184 1.00 0.00 C ATOM 0 H TRP A 90 23.883 -0.210 -29.820 1.00 0.00 H new ATOM 0 HA TRP A 90 21.075 -0.753 -30.609 1.00 0.00 H new ATOM 0 HB2 TRP A 90 22.429 -0.814 -27.883 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.690 -0.845 -28.103 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.834 -2.883 -29.019 1.00 0.00 H new ATOM 0 HE1 TRP A 90 23.181 -5.353 -29.406 1.00 0.00 H new ATOM 0 HE3 TRP A 90 18.761 -2.440 -28.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 20.751 -6.906 -29.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 17.305 -4.431 -28.844 1.00 0.00 H new ATOM 0 HH2 TRP A 90 18.291 -6.661 -29.284 1.00 0.00 H new ATOM 190 N GLU A 91 20.216 1.492 -29.765 1.00 0.00 N ATOM 191 CA GLU A 91 19.819 2.879 -29.573 1.00 0.00 C ATOM 192 C GLU A 91 18.574 2.965 -28.693 1.00 0.00 C ATOM 193 O GLU A 91 17.750 2.050 -28.682 1.00 0.00 O ATOM 194 CB GLU A 91 19.536 3.530 -30.926 1.00 0.00 C ATOM 195 CG GLU A 91 20.833 3.615 -31.731 1.00 0.00 C ATOM 196 CD GLU A 91 20.555 4.215 -33.106 1.00 0.00 C ATOM 197 OE1 GLU A 91 19.392 4.351 -33.447 1.00 0.00 O ATOM 198 OE2 GLU A 91 21.510 4.531 -33.796 1.00 0.00 O ATOM 0 H GLU A 91 19.446 0.851 -29.956 1.00 0.00 H new ATOM 0 HA GLU A 91 20.635 3.406 -29.079 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.793 2.949 -31.473 1.00 0.00 H new ATOM 0 HB3 GLU A 91 19.119 4.527 -30.782 1.00 0.00 H new ATOM 0 HG2 GLU A 91 21.562 4.226 -31.199 1.00 0.00 H new ATOM 0 HG3 GLU A 91 21.269 2.622 -31.840 1.00 0.00 H new ATOM 205 N ARG A 92 18.444 4.069 -27.963 1.00 0.00 N ATOM 206 CA ARG A 92 17.291 4.262 -27.088 1.00 0.00 C ATOM 207 C ARG A 92 16.499 5.495 -27.515 1.00 0.00 C ATOM 208 O ARG A 92 17.075 6.526 -27.862 1.00 0.00 O ATOM 209 CB ARG A 92 17.757 4.430 -25.642 1.00 0.00 C ATOM 210 CG ARG A 92 18.529 3.183 -25.206 1.00 0.00 C ATOM 211 CD ARG A 92 18.634 3.154 -23.680 1.00 0.00 C ATOM 212 NE ARG A 92 19.316 4.349 -23.198 1.00 0.00 N ATOM 213 CZ ARG A 92 20.643 4.427 -23.190 1.00 0.00 C ATOM 214 NH1 ARG A 92 21.358 3.423 -23.619 1.00 0.00 N ATOM 215 NH2 ARG A 92 21.230 5.507 -22.753 1.00 0.00 N ATOM 0 H ARG A 92 19.115 4.837 -27.959 1.00 0.00 H new ATOM 0 HA ARG A 92 16.648 3.385 -27.163 1.00 0.00 H new ATOM 0 HB2 ARG A 92 18.391 5.312 -25.553 1.00 0.00 H new ATOM 0 HB3 ARG A 92 16.899 4.587 -24.988 1.00 0.00 H new ATOM 0 HG2 ARG A 92 18.023 2.286 -25.563 1.00 0.00 H new ATOM 0 HG3 ARG A 92 19.525 3.185 -25.649 1.00 0.00 H new ATOM 0 HD2 ARG A 92 17.638 3.093 -23.241 1.00 0.00 H new ATOM 0 HD3 ARG A 92 19.177 2.264 -23.363 1.00 0.00 H new ATOM 0 HE ARG A 92 18.765 5.139 -22.861 1.00 0.00 H new ATOM 0 HH11 ARG A 92 20.899 2.579 -23.960 1.00 0.00 H new ATOM 0 HH12 ARG A 92 22.376 3.483 -23.613 1.00 0.00 H new ATOM 0 HH21 ARG A 92 20.671 6.291 -22.418 1.00 0.00 H new ATOM 0 HH22 ARG A 92 22.248 5.567 -22.747 1.00 0.00 H new ATOM 229 N VAL A 93 15.177 5.377 -27.491 1.00 0.00 N ATOM 230 CA VAL A 93 14.309 6.481 -27.880 1.00 0.00 C ATOM 231 C VAL A 93 13.148 6.630 -26.905 1.00 0.00 C ATOM 232 O VAL A 93 12.569 5.636 -26.466 1.00 0.00 O ATOM 233 CB VAL A 93 13.768 6.248 -29.291 1.00 0.00 C ATOM 234 CG1 VAL A 93 12.637 7.238 -29.575 1.00 0.00 C ATOM 235 CG2 VAL A 93 14.893 6.460 -30.310 1.00 0.00 C ATOM 0 H VAL A 93 14.684 4.530 -27.207 1.00 0.00 H new ATOM 0 HA VAL A 93 14.897 7.399 -27.862 1.00 0.00 H new ATOM 0 HB VAL A 93 13.389 5.229 -29.370 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.252 7.071 -30.581 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.836 7.092 -28.851 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.017 8.257 -29.496 1.00 0.00 H new ATOM 0 HG21 VAL A 93 14.508 6.294 -31.316 1.00 0.00 H new ATOM 0 HG22 VAL A 93 15.270 7.480 -30.229 1.00 0.00 H new ATOM 0 HG23 VAL A 93 15.702 5.757 -30.110 1.00 0.00 H new ATOM 245 N VAL A 94 12.810 7.874 -26.575 1.00 0.00 N ATOM 246 CA VAL A 94 11.704 8.136 -25.661 1.00 0.00 C ATOM 247 C VAL A 94 10.637 8.985 -26.345 1.00 0.00 C ATOM 248 O VAL A 94 10.934 10.048 -26.892 1.00 0.00 O ATOM 249 CB VAL A 94 12.215 8.860 -24.418 1.00 0.00 C ATOM 250 CG1 VAL A 94 13.261 7.991 -23.716 1.00 0.00 C ATOM 251 CG2 VAL A 94 12.851 10.190 -24.829 1.00 0.00 C ATOM 0 H VAL A 94 13.282 8.709 -26.923 1.00 0.00 H new ATOM 0 HA VAL A 94 11.263 7.183 -25.369 1.00 0.00 H new ATOM 0 HB VAL A 94 11.383 9.048 -23.739 1.00 0.00 H new ATOM 0 HG11 VAL A 94 13.626 8.507 -22.828 1.00 0.00 H new ATOM 0 HG12 VAL A 94 12.810 7.043 -23.424 1.00 0.00 H new ATOM 0 HG13 VAL A 94 14.093 7.803 -24.395 1.00 0.00 H new ATOM 0 HG21 VAL A 94 13.216 10.708 -23.942 1.00 0.00 H new ATOM 0 HG22 VAL A 94 13.683 10.001 -25.507 1.00 0.00 H new ATOM 0 HG23 VAL A 94 12.107 10.809 -25.330 1.00 0.00 H new ATOM 261 N LYS A 95 9.397 8.507 -26.314 1.00 0.00 N ATOM 262 CA LYS A 95 8.294 9.230 -26.939 1.00 0.00 C ATOM 263 C LYS A 95 7.154 9.436 -25.946 1.00 0.00 C ATOM 264 O LYS A 95 6.745 8.503 -25.257 1.00 0.00 O ATOM 265 CB LYS A 95 7.779 8.445 -28.149 1.00 0.00 C ATOM 266 CG LYS A 95 6.836 9.327 -28.972 1.00 0.00 C ATOM 267 CD LYS A 95 7.648 10.155 -29.971 1.00 0.00 C ATOM 268 CE LYS A 95 6.701 10.990 -30.831 1.00 0.00 C ATOM 269 NZ LYS A 95 7.492 11.789 -31.809 1.00 0.00 N ATOM 0 H LYS A 95 9.132 7.630 -25.867 1.00 0.00 H new ATOM 0 HA LYS A 95 8.660 10.205 -27.262 1.00 0.00 H new ATOM 0 HB2 LYS A 95 8.616 8.117 -28.765 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.257 7.548 -27.817 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.112 8.708 -29.501 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.270 9.986 -28.313 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.343 10.806 -29.440 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.246 9.498 -30.603 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.002 10.340 -31.357 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.108 11.652 -30.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 6.848 12.358 -32.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.142 12.419 -31.