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 Single : A 88 CYS SG : rot 22:sc= 0.677 USER MOD Single : A 95 LYS NZ :NH3+ 148:sc= -0.2 (180deg=-1.07) USER MOD Single : A 96 GLN :FLIP amide:sc= -2.89! C(o=-5!,f=-2.9!) USER MOD Single : A 101 LYS NZ :NH3+ 149:sc= -0.2 (180deg=-0.862) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= -2.23! USER MOD Single : A 112 SER OG : rot -154:sc= 2.21 USER MOD Single : A 114 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.22) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -176:sc= -0.483 (180deg=-0.522) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= -0.215 USER MOD Single : A 126 ASN : amide:sc= -1.25 K(o=-1.3,f=-3.2!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc= -0.0952 K(o=-0.095,f=-0.72) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= -0.166 X(o=-0.17,f=0.27) USER MOD Single : A 134 THR OG1 : rot -67:sc= 0.567 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 87 23.781 0.150 -25.279 1.00 0.00 N ATOM 135 CA PRO A 87 24.672 -0.857 -25.916 1.00 0.00 C ATOM 136 C PRO A 87 25.119 -0.422 -27.311 1.00 0.00 C ATOM 137 O PRO A 87 24.321 0.077 -28.105 1.00 0.00 O ATOM 138 CB PRO A 87 23.790 -2.105 -25.998 1.00 0.00 C ATOM 139 CG PRO A 87 22.788 -1.957 -24.901 1.00 0.00 C ATOM 140 CD PRO A 87 22.568 -0.467 -24.718 1.00 0.00 C ATOM 0 HA PRO A 87 25.593 -1.009 -25.354 1.00 0.00 H new ATOM 0 HB2 PRO A 87 23.301 -2.177 -26.969 1.00 0.00 H new ATOM 0 HB3 PRO A 87 24.381 -3.012 -25.871 1.00 0.00 H new ATOM 0 HG2 PRO A 87 21.855 -2.458 -25.157 1.00 0.00 H new ATOM 0 HG3 PRO A 87 23.151 -2.412 -23.979 1.00 0.00 H new ATOM 0 HD2 PRO A 87 21.672 -0.130 -25.240 1.00 0.00 H new ATOM 0 HD3 PRO A 87 22.440 -0.210 -23.667 1.00 0.00 H new ATOM 148 N CYS A 88 26.404 -0.608 -27.596 1.00 0.00 N ATOM 149 CA CYS A 88 26.951 -0.219 -28.889 1.00 0.00 C ATOM 150 C CYS A 88 26.313 -1.034 -30.011 1.00 0.00 C ATOM 151 O CYS A 88 26.090 -2.233 -29.867 1.00 0.00 O ATOM 152 CB CYS A 88 28.466 -0.435 -28.898 1.00 0.00 C ATOM 153 SG CYS A 88 28.826 -2.206 -28.806 1.00 0.00 S ATOM 0 H CYS A 88 27.080 -1.022 -26.954 1.00 0.00 H new ATOM 0 HA CYS A 88 26.731 0.836 -29.053 1.00 0.00 H new ATOM 0 HB2 CYS A 88 28.899 -0.012 -29.805 1.00 0.00 H new ATOM 0 HB3 CYS A 88 28.923 0.084 -28.055 1.00 0.00 H new ATOM 0 HG CYS A 88 27.795 -2.881 -29.221 1.00 0.00 H new ATOM 159 N GLY A 89 26.033 -0.371 -31.127 1.00 0.00 N ATOM 160 CA GLY A 89 25.435 -1.037 -32.275 1.00 0.00 C ATOM 161 C GLY A 89 23.917 -0.912 -32.249 1.00 0.00 C ATOM 162 O GLY A 89 23.262 -0.980 -33.286 1.00 0.00 O ATOM 0 H GLY A 89 26.210 0.625 -31.260 1.00 0.00 H new ATOM 0 HA2 GLY A 89 25.824 -0.602 -33.196 1.00 0.00 H new ATOM 0 HA3 GLY A 89 25.717 -2.090 -32.277 1.00 0.00 H new ATOM 166 N TRP A 90 23.365 -0.731 -31.054 1.00 0.00 N ATOM 167 CA TRP A 90 21.918 -0.600 -30.897 1.00 0.00 C ATOM 168 C TRP A 90 21.533 0.865 -30.740 1.00 0.00 C ATOM 169 O TRP A 90 22.379 1.707 -30.446 1.00 0.00 O ATOM 170 CB TRP A 90 21.444 -1.390 -29.677 1.00 0.00 C ATOM 171 CG TRP A 90 21.367 -2.844 -30.018 1.00 0.00 C ATOM 172 CD1 TRP A 90 21.999 -3.441 -31.057 1.00 0.00 C ATOM 173 CD2 TRP A 90 20.620 -3.896 -29.344 1.00 0.00 C ATOM 174 NE1 TRP A 90 21.692 -4.782 -31.061 1.00 0.00 N ATOM 175 CE2 TRP A 90 20.845 -5.116 -30.025 1.00 0.00 C ATOM 176 CE3 TRP A 90 19.777 -3.913 -28.218 1.00 0.00 C ATOM 177 CZ2 TRP A 90 20.257 -6.310 -29.604 1.00 0.00 C ATOM 178 CZ3 TRP A 90 19.184 -5.113 -27.792 1.00 0.00 C ATOM 179 CH2 TRP A 90 19.424 -6.309 -28.484 1.00 0.00 C ATOM 0 H TRP A 90 23.893 -0.672 -30.183 1.00 0.00 H new ATOM 0 HA TRP A 90 21.437 -1.000 -31.790 1.00 0.00 H new ATOM 0 HB2 TRP A 90 22.130 -1.238 -28.844 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.467 -1.030 -29.355 1.00 0.00 H new ATOM 0 HD1 TRP A 90 22.641 -2.944 -31.769 1.00 0.00 H new ATOM 0 HE1 TRP A 90 22.048 -5.448 -31.747 1.00 0.00 H new ATOM 0 HE3 TRP A 90 19.585 -2.998 -27.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 20.445 -7.228 -30.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 18.539 -5.115 -26.926 1.00 0.00 H new ATOM 0 HH2 TRP A 90 18.965 -7.228 -28.151 1.00 0.00 H new ATOM 190 N GLU A 91 20.251 1.159 -30.942 1.00 0.00 N ATOM 191 CA GLU A 91 19.763 2.529 -30.820 1.00 0.00 C ATOM 192 C GLU A 91 18.700 2.619 -29.730 1.00 0.00 C ATOM 193 O GLU A 91 17.883 1.712 -29.572 1.00 0.00 O ATOM 194 CB GLU A 91 19.174 2.995 -32.150 1.00 0.00 C ATOM 195 CG GLU A 91 18.737 4.456 -32.030 1.00 0.00 C ATOM 196 CD GLU A 91 18.236 4.963 -33.378 1.00 0.00 C ATOM 197 OE1 GLU A 91 18.190 4.173 -34.307 1.00 0.00 O ATOM 198 OE2 GLU A 91 17.910 6.136 -33.465 1.00 0.00 O ATOM 0 H GLU A 91 19.537 0.473 -31.189 1.00 0.00 H new ATOM 0 HA GLU A 91 20.601 3.172 -30.552 1.00 0.00 H new ATOM 0 HB2 GLU A 91 19.913 2.889 -32.944 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.323 2.371 -32.422 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.950 4.548 -31.282 1.00 0.00 H new ATOM 0 HG3 GLU A 91 19.573 5.067 -31.690 1.00 0.00 H new ATOM 205 N ARG A 92 18.719 3.719 -28.981 1.00 0.00 N ATOM 206 CA ARG A 92 17.750 3.924 -27.911 1.00 0.00 C ATOM 207 C ARG A 92 16.918 5.172 -28.176 1.00 0.00 C ATOM 208 O ARG A 92 17.457 6.243 -28.447 1.00 0.00 O ATOM 209 CB ARG A 92 18.474 4.065 -26.570 1.00 0.00 C ATOM 210 CG ARG A 92 17.448 4.290 -25.457 1.00 0.00 C ATOM 211 CD ARG A 92 18.144 4.212 -24.098 1.00 0.00 C ATOM 212 NE ARG A 92 18.613 2.853 -23.850 1.00 0.00 N ATOM 213 CZ ARG A 92 19.319 2.557 -22.763 1.00 0.00 C ATOM 214 NH1 ARG A 92 19.605 3.491 -21.898 1.00 0.00 N ATOM 215 NH2 ARG A 92 19.727 1.333 -22.564 1.00 0.00 N ATOM 0 H ARG A 92 19.391 4.477 -29.095 1.00 0.00 H new ATOM 0 HA ARG A 92 17.087 3.060 -27.876 1.00 0.00 H new ATOM 0 HB2 ARG A 92 19.059 3.168 -26.364 1.00 0.00 H new ATOM 0 HB3 ARG A 92 19.174 4.900 -26.608 1.00 0.00 H new ATOM 0 HG2 ARG A 92 16.972 5.263 -25.578 1.00 0.00 H new ATOM 0 HG3 ARG A 92 16.660 3.540 -25.517 1.00 0.00 H new ATOM 0 HD2 ARG A 92 18.985 4.905 -24.071 1.00 0.00 H new ATOM 0 HD3 ARG A 92 17.455 4.516 -23.310 1.00 0.00 H new ATOM 0 HE ARG A 92 18.396 2.117 -24.522 1.00 0.00 H new ATOM 0 HH11 ARG A 92 19.287 4.447 -22.056 1.00 0.00 H new ATOM 0 HH12 ARG A 92 20.147 3.265 -21.064 1.00 0.00 H new ATOM 0 HH21 ARG A 92 19.504 0.604 -23.242 1.00 0.00 H new ATOM 0 HH22 ARG A 92 20.269 1.105 -21.730 1.00 0.00 H new ATOM 229 N VAL A 93 15.599 5.023 -28.096 1.00 0.00 N ATOM 230 CA VAL A 93 14.692 6.140 -28.331 1.00 0.00 C ATOM 231 C VAL A 93 13.713 6.302 -27.176 1.00 0.00 C ATOM 232 O VAL A 93 13.085 5.335 -26.751 1.00 0.00 O ATOM 233 CB VAL A 93 13.917 5.916 -29.630 1.00 0.00 C ATOM 234 CG1 VAL A 93 12.775 6.928 -29.726 1.00 0.00 C ATOM 235 CG2 VAL A 93 14.858 6.097 -30.829 1.00 0.00 C ATOM 0 H VAL A 93 15.136 4.142 -27.871 