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.039 11.148 -32.419 1.00 0.00 H new ATOM 283 N GLN A 96 6.649 10.663 -25.883 1.00 0.00 N ATOM 284 CA GLN A 96 5.556 10.986 -24.973 1.00 0.00 C ATOM 285 C GLN A 96 4.248 11.177 -25.746 1.00 0.00 C ATOM 286 O GLN A 96 4.227 11.832 -26.783 1.00 0.00 O ATOM 287 CB GLN A 96 5.882 12.260 -24.195 1.00 0.00 C ATOM 288 CG GLN A 96 4.678 12.655 -23.338 1.00 0.00 C ATOM 289 CD GLN A 96 3.851 13.718 -24.053 1.00 0.00 C ATOM 290 OE1 GLN A 96 4.038 13.956 -25.247 1.00 0.00 O ATOM 291 NE2 GLN A 96 2.946 14.384 -23.390 1.00 0.00 N ATOM 0 H GLN A 96 6.977 11.447 -26.448 1.00 0.00 H new ATOM 0 HA GLN A 96 5.434 10.157 -24.276 1.00 0.00 H new ATOM 0 HB2 GLN A 96 6.755 12.100 -23.563 1.00 0.00 H new ATOM 0 HB3 GLN A 96 6.132 13.066 -24.885 1.00 0.00 H new ATOM 0 HG2 GLN A 96 4.062 11.779 -23.137 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.017 13.034 -22.374 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.791 14.187 -22.401 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.394 15.101 -23.860 1.00 0.00 H new ATOM 300 N ARG A 97 3.174 10.592 -25.231 1.00 0.00 N ATOM 301 CA ARG A 97 1.875 10.695 -25.879 1.00 0.00 C ATOM 302 C ARG A 97 1.193 11.995 -25.481 1.00 0.00 C ATOM 303 O ARG A 97 1.515 12.592 -24.451 1.00 0.00 O ATOM 304 CB ARG A 97 0.993 9.514 -25.483 1.00 0.00 C ATOM 305 CG ARG A 97 1.869 8.362 -24.974 1.00 0.00 C ATOM 306 CD ARG A 97 1.851 8.348 -23.443 1.00 0.00 C ATOM 307 NE ARG A 97 2.372 7.078 -22.950 1.00 0.00 N ATOM 308 CZ ARG A 97 1.564 6.049 -22.713 1.00 0.00 C ATOM 309 NH1 ARG A 97 0.279 6.164 -22.921 1.00 0.00 N ATOM 310 NH2 ARG A 97 2.054 4.924 -22.270 1.00 0.00 N ATOM 0 H ARG A 97 3.177 10.044 -24.371 1.00 0.00 H new ATOM 0 HA ARG A 97 2.024 10.684 -26.959 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.288 9.817 -24.709 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.404 9.185 -26.339 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.501 7.412 -25.362 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.890 8.480 -25.336 1.00 0.00 H new ATOM 0 HD2 ARG A 97 2.451 9.172 -23.056 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.834 8.498 -23.082 1.00 0.00 H new ATOM 0 HE ARG A 97 3.373 6.978 -22.784 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.105 7.044 -23.266 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.340 5.374 -22.739 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.057 4.834 -22.106 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.434 4.134 -22.088 1.00 0.00 H new ATOM 324 N LEU A 98 0.246 12.436 -26.301 1.00 0.00 N ATOM 325 CA LEU A 98 -0.483 13.665 -26.016 1.00 0.00 C ATOM 326 C LEU A 98 -1.211 13.562 -24.682 1.00 0.00 C ATOM 327 O LEU A 98 -0.622 13.799 -23.631 1.00 0.00 O ATOM 328 CB LEU A 98 -1.501 13.937 -27.131 1.00 0.00 C ATOM 329 CG LEU A 98 -0.795 14.585 -28.323 1.00 0.00 C ATOM 330 CD1 LEU A 98 -0.342 15.998 -27.948 1.00 0.00 C ATOM 331 CD2 LEU A 98 0.427 13.743 -28.707 1.00 0.00 C ATOM 0 H LEU A 98 -0.033 11.965 -27.162 1.00 0.00 H new ATOM 0 HA LEU A 98 0.233 14.485 -25.964 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.976 13.005 -27.439 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.292 14.591 -26.764 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.483 14.639 -29.166 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.161 16.457 -28.799 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.210 16.597 -27.673 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.346 15.948 -27.104 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.933 14.202 -29.556 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.113 13.690 -27.861 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.106 12.737 -28.976 1.00 0.00 H new ATOM 343 N PHE A 99 -2.491 13.202 -24.735 1.00 0.00 N ATOM 344 CA PHE A 99 -3.287 13.064 -23.523 1.00 0.00 C ATOM 345 C PHE A 99 -4.306 11.938 -23.667 1.00 0.00 C ATOM 346 O PHE A 99 -4.724 11.609 -24.776 1.00 0.00 O ATOM 347 CB PHE A 99 -4.011 14.377 -23.220 1.00 0.00 C ATOM 348 CG PHE A 99 -3.005 15.496 -23.101 1.00 0.00 C ATOM 349 CD1 PHE A 99 -1.944 15.393 -22.189 1.00 0.00 C ATOM 350 CD2 PHE A 99 -3.125 16.637 -23.905 1.00 0.00 C ATOM 351 CE1 PHE A 99 -1.009 16.427 -22.083 1.00 0.00 C ATOM 352 CE2 PHE A 99 -2.188 17.672 -23.796 1.00 0.00 C ATOM 353 CZ PHE A 99 -1.131 17.567 -22.883 1.00 0.00 C ATOM 0 H PHE A 99 -2.995 13.002 -25.599 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.615 12.821 -22.700 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.726 14.600 -24.012 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.579 14.285 -22.294 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.849 14.514 -21.568 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.940 16.718 -24.609 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.191 16.345 -21.382 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.280 18.551 -24.416 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.410 18.367 -22.797 1.00 0.00 H new ATOM 363 N GLY A 100 -4.702 11.353 -22.541 1.00 0.00 N ATOM 364 CA GLY A 100 -5.676 10.268 -22.559 1.00 0.00 C ATOM 365 C GLY A 100 -5.927 9.744 -21.148 1.00 0.00 C ATOM 366 O GLY A 100 -6.105 10.521 -20.210 1.00 0.00 O ATOM 0 H GLY A 100 -4.367 11.609 -21.612 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -6.612 10.620 -22.993 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.315 9.459 -23.194 1.00 0.00 H new ATOM 370 N LYS A 101 -5.942 8.425 -21.008 1.00 0.00 N ATOM 371 CA LYS A 101 -6.159 7.806 -19.707 1.00 0.00 C ATOM 372 C LYS A 101 -4.842 7.709 -18.936 1.00 0.00 C ATOM 373 O LYS A 101 -4.829 7.354 -17.757 1.00 0.00 O ATOM 374 CB LYS A 101 -6.753 6.407 -19.880 1.00 0.00 C ATOM 375 CG LYS A 101 -8.020 6.280 -19.030 1.00 0.00 C ATOM 376 CD LYS A 101 -8.317 4.803 -18.775 1.00 0.00 C ATOM 377 CE LYS A 101 -7.671 4.374 -17.456 1.00 0.00 C ATOM 378 NZ LYS A 101 -8.465 4.916 -16.315 1.00 0.00 N ATOM 0 H LYS A 101 -5.807 7.766 -21.775 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.856 8.426 -19.144 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.987 6.227 -20.929 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.025 5.652 -19.582 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.890 6.804 -18.083 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.862 6.748 -19.540 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.394 4.639 -18.735 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.932 4.197 -19.595 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -7.626 3.287 -17.398 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.645 4.739 -17.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.278 4.351 -15.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.193 5.905 -16.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.478 4.871 -16.545 1.00 0.00 H new ATOM 392 N THR A 102 -3.737 8.019 -19.616 1.00 0.00 N ATOM 393 CA THR A 102 -2.425 7.954 -18.986 1.00 0.00 C ATOM 394 C THR A 102 -1.677 9.267 -19.176 1.00 0.00 C ATOM 395 O THR A 102 -0.485 9.351 -18.879 1.00 0.00 O ATOM 396 CB THR A 102 -1.616 6.806 -19.585 1.00 0.00 C ATOM 397 OG1 THR A 102 -1.051 7.223 -20.818 1.00 0.00 O ATOM 398 CG2 THR A 102 -2.534 5.607 -19.828 1.00 0.00 C ATOM 0 H THR A 102 -3.727 8.314 -20.592 1.00 0.00 H new ATOM 0 HA THR A 102 -2.560 7.780 -17.919 1.00 0.00 H new ATOM 0 HB THR A 102 -0.821 6.522 -18.895 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.729 7.169 -21.524 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.957 4.787 -20.256 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.973 5.287 -18.883 1.00 0.00 H new ATOM 0 HG23 THR A 102 -3.328 5.891 -20.519 1.00 0.00 H new ATOM 406 N ALA A 103 -2.376 10.277 -19.684 1.00 0.00 N ATOM 407 CA ALA A 103 -1.761 11.577 -19.917 1.00 0.00 C ATOM 408 C ALA A 103 -0.621 11.832 -18.928 1.00 0.00 C ATOM 409 O ALA A 103 -0.842 11.923 -17.723 1.00 0.00 O ATOM 410 CB ALA A 103 -2.813 12.681 -19.745 1.00 0.00 C ATOM 0 H ALA A 103 -3.362 10.221 -19.940 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.360 11.584 -20.931 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.352 13.653 -19.919 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.621 12.529 -20.461 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.215 12.646 -18.732 1.00 0.00 H new ATOM 416 N GLY A 104 0.596 11.921 -19.458 1.00 0.00 N ATOM 417 CA GLY A 104 1.765 12.170 -18.624 1.00 0.00 C ATOM 418 C GLY A 104 2.688 10.960 -18.573 1.00 0.00 C ATOM 419 O GLY A 104 3.838 11.069 -18.148 1.00 0.00 O ATOM 0 H GLY A 104 0.796 11.825 -20.454 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.312 13.029 -19.012 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.444 12.426 -17.614 1.00 0.00 H new ATOM 423 N ARG A 105 2.181 9.817 -19.011 1.00 0.00 N ATOM 424 CA ARG A 105 2.974 8.593 -19.017 1.00 0.00 C ATOM 425 C ARG A 105 4.142 8.716 -19.990 1.00 0.00 C ATOM 426 O ARG A 105 4.083 9.487 -20.948 1.00 0.00 O ATOM 427 CB ARG A 105 2.098 7.404 -19.411 1.00 0.00 C ATOM 428 CG ARG A 105 2.728 6.110 -18.891 1.00 0.00 C ATOM 429 CD ARG A 105 2.115 5.747 -17.538 1.00 0.00 C ATOM 430 NE ARG A 105 2.457 6.758 -16.543 1.00 0.00 N ATOM 431 CZ ARG A 105 1.575 7.680 -16.164 1.00 0.00 C ATOM 432 NH1 ARG A 105 0.378 7.695 -16.684 1.00 0.00 N ATOM 433 NH2 ARG A 105 1.907 8.571 -15.272 1.00 0.00 N ATOM 0 H ARG A 105 1.230 9.710 -19.365 1.00 0.00 H new ATOM 0 HA ARG A 105 3.369 8.433 -18.014 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.096 7.524 -18.998 1.00 0.00 H new ATOM 0 HB3 ARG A 105 1.993 7.360 -20.495 1.00 0.00 H new ATOM 0 HG2 ARG A 105 2.564 5.302 -19.604 1.00 0.00 H new ATOM 0 HG3 ARG A 105 3.806 6.233 -18.791 1.00 0.00 H new ATOM 0 HD2 ARG A 105 1.032 5.669 -17.630 1.00 0.00 H new ATOM 0 HD3 ARG A 105 2.479 4.771 -17.216 1.00 0.00 H new ATOM 0 HE ARG A 105 3.390 6.758 -16.130 1.00 0.00 H new ATOM 0 HH11 ARG A 105 0.117 6.999 -17.382 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -0.296 8.403 -16.392 1.00 0.00 H new ATOM 0 HH21 ARG A 105 2.842 8.561 -14.865 1.00 0.00 H new ATOM 0 HH22 ARG A 105 1.232 9.278 -14.981 1.00 0.00 H new ATOM 447 N PHE A 106 5.198 7.946 -19.739 1.00 0.00 N ATOM 448 CA PHE A 106 6.373 7.973 -20.604 1.00 0.00 C ATOM 449 C PHE A 106 6.554 6.628 -21.303 1.00 0.00 C ATOM 450 O PHE A 106 6.406 5.574 -20.685 1.00 0.00 O ATOM 451 CB PHE A 106 7.618 8.296 -19.777 1.00 0.00 C ATOM 452 CG PHE A 106 7.489 9.682 -19.196 1.00 0.00 C ATOM 453 CD1 PHE A 106 7.930 10.791 -19.929 1.00 0.00 C ATOM 454 CD2 PHE A 106 6.932 9.859 -17.924 1.00 0.00 C ATOM 455 CE1 PHE A 106 7.812 12.078 -19.388 1.00 0.00 C ATOM 456 CE2 PHE A 106 6.815 11.147 -17.385 1.00 0.00 C ATOM 457 CZ PHE A 106 7.254 12.256 -18.116 1.00 0.00 C ATOM 0 H PHE A 106 5.264 7.302 -18.951 1.00 0.00 H new ATOM 0 HA PHE A 106 6.230 8.744 -21.361 1.00 0.00 H new ATOM 0 HB2 PHE A 106 7.737 7.564 -18.978 1.00 0.00 H new ATOM 0 HB3 PHE A 106 8.509 8.233 -20.402 1.00 0.00 H new ATOM 0 HD1 PHE A 106 8.360 10.654 -20.910 1.00 0.00 H new ATOM 0 HD2 PHE A 106 6.593 9.004 -17.359 1.00 0.00 H new ATOM 0 HE1 PHE A 106 8.152 12.934 -19.953 1.00 0.00 H new ATOM 0 HE2 PHE A 106 6.385 11.284 -16.404 1.00 0.00 H new ATOM 0 HZ PHE A 106 7.163 13.248 -17.700 1.00 0.00 H new ATOM 467 N ASP A 107 6.875 6.677 -22.595 1.00 0.00 N ATOM 468 CA ASP A 107 7.069 5.455 -23.368 1.00 0.00 C ATOM 469 C ASP A 107 8.450 5.442 -24.015 1.00 0.00 C ATOM 470 O ASP A 107 8.840 6.403 -24.678 1.00 0.00 O ATOM 471 CB ASP A 107 5.994 5.353 -24.450 1.00 0.00 C ATOM 472 CG ASP A 107 4.628 5.125 -23.809 1.00 0.00 C ATOM 473 OD1 ASP A 107 4.593 4.823 -22.630 1.00 0.00 O ATOM 474 OD2 ASP A 107 3.637 5.260 -24.506 1.00 0.00 O ATOM 0 H ASP A 107 7.005 7.540 -23.122 1.00 0.00 H new ATOM 0 HA ASP A 107 6.991 4.602 -22.694 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.978 6.266 -25.045 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.227 4.533 -25.130 1.00 0.00 H new ATOM 479 N VAL A 108 9.181 4.352 -23.813 1.00 0.00 N ATOM 480 CA VAL A 108 10.520 4.229 -24.379 1.00 0.00 C ATOM 481 C VAL A 108 10.699 2.865 -25.035 1.00 0.00 C ATOM 482 O VAL A 108 10.028 1.898 -24.671 1.00 0.00 O ATOM 483 CB VAL A 108 11.568 4.409 -23.283 1.00 0.00 C ATOM 484 CG1 VAL A 108 11.193 5.605 -22.406 1.00 0.00 C ATOM 485 CG2 VAL A 108 11.636 3.146 -22.427 1.00 0.00 C ATOM 0 H VAL A 108 8.873 3.547 -23.267 1.00 0.00 H new ATOM 0 HA VAL A 108 10.648 5.004 -25.135 1.00 0.00 H new ATOM 0 HB VAL A 108 12.541 4.588 -23.740 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.942 5.732 -21.624 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.151 6.506 -23.018 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.219 5.430 -21.950 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.384 3.276 -21.645 1.00 0.00 H new ATOM 0 HG22 VAL A 108 10.663 2.963 -21.971 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.909 2.296 -23.053 1.00 0.00 H new ATOM 495 N TYR A 109 11.601 2.792 -26.007 1.00 0.00 N ATOM 496 CA TYR A 109 11.866 1.539 -26.703 1.00 0.00 C ATOM 497 C TYR A 109 13.281 1.531 -27.274 1.00 0.00 C ATOM 498 O TYR A 109 13.911 2.581 -27.404 1.00 0.00 O ATOM 499 CB TYR A 109 10.852 1.339 -27.826 1.00 0.00 C ATOM 500 CG TYR A 109 10.945 2.490 -28.795 1.00 0.00 C ATOM 501 CD1 TYR A 109 10.158 3.632 -28.602 1.00 0.00 C ATOM 502 CD2 TYR A 109 11.818 2.418 -29.888 1.00 0.00 C ATOM 503 CE1 TYR A 109 10.243 4.700 -29.501 1.00 0.00 C ATOM 504 CE2 TYR A 109 11.901 3.487 -30.787 1.00 0.00 C ATOM 505 CZ TYR A 109 11.114 4.629 -30.594 1.00 0.00 C