1.00 0.00 H new ATOM 0 HA VAL A 93 15.287 7.050 -28.410 1.00 0.00 H new ATOM 0 HB VAL A 93 13.510 4.905 -29.636 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.223 6.767 -30.652 1.00 0.00 H new ATOM 0 HG12 VAL A 93 12.103 6.800 -28.877 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.183 7.939 -29.717 1.00 0.00 H new ATOM 0 HG21 VAL A 93 14.304 5.937 -31.754 1.00 0.00 H new ATOM 0 HG22 VAL A 93 15.267 7.107 -30.821 1.00 0.00 H new ATOM 0 HG23 VAL A 93 15.672 5.375 -30.765 1.00 0.00 H new ATOM 245 N VAL A 94 13.585 7.532 -26.681 1.00 0.00 N ATOM 246 CA VAL A 94 12.665 7.809 -25.587 1.00 0.00 C ATOM 247 C VAL A 94 11.745 8.967 -25.950 1.00 0.00 C ATOM 248 O VAL A 94 12.206 10.077 -26.217 1.00 0.00 O ATOM 249 CB VAL A 94 13.449 8.151 -24.318 1.00 0.00 C ATOM 250 CG1 VAL A 94 14.420 7.015 -23.996 1.00 0.00 C ATOM 251 CG2 VAL A 94 14.233 9.446 -24.541 1.00 0.00 C ATOM 0 H VAL A 94 14.103 8.344 -27.018 1.00 0.00 H new ATOM 0 HA VAL A 94 12.060 6.920 -25.407 1.00 0.00 H new ATOM 0 HB VAL A 94 12.757 8.282 -23.486 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.978 7.259 -23.092 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.861 6.092 -23.840 1.00 0.00 H new ATOM 0 HG13 VAL A 94 15.114 6.883 -24.826 1.00 0.00 H new ATOM 0 HG21 VAL A 94 14.793 9.692 -23.639 1.00 0.00 H new ATOM 0 HG22 VAL A 94 14.925 9.314 -25.373 1.00 0.00 H new ATOM 0 HG23 VAL A 94 13.540 10.256 -24.771 1.00 0.00 H new ATOM 261 N LYS A 95 10.442 8.702 -25.954 1.00 0.00 N ATOM 262 CA LYS A 95 9.463 9.733 -26.288 1.00 0.00 C ATOM 263 C LYS A 95 8.364 9.797 -25.231 1.00 0.00 C ATOM 264 O LYS A 95 7.777 8.776 -24.869 1.00 0.00 O ATOM 265 CB LYS A 95 8.839 9.434 -27.652 1.00 0.00 C ATOM 266 CG LYS A 95 9.933 9.421 -28.725 1.00 0.00 C ATOM 267 CD LYS A 95 9.313 9.109 -30.089 1.00 0.00 C ATOM 268 CE LYS A 95 8.762 10.394 -30.711 1.00 0.00 C ATOM 269 NZ LYS A 95 9.886 11.340 -30.966 1.00 0.00 N ATOM 0 H LYS A 95 10.041 7.791 -25.732 1.00 0.00 H new ATOM 0 HA LYS A 95 9.975 10.695 -26.321 1.00 0.00 H new ATOM 0 HB2 LYS A 95 8.329 8.471 -27.627 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.088 10.187 -27.893 1.00 0.00 H new ATOM 0 HG2 LYS A 95 10.437 10.387 -28.756 1.00 0.00 H new ATOM 0 HG3 LYS A 95 10.689 8.675 -28.479 1.00 0.00 H new ATOM 0 HD2 LYS A 95 10.061 8.667 -30.747 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.514 8.376 -29.977 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.244 10.167 -31.643 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.032 10.851 -30.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.674 11.913 -31.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 10.007 11.965 -30.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.762 10.803 -31.125 1.00 0.00 H new ATOM 283 N GLN A 96 8.092 11.002 -24.746 1.00 0.00 N ATOM 284 CA GLN A 96 7.060 11.191 -23.733 1.00 0.00 C ATOM 285 C GLN A 96 5.730 11.560 -24.388 1.00 0.00 C ATOM 286 O GLN A 96 5.704 12.271 -25.388 1.00 0.00 O ATOM 287 CB GLN A 96 7.474 12.295 -22.758 1.00 0.00 C ATOM 288 CG GLN A 96 8.777 11.897 -22.059 1.00 0.00 C ATOM 289 CD GLN A 96 9.193 12.985 -21.074 1.00 0.00 C ATOM 290 OE1 GLN A 96 8.694 12.986 -19.869 1.00 0.00 O flip ATOM 291 NE2 GLN A 96 9.990 13.860 -21.413 1.00 0.00 N flip ATOM 0 H GLN A 96 8.567 11.857 -25.035 1.00 0.00 H new ATOM 0 HA GLN A 96 6.939 10.255 -23.187 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.608 13.235 -23.293 1.00 0.00 H new ATOM 0 HB3 GLN A 96 6.688 12.457 -22.020 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.644 10.951 -21.534 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.564 11.743 -22.798 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.379 13.858 -22.356 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.261 14.587 -20.751 1.00 0.00 H new ATOM 300 N ARG A 97 4.640 11.066 -23.816 1.00 0.00 N ATOM 301 CA ARG A 97 3.311 11.353 -24.349 1.00 0.00 C ATOM 302 C ARG A 97 2.833 12.726 -23.888 1.00 0.00 C ATOM 303 O ARG A 97 2.686 12.971 -22.691 1.00 0.00 O ATOM 304 CB ARG A 97 2.317 10.283 -23.894 1.00 0.00 C ATOM 305 CG ARG A 97 1.972 9.373 -25.073 1.00 0.00 C ATOM 306 CD ARG A 97 1.001 8.287 -24.608 1.00 0.00 C ATOM 307 NE ARG A 97 1.710 7.266 -23.844 1.00 0.00 N ATOM 308 CZ ARG A 97 1.053 6.282 -23.241 1.00 0.00 C ATOM 309 NH1 ARG A 97 -0.249 6.218 -23.323 1.00 0.00 N ATOM 310 NH2 ARG A 97 1.709 5.379 -22.564 1.00 0.00 N ATOM 0 H ARG A 97 4.647 10.469 -22.989 1.00 0.00 H new ATOM 0 HA ARG A 97 3.371 11.348 -25.437 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.745 9.696 -23.081 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.413 10.753 -23.507 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.525 9.956 -25.878 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.878 8.919 -25.474 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.216 8.730 -23.995 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.513 7.832 -25.470 1.00 0.00 H new ATOM 0 HE ARG A 97 2.727 7.309 -23.772 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.762 6.924 -23.851 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.753 5.462 -22.859 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.726 5.429 -22.498 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.205 4.623 -22.101 1.00 0.00 H new ATOM 324 N LEU A 98 2.600 13.618 -24.846 1.00 0.00 N ATOM 325 CA LEU A 98 2.144 14.964 -24.524 1.00 0.00 C ATOM 326 C LEU A 98 0.625 15.049 -24.595 1.00 0.00 C ATOM 327 O LEU A 98 0.031 16.033 -24.148 1.00 0.00 O ATOM 328 CB LEU A 98 2.758 15.973 -25.500 1.00 0.00 C ATOM 329 CG LEU A 98 4.190 16.301 -25.067 1.00 0.00 C ATOM 330 CD1 LEU A 98 4.167 17.050 -23.732 1.00 0.00 C ATOM 331 CD2 LEU A 98 4.981 15.000 -24.904 1.00 0.00 C ATOM 0 H LEU A 98 2.718 13.435 -25.842 1.00 0.00 H new ATOM 0 HA LEU A 98 2.462 15.199 -23.508 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.758 15.564 -26.510 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.157 16.882 -25.524 1.00 0.00 H new ATOM 0 HG LEU A 98 4.662 16.927 -25.825 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.188 17.282 -23.427 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.603 17.976 -23.844 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.694 16.427 -22.973 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.001 15.230 -24.596 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.505 14.377 -24.147 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.001 14.465 -25.853 1.00 0.00 H new ATOM 343 N PHE A 99 0.003 14.021 -25.161 1.00 0.00 N ATOM 344 CA PHE A 99 -1.448 14.000 -25.290 1.00 0.00 C ATOM 345 C PHE A 99 -2.010 12.680 -24.777 1.00 0.00 C ATOM 346 O PHE A 99 -1.436 11.616 -25.021 1.00 0.00 O ATOM 347 CB PHE A 99 -1.836 14.180 -26.760 1.00 0.00 C ATOM 348 CG PHE A 99 -1.148 15.403 -27.317 1.00 0.00 C ATOM 349 CD1 PHE A 99 -1.752 16.662 -27.215 1.00 0.00 C ATOM 350 CD2 PHE A 99 0.102 15.275 -27.938 1.00 0.00 C ATOM 351 CE1 PHE A 99 -1.107 17.792 -27.733 1.00 0.00 C ATOM 352 CE2 PHE A 99 0.747 16.404 -28.455 1.00 0.00 C ATOM 353 CZ PHE A 99 0.143 17.662 -28.354 1.00 0.00 C ATOM 0 H PHE A 99 0.476 13.198 -25.535 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.863 14.815 -24.696 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.552 13.297 -27.333 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.917 14.285 -26.851 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.715 16.762 -26.737 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.568 14.304 -28.018 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.573 18.763 -27.654 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.711 16.304 -28.932 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.640 18.533 -28.755 1.00 0.00 H new ATOM 363 N GLY A 100 -3.133 12.753 -24.071 1.00 0.00 N ATOM 364 CA GLY A 100 -3.770 11.557 -23.531 1.00 0.00 C ATOM 365 C GLY A 100 -3.983 11.686 -22.027 1.00 0.00 C ATOM 366 O GLY A 100 -3.202 12.332 -21.330 1.00 0.00 O ATOM 0 H GLY A 100 -3.620 13.624 -23.860 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.728 11.396 -24.025 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.152 10.684 -23.741 1.00 0.00 H new ATOM 370 N LYS A 101 -5.047 11.062 -21.532 1.00 0.00 N ATOM 371 CA LYS A 101 -5.356 11.108 -20.110 1.00 0.00 C ATOM 372 C LYS A 101 -4.242 10.454 -19.301 1.00 0.00 C ATOM 373 O LYS A 101 -3.877 10.935 -18.226 1.00 0.00 O ATOM 374 CB LYS A 101 -6.678 10.389 -19.837 1.00 0.00 C ATOM 375 CG LYS A 101 -7.093 10.618 -18.382 1.00 0.00 C ATOM 376 CD LYS A 101 -8.435 9.931 -18.115 1.00 0.00 C ATOM 377 CE LYS A 101 -8.192 8.484 -17.680 1.00 0.00 C ATOM 378 NZ LYS A 101 -7.516 8.475 -16.352 1.00 0.00 N ATOM 0 H LYS A 101 -5.706 10.521 -22.092 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.444 12.152 -19.810 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.451 10.760 -20.510 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.571 9.322 -20.032 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -6.331 10.223 -17.710 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.174 11.686 -18.180 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.982 10.468 -17.340 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.052 9.953 -19.014 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.138 7.946 -17.623 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.576 7.969 -18.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.801 7.626 -15.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -6.485 8.469 -16.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.790 9.324 -15.817 1.00 0.00 H new ATOM 392 N THR A 102 -3.707 9.351 -19.820 1.00 0.00 N ATOM 393 CA THR A 102 -2.641 8.636 -19.129 1.00 0.00 C ATOM 394 C THR A 102 -1.301 9.321 -19.360 1.00 0.00 C ATOM 395 O THR A 102 -0.326 9.036 -18.665 1.00 0.00 O ATOM 396 CB THR A 102 -2.569 7.194 -19.634 1.00 0.00 C ATOM 397 OG1 THR A 102 -2.283 7.195 -21.026 1.00 0.00 O ATOM 398 CG2 THR A 102 -3.909 6.497 -19.388 1.00 0.00 C ATOM 0 H THR A 102 -3.992 8.938 -20.708 1.00 0.00 H new ATOM 0 HA THR A 102 -2.860 8.639 -18.061 1.00 0.00 H new ATOM 0 HB THR A 102 -1.782 6.661 -19.101 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.235 6.272 -21.351 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.856 5.470 -19.748 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.128 6.496 -18.320 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.698 7.028 -19.920 1.00 0.00 H new ATOM 406 N ALA A 103 -1.263 10.225 -20.335 1.00 0.00 N ATOM 407 CA ALA A 103 -0.033 10.948 -20.647 1.00 0.00 C ATOM 408 C ALA A 103 0.743 11.262 -19.371 1.00 0.00 C ATOM 409 O ALA A 103 0.157 11.384 -18.296 1.00 0.00 O ATOM 410 CB ALA A 103 -0.371 12.256 -21.369 1.00 0.00 C ATOM 0 H ALA A 103 -2.062 10.473 -20.918 1.00 0.00 H new ATOM 0 HA ALA A 103 0.584 10.320 -21.290 1.00 0.00 H new ATOM 0 HB1 ALA A 103 0.549 12.792 -21.600 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.903 12.034 -22.294 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.000 12.874 -20.728 1.00 0.00 H new ATOM 416 N GLY A 104 2.057 11.371 -19.500 1.00 0.00 N ATOM 417 CA GLY A 104 2.911 11.653 -18.349 1.00 0.00 C ATOM 418 C GLY A 104 3.911 10.523 -18.117 1.00 0.00 C ATOM 419 O GLY A 104 4.922 10.707 -17.442 1.00 0.00 O ATOM 0 H GLY A 104 2.556 11.270 -20.384 1.00 0.00 H new ATOM 0 HA2 GLY A 104 3.446 12.589 -18.510 1.00 0.00 H new ATOM 0 HA3 GLY A 104 2.295 11.786 -17.459 1.00 0.00 H new ATOM 423 N ARG A 105 3.628 9.360 -18.692 1.00 0.00 N ATOM 424 CA ARG A 105 4.520 8.214 -18.557 1.00 0.00 C ATOM 425 C ARG A 105 5.663 8.306 -19.560 1.00 0.00 C ATOM 426 O ARG A 105 5.629 9.124 -20.480 1.00 0.00 O ATOM 427 CB ARG A 105 3.740 6.916 -18.784 1.00 0.00 C ATOM 428 CG ARG A 105 3.161 6.426 -17.455 1.00 0.00 C ATOM 429 CD ARG A 105 4.117 5.410 -16.828 1.00 0.00 C ATOM 430 NE ARG A 105 5.419 6.018 -16.585 1.00 0.00 N ATOM 431 CZ ARG A 105 5.653 6.724 -15.485 1.00 0.00 C ATOM 432 NH1 ARG A 105 4.708 6.883 -14.600 1.00 0.00 N ATOM 433 NH2 ARG A 105 6.827 7.260 -15.290 1.00 0.00 N ATOM 0 H ARG A 105 2.794 9.186 -19.253 1.00 0.00 H new ATOM 0 HA ARG A 105 4.935 8.216 -17.549 1.00 0.00 H new ATOM 0 HB2 ARG A 105 2.937 7.083 -19.502 1.00 0.00 H new ATOM 0 HB3 ARG A 105 4.395 6.156 -19.209 1.00 0.00 H new ATOM 0 HG2 ARG A 105 3.012 7.267 -16.778 1.00 0.00 H new ATOM 0 HG3 ARG A 105 2.184 5.971 -17.617 1.00 0.00 H new ATOM 0 HD2 ARG A 105 3.701 5.040 -15.891 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.228 4.550 -17.489 1.00 0.00 H new ATOM 0 HE ARG A 105 6.164 5.899 -17.272 1.00 0.00 H new ATOM 0 HH11 ARG A 105 3.790 6.465 -14.753 1.00 0.00 H new ATOM 0 HH12 ARG A 105 4.887 7.425 -13.755 1.00 0.00 H new ATOM 0 HH21 ARG A 105 7.565 7.137 -15.983 1.00 0.00 H new ATOM 0 HH22 ARG A 105 7.006 7.802 -14.445 1.00 0.00 H new ATOM 447 N PHE A 106 6.674 7.465 -19.376 1.00 0.00 N ATOM 448 CA PHE A 106 7.826 7.459 -20.274 1.00 0.00 C ATOM 449 C PHE A 106 7.790 6.234 -21.182 1.00 0.00 C ATOM 450 O PHE A 106 7.665 5.105 -20.709 1.00 0.00 O ATOM 451 CB PHE A 106 9.122 7.458 -19.459 1.00 0.00 C ATOM 452 CG PHE A 106 9.323 8.815 -18.828 1.00 0.00 C ATOM 453 CD1 PHE A 106 8.712 9.121 -17.607 1.00 0.00 C ATOM 454 CD2 PHE A 106 10.124 9.769 -19.467 1.00 0.00 C ATOM 455 CE1 PHE A 106 8.901 10.380 -17.026 1.00 0.00 C ATOM 456 CE2 PHE A 106 10.314 11.028 -18.886 1.00 0.00 C ATOM 457 CZ PHE A 106 9.701 11.334 -17.665 1.00 0.00 C ATOM 0 H PHE A 106 6.721 6.783 -18.619 1.00 0.00 H new ATOM 0 HA PHE A 106 7.788 8.356 -20.893 1.00 0.00 H new ATOM 0 HB2 PHE A 106 9.078 6.690 -18.687 1.00 