ATOM 506 OH TYR A 109 11.198 5.684 -31.482 1.00 0.00 O ATOM 0 H TYR A 109 12.159 3.582 -26.330 1.00 0.00 H new ATOM 0 HA TYR A 109 11.774 0.721 -25.988 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.045 0.398 -28.342 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.845 1.276 -27.414 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.485 3.688 -27.759 1.00 0.00 H new ATOM 0 HD2 TYR A 109 12.426 1.538 -30.037 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.636 5.581 -29.352 1.00 0.00 H new ATOM 0 HE2 TYR A 109 12.573 3.431 -31.631 1.00 0.00 H new ATOM 0 HH TYR A 109 11.851 5.472 -32.182 1.00 0.00 H new ATOM 516 N PHE A 110 13.773 0.344 -27.614 1.00 0.00 N ATOM 517 CA PHE A 110 15.117 0.212 -28.163 1.00 0.00 C ATOM 518 C PHE A 110 15.065 -0.203 -29.626 1.00 0.00 C ATOM 519 O PHE A 110 14.148 -0.909 -30.047 1.00 0.00 O ATOM 520 CB PHE A 110 15.902 -0.831 -27.361 1.00 0.00 C ATOM 521 CG PHE A 110 14.946 -1.835 -26.765 1.00 0.00 C ATOM 522 CD1 PHE A 110 14.224 -1.511 -25.609 1.00 0.00 C ATOM 523 CD2 PHE A 110 14.778 -3.088 -27.364 1.00 0.00 C ATOM 524 CE1 PHE A 110 13.334 -2.438 -25.054 1.00 0.00 C ATOM 525 CE2 PHE A 110 13.891 -4.018 -26.808 1.00 0.00 C ATOM 526 CZ PHE A 110 13.169 -3.692 -25.653 1.00 0.00 C ATOM 0 H PHE A 110 13.264 -0.535 -27.520 1.00 0.00 H new ATOM 0 HA PHE A 110 15.614 1.179 -28.094 1.00 0.00 H new ATOM 0 HB2 PHE A 110 16.620 -1.336 -28.007 1.00 0.00 H new ATOM 0 HB3 PHE A 110 16.472 -0.343 -26.571 1.00 0.00 H new ATOM 0 HD1 PHE A 110 14.354 -0.544 -25.145 1.00 0.00 H new ATOM 0 HD2 PHE A 110 15.333 -3.338 -28.256 1.00 0.00 H new ATOM 0 HE1 PHE A 110 12.775 -2.186 -24.165 1.00 0.00 H new ATOM 0 HE2 PHE A 110 13.764 -4.986 -27.270 1.00 0.00 H new ATOM 0 HZ PHE A 110 12.484 -4.409 -25.224 1.00 0.00 H new ATOM 536 N ILE A 111 16.052 0.244 -30.396 1.00 0.00 N ATOM 537 CA ILE A 111 16.103 -0.083 -31.816 1.00 0.00 C ATOM 538 C ILE A 111 17.402 -0.812 -32.149 1.00 0.00 C ATOM 539 O ILE A 111 18.487 -0.374 -31.766 1.00 0.00 O ATOM 540 CB ILE A 111 16.010 1.195 -32.651 1.00 0.00 C ATOM 541 CG1 ILE A 111 14.860 2.058 -32.130 1.00 0.00 C ATOM 542 CG2 ILE A 111 15.742 0.828 -34.113 1.00 0.00 C ATOM 543 CD1 ILE A 111 14.772 3.344 -32.955 1.00 0.00 C ATOM 0 H ILE A 111 16.820 0.828 -30.065 1.00 0.00 H new ATOM 0 HA ILE A 111 15.260 -0.733 -32.050 1.00 0.00 H new ATOM 0 HB ILE A 111 16.947 1.748 -32.577 1.00 0.00 H new ATOM 0 HG12 ILE A 111 13.921 1.508 -32.193 1.00 0.00 H new ATOM 0 HG13 ILE A 111 15.019 2.298 -31.079 1.00 0.00 H new ATOM 0 HG21 ILE A 111 15.675 1.737 -34.710 1.00 0.00 H new ATOM 0 HG22 ILE A 111 16.556 0.207 -34.487 1.00 0.00 H new ATOM 0 HG23 ILE A 111 14.804 0.278 -34.184 1.00 0.00 H new ATOM 0 HD11 ILE A 111 13.952 3.959 -32.584 1.00 0.00 H new ATOM 0 HD12 ILE A 111 15.708 3.896 -32.869 1.00 0.00 H new ATOM 0 HD13 ILE A 111 14.593 3.094 -34.001 1.00 0.00 H new ATOM 555 N SER A 112 17.284 -1.925 -32.863 1.00 0.00 N ATOM 556 CA SER A 112 18.454 -2.704 -33.247 1.00 0.00 C ATOM 557 C SER A 112 19.122 -2.100 -34.478 1.00 0.00 C ATOM 558 O SER A 112 18.576 -1.196 -35.113 1.00 0.00 O ATOM 559 CB SER A 112 18.053 -4.148 -33.542 1.00 0.00 C ATOM 560 OG SER A 112 18.823 -5.027 -32.732 1.00 0.00 O ATOM 0 H SER A 112 16.395 -2.307 -33.186 1.00 0.00 H new ATOM 0 HA SER A 112 19.161 -2.687 -32.417 1.00 0.00 H new ATOM 0 HB2 SER A 112 16.991 -4.290 -33.344 1.00 0.00 H new ATOM 0 HB3 SER A 112 18.213 -4.373 -34.596 1.00 0.00 H new ATOM 0 HG SER A 112 18.566 -5.954 -32.919 1.00 0.00 H new ATOM 566 N PRO A 113 20.286 -2.577 -34.816 1.00 0.00 N ATOM 567 CA PRO A 113 21.055 -2.072 -35.991 1.00 0.00 C ATOM 568 C PRO A 113 20.238 -2.120 -37.277 1.00 0.00 C ATOM 569 O PRO A 113 20.321 -1.220 -38.113 1.00 0.00 O ATOM 570 CB PRO A 113 22.254 -3.025 -36.077 1.00 0.00 C ATOM 571 CG PRO A 113 22.404 -3.595 -34.708 1.00 0.00 C ATOM 572 CD PRO A 113 21.000 -3.658 -34.117 1.00 0.00 C ATOM 0 HA PRO A 113 21.339 -1.026 -35.872 1.00 0.00 H new ATOM 0 HB2 PRO A 113 22.080 -3.810 -36.813 1.00 0.00 H new ATOM 0 HB3 PRO A 113 23.156 -2.495 -36.383 1.00 0.00 H new ATOM 0 HG2 PRO A 113 22.855 -4.587 -34.747 1.00 0.00 H new ATOM 0 HG3 PRO A 113 23.056 -2.972 -34.096 1.00 0.00 H new ATOM 0 HD2 PRO A 113 20.533 -4.627 -34.293 1.00 0.00 H new ATOM 0 HD3 PRO A 113 21.011 -3.501 -33.038 1.00 0.00 H new ATOM 580 N GLN A 114 19.451 -3.178 -37.435 1.00 0.00 N ATOM 581 CA GLN A 114 18.637 -3.339 -38.636 1.00 0.00 C ATOM 582 C GLN A 114 17.603 -2.224 -38.737 1.00 0.00 C ATOM 583 O GLN A 114 16.968 -2.042 -39.776 1.00 0.00 O ATOM 584 CB GLN A 114 17.923 -4.696 -38.605 1.00 0.00 C ATOM 585 CG GLN A 114 17.432 -5.054 -40.011 1.00 0.00 C ATOM 586 CD GLN A 114 18.623 -5.290 -40.935 1.00 0.00 C ATOM 587 OE1 GLN A 114 19.510 -6.082 -40.613 1.00 0.00 O ATOM 588 NE2 GLN A 114 18.701 -4.645 -42.065 1.00 0.00 N ATOM 0 H GLN A 114 19.359 -3.932 -36.754 1.00 0.00 H new ATOM 0 HA GLN A 114 19.293 -3.291 -39.505 1.00 0.00 H new ATOM 0 HB2 GLN A 114 18.602 -5.467 -38.239 1.00 0.00 H new ATOM 0 HB3 GLN A 114 17.081 -4.659 -37.914 1.00 0.00 H new ATOM 0 HG2 GLN A 114 16.809 -5.948 -39.971 1.00 0.00 H new ATOM 0 HG3 GLN A 114 16.810 -4.250 -40.404 1.00 0.00 H new ATOM 0 HE21 GLN A 114 17.966 -3.990 -42.330 1.00 0.00 H new ATOM 0 HE22 GLN A 114 19.497 -4.796 -42.684 1.00 0.00 H new ATOM 597 N GLY A 115 17.441 -1.475 -37.652 1.00 0.00 N ATOM 598 CA GLY A 115 16.480 -0.378 -37.629 1.00 0.00 C ATOM 599 C GLY A 115 15.108 -0.863 -37.171 1.00 0.00 C ATOM 600 O GLY A 115 14.097 -0.200 -37.397 1.00 0.00 O ATOM 0 H GLY A 115 17.958 -1.606 -36.783 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.834 0.407 -36.960 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.401 0.062 -38.623 1.00 0.00 H new ATOM 604 N LEU A 116 15.082 -2.027 -36.528 1.00 0.00 N ATOM 605 CA LEU A 116 13.827 -2.595 -36.040 1.00 0.00 C ATOM 606 C LEU A 116 13.580 -2.176 -34.596 1.00 0.00 C ATOM 607 O LEU A 116 14.496 -2.174 -33.773 1.00 0.00 O ATOM 608 CB LEU A 116 13.872 -4.118 -36.136 1.00 0.00 C ATOM 609 CG LEU A 116 13.298 -4.560 -37.482 1.00 0.00 C ATOM 610 CD1 LEU A 116 14.013 -3.819 -38.613 1.00 0.00 C ATOM 611 CD2 LEU A 116 13.507 -6.067 -37.651 1.00 0.00 C ATOM 0 H LEU A 116 15.908 -2.592 -36.333 1.00 0.00 H new ATOM 0 HA LEU A 116 13.012 -2.220 -36.659 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.899 -4.470 -36.033 1.00 0.00 H new ATOM 0 HB3 LEU A 116 13.300 -4.562 -35.321 1.00 0.00 H new ATOM 0 HG LEU A 116 12.233 -4.331 -37.515 1.00 0.00 H new ATOM 0 HD11 LEU A 116 13.602 -4.135 -39.572 1.00 0.00 H new ATOM 0 HD12 LEU A 116 13.869 -2.745 -38.493 1.00 0.00 H new ATOM 0 HD13 LEU A 116 15.078 -4.047 -38.581 1.00 0.00 H new ATOM 0 HD21 LEU A 116 13.099 -6.386 -38.610 1.00 0.00 H new ATOM 0 HD22 LEU A 116 14.573 -6.293 -37.617 1.00 0.00 H new ATOM 0 HD23 LEU A 116 12.998 -6.597 -36.846 1.00 0.00 H new ATOM 623 N LYS A 117 12.337 -1.814 -34.294 1.00 0.00 N ATOM 624 CA LYS A 117 11.992 -1.374 -32.948 1.00 0.00 C ATOM 625 C LYS A 117 11.505 -2.545 -32.103 1.00 0.00 C ATOM 626 O LYS A 117 10.740 -3.388 -32.573 1.00 0.00 O ATOM 627 CB LYS A 117 10.888 -0.311 -33.020 1.00 0.00 C ATOM 628 CG LYS A 117 11.306 0.798 -33.989 1.00 0.00 C ATOM 629 CD LYS A 117 10.244 1.898 -33.999 1.00 0.00 C ATOM 630 CE LYS A 117 10.551 2.894 -35.120 1.00 0.00 C ATOM 631 NZ LYS A 117 11.873 3.533 -34.870 1.00 0.00 N ATOM 0 H LYS A 117 11.560 -1.816 -34.955 1.00 0.00 H new ATOM 0 HA LYS A 117 12.885 -0.954 -32.485 1.00 0.00 H new ATOM 0 HB2 LYS A 117 9.954 -0.764 -33.351 1.00 0.00 H new ATOM 0 HB3 LYS A 117 10.706 0.107 -32.030 1.00 0.00 H new ATOM 0 HG2 LYS A 117 12.269 1.211 -33.691 1.00 0.00 H new ATOM 0 HG3 LYS A 117 11.431 0.390 -34.992 1.00 0.00 H new ATOM 0 HD2 LYS A 117 9.256 1.463 -34.146 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.227 2.411 -33.037 1.00 0.00 H new ATOM 0 HE2 LYS A 117 10.559 2.383 -36.083 1.00 0.00 H new ATOM 0 HE3 LYS A 117 9.771 3.654 -35.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 11.978 4.366 -35.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 11.934 3.827 -33.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 12.632 2.853 -35.077 1.00 0.00 H new ATOM 645 N PHE A 118 11.956 -2.593 -30.854 1.00 0.00 N ATOM 646 CA PHE A 118 11.554 -3.660 -29.945 1.00 0.00 C ATOM 647 C PHE A 118 11.261 -3.096 -28.558 1.00 0.00 C ATOM 648 O PHE A 118 12.004 -2.257 -28.050 1.00 0.00 O ATOM 649 CB PHE A 118 12.653 -4.717 -29.852 1.00 0.00 C ATOM 650 CG PHE A 118 12.849 -5.360 -31.204 1.00 0.00 C ATOM 651 CD1 PHE A 118 11.866 -6.213 -31.721 1.00 0.00 C ATOM 652 CD2 PHE A 118 14.013 -5.105 -31.940 1.00 0.00 C ATOM 653 CE1 PHE A 118 12.046 -6.810 -32.973 1.00 0.00 C ATOM 654 CE2 PHE A 118 14.193 -5.704 -33.192 1.00 0.00 C ATOM 655 CZ PHE A 118 13.210 -6.557 -33.708 1.00 0.00 C ATOM 0 H PHE A 118 12.596 -1.910 -30.450 1.00 0.00 H new ATOM 0 HA PHE A 118 10.648 -4.122 -30.336 1.00 0.00 H new ATOM 0 HB2 PHE A 118 13.584 -4.260 -29.516 1.00 0.00 H new ATOM 0 HB3 PHE A 118 12.384 -5.472 -29.114 1.00 0.00 H new ATOM 0 HD1 PHE A 118 10.969 -6.410 -31.153 1.00 0.00 H new ATOM 0 HD2 PHE A 118 14.771 -4.447 -31.542 1.00 0.00 H new ATOM 0 HE1 PHE A 118 11.287 -7.466 -33.373 1.00 0.00 H new ATOM 0 HE2 PHE A 118 15.090 -5.508 -33.760 1.00 0.00 H new ATOM 0 HZ PHE A 118 13.350 -7.020 -34.674 1.00 0.00 H new ATOM 665 N ARG A 119 10.176 -3.562 -27.951 1.00 0.00 N ATOM 666 CA ARG A 119 9.792 -3.094 -26.624 1.00 0.00 C ATOM 667 C ARG A 119 9.290 -4.252 -25.767 1.00 0.00 C ATOM 668 O ARG A 119 8.819 -4.047 -24.649 1.00 0.00 O ATOM 669 CB ARG A 119 8.694 -2.034 -26.743 1.00 0.00 C ATOM 670 CG ARG A 119 8.022 -2.144 -28.115 1.00 0.00 C ATOM 671 CD ARG A 119 6.662 -1.446 -28.075 1.00 0.00 C ATOM 672 NE ARG A 119 5.592 -2.434 -27.980 1.00 0.00 N ATOM 673 CZ ARG A 119 4.427 -2.133 -27.418 1.00 0.00 C ATOM 674 NH1 ARG A 119 4.222 -0.934 -26.946 1.00 0.00 N ATOM 675 NH2 ARG A 119 3.485 -3.031 -27.350 1.00 0.00 N ATOM 0 H ARG A 119 9.550 -4.259 -28.353 1.00 0.00 H new ATOM 0 HA ARG A 119 10.670 -2.659 -26.146 1.00 0.00 H new ATOM 0 HB2 ARG A 119 7.956 -2.170 -25.953 1.00 0.00 H new ATOM 0 HB3 ARG A 119 9.119 -1.039 -26.614 1.00 0.00 H new ATOM 0 HG2 ARG A 119 8.653 -1.689 -28.878 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.897 -3.192 -28.387 1.00 0.00 H new ATOM 0 HD2 ARG A 119 6.618 -0.768 -27.223 1.00 0.00 H new ATOM 0 HD3 ARG A 119 6.529 -0.840 -28.971 1.00 0.00 H new ATOM 0 HE ARG A 119 5.742 -3.372 -28.352 1.00 0.00 H new ATOM 0 HH11 ARG A 119 4.956 -0.229 -27.009 1.00 0.00 H new ATOM 0 HH12 ARG A 119 3.328 -0.702 -26.514 1.00 0.00 H new ATOM 0 HH21 ARG A 119 3.643 -3.965 -27.728 1.00 0.00 H new ATOM 0 HH22 ARG A 119 2.590 -2.800 -26.918 1.00 0.00 H new ATOM 689 N SER A 120 9.397 -5.464 -26.301 1.00 0.00 N ATOM 690 CA SER A 120 8.952 -6.650 -25.575 1.00 0.00 C ATOM 691 C SER A 120 10.051 -7.705 -25.548 1.00 0.00 C ATOM 692 O SER A 120 10.756 -7.908 -26.535 1.00 0.00 O ATOM 693 CB SER A 120 7.700 -7.223 -26.238 1.00 0.00 C ATOM 694 OG SER A 120 7.811 -7.086 -27.645 1.00 0.00 O ATOM 0 H SER A 120 9.784 -5.651 -27.226 1.00 0.00 H new ATOM 0 HA SER A 120 8.720 -6.364 -24.549 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.582 -8.273 -25.971 1.00 0.00 H new ATOM 0 HB3 SER A 120 6.813 -6.701 -25.879 1.00 0.00 H new ATOM 0 HG SER A 120 6.918 -6.987 -28.035 1.00 0.00 H new ATOM 700 N LYS A 121 10.190 -8.375 -24.408 1.00 0.00 N ATOM 701 CA LYS A 121 11.210 -9.404 -24.262 1.00 0.00 C ATOM 702 C LYS A 121 10.929 -10.581 -25.190 1.00 0.00 C ATOM 703 O LYS A 121 11.834 -11.100 -25.845 1.00 0.00 O ATOM 704 CB LYS A 121 11.254 -9.895 -22.813 1.00 0.00 C ATOM 705 CG LYS A 121 12.430 -10.857 -22.631 1.00 0.00 C ATOM 706 CD LYS A 121 12.485 -11.330 -21.178 1.00 0.00 C ATOM 707 CE LYS A 121 13.779 -12.115 -20.944 1.00 0.00 C ATOM 708 NZ LYS A 121 13.799 -13.316 -21.826 1.00 0.00 N ATOM 0 H LYS A 121 9.614 -8.225 -23.580 1.00 0.00 H new ATOM 0 HA LYS A 121 12.173 -8.970 -24.530 1.00 0.00 H new ATOM 0 HB2 LYS A 121 11.356 -9.048 -22.135 1.00 0.00 H new ATOM 0 HB3 LYS A 121 10.319 -10.396 -22.560 1.00 0.00 H new ATOM 0 HG2 LYS A 121 12.320 -11.712 -23.298 1.00 0.00 H new ATOM 0 HG3 LYS A 121 13.363 -10.361 -22.898 1.00 0.00 H new ATOM 0 HD2 LYS A 121 12.439 -10.474 -20.504 1.00 0.00 H new ATOM 0 HD3 LYS A 121 11.622 -11.957 -20.956 1.00 0.00 H new ATOM 0 HE2 LYS A 121 14.643 -11.483 -21.152 1.00 0.00 H new ATOM 0 HE3 LYS A 121 13.850 -12.417 -19.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 14.556 -13.960 -21.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 12.883 -13.805 -21.