0.00 H new ATOM 0 HB3 PHE A 106 9.968 7.216 -20.102 1.00 0.00 H new ATOM 0 HD1 PHE A 106 8.094 8.386 -17.113 1.00 0.00 H new ATOM 0 HD2 PHE A 106 10.596 9.533 -20.409 1.00 0.00 H new ATOM 0 HE1 PHE A 106 8.429 10.616 -16.084 1.00 0.00 H new ATOM 0 HE2 PHE A 106 10.933 11.763 -19.379 1.00 0.00 H new ATOM 0 HZ PHE A 106 9.845 12.306 -17.217 1.00 0.00 H new ATOM 467 N ASP A 107 7.914 6.470 -22.487 1.00 0.00 N ATOM 468 CA ASP A 107 7.908 5.377 -23.455 1.00 0.00 C ATOM 469 C ASP A 107 9.276 5.249 -24.117 1.00 0.00 C ATOM 470 O ASP A 107 9.780 6.203 -24.712 1.00 0.00 O ATOM 471 CB ASP A 107 6.837 5.628 -24.519 1.00 0.00 C ATOM 472 CG ASP A 107 5.482 5.843 -23.852 1.00 0.00 C ATOM 473 OD1 ASP A 107 4.787 4.863 -23.642 1.00 0.00 O ATOM 474 OD2 ASP A 107 5.159 6.983 -23.559 1.00 0.00 O ATOM 0 H ASP A 107 8.019 7.399 -22.895 1.00 0.00 H new ATOM 0 HA ASP A 107 7.682 4.448 -22.932 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.102 6.502 -25.115 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.785 4.780 -25.202 1.00 0.00 H new ATOM 479 N VAL A 108 9.870 4.065 -24.008 1.00 0.00 N ATOM 480 CA VAL A 108 11.183 3.827 -24.594 1.00 0.00 C ATOM 481 C VAL A 108 11.230 2.471 -25.291 1.00 0.00 C ATOM 482 O VAL A 108 10.561 1.527 -24.873 1.00 0.00 O ATOM 483 CB VAL A 108 12.249 3.873 -23.498 1.00 0.00 C ATOM 484 CG1 VAL A 108 12.058 5.130 -22.644 1.00 0.00 C ATOM 485 CG2 VAL A 108 12.126 2.634 -22.614 1.00 0.00 C ATOM 0 H VAL A 108 9.467 3.263 -23.524 1.00 0.00 H new ATOM 0 HA VAL A 108 11.377 4.604 -25.333 1.00 0.00 H new ATOM 0 HB VAL A 108 13.237 3.896 -23.958 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.819 5.159 -21.864 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.149 6.015 -23.274 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.069 5.112 -22.185 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.886 2.667 -21.833 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.137 2.610 -22.157 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.267 1.739 -23.220 1.00 0.00 H new ATOM 495 N TYR A 109 12.033 2.380 -26.345 1.00 0.00 N ATOM 496 CA TYR A 109 12.173 1.131 -27.083 1.00 0.00 C ATOM 497 C TYR A 109 13.514 1.082 -27.804 1.00 0.00 C ATOM 498 O TYR A 109 14.109 2.120 -28.096 1.00 0.00 O ATOM 499 CB TYR A 109 11.033 0.987 -28.093 1.00 0.00 C ATOM 500 CG TYR A 109 10.866 2.282 -28.849 1.00 0.00 C ATOM 501 CD1 TYR A 109 11.599 2.511 -30.020 1.00 0.00 C ATOM 502 CD2 TYR A 109 9.979 3.257 -28.378 1.00 0.00 C ATOM 503 CE1 TYR A 109 11.440 3.714 -30.718 1.00 0.00 C ATOM 504 CE2 TYR A 109 9.822 4.459 -29.077 1.00 0.00 C ATOM 505 CZ TYR A 109 10.553 4.687 -30.247 1.00 0.00 C ATOM 506 OH TYR A 109 10.398 5.873 -30.938 1.00 0.00 O ATOM 0 H TYR A 109 12.594 3.152 -26.706 1.00 0.00 H new ATOM 0 HA TYR A 109 12.129 0.305 -26.374 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.247 0.174 -28.786 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.107 0.732 -27.578 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.286 1.761 -30.384 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.415 3.081 -27.474 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.004 3.891 -31.622 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.137 5.210 -28.713 1.00 0.00 H new ATOM 0 HH TYR A 109 9.744 6.438 -30.476 1.00 0.00 H new ATOM 516 N PHE A 110 13.982 -0.127 -28.091 1.00 0.00 N ATOM 517 CA PHE A 110 15.261 -0.296 -28.775 1.00 0.00 C ATOM 518 C PHE A 110 15.039 -0.623 -30.245 1.00 0.00 C ATOM 519 O PHE A 110 14.201 -1.460 -30.585 1.00 0.00 O ATOM 520 CB PHE A 110 16.058 -1.425 -28.118 1.00 0.00 C ATOM 521 CG PHE A 110 16.442 -1.022 -26.715 1.00 0.00 C ATOM 522 CD1 PHE A 110 15.580 -1.302 -25.645 1.00 0.00 C ATOM 523 CD2 PHE A 110 17.658 -0.370 -26.480 1.00 0.00 C ATOM 524 CE1 PHE A 110 15.936 -0.928 -24.345 1.00 0.00 C ATOM 525 CE2 PHE A 110 18.013 0.003 -25.180 1.00 0.00 C ATOM 526 CZ PHE A 110 17.154 -0.275 -24.112 1.00 0.00 C ATOM 0 H PHE A 110 13.502 -0.998 -27.864 1.00 0.00 H new ATOM 0 HA PHE A 110 15.819 0.637 -28.699 1.00 0.00 H new ATOM 0 HB2 PHE A 110 15.463 -2.338 -28.095 1.00 0.00 H new ATOM 0 HB3 PHE A 110 16.952 -1.641 -28.703 1.00 0.00 H new ATOM 0 HD1 PHE A 110 14.642 -1.806 -25.825 1.00 0.00 H new ATOM 0 HD2 PHE A 110 18.323 -0.155 -27.304 1.00 0.00 H new ATOM 0 HE1 PHE A 110 15.272 -1.142 -23.521 1.00 0.00 H new ATOM 0 HE2 PHE A 110 18.952 0.506 -25.000 1.00 0.00 H new ATOM 0 HZ PHE A 110 17.429 0.013 -23.108 1.00 0.00 H new ATOM 536 N ILE A 111 15.791 0.047 -31.113 1.00 0.00 N ATOM 537 CA ILE A 111 15.664 -0.177 -32.547 1.00 0.00 C ATOM 538 C ILE A 111 16.938 -0.803 -33.100 1.00 0.00 C ATOM 539 O ILE A 111 18.026 -0.239 -32.975 1.00 0.00 O ATOM 540 CB ILE A 111 15.395 1.151 -33.263 1.00 0.00 C ATOM 541 CG1 ILE A 111 14.215 1.860 -32.595 1.00 0.00 C ATOM 542 CG2 ILE A 111 15.053 0.883 -34.733 1.00 0.00 C ATOM 543 CD1 ILE A 111 14.031 3.245 -33.220 1.00 0.00 C ATOM 0 H ILE A 111 16.489 0.743 -30.851 1.00 0.00 H new ATOM 0 HA ILE A 111 14.830 -0.857 -32.719 1.00 0.00 H new ATOM 0 HB ILE A 111 16.284 1.779 -33.203 1.00 0.00 H new ATOM 0 HG12 ILE A 111 13.306 1.271 -32.717 1.00 0.00 H new ATOM 0 HG13 ILE A 111 14.392 1.954 -31.524 1.00 0.00 H new ATOM 0 HG21 ILE A 111 14.862 1.829 -35.240 1.00 0.00 H new ATOM 0 HG22 ILE A 111 15.889 0.375 -35.214 1.00 0.00 H new ATOM 0 HG23 ILE A 111 14.165 0.254 -34.791 1.00 0.00 H new ATOM 0 HD11 ILE A 111 13.190 3.750 -32.744 1.00 0.00 H new ATOM 0 HD12 ILE A 111 14.937 3.833 -33.075 1.00 0.00 H new ATOM 0 HD13 ILE A 111 13.834 3.139 -34.287 1.00 0.00 H new ATOM 555 N SER A 112 16.794 -1.970 -33.723 1.00 0.00 N ATOM 556 CA SER A 112 17.937 -2.660 -34.300 1.00 0.00 C ATOM 557 C SER A 112 18.573 -1.818 -35.402 1.00 0.00 C ATOM 558 O SER A 112 17.898 -1.033 -36.067 1.00 0.00 O ATOM 559 CB SER A 112 17.501 -4.010 -34.878 1.00 0.00 C ATOM 560 OG SER A 112 17.247 -4.913 -33.812 1.00 0.00 O ATOM 0 H SER A 112 15.903 -2.452 -33.839 1.00 0.00 H new ATOM 0 HA SER A 112 18.671 -2.823 -33.511 1.00 0.00 H new ATOM 0 HB2 SER A 112 16.606 -3.886 -35.487 1.00 0.00 H new ATOM 0 HB3 SER A 112 18.278 -4.408 -35.531 1.00 0.00 H new ATOM 0 HG SER A 112 17.376 -5.833 -34.125 1.00 0.00 H new ATOM 566 N PRO A 113 19.855 -1.964 -35.597 1.00 0.00 N ATOM 567 CA PRO A 113 20.609 -1.197 -36.631 1.00 0.00 C ATOM 568 C PRO A 113 20.114 -1.490 -38.042 1.00 0.00 C ATOM 569 O PRO A 113 20.486 -0.808 -38.997 1.00 0.00 O ATOM 570 CB PRO A 113 22.061 -1.659 -36.446 1.00 0.00 C ATOM 571 CG PRO A 113 21.973 -2.961 -35.729 1.00 0.00 C ATOM 572 CD PRO A 113 20.736 -2.882 -34.856 1.00 0.00 C ATOM 0 HA PRO A 113 20.485 -0.121 -36.511 1.00 0.00 H new ATOM 0 HB2 PRO A 113 22.563 -1.773 -37.407 1.00 0.00 H new ATOM 0 HB3 PRO A 113 22.635 -0.932 -35.871 1.00 0.00 H new ATOM 0 HG2 PRO A 113 