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 13.972 -13.022 -22.808 1.00 0.00 H new ATOM 722 N SER A 122 9.667 -10.999 -25.238 1.00 0.00 N ATOM 723 CA SER A 122 9.282 -12.126 -26.080 1.00 0.00 C ATOM 724 C SER A 122 9.524 -11.813 -27.550 1.00 0.00 C ATOM 725 O SER A 122 10.237 -12.541 -28.240 1.00 0.00 O ATOM 726 CB SER A 122 7.802 -12.451 -25.864 1.00 0.00 C ATOM 727 OG SER A 122 7.023 -11.295 -26.145 1.00 0.00 O ATOM 0 H SER A 122 8.902 -10.579 -24.710 1.00 0.00 H new ATOM 0 HA SER A 122 9.892 -12.985 -25.803 1.00 0.00 H new ATOM 0 HB2 SER A 122 7.500 -13.274 -26.512 1.00 0.00 H new ATOM 0 HB3 SER A 122 7.635 -12.776 -24.837 1.00 0.00 H new ATOM 0 HG SER A 122 6.074 -11.499 -26.010 1.00 0.00 H new ATOM 733 N SER A 123 8.937 -10.718 -28.021 1.00 0.00 N ATOM 734 CA SER A 123 9.092 -10.323 -29.415 1.00 0.00 C ATOM 735 C SER A 123 10.561 -10.381 -29.822 1.00 0.00 C ATOM 736 O SER A 123 10.899 -10.906 -30.884 1.00 0.00 O ATOM 737 CB SER A 123 8.566 -8.900 -29.612 1.00 0.00 C ATOM 738 OG SER A 123 8.540 -8.596 -31.000 1.00 0.00 O ATOM 0 H SER A 123 8.355 -10.093 -27.463 1.00 0.00 H new ATOM 0 HA SER A 123 8.523 -11.013 -30.038 1.00 0.00 H new ATOM 0 HB2 SER A 123 7.566 -8.808 -29.189 1.00 0.00 H new ATOM 0 HB3 SER A 123 9.202 -8.189 -29.084 1.00 0.00 H new ATOM 0 HG SER A 123 8.202 -7.685 -31.129 1.00 0.00 H new ATOM 744 N LEU A 124 11.429 -9.841 -28.975 1.00 0.00 N ATOM 745 CA LEU A 124 12.858 -9.836 -29.264 1.00 0.00 C ATOM 746 C LEU A 124 13.379 -11.265 -29.408 1.00 0.00 C ATOM 747 O LEU A 124 14.141 -11.568 -30.321 1.00 0.00 O ATOM 748 CB LEU A 124 13.614 -9.131 -28.134 1.00 0.00 C ATOM 749 CG LEU A 124 15.077 -8.942 -28.538 1.00 0.00 C ATOM 750 CD1 LEU A 124 15.164 -7.934 -29.688 1.00 0.00 C ATOM 751 CD2 LEU A 124 15.875 -8.418 -27.344 1.00 0.00 C ATOM 0 H LEU A 124 11.172 -9.404 -28.090 1.00 0.00 H new ATOM 0 HA LEU A 124 13.020 -9.303 -30.201 1.00 0.00 H new ATOM 0 HB2 LEU A 124 13.156 -8.164 -27.924 1.00 0.00 H new ATOM 0 HB3 LEU A 124 13.552 -9.719 -27.218 1.00 0.00 H new ATOM 0 HG LEU A 124 15.489 -9.899 -28.859 1.00 0.00 H new ATOM 0 HD11 LEU A 124 16.207 -7.799 -29.976 1.00 0.00 H new ATOM 0 HD12 LEU A 124 14.597 -8.306 -30.541 1.00 0.00 H new ATOM 0 HD13 LEU A 124 14.750 -6.978 -29.366 1.00 0.00 H new ATOM 0 HD21 LEU A 124 16.917 -8.284 -27.634 1.00 0.00 H new ATOM 0 HD22 LEU A 124 15.462 -7.462 -27.022 1.00 0.00 H new ATOM 0 HD23 LEU A 124 15.815 -9.134 -26.524 1.00 0.00 H new ATOM 763 N ALA A 125 12.955 -12.139 -28.502 1.00 0.00 N ATOM 764 CA ALA A 125 13.382 -13.534 -28.540 1.00 0.00 C ATOM 765 C ALA A 125 12.966 -14.185 -29.853 1.00 0.00 C ATOM 766 O ALA A 125 13.639 -15.087 -30.352 1.00 0.00 O ATOM 767 CB ALA A 125 12.774 -14.301 -27.366 1.00 0.00 C ATOM 0 H ALA A 125 12.320 -11.909 -27.737 1.00 0.00 H new ATOM 0 HA ALA A 125 14.469 -13.564 -28.464 1.00 0.00 H new ATOM 0 HB1 ALA A 125 13.099 -15.341 -27.403 1.00 0.00 H new ATOM 0 HB2 ALA A 125 13.102 -13.852 -26.429 1.00 0.00 H new ATOM 0 HB3 ALA A 125 11.687 -14.258 -27.427 1.00 0.00 H new ATOM 773 N ASN A 126 11.848 -13.722 -30.408 1.00 0.00 N ATOM 774 CA ASN A 126 11.352 -14.264 -31.670 1.00 0.00 C ATOM 775 C ASN A 126 12.104 -13.645 -32.847 1.00 0.00 C ATOM 776 O ASN A 126 12.513 -14.345 -33.770 1.00 0.00 O ATOM 777 CB ASN A 126 9.859 -13.975 -31.810 1.00 0.00 C ATOM 778 CG ASN A 126 9.088 -14.685 -30.702 1.00 0.00 C ATOM 779 OD1 ASN A 126 9.421 -15.811 -30.335 1.00 0.00 O ATOM 780 ND2 ASN A 126 8.069 -14.089 -30.146 1.00 0.00 N ATOM 0 H ASN A 126 11.274 -12.980 -30.008 1.00 0.00 H new ATOM 0 HA ASN A 126 11.515 -15.342 -31.672 1.00 0.00 H new ATOM 0 HB2 ASN A 126 9.681 -12.901 -31.758 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.504 -14.310 -32.785 1.00 0.00 H new ATOM 0 HD21 ASN A 126 7.547 -14.557 -29.405 1.00 0.00 H new ATOM 0 HD22 ASN A 126 7.795 -13.155 -30.452 1.00 0.00 H new ATOM 787 N TYR A 127 12.291 -12.328 -32.800 1.00 0.00 N ATOM 788 CA TYR A 127 13.007 -11.630 -33.859 1.00 0.00 C ATOM 789 C TYR A 127 14.411 -12.199 -34.017 1.00 0.00 C ATOM 790 O TYR A 127 14.856 -12.479 -35.130 1.00 0.00 O ATOM 791 CB TYR A 127 13.090 -10.136 -33.536 1.00 0.00 C ATOM 792 CG TYR A 127 14.132 -9.489 -34.417 1.00 0.00 C ATOM 793 CD1 TYR A 127 13.905 -9.351 -35.789 1.00 0.00 C ATOM 794 CD2 TYR A 127 15.329 -9.026 -33.855 1.00 0.00 C ATOM 795 CE1 TYR A 127 14.873 -8.751 -36.602 1.00 0.00 C ATOM 796 CE2 TYR A 127 16.296 -8.426 -34.667 1.00 0.00 C ATOM 797 CZ TYR A 127 16.069 -8.287 -36.040 1.00 0.00 C ATOM 798 OH TYR A 127 17.024 -7.697 -36.843 1.00 0.00 O ATOM 0 H TYR A 127 11.959 -11.728 -32.045 1.00 0.00 H new ATOM 0 HA TYR A 127 12.464 -11.768 -34.794 1.00 0.00 H new ATOM 0 HB2 TYR A 127 12.120 -9.664 -33.694 1.00 0.00 H new ATOM 0 HB3 TYR A 127 13.346 -9.993 -32.486 1.00 0.00 H new ATOM 0 HD1 TYR A 127 12.982 -9.708 -36.222 1.00 0.00 H new ATOM 0 HD2 TYR A 127 15.505 -9.133 -32.795 1.00 0.00 H new ATOM 0 HE1 TYR A 127 14.698 -8.646 -37.663 1.00 0.00 H new ATOM 0 HE2 TYR A 127 17.219 -8.070 -34.234 1.00 0.00 H new ATOM 0 HH TYR A 127 17.792 -7.431 -36.296 1.00 0.00 H new ATOM 808 N LEU A 128 15.107 -12.362 -32.896 1.00 0.00 N ATOM 809 CA LEU A 128 16.467 -12.894 -32.928 1.00 0.00 C ATOM 810 C LEU A 128 16.477 -14.301 -33.520 1.00 0.00 C ATOM 811 O LEU A 128 17.307 -14.619 -34.370 1.00 0.00 O ATOM 812 CB LEU A 128 17.037 -12.935 -31.509 1.00 0.00 C ATOM 813 CG LEU A 128 17.188 -11.509 -30.976 1.00 0.00 C ATOM 814 CD1 LEU A 128 17.637 -11.552 -29.515 1.00 0.00 C ATOM 815 CD2 LEU A 128 18.227 -10.757 -31.808 1.00 0.00 C ATOM 0 H LEU A 128 14.758 -12.137 -31.964 1.00 0.00 H new ATOM 0 HA LEU A 128 17.080 -12.244 -33.552 1.00 0.00 H new ATOM 0 HB2 LEU A 128 16.378 -13.510 -30.858 1.00 0.00 H new ATOM 0 HB3 LEU A 128 18.004 -13.439 -31.509 1.00 0.00 H new ATOM 0 HG LEU A 128 16.229 -10.995 -31.045 1.00 0.00 H new ATOM 0 HD11 LEU A 128 17.744 -10.535 -29.137 1.00 0.00 H new ATOM 0 HD12 LEU A 128 16.893 -12.083 -28.921 1.00 0.00 H new ATOM 0 HD13 LEU A 128 18.594 -12.068 -29.444 1.00 0.00 H new ATOM 0 HD21 LEU A 128 18.333 -9.741 -31.426 1.00 0.00 H new ATOM 0 HD22 LEU A 128 19.186 -11.271 -31.743 1.00 0.00 H new ATOM 0 HD23 LEU A 128 17.904 -10.722 -32.848 1.00 0.00 H new ATOM 827 N HIS A 129 15.544 -15.134 -33.073 1.00 0.00 N ATOM 828 CA HIS A 129 15.445 -16.498 -33.573 1.00 0.00 C ATOM 829 C HIS A 129 15.130 -16.498 -35.065 1.00 0.00 C ATOM 830 O HIS A 129 15.566 -17.381 -35.803 1.00 0.00 O ATOM 831 CB HIS A 129 14.357 -17.259 -32.815 1.00 0.00 C ATOM 832 CG HIS A 129 14.269 -18.667 -33.340 1.00 0.00 C ATOM 833 ND1 HIS A 129 15.252 -19.611 -33.092 1.00 0.00 N ATOM 834 CD2 HIS A 129 13.322 -19.304 -34.102 1.00 0.00 C ATOM 835 CE1 HIS A 129 14.876 -20.755 -33.694 1.00 0.00 C ATOM 836 NE2 HIS A 129 13.707 -20.621 -34.326 1.00 0.00 N ATOM 0 H HIS A 129 14.849 -14.889 -32.368 1.00 0.00 H new ATOM 0 HA HIS A 129 16.403 -16.993 -33.416 1.00 0.00 H new ATOM 0 HB2 HIS A 129 14.583 -17.271 -31.749 1.00 0.00 H new ATOM 0 HB3 HIS A 129 13.397 -16.755 -32.932 1.00 0.00 H new ATOM 0 HD2 HIS A 129 12.414 -18.851 -34.472 1.00 0.00 H new ATOM 0 HE1 HIS A 129 15.450 -21.670 -33.669 1.00 0.00 H new ATOM 0 HE2 HIS A 129 13.205 -21.332 -34.858 1.00 0.00 H new ATOM 845 N LYS A 130 14.352 -15.510 -35.498 1.00 0.00 N ATOM 846 CA LYS A 130 13.978 -15.404 -36.902 1.00 0.00 C ATOM 847 C LYS A 130 15.202 -15.160 -37.780 1.00 0.00 C ATOM 848 O LYS A 130 15.357 -15.781 -38.830 1.00 0.00 O ATOM 849 CB LYS A 130 12.971 -14.269 -37.092 1.00 0.00 C ATOM 850 CG LYS A 130 12.622 -14.135 -38.574 1.00 0.00 C ATOM 851 CD LYS A 130 11.456 -13.158 -38.739 1.00 0.00 C ATOM 852 CE LYS A 130 11.543 -12.485 -40.110 1.00 0.00 C ATOM 853 NZ LYS A 130 12.482 -11.330 -40.038 1.00 0.00 N ATOM 0 H LYS A 130 13.971 -14.777 -34.900 1.00 0.00 H new ATOM 0 HA LYS A 130 13.523 -16.348 -37.202 1.00 0.00 H new ATOM 0 HB2 LYS A 130 12.070 -14.468 -36.512 1.00 0.00 H new ATOM 0 HB3 LYS A 130 13.388 -13.333 -36.720 1.00 0.00 H new ATOM 0 HG2 LYS A 130 13.489 -13.780 -39.132 1.00 0.00 H new ATOM 0 HG3 LYS A 130 12.355 -15.109 -38.985 1.00 0.00 H new ATOM 0 HD2 LYS A 130 10.508 -13.687 -38.642 1.00 0.00 H new ATOM 0 HD3 LYS A 130 11.484 -12.406 -37.951 1.00 0.00 H new ATOM 0 HE2 LYS A 130 11.886 -13.201 -40.857 1.00 0.00 H new ATOM 0 HE3 LYS A 130 10.556 -12.146 -40.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 12.541 -10.872 -40.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 12.136 -10.644 -39.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 13.425 -11.666 -39.757 1.00 0.00 H new ATOM 867 N ASN A 131 16.064 -14.250 -37.338 1.00 0.00 N ATOM 868 CA ASN A 131 17.267 -13.924 -38.094 1.00 0.00 C ATOM 869 C ASN A 131 18.314 -15.021 -37.932 1.00 0.00 C ATOM 870 O ASN A 131 19.306 -15.058 -38.659 1.00 0.00 O ATOM 871 CB ASN A 131 17.841 -12.590 -37.615 1.00 0.00 C ATOM 872 CG ASN A 131 16.944 -11.444 -38.069 1.00 0.00 C ATOM 873 OD1 ASN A 131 16.127 -11.613 -38.974 1.00 0.00 O ATOM 874 ND2 ASN A 131 17.053 -10.278 -37.494 1.00 0.00 N ATOM 0 H ASN A 131 15.953 -13.729 -36.468 1.00 0.00 H new ATOM 0 HA ASN A 131 17.001 -13.845 -39.148 1.00 0.00 H new ATOM 0 HB2 ASN A 131 17.924 -12.589 -36.528 1.00 0.00 H new ATOM 0 HB3 ASN A 131 18.847 -12.454 -38.011 1.00 0.00 H new ATOM 0 HD21 ASN A 131 16.460 -9.504 -37.794 1.00 0.00 H new ATOM 0 HD22 ASN A 131 17.731 -10.140 -36.744 1.00 0.00 H new ATOM 881 N GLY A 132 18.085 -15.912 -36.975 1.00 0.00 N ATOM 882 CA GLY A 132 19.013 -17.009 -36.728 1.00 0.00 C ATOM 883 C GLY A 132 20.117 -16.581 -35.765 1.00 0.00 C ATOM 884 O GLY A 132 20.871 -17.414 -35.263 1.00 0.00 O ATOM 0 H GLY A 132 17.271 -15.897 -36.361 1.00 0.00 H new ATOM 0 HA2 GLY A 132 18.474 -17.861 -36.314 1.00 0.00 H new ATOM 0 HA3 GLY A 132 19.453 -17.337 -37.670 1.00 0.00 H new ATOM 888 N GLU A 133 20.203 -15.278 -35.512 1.00 0.00 N ATOM 889 CA GLU A 133 21.216 -14.753 -34.603 1.00 0.00 C ATOM 890 C GLU A 133 20.639 -14.599 -33.200 1.00 0.00 C ATOM 891 O GLU A 133 19.822 -13.712 -32.951 1.00 0.00 O ATOM 892 CB GLU A 133 21.717 -13.398 -35.106 1.00 0.00 C ATOM 893 CG GLU A 133 22.887 -12.933 -34.237 1.00 0.00 C ATOM 894 CD GLU A 133 23.428 -11.608 -34.760 1.00 0.00 C ATOM 895 OE1 GLU A 133 22.903 -11.125 -35.749 1.00 0.00 O ATOM 896 OE2 GLU A 133 24.359 -11.094 -34.162 1.00 0.00 O ATOM 0 H GLU A 133 19.589 -14.572 -35.920 1.00 0.00 H new ATOM 0 HA GLU A 133 22.050 -15.454 -34.567 1.00 0.00 H new ATOM 0 HB2 GLU A 133 22.032 -13.478 -36.146 1.00 0.00 H new ATOM 0 HB3 GLU A 133 20.911 -12.665 -35.072 1.00 0.00 H new ATOM 0 HG2 GLU A 133 22.561 -12.820 -33.203 1.00 0.00 H new ATOM 0 HG3 GLU A 133 23.676 -13.685 -34.242 1.00 0.00 H new ATOM 903 N THR A 134 21.068 -15.466 -32.289 1.00 0.00 N ATOM 904 CA THR A 134 20.581 -15.423 -30.915 1.00 0.00 C ATOM 905 C THR A 134 21.703 -15.042 -29.957 1.00 0.00 C ATOM 906 O THR A 134 21.570 -15.184 -28.743 1.00 0.00 O ATOM 907 CB THR A 134 20.008 -16.785 -30.520 1.00 0.00 C ATOM 908 OG1 THR A 134 21.052 -17.749 -30.496 1.00 0.00 O ATOM 909 CG2 THR A 134 18.949 -17.210 -31.540 1.00 0.00 C ATOM 0 H THR A 134 21.748 -16.203 -32.476 1.00 0.00 H new ATOM 0 HA THR A 134 19.797 -14.668 -30.853 1.00 0.00 H new ATOM 0 HB THR A 134 19.554 -16.714 -29.532 1.00 0.00 H new ATOM 0 HG1 THR A 134 20.686 -18.622 -30.241 1.00 0.00 H new ATOM 0 HG21 THR A 134 18.541 -18.181 -31.258 1.00 0.00 H new ATOM 0 HG22 THR A 134 18.147 -16.472 -31.561 1.00 0.00 H new ATOM 0 HG23 THR A 134 19.403 -17.281 -32.528 1.00 0.00 H new ATOM 917 N SER A 135 22.815 -14.564 -30.515 1.00 0.00 N ATOM 918 CA SER A 135 23.956 -14.170 -29.696 1.00 0.00 C ATOM 919 C SER A 135 23.563 -13.042 -28.743 1.00 0.00 C ATOM 920 O SER A 135 23.867 -13.095 -27.552 1.00 0.00 O ATOM 921 CB SER A 135 25.101 -13.706 -30.595 1.00 0.00 C ATOM 922 OG SER A 135 25.579 -14.808 -31.355 1.00 0.00 O ATOM 0 H SER A 135 22.948 -14.442 -31.519 1.00 0.00 H new ATOM 0 HA SER A 135 24.279 -15.030 -29.110 1.00 0.00 H new ATOM 0 HB2 SER A 135 24.758 -12.913 -31.259 1.00 0.00 H new ATOM 0 HB3 SER A 135 25.907 -13.290 -29.991 1.00 0.00 H new ATOM 0 HG SER A 135 26.313 -14.513 -31.934 1.00 0.00 H new ATOM 928 N LEU A 136 22.886 -12.031 -29.277 1.00 0.00 N ATOM 929 CA LEU A 136 22.450 -10.904 -28.458 1.00 0.00 C ATOM 930 C LEU A 136 21.335 -11.337 -27.514 1.00 0.00 C ATOM 931 O LEU A 136 20.417 -12.056 -27.910 1.00 0.00 O ATOM 932 CB LEU A 136 21.951 -9.770 -29.355 1.00 0.00 C ATOM 933 CG LEU A 136 23.094 -9.286 -30.251 1.00 0.00 C ATOM 934 CD1 LEU A 136 22.579 -8.200 -31.195 1.00 0.00 C ATOM 935 CD2 LEU A 136 24.215 -8.712 -29.382 1.00 0.00 C ATOM 0 H LEU A 136 22.629 -11.968 -30.262 1.00 0.00 H new ATOM 0 HA LEU A 136 23.297 -10.553 -27.869 1.00 0.00 H new ATOM 0 HB2 LEU A 136 21.117 -10.116 -29.966 1.00 0.00 H new ATOM 0 HB3 LEU A 136 21.579 -8.947 -28.745 1.00 0.00 H new ATOM 0 HG LEU A 136 23.476 -10.124 -30.834 1.00 0.00 H new ATOM 0 HD11 LEU A 136 23.393 -7.856 -31.833 1.00 0.00 H new ATOM 0 HD12 LEU A 136 21.780 -8.606 -31.815 1.00 0.00 H new ATOM 0 HD13 LEU A 136 22.196 -7.363 -30.612 1.00 0.00 H new ATOM 0 HD21 LEU A 136 25.029 -8.367 -30.019 1.00 0.00 H new ATOM 0 HD22 LEU A 136 23.831 -7.875 -28.799 1.00 0.00 H new ATOM 0 HD23 LEU A 136 24.584 -9.485 -28.708 1.00 0.00 H new ATOM 947 N LYS A 137 21.421 -10.893 -26.265 1.00 0.00 N ATOM 948 CA LYS A 137 20.418 -11.240 -25.274 1.00 0.00 C ATOM 949 C LYS A 137 19.560 -10.028 -24.922 1.00 0.00 C ATOM 950 O LYS A 137 20.020 -8.889 -25.001 1.00 0.00 O ATOM 951 CB LYS A 137 21.093 -11.772 -24.004 1.00 0.00 C ATOM 952 CG LYS A 137 21.800 -13.093 -24.316 1.00 0.00 C ATOM 953 CD LYS A 137 22.459 -13.633 -23.047 1.00 0.00 C ATOM 954 CE LYS A 137 23.085 -15.000 -23.338 1.00 0.00 C ATOM 955 NZ LYS A 137 24.164 -14.845 -24.355 1.00 0.00 N ATOM 0 H LYS A 137 22.172 -10.295 -25.919 1.00 0.00 H new ATOM 0 HA LYS A 137 19.777 -12.013 -25.698 1.00 0.00 H new ATOM 0 HB2 LYS A 137 21.811 -11.043 -23.629 1.00 0.00 H new ATOM 0 HB3 LYS A 137 20.351 -11.921 -23.220 1.00 0.00 H new ATOM 0 HG2 LYS A 137 21.084 -13.818 -24.703 1.00 0.00 H new ATOM 0 HG3 LYS A 137 22.551 -12.941 -25.092 1.00 0.00 H new ATOM 0 HD2 LYS A 137 23.223 -12.938 -22.697 1.00 0.00 H new ATOM 0 HD3 LYS A 137 21.720 -13.722 -22.250 1.00 0.00 H new ATOM 0 HE2 LYS A 137 23.492 -15.428 -22.422 1.00 0.00 H new ATOM 0 HE3 LYS A 137 22.324 -15.691 -23.