21.899 -3.789 -36.434 1.00 0.00 H new ATOM 0 HG3 PRO A 113 22.864 -3.134 -35.126 1.00 0.00 H new ATOM 0 HD2 PRO A 113 20.275 -3.861 -34.722 1.00 0.00 H new ATOM 0 HD3 PRO A 113 20.969 -2.501 -33.862 1.00 0.00 H new ATOM 580 N GLN A 114 19.279 -2.514 -38.168 1.00 0.00 N ATOM 581 CA GLN A 114 18.742 -2.893 -39.472 1.00 0.00 C ATOM 582 C GLN A 114 17.568 -1.994 -39.843 1.00 0.00 C ATOM 583 O GLN A 114 17.016 -2.099 -40.938 1.00 0.00 O ATOM 584 CB GLN A 114 18.276 -4.351 -39.439 1.00 0.00 C ATOM 585 CG GLN A 114 19.455 -5.260 -39.081 1.00 0.00 C ATOM 586 CD GLN A 114 20.553 -5.130 -40.132 1.00 0.00 C ATOM 587 OE1 GLN A 114 20.309 -5.358 -41.316 1.00 0.00 O ATOM 588 NE2 GLN A 114 21.753 -4.770 -39.766 1.00 0.00 N ATOM 0 H GLN A 114 18.960 -3.093 -37.391 1.00 0.00 H new ATOM 0 HA GLN A 114 19.528 -2.778 -40.218 1.00 0.00 H new ATOM 0 HB2 GLN A 114 17.476 -4.471 -38.708 1.00 0.00 H new ATOM 0 HB3 GLN A 114 17.867 -4.634 -40.409 1.00 0.00 H new ATOM 0 HG2 GLN A 114 19.846 -4.992 -38.100 1.00 0.00 H new ATOM 0 HG3 GLN A 114 19.121 -6.296 -39.019 1.00 0.00 H new ATOM 0 HE21 GLN A 114 21.952 -4.582 -38.783 1.00 0.00 H new ATOM 0 HE22 GLN A 114 22.492 -4.677 -40.463 1.00 0.00 H new ATOM 597 N GLY A 115 17.196 -1.105 -38.927 1.00 0.00 N ATOM 598 CA GLY A 115 16.087 -0.189 -39.171 1.00 0.00 C ATOM 599 C GLY A 115 14.781 -0.755 -38.628 1.00 0.00 C ATOM 600 O GLY A 115 13.737 -0.105 -38.691 1.00 0.00 O ATOM 0 H GLY A 115 17.642 -1.000 -38.016 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.294 0.772 -38.700 1.00 0.00 H new ATOM 0 HA3 GLY A 115 15.991 -0.006 -40.241 1.00 0.00 H new ATOM 604 N LEU A 116 14.845 -1.973 -38.096 1.00 0.00 N ATOM 605 CA LEU A 116 13.661 -2.616 -37.544 1.00 0.00 C ATOM 606 C LEU A 116 13.350 -2.071 -36.157 1.00 0.00 C ATOM 607 O LEU A 116 14.251 -1.686 -35.420 1.00 0.00 O ATOM 608 CB LEU A 116 13.880 -4.129 -37.463 1.00 0.00 C ATOM 609 CG LEU A 116 13.580 -4.765 -38.822 1.00 0.00 C ATOM 610 CD1 LEU A 116 12.080 -4.667 -39.120 1.00 0.00 C ATOM 611 CD2 LEU A 116 14.364 -4.027 -39.913 1.00 0.00 C ATOM 0 H LEU A 116 15.698 -2.529 -38.037 1.00 0.00 H new ATOM 0 HA LEU A 116 12.817 -2.404 -38.200 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.908 -4.343 -37.169 1.00 0.00 H new ATOM 0 HB3 LEU A 116 13.234 -4.560 -36.698 1.00 0.00 H new ATOM 0 HG LEU A 116 13.876 -5.814 -38.802 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.871 -5.121 -40.089 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.520 -5.191 -38.345 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.780 -3.619 -39.138 1.00 0.00 H new ATOM 0 HD21 LEU A 116 14.152 -4.479 -40.882 1.00 0.00 H new ATOM 0 HD22 LEU A 116 14.067 -2.978 -39.928 1.00 0.00 H new ATOM 0 HD23 LEU A 116 15.432 -4.099 -39.705 1.00 0.00 H new ATOM 623 N LYS A 117 12.066 -2.041 -35.812 1.00 0.00 N ATOM 624 CA LYS A 117 11.642 -1.532 -34.511 1.00 0.00 C ATOM 625 C LYS A 117 11.148 -2.668 -33.623 1.00 0.00 C ATOM 626 O LYS A 117 10.466 -3.581 -34.089 1.00 0.00 O ATOM 627 CB LYS A 117 10.530 -0.501 -34.691 1.00 0.00 C ATOM 628 CG LYS A 117 10.330 0.267 -33.382 1.00 0.00 C ATOM 629 CD LYS A 117 8.837 0.526 -33.164 1.00 0.00 C ATOM 630 CE LYS A 117 8.638 1.302 -31.861 1.00 0.00 C ATOM 631 NZ LYS A 117 7.573 0.646 -31.051 1.00 0.00 N ATOM 0 H LYS A 117 11.305 -2.361 -36.411 1.00 0.00 H new ATOM 0 HA LYS A 117 12.500 -1.061 -34.031 1.00 0.00 H new ATOM 0 HB2 LYS A 117 10.786 0.189 -35.495 1.00 0.00 H new ATOM 0 HB3 LYS A 117 9.603 -0.997 -34.980 1.00 0.00 H new ATOM 0 HG2 LYS A 117 10.736 -0.304 -32.547 1.00 0.00 H new ATOM 0 HG3 LYS A 117 10.873 1.212 -33.416 1.00 0.00 H new ATOM 0 HD2 LYS A 117 8.429 1.091 -34.002 1.00 0.00 H new ATOM 0 HD3 LYS A 117 8.295 -0.419 -33.123 1.00 0.00 H new ATOM 0 HE2 LYS A 117 9.571 1.334 -31.298 1.00 0.00 H new ATOM 0 HE3 LYS A 117 8.361 2.334 -32.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 7.437 1.173 -30.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 6.683 0.638 -31.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 7.855 -0.331 -30.833 1.00 0.00 H new ATOM 645 N PHE A 118 11.498 -2.606 -32.342 1.00 0.00 N ATOM 646 CA PHE A 118 11.078 -3.633 -31.394 1.00 0.00 C ATOM 647 C PHE A 118 10.762 -3.014 -30.036 1.00 0.00 C ATOM 648 O PHE A 118 11.403 -2.049 -29.621 1.00 0.00 O ATOM 649 CB PHE A 118 12.176 -4.683 -31.241 1.00 0.00 C ATOM 650 CG PHE A 118 12.466 -5.310 -32.584 1.00 0.00 C ATOM 651 CD1 PHE A 118 11.477 -6.061 -33.233 1.00 0.00 C ATOM 652 CD2 PHE A 118 13.719 -5.139 -33.183 1.00 0.00 C ATOM 653 CE1 PHE A 118 11.742 -6.643 -34.477 1.00 0.00 C ATOM 654 CE2 PHE A 118 13.984 -5.722 -34.426 1.00 0.00 C ATOM 655 CZ PHE A 118 12.996 -6.473 -35.074 1.00 0.00 C ATOM 0 H PHE A 118 12.067 -1.862 -31.938 1.00 0.00 H new ATOM 0 HA PHE A 118 10.176 -4.109 -31.778 1.00 0.00 H new ATOM 0 HB2 PHE A 118 13.079 -4.224 -30.840 1.00 0.00 H new ATOM 0 HB3 PHE A 118 11.865 -5.449 -30.530 1.00 0.00 H new ATOM 0 HD1 PHE A 118 10.509 -6.191 -32.772 1.00 0.00 H new ATOM 0 HD2 PHE A 118 14.481 -4.557 -32.686 1.00 0.00 H new ATOM 0 HE1 PHE A 118 10.980 -7.223 -34.976 1.00 0.00 H new ATOM 0 HE2 PHE A 118 14.952 -5.593 -34.887 1.00 0.00 H new ATOM 0 HZ PHE A 118 13.202 -6.921 -36.035 1.00 0.00 H new ATOM 665 N ARG A 119 9.778 -3.580 -29.345 1.00 0.00 N ATOM 666 CA ARG A 119 9.394 -3.075 -28.030 1.00 0.00 C ATOM 667 C ARG A 119 8.842 -4.207 -27.167 1.00 0.00 C ATOM 668 O ARG A 119 8.104 -3.968 -26.212 1.00 0.00 O ATOM 669 CB ARG A 119 8.340 -1.980 -28.178 1.00 0.00 C ATOM 670 CG ARG A 119 7.093 -2.562 -28.856 1.00 0.00 C ATOM 671 CD ARG A 119 5.909 -2.528 -27.882 1.00 0.00 C ATOM 672 NE ARG A 119 4.919 -3.525 -28.257 1.00 0.00 N ATOM 673 CZ ARG A 119 3.649 -3.406 -27.883 1.00 0.00 C ATOM 674 NH1 ARG A 119 3.277 -2.383 -27.169 1.00 0.00 N ATOM 675 NH2 ARG A 119 2.783 -4.320 -28.222 1.00 0.00 N ATOM 0 H ARG A 119 9.236 -4.381 -29.669 1.00 0.00 H new ATOM 0 HA ARG A 119 10.278 -2.660 -27.546 1.00 0.00 H new ATOM 0 HB2 ARG A 119 8.080 -1.575 -27.200 1.00 0.00 H new ATOM 0 HB3 ARG A 119 8.737 -1.155 -28.769 1.00 0.00 H new ATOM 0 HG2 ARG A 119 6.855 -1.990 -29.753 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.285 -3.587 -29.174 1.00 0.00 H new ATOM 0 HD2 ARG A 119 6.259 -2.717 -26.867 1.00 0.00 H new ATOM 0 HD3 ARG A 119 5.456 -1.537 -27.884 1.00 0.00 H new ATOM 0 HE ARG A 119 5.204 -4.329 -28.816 1.00 0.00 H new ATOM 0 HH11 ARG A 119 3.959 -1.675 -26.898 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.303 -2.289 -26.881 1.00 0.00 H new ATOM 0 HH21 ARG A 119 3.080 -5.125 -28.773 1.00 0.00 H new ATOM 0 HH22 ARG A 119 1.808 -4.230 -27.936 1.00 0.00 H new ATOM 689 N SER A 120 9.204 -5.438 -27.508 1.00 0.00 N ATOM 690 CA SER A 120 8.732 -6.598 -26.759 1.00 0.00 C ATOM 691 C SER A 120 9.848 -7.625 -26.596 1.00 0.00 C ATOM 692 O SER A 120 10.669 -7.809 -27.494 1.00 0.00 O ATOM 693 CB SER A 120 7.549 -7.239 -27.485 1.00 0.00 C ATOM 694 OG SER A 120 7.094 -8.363 -26.742 1.00 0.00 O ATOM 0 H SER A 120 9.818 -5.659 -28.292 1.00 0.00 H new ATOM 0 HA SER A 120 8.416 -6.264 -25.771 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.743 -6.515 -27.601 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.847 -7.547 -28.487 1.00 0.00 H new ATOM 0 HG SER A 120 6.334 -8.775 -27.204 1.00 0.00 H new ATOM 700 N LYS A 121 9.871 -8.288 -25.445 1.00 0.00 N ATOM 701 CA LYS A 121 10.894 -9.291 -25.177 1.00 0.00 C ATOM 702 C LYS A 121 10.832 -10.406 -26.217 1.00 0.00 C ATOM 703 O LYS A 121 11.855 -10.814 -26.762 1.00 0.00 O ATOM 704 CB LYS A 121 10.691 -9.882 -23.778 1.00 0.00 C ATOM 705 CG LYS A 121 11.710 -10.997 -23.541 1.00 0.00 C ATOM 706 CD LYS A 121 11.011 -12.355 -23.622 1.00 0.00 C ATOM 707 CE LYS A 121 12.059 -13.470 -23.641 1.00 0.00 C ATOM 708 NZ LYS A 121 12.792 -13.441 -24.937 1.00 0.00 N ATOM 0 H LYS A 121 9.200 -8.151 -24.689 1.00 0.00 H new ATOM 0 HA LYS A 121 11.872 -8.812 -25.230 1.00 0.00 H new ATOM 0 HB2 LYS A 121 10.806 -9.104 -23.023 1.00 0.00 H new ATOM 0 HB3 LYS A 121 9.679 -10.274 -23.681 1.00 0.00 H new ATOM 0 HG2 LYS A 121 12.505 -10.941 -24.284 1.00 0.00 H new ATOM 0 HG3 LYS A 121 12.178 -10.875 -22.564 1.00 0.00 H new ATOM 0 HD2 LYS A 121 10.344 -12.484 -22.770 1.00 0.00 H new ATOM 0 HD3 LYS A 121 10.395 -12.406 -24.520 1.00 0.00 H new ATOM 0 HE2 LYS A 121 12.757 -13.342 -22.813 1.00 0.00 H new ATOM 0 HE3 LYS A 121 11.578 -14.438 -23.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 13.457 -14.240 -24.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 12.113 -13.515 -25.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 13.319 -12.548 -25.018 1.00 0.00 H new ATOM 722 N SER A 122 9.627 -10.897 -26.483 1.00 0.00 N ATOM 723 CA SER A 122 9.455 -11.969 -27.459 1.00 0.00 C ATOM 724 C SER A 122 9.952 -11.521 -28.831 1.00 0.00 C ATOM 725 O SER A 122 10.767 -12.195 -29.458 1.00 0.00 O ATOM 726 CB SER A 122 7.978 -12.348 -27.553 1.00 0.00 C ATOM 727 OG SER A 122 7.815 -13.368 -28.528 1.00 0.00 O ATOM 0 H SER A 122 8.764 -10.576 -26.044 1.00 0.00 H new ATOM 0 HA SER A 122 10.035 -12.833 -27.136 1.00 0.00 H new ATOM 0 HB2 SER A 122 7.617 -12.694 -26.584 1.00 0.00 H new ATOM 0 HB3 SER A 122 7.383 -11.475 -27.821 1.00 0.00 H new ATOM 0 HG SER A 122 6.868 -13.614 -28.589 1.00 0.00 H new ATOM 733 N SER A 123 9.458 -10.376 -29.290 1.00 0.00 N ATOM 734 CA SER A 123 9.859 -9.852 -30.590 1.00 0.00 C ATOM 735 C SER A 123 11.379 -9.836 -30.708 1.00 0.00 C ATOM 736 O SER A 123 11.931 -10.137 -31.766 1.00 0.00 O ATOM 737 CB SER A 123 9.320 -8.430 -30.764 1.00 0.00 C ATOM 738 OG SER A 123 7.900 -8.455 -30.725 1.00 0.00 O ATOM 0 H SER A 123 8.785 -9.798 -28.786 1.00 0.00 H new ATOM 0 HA SER A 123 9.449 -10.496 -31.368 1.00 0.00 H new ATOM 0 HB2 SER A 123 9.705 -7.784 -29.975 1.00 0.00 H new ATOM 0 HB3 SER A 123 9.661 -8.013 -31.712 1.00 0.00 H new ATOM 0 HG SER A 123 7.554 -7.545 -30.835 1.00 0.00 H new ATOM 744 N LEU A 124 12.049 -9.488 -29.614 1.00 0.00 N ATOM 745 CA LEU A 124 13.505 -9.439 -29.610 1.00 0.00 C ATOM 746 C LEU A 124 14.083 -10.816 -29.929 1.00 0.00 C ATOM 747 O LEU A 124 15.055 -10.936 -30.675 1.00 0.00 O ATOM 748 CB LEU A 124 14.010 -8.971 -28.241 1.00 0.00 C ATOM 749 CG LEU A 124 15.534 -8.826 -28.274 1.00 0.00 C ATOM 750 CD1 LEU A 124 15.920 -7.739 -29.281 1.00 0.00 C ATOM 751 CD2 LEU A 124 16.037 -8.439 -26.886 1.00 0.00 C ATOM 0 H LEU A 124 11.611 -9.238 -28.727 1.00 0.00 H new ATOM 0 HA LEU A 124 13.831 -8.733 -30.374 1.00 0.00 H new ATOM 0 HB2 LEU A 124 13.550 -8.018 -27.980 1.00 0.00 H new ATOM 0 HB3 LEU A 124 13.720 -9.687 -27.472 1.00 0.00 H new ATOM 0 HG LEU A 124 15.985 -9.773 -28.572 1.00 0.00 H new ATOM 0 HD11 LEU A 124 17.005 -7.635 -29.306 1.00 0.00 H new ATOM 0 HD12 LEU A 124 15.560 -8.016 -30.272 1.00 0.00 H new ATOM 0 HD13 LEU A 124 15.471 -6.791 -28.984 1.00 0.00 H new ATOM 0 HD21 LEU A 124 17.122 -8.335 -26.908 1.00 0.00 H new ATOM 0 HD22 LEU A 124 15.588 -7.492 -26.587 1.00 0.00 H new ATOM 0 HD23 LEU A 124 15.761 -9.213 -26.170 1.00 0.00 H new ATOM 763 N ALA A 125 13.476 -11.855 -29.360 1.00 0.00 N ATOM 764 CA ALA A 125 13.930 -13.219 -29.601 1.00 0.00 C ATOM 765 C ALA A 125 13.811 -13.560 -31.083 1.00 0.00 C ATOM 766 O ALA A 125 14.574 -14.371 -31.610 1.00 0.00 O ATOM 767 CB ALA A 125 13.096 -14.200 -28.777 1.00 0.00 C ATOM 0 H ALA A 125 12.675 -11.778 -28.734 1.00 0.00 H new ATOM 0 HA ALA A 125 14.975 -13.298 -29.302 1.00 0.00 H new ATOM 0 HB1 ALA A 125 13.442 -15.217 -28.963 1.00 0.00 H new ATOM 0 HB2 ALA A 125 13.203 -13.968 -27.717 1.00 0.00 H new ATOM 0 HB3 ALA A 125 12.047 -14.115 -29.062 1.00 0.00 H new ATOM 773 N ASN A 126 12.844 -12.933 -31.755 1.00 0.00 N ATOM 774 CA ASN A 126 12.641 -13.167 -33.183 1.00 0.00 C ATOM 775 C ASN A 126 13.694 -12.427 -34.001 1.00 0.00 C ATOM 776 O ASN A 126 14.268 -12.975 -34.942 1.00 0.00 O ATOM 777 CB ASN A 126 11.243 -12.706 -33.594 1.00 0.00 C ATOM 778 CG ASN A 126 10.979 -13.084 -35.048 1.00 0.00 C ATOM 779 OD1 ASN A 126 11.906 -13.450 -35.772 1.00 0.00 O ATOM 780 ND2 ASN A 126 9.766 -13.014 -35.518 1.00 0.00 N ATOM 0 H ASN A 126 12.195 -12.266 -31.337 1.00 0.00 H new ATOM 0 HA ASN A 126 12.737 -14.235 -33.377 1.00 0.00 H new ATOM 0 HB2 ASN A 126 10.495 -13.165 -32.948 1.00 0.00 H new ATOM 0 HB3 ASN A 126 11.154 -11.627 -33.468 1.00 0.00 H new ATOM 0 HD21 ASN A 126 9.580 -13.263 -36.490 1.00 0.00 H new ATOM 0 HD22 ASN A 126 9.002 -12.710 -34.914 1.00 0.00 H new ATOM 787 N TYR A 127 13.953 -11.175 -33.627 1.00 0.00 N ATOM 788 CA TYR A 127 14.947 -10.371 -34.323 1.00 0.00 C ATOM 789 C TYR A 127 16.296 -11.081 -34.320 1.00 0.00 C ATOM 790 O TYR A 127 16.956 -11.183 -35.354 1.00 0.00 O ATOM 791 CB TYR A 127 15.085 -9.008 -33.642 1.00 0.00 C ATOM 792 CG TYR A 127 16.391 -8.369 -34.052 1.00 0.00 C ATOM 793 CD1 TYR A 127 16.565 -7.900 -35.357 1.00 0.00 C ATOM 794 CD2 TYR A 127 17.430 -8.248 -33.121 1.00 0.00 C ATOM 795 CE1 TYR A 127 17.780 -7.311 -35.731 1.00 0.00 C ATOM 796 CE2 TYR A 127 18.641 -7.660 -33.492 1.00 0.00 C ATOM 797 CZ TYR A 127 18.818 -7.190 -34.799 1.00 0.00 C ATOM 798 OH TYR A 127 20.015 -6.610 -35.169 1.00 0.00 O ATOM 0 H TYR A 127 13.490 -10.701 -32.851 1.00 0.00 H new ATOM 0 HA TYR A 127 14.621 -10.229 -35.354 1.00 0.00 H new ATOM 0 HB2 TYR A 127 14.250 -8.365 -33.920 1.00 0.00 H new ATOM 0 HB3 TYR A 127 15.050 -9.126 -32.559 1.00 0.00 H new ATOM 0 HD1 TYR A 127 15.764 -7.991 -36.076 1.00 0.00 H new ATOM 0 HD2 TYR A 127 17.294 -8.611 -32.113 1.00 0.00 H new ATOM 0 HE1 TYR A 127 17.916 -6.950 -36.740 1.00 0.00 H new ATOM 0 HE2 TYR A 127 19.440 -7.568 -32.772 1.00 0.00 H new ATOM 0 HH TYR A 127 20.626 -6.604 -34.403 