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 24.773 -15.688 -24.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 23.739 -14.735 -25.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 24.733 -14.004 -24.132 1.00 0.00 H new ATOM 969 N PRO A 138 18.340 -10.257 -24.514 1.00 0.00 N ATOM 970 CA PRO A 138 17.410 -9.170 -24.095 1.00 0.00 C ATOM 971 C PRO A 138 18.059 -8.228 -23.080 1.00 0.00 C ATOM 972 O PRO A 138 17.681 -7.062 -22.969 1.00 0.00 O ATOM 973 CB PRO A 138 16.237 -9.922 -23.463 1.00 0.00 C ATOM 974 CG PRO A 138 16.250 -11.275 -24.087 1.00 0.00 C ATOM 975 CD PRO A 138 17.700 -11.582 -24.433 1.00 0.00 C ATOM 0 HA PRO A 138 17.114 -8.535 -24.930 1.00 0.00 H new ATOM 0 HB2 PRO A 138 16.350 -9.988 -22.381 1.00 0.00 H new ATOM 0 HB3 PRO A 138 15.294 -9.410 -23.654 1.00 0.00 H new ATOM 0 HG2 PRO A 138 15.849 -12.021 -23.401 1.00 0.00 H new ATOM 0 HG3 PRO A 138 15.626 -11.295 -24.981 1.00 0.00 H new ATOM 0 HD2 PRO A 138 18.168 -12.205 -23.671 1.00 0.00 H new ATOM 0 HD3 PRO A 138 17.779 -12.121 -25.377 1.00 0.00 H new ATOM 983 N GLU A 139 19.040 -8.741 -22.345 1.00 0.00 N ATOM 984 CA GLU A 139 19.743 -7.936 -21.352 1.00 0.00 C ATOM 985 C GLU A 139 20.693 -6.955 -22.034 1.00 0.00 C ATOM 986 O GLU A 139 21.338 -6.141 -21.371 1.00 0.00 O ATOM 987 CB GLU A 139 20.533 -8.844 -20.405 1.00 0.00 C ATOM 988 CG GLU A 139 19.562 -9.582 -19.480 1.00 0.00 C ATOM 989 CD GLU A 139 18.900 -10.732 -20.231 1.00 0.00 C ATOM 990 OE1 GLU A 139 19.304 -10.996 -21.350 1.00 0.00 O ATOM 991 OE2 GLU A 139 17.993 -11.331 -19.675 1.00 0.00 O ATOM 0 H GLU A 139 19.365 -9.705 -22.417 1.00 0.00 H new ATOM 0 HA GLU A 139 19.006 -7.372 -20.780 1.00 0.00 H new ATOM 0 HB2 GLU A 139 21.122 -9.560 -20.978 1.00 0.00 H new ATOM 0 HB3 GLU A 139 21.234 -8.252 -19.817 1.00 0.00 H new ATOM 0 HG2 GLU A 139 20.095 -9.964 -18.610 1.00 0.00 H new ATOM 0 HG3 GLU A 139 18.803 -8.892 -19.111 1.00 0.00 H new ATOM 998 N ASP A 140 20.781 -7.046 -23.358 1.00 0.00 N ATOM 999 CA ASP A 140 21.658 -6.161 -24.116 1.00 0.00 C ATOM 1000 C ASP A 140 21.086 -4.748 -24.168 1.00 0.00 C ATOM 1001 O ASP A 140 21.829 -3.767 -24.195 1.00 0.00 O ATOM 1002 CB ASP A 140 21.832 -6.697 -25.537 1.00 0.00 C ATOM 1003 CG ASP A 140 22.642 -7.989 -25.511 1.00 0.00 C ATOM 1004 OD1 ASP A 140 23.275 -8.248 -24.500 1.00 0.00 O ATOM 1005 OD2 ASP A 140 22.613 -8.702 -26.499 1.00 0.00 O ATOM 0 H ASP A 140 20.261 -7.717 -23.923 1.00 0.00 H new ATOM 0 HA ASP A 140 22.627 -6.126 -23.617 1.00 0.00 H new ATOM 0 HB2 ASP A 140 20.856 -6.879 -25.988 1.00 0.00 H new ATOM 0 HB3 ASP A 140 22.336 -5.954 -26.156 1.00 0.00 H new ATOM 1010 N PHE A 141 19.758 -4.651 -24.181 1.00 0.00 N ATOM 1011 CA PHE A 141 19.100 -3.352 -24.228 1.00 0.00 C ATOM 1012 C PHE A 141 18.579 -2.969 -22.846 1.00 0.00 C ATOM 1013 O PHE A 141 18.161 -3.830 -22.071 1.00 0.00 O ATOM 1014 CB PHE A 141 17.933 -3.390 -25.218 1.00 0.00 C ATOM 1015 CG PHE A 141 16.765 -4.112 -24.590 1.00 0.00 C ATOM 1016 CD1 PHE A 141 15.870 -3.410 -23.773 1.00 0.00 C ATOM 1017 CD2 PHE A 141 16.572 -5.476 -24.831 1.00 0.00 C ATOM 1018 CE1 PHE A 141 14.785 -4.075 -23.191 1.00 0.00 C ATOM 1019 CE2 PHE A 141 15.484 -6.141 -24.249 1.00 0.00 C ATOM 1020 CZ PHE A 141 14.591 -5.441 -23.430 1.00 0.00 C ATOM 0 H PHE A 141 19.124 -5.450 -24.160 1.00 0.00 H new ATOM 0 HA PHE A 141 19.828 -2.609 -24.553 1.00 0.00 H new ATOM 0 HB2 PHE A 141 17.642 -2.376 -25.493 1.00 0.00 H new ATOM 0 HB3 PHE A 141 18.236 -3.895 -26.135 1.00 0.00 H new ATOM 0 HD1 PHE A 141 16.017 -2.355 -23.592 1.00 0.00 H new ATOM 0 HD2 PHE A 141 17.260 -6.016 -25.464 1.00 0.00 H new ATOM 0 HE1 PHE A 141 14.097 -3.535 -22.557 1.00 0.00 H new ATOM 0 HE2 PHE A 141 15.335 -7.195 -24.433 1.00 0.00 H new ATOM 0 HZ PHE A 141 13.753 -5.954 -22.982 1.00 0.00 H new ATOM 1030 N ASP A 142 18.608 -1.674 -22.547 1.00 0.00 N ATOM 1031 CA ASP A 142 18.134 -1.186 -21.255 1.00 0.00 C ATOM 1032 C ASP A 142 16.994 -0.192 -21.446 1.00 0.00 C ATOM 1033 O ASP A 142 17.214 0.948 -21.854 1.00 0.00 O ATOM 1034 CB ASP A 142 19.280 -0.517 -20.498 1.00 0.00 C ATOM 1035 CG ASP A 142 18.849 -0.212 -19.066 1.00 0.00 C ATOM 1036 OD1 ASP A 142 18.309 -1.102 -18.430 1.00 0.00 O ATOM 1037 OD2 ASP A 142 19.067 0.906 -18.628 1.00 0.00 O ATOM 0 H ASP A 142 18.952 -0.948 -23.176 1.00 0.00 H new ATOM 0 HA ASP A 142 17.767 -2.034 -20.677 1.00 0.00 H new ATOM 0 HB2 ASP A 142 20.154 -1.169 -20.493 1.00 0.00 H new ATOM 0 HB3 ASP A 142 19.572 0.404 -21.003 1.00 0.00 H new ATOM 1042 N PHE A 143 15.775 -0.631 -21.146 1.00 0.00 N ATOM 1043 CA PHE A 143 14.608 0.231 -21.289 1.00 0.00 C ATOM 1044 C PHE A 143 14.690 1.408 -20.321 1.00 0.00 C ATOM 1045 O PHE A 143 14.103 2.464 -20.559 1.00 0.00 O ATOM 1046 CB PHE A 143 13.332 -0.567 -21.013 1.00 0.00 C ATOM 1047 CG PHE A 143 13.162 -0.750 -19.524 1.00 0.00 C ATOM 1048 CD1 PHE A 143 13.780 -1.824 -18.875 1.00 0.00 C ATOM 1049 CD2 PHE A 143 12.385 0.157 -18.793 1.00 0.00 C ATOM 1050 CE1 PHE A 143 13.623 -1.992 -17.494 1.00 0.00 C ATOM 1051 CE2 PHE A 143 12.227 -0.009 -17.412 1.00 0.00 C ATOM 1052 CZ PHE A 143 12.846 -1.085 -16.763 1.00 0.00 C ATOM 0 H PHE A 143 15.571 -1.571 -20.805 1.00 0.00 H new ATOM 0 HA PHE A 143 14.585 0.613 -22.310 1.00 0.00 H new ATOM 0 HB2 PHE A 143 12.468 -0.046 -21.427 1.00 0.00 H new ATOM 0 HB3 PHE A 143 13.384 -1.538 -21.505 1.00 0.00 H new ATOM 0 HD1 PHE A 143 14.378 -2.524 -19.439 1.00 0.00 H new ATOM 0 HD2 PHE A 143 11.907 0.985 -19.295 1.00 0.00 H new ATOM 0 HE1 PHE A 143 14.101 -2.821 -16.993 1.00 0.00 H new ATOM 0 HE2 PHE A 143 11.629 0.691 -16.848 1.00 0.00 H new ATOM 0 HZ PHE A 143 12.724 -1.215 -15.698 1.00 0.00 H new