1.00 0.00 H new ATOM 808 N LEU A 128 16.697 -11.572 -33.152 1.00 0.00 N ATOM 809 CA LEU A 128 17.971 -12.276 -33.030 1.00 0.00 C ATOM 810 C LEU A 128 17.964 -13.540 -33.882 1.00 0.00 C ATOM 811 O LEU A 128 18.953 -13.867 -34.537 1.00 0.00 O ATOM 812 CB LEU A 128 18.220 -12.643 -31.567 1.00 0.00 C ATOM 813 CG LEU A 128 18.321 -11.368 -30.729 1.00 0.00 C ATOM 814 CD1 LEU A 128 18.465 -11.737 -29.252 1.00 0.00 C ATOM 815 CD2 LEU A 128 19.541 -10.555 -31.172 1.00 0.00 C ATOM 0 H LEU A 128 16.166 -11.498 -32.284 1.00 0.00 H new ATOM 0 HA LEU A 128 18.768 -11.620 -33.381 1.00 0.00 H new ATOM 0 HB2 LEU A 128 17.410 -13.271 -31.196 1.00 0.00 H new ATOM 0 HB3 LEU A 128 19.139 -13.223 -31.478 1.00 0.00 H new ATOM 0 HG LEU A 128 17.419 -10.773 -30.870 1.00 0.00 H new ATOM 0 HD11 LEU A 128 18.537 -10.828 -28.655 1.00 0.00 H new ATOM 0 HD12 LEU A 128 17.595 -12.312 -28.934 1.00 0.00 H new ATOM 0 HD13 LEU A 128 19.366 -12.335 -29.112 1.00 0.00 H new ATOM 0 HD21 LEU A 128 19.610 -9.647 -30.573 1.00 0.00 H new ATOM 0 HD22 LEU A 128 20.444 -11.150 -31.035 1.00 0.00 H new ATOM 0 HD23 LEU A 128 19.438 -10.289 -32.224 1.00 0.00 H new ATOM 827 N HIS A 129 16.836 -14.243 -33.879 1.00 0.00 N ATOM 828 CA HIS A 129 16.699 -15.461 -34.669 1.00 0.00 C ATOM 829 C HIS A 129 16.872 -15.153 -36.153 1.00 0.00 C ATOM 830 O HIS A 129 17.404 -15.965 -36.910 1.00 0.00 O ATOM 831 CB HIS A 129 15.329 -16.095 -34.428 1.00 0.00 C ATOM 832 CG HIS A 129 15.257 -17.418 -35.139 1.00 0.00 C ATOM 833 ND1 HIS A 129 14.872 -17.525 -36.466 1.00 0.00 N ATOM 834 CD2 HIS A 129 15.517 -18.701 -34.720 1.00 0.00 C ATOM 835 CE1 HIS A 129 14.910 -18.828 -36.797 1.00 0.00 C ATOM 836 NE2 HIS A 129 15.297 -19.588 -35.770 1.00 0.00 N ATOM 0 H HIS A 129 16.007 -13.992 -33.341 1.00 0.00 H new ATOM 0 HA HIS A 129 17.475 -16.162 -34.361 1.00 0.00 H new ATOM 0 HB2 HIS A 129 15.164 -16.235 -33.360 1.00 0.00 H new ATOM 0 HB3 HIS A 129 14.542 -15.433 -34.788 1.00 0.00 H new ATOM 0 HD2 HIS A 129 15.842 -18.978 -33.728 1.00 0.00 H new ATOM 0 HE1 HIS A 129 14.658 -19.213 -37.774 1.00 0.00 H new ATOM 0 HE2 HIS A 129 15.408 -20.602 -35.757 1.00 0.00 H new ATOM 845 N LYS A 130 16.405 -13.978 -36.566 1.00 0.00 N ATOM 846 CA LYS A 130 16.512 -13.571 -37.962 1.00 0.00 C ATOM 847 C LYS A 130 17.974 -13.467 -38.383 1.00 0.00 C ATOM 848 O LYS A 130 18.343 -13.866 -39.486 1.00 0.00 O ATOM 849 CB LYS A 130 15.816 -12.224 -38.168 1.00 0.00 C ATOM 850 CG LYS A 130 15.848 -11.854 -39.653 1.00 0.00 C ATOM 851 CD LYS A 130 15.119 -10.525 -39.864 1.00 0.00 C ATOM 852 CE LYS A 130 15.145 -10.160 -41.349 1.00 0.00 C ATOM 853 NZ LYS A 130 14.418 -8.876 -41.556 1.00 0.00 N ATOM 0 H LYS A 130 15.952 -13.296 -35.958 1.00 0.00 H new ATOM 0 HA LYS A 130 16.026 -14.327 -38.579 1.00 0.00 H new ATOM 0 HB2 LYS A 130 14.785 -12.278 -37.818 1.00 0.00 H new ATOM 0 HB3 LYS A 130 16.312 -11.452 -37.579 1.00 0.00 H new ATOM 0 HG2 LYS A 130 16.879 -11.774 -39.996 1.00 0.00 H new ATOM 0 HG3 LYS A 130 15.375 -12.638 -40.244 1.00 0.00 H new ATOM 0 HD2 LYS A 130 14.089 -10.604 -39.516 1.00 0.00 H new ATOM 0 HD3 LYS A 130 15.595 -9.740 -39.277 1.00 0.00 H new ATOM 0 HE2 LYS A 130 16.175 -10.067 -41.694 1.00 0.00 H new ATOM 0 HE3 LYS A 130 14.682 -10.952 -41.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 14.435 -8.626 -42.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 13.432 -8.981 -41.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 14.879 -8.123 -41.006 1.00 0.00 H new ATOM 867 N ASN A 131 18.800 -12.919 -37.498 1.00 0.00 N ATOM 868 CA ASN A 131 20.222 -12.761 -37.789 1.00 0.00 C ATOM 869 C ASN A 131 20.974 -14.054 -37.498 1.00 0.00 C ATOM 870 O ASN A 131 22.156 -14.183 -37.817 1.00 0.00 O ATOM 871 CB ASN A 131 20.806 -11.626 -36.946 1.00 0.00 C ATOM 872 CG ASN A 131 20.193 -10.296 -37.368 1.00 0.00 C ATOM 873 OD1 ASN A 131 19.422 -9.699 -36.616 1.00 0.00 O ATOM 874 ND2 ASN A 131 20.497 -9.788 -38.531 1.00 0.00 N ATOM 0 H ASN A 131 18.513 -12.579 -36.580 1.00 0.00 H new ATOM 0 HA ASN A 131 20.333 -12.520 -38.846 1.00 0.00 H new ATOM 0 HB2 ASN A 131 20.609 -11.808 -35.890 1.00 0.00 H new ATOM 0 HB3 ASN A 131 21.889 -11.592 -37.067 1.00 0.00 H new ATOM 0 HD21 ASN A 131 20.096 -8.895 -38.818 1.00 0.00 H new ATOM 0 HD22 ASN A 131 21.136 -10.284 -39.153 1.00 0.00 H new ATOM 881 N GLY A 132 20.280 -15.013 -36.892 1.00 0.00 N ATOM 882 CA GLY A 132 20.893 -16.294 -36.564 1.00 0.00 C ATOM 883 C GLY A 132 21.857 -16.153 -35.392 1.00 0.00 C ATOM 884 O GLY A 132 22.772 -16.961 -35.227 1.00 0.00 O ATOM 0 H GLY A 132 19.301 -14.928 -36.620 1.00 0.00 H new ATOM 0 HA2 GLY A 132 20.118 -17.020 -36.317 1.00 0.00 H new ATOM 0 HA3 GLY A 132 21.425 -16.680 -37.433 1.00 0.00 H new ATOM 888 N GLU A 133 21.650 -15.121 -34.582 1.00 0.00 N ATOM 889 CA GLU A 133 22.509 -14.883 -33.430 1.00 0.00 C ATOM 890 C GLU A 133 21.959 -15.593 -32.200 1.00 0.00 C ATOM 891 O GLU A 133 22.526 -16.584 -31.741 1.00 0.00 O ATOM 892 CB GLU A 133 22.609 -13.381 -33.153 1.00 0.00 C ATOM 893 CG GLU A 133 23.406 -12.709 -34.273 1.00 0.00 C ATOM 894 CD GLU A 133 23.368 -11.195 -34.103 1.00 0.00 C ATOM 895 OE1 GLU A 133 22.535 -10.723 -33.346 1.00 0.00 O ATOM 896 OE2 GLU A 133 24.176 -10.527 -34.729 1.00 0.00 O ATOM 0 H GLU A 133 20.900 -14.440 -34.701 1.00 0.00 H new ATOM 0 HA GLU A 133 23.501 -15.277 -33.651 1.00 0.00 H new ATOM 0 HB2 GLU A 133 21.612 -12.945 -33.089 1.00 0.00 H new ATOM 0 HB3 GLU A 133 23.095 -13.209 -32.192 1.00 0.00 H new ATOM 0 HG2 GLU A 133 24.438 -13.059 -34.257 1.00 0.00 H new ATOM 0 HG3 GLU A 133 22.991 -12.985 -35.242 1.00 0.00 H new ATOM 903 N THR A 134 20.858 -15.074 -31.664 1.00 0.00 N ATOM 904 CA THR A 134 20.242 -15.666 -30.479 1.00 0.00 C ATOM 905 C THR A 134 21.202 -15.617 -29.295 1.00 0.00 C ATOM 906 O THR A 134 20.822 -15.927 -28.165 1.00 0.00 O ATOM 907 CB THR A 134 19.851 -17.117 -30.763 1.00 0.00 C ATOM 908 OG1 THR A 134 20.996 -17.951 -30.643 1.00 0.00 O ATOM 909 CG2 THR A 134 19.288 -17.226 -32.181 1.00 0.00 C ATOM 0 H THR A 134 20.377 -14.251 -32.027 1.00 0.00 H new ATOM 0 HA THR A 134 19.349 -15.092 -30.231 1.00 0.00 H new ATOM 0 HB THR A 134 19.094 -17.435 -30.046 1.00 0.00 H new ATOM 0 HG1 THR A 134 21.634 -17.735 -31.355 1.00 0.00 H new ATOM 0 HG21 THR A 134 19.009 -18.260 -32.383 1.00 0.00 H new ATOM 0 HG22 THR A 134 18.409 -16.589 -32.273 1.00 0.00 H new ATOM 0 HG23 THR A 134 20.044 -16.907 -32.898 1.00 0.00 H new ATOM 917 N SER A 135 22.447 -15.229 -29.558 1.00 0.00 N ATOM 918 CA SER A 135 23.449 -15.146 -28.505 1.00 0.00 C ATOM 919 C SER A 135 23.056 -14.102 -27.468 1.00 0.00 C ATOM 920 O SER A 135 23.187 -14.327 -26.265 1.00 0.00 O ATOM 921 CB SER A 135 24.807 -14.783 -29.109 1.00 0.00 C ATOM 922 OG SER A 135 25.242 -15.837 -29.958 1.00 0.00 O ATOM 0 H SER A 135 22.783 -14.969 -30.486 1.00 0.00 H new ATOM 0 HA SER A 135 23.515 -16.117 -28.015 1.00 0.00 H new ATOM 0 HB2 SER A 135 24.730 -13.854 -29.674 1.00 0.00 H new ATOM 0 HB3 SER A 135 25.537 -14.614 -28.317 1.00 0.00 H new ATOM 0 HG SER A 135 26.111 -15.606 -30.347 1.00 0.00 H new ATOM 928 N LEU A 136 22.571 -12.961 -27.942 1.00 0.00 N ATOM 929 CA LEU A 136 22.164 -11.888 -27.044 1.00 0.00 C ATOM 930 C LEU A 136 21.025 -12.346 -26.143 1.00 0.00 C ATOM 931 O LEU A 136 20.109 -13.034 -26.588 1.00 0.00 O ATOM 932 CB LEU A 136 21.714 -10.667 -27.856 1.00 0.00 C ATOM 933 CG LEU A 136 22.841 -9.633 -27.901 1.00 0.00 C ATOM 934 CD1 LEU A 136 23.065 -9.056 -26.499 1.00 0.00 C ATOM 935 CD2 LEU A 136 24.129 -10.305 -28.387 1.00 0.00 C ATOM 0 H LEU A 136 22.451 -12.756 -28.934 1.00 0.00 H new ATOM 0 HA LEU A 136 23.018 -11.618 -26.423 1.00 0.00 H new ATOM 0 HB2 LEU A 136 21.445 -10.970 -28.868 1.00 0.00 H new ATOM 0 HB3 LEU A 136 20.823 -10.228 -27.407 1.00 0.00 H new ATOM 0 HG LEU A 136 22.568 -8.829 -28.584 1.00 0.00 H new ATOM 0 HD11 LEU A 136 23.868 -8.320 -26.533 1.00 0.00 H new ATOM 0 HD12 LEU A 136 22.149 -8.578 -26.152 1.00 0.00 H new ATOM 0 HD13 LEU A 136 23.338 -9.859 -25.814 1.00 0.00 H new ATOM 0 HD21 LEU A 136 24.933 -9.570 -28.420 1.00 0.00 H new ATOM 0 HD22 LEU A 136 24.400 -11.109 -27.703 1.00 0.00 H new ATOM 0 HD23 LEU A 136 23.971 -10.715 -29.385 1.00 0.00 H new ATOM 947 N LYS A 137 21.094 -11.953 -24.872 1.00 0.00 N ATOM 948 CA LYS A 137 20.069 -12.329 -23.923 1.00 0.00 C ATOM 949 C LYS A 137 19.103 -11.167 -23.678 1.00 0.00 C ATOM 950 O LYS A 137 19.532 -10.023 -23.513 1.00 0.00 O ATOM 951 CB LYS A 137 20.696 -12.757 -22.596 1.00 0.00 C ATOM 952 CG LYS A 137 21.511 -14.037 -22.806 1.00 0.00 C ATOM 953 CD LYS A 137 21.605 -14.803 -21.487 1.00 0.00 C ATOM 954 CE LYS A 137 22.579 -15.974 -21.648 1.00 0.00 C ATOM 955 NZ LYS A 137 23.953 -15.531 -21.277 1.00 0.00 N ATOM 0 H LYS A 137 21.845 -11.380 -24.486 1.00 0.00 H new ATOM 0 HA LYS A 137 19.516 -13.168 -24.345 1.00 0.00 H new ATOM 0 HB2 LYS A 137 21.337 -11.964 -22.212 1.00 0.00 H new ATOM 0 HB3 LYS A 137 19.918 -12.926 -21.852 1.00 0.00 H new ATOM 0 HG2 LYS A 137 21.041 -14.659 -23.568 1.00 0.00 H new ATOM 0 HG3 LYS A 137 22.509 -13.790 -23.167 1.00 0.00 H new ATOM 0 HD2 LYS A 137 21.945 -14.140 -20.692 1.00 0.00 H new ATOM 0 HD3 LYS A 137 20.621 -15.171 -21.196 1.00 0.00 H new ATOM 0 HE2 LYS A 137 22.271 -16.807 -21.016 1.00 0.00 H new ATOM 0 HE3 LYS A 137 22.566 -16.333 -22.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 24.615 -16.325 -21.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 24.245 -14.749 -21.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 23.959 -15.209 -20.288 1.00 0.00 H new ATOM 969 N PRO A 138 17.826 -11.442 -23.617 1.00 0.00 N ATOM 970 CA PRO A 138 16.789 -10.406 -23.350 1.00 0.00 C ATOM 971 C PRO A 138 17.116 -9.581 -22.104 1.00 0.00 C ATOM 972 O PRO A 138 16.772 -8.403 -22.020 1.00 0.00 O ATOM 973 CB PRO A 138 15.515 -11.228 -23.128 1.00 0.00 C ATOM 974 CG PRO A 138 15.734 -12.511 -23.851 1.00 0.00 C ATOM 975 CD PRO A 138 17.226 -12.770 -23.834 1.00 0.00 C ATOM 0 HA PRO A 138 16.707 -9.684 -24.163 1.00 0.00 H new ATOM 0 HB2 PRO A 138 15.341 -11.402 -22.066 1.00 0.00 H new ATOM 0 HB3 PRO A 138 14.639 -10.706 -23.513 1.00 0.00 H new ATOM 0 HG2 PRO A 138 15.194 -13.325 -23.367 1.00 0.00 H new ATOM 0 HG3 PRO A 138 15.364 -12.447 -24.874 1.00 0.00 H new ATOM 0 HD2 PRO A 138 17.500 -13.464 -23.040 1.00 0.00 H new ATOM 0 HD3 PRO A 138 17.564 -13.210 -24.772 1.00 0.00 H new ATOM 983 N GLU A 139 17.788 -10.205 -21.144 1.00 0.00 N ATOM 984 CA GLU A 139 18.163 -9.521 -19.912 1.00 0.00 C ATOM 985 C GLU A 139 19.246 -8.482 -20.181 1.00 0.00 C ATOM 986 O GLU A 139 19.668 -7.761 -19.277 1.00 0.00 O ATOM 987 CB GLU A 139 18.668 -10.533 -18.882 1.00 0.00 C ATOM 988 CG GLU A 139 17.542 -11.508 -18.527 1.00 0.00 C ATOM 989 CD GLU A 139 16.433 -10.773 -17.783 1.00 0.00 C ATOM 990 OE1 GLU A 139 16.710 -9.719 -17.233 1.00 0.00 O ATOM 991 OE2 GLU A 139 15.320 -11.273 -17.775 1.00 0.00 O ATOM 0 H GLU A 139 18.084 -11.180 -21.194 1.00 0.00 H new ATOM 0 HA GLU A 139 17.281 -9.015 -19.520 1.00 0.00 H new ATOM 0 HB2 GLU A 139 19.523 -11.079 -19.282 1.00 0.00 H new ATOM 0 HB3 GLU A 139 19.011 -10.015 -17.986 1.00 0.00 H new ATOM 0 HG2 GLU A 139 17.144 -11.963 -19.434 1.00 0.00 H new ATOM 0 HG3 GLU A 139 17.931 -12.317 -17.909 1.00 0.00 H new ATOM 998 N ASP A 140 19.700 -8.417 -21.430 1.00 0.00 N ATOM 999 CA ASP A 140 20.735 -7.464 -21.804 1.00 0.00 C ATOM 1000 C ASP A 140 20.158 -6.059 -21.950 1.00 0.00 C ATOM 1001 O ASP A 140 20.839 -5.067 -21.683 1.00 0.00 O ATOM 1002 CB ASP A 140 21.379 -7.891 -23.125 1.00 0.00 C ATOM 1003 CG ASP A 140 22.629 -7.057 -23.391 1.00 0.00 C ATOM 1004 OD1 ASP A 140 23.547 -7.128 -22.591 1.00 0.00 O ATOM 1005 OD2 ASP A 140 22.648 -6.361 -24.393 1.00 0.00 O ATOM 0 H ASP A 140 19.369 -9.008 -22.193 1.00 0.00 H new ATOM 0 HA ASP A 140 21.487 -7.450 -21.015 1.00 0.00 H new ATOM 0 HB2 ASP A 140 21.639 -8.949 -23.087 1.00 0.00 H new ATOM 0 HB3 ASP A 140 20.668 -7.767 -23.942 1.00 0.00 H new ATOM 1010 N PHE A 141 18.902 -5.981 -22.385 1.00 0.00 N ATOM 1011 CA PHE A 141 18.256 -4.690 -22.579 1.00 0.00 C ATOM 1012 C PHE A 141 17.276 -4.410 -21.445 1.00 0.00 C ATOM 1013 O PHE A 141 16.416 -5.239 -21.143 1.00 0.00 O ATOM 1014 CB PHE A 141 17.507 -4.675 -23.913 1.00 0.00 C ATOM 1015 CG PHE A 141 16.173 -5.366 -23.754 1.00 0.00 C ATOM 1016 CD1 PHE A 141 16.068 -6.747 -23.958 1.00 0.00 C ATOM 1017 CD2 PHE A 141 15.041 -4.621 -23.400 1.00 0.00 C ATOM 1018 CE1 PHE A 141 14.829 -7.380 -23.808 1.00 0.00 C ATOM 1019 CE2 PHE A 141 13.803 -5.257 -23.250 1.00 0.00 C ATOM 1020 CZ PHE A 141 13.697 -6.636 -23.453 1.00 0.00 C ATOM 0 H PHE A 141 18.319 -6.788 -22.607 1.00 0.00 H new ATOM 0 HA PHE A 141 19.024 -3.917 -22.585 1.00 0.00 H new ATOM 0 HB2 PHE A 141 17.358 -3.648 -24.246 1.00 0.00 H new ATOM 0 HB3 PHE A 141 18.098 -5.176 -24.679 1.00 0.00 H new ATOM 0 HD1 PHE A 141 16.941 -7.322 -24.230 1.00 0.00 H new ATOM 0 HD2 PHE A 141 15.123 -3.556 -23.243 1.00 0.00 H new ATOM 0 HE1 PHE A 141 14.746 -8.445 -23.966 1.00 0.00 H new ATOM 0 HE2 PHE A 141 12.930 -4.682 -22.978 1.00 0.00 H new ATOM 0 HZ PHE A 141 12.742 -7.127 -23.336 1.00 0.00 H new ATOM 1030 N ASP A 142 17.405 -3.238 -20.832 1.00 0.00 N ATOM 1031 CA ASP A 142 16.515 -2.853 -19.742 1.00 0.00 C ATOM 1032 C ASP A 142 15.769 -1.570 -20.093 1.00 0.00 C ATOM 1033 O ASP A 142 16.378 -0.513 -20.260 1.00 0.00 O ATOM 1034 CB ASP A 142 17.320 -2.647 -18.459 1.00 0.00 C ATOM 1035 CG ASP A 142 17.814 -3.991 -17.933 1.00 0.00 C ATOM 1036 OD1 ASP A 142 17.305 -5.004 -18.386 1.00 0.00 O ATOM 1037 OD2 ASP A 142 18.693 -3.988 -17.090 1.00 0.00 O ATOM 0 H ASP A 142 18.112 -2.542 -21.069 1.00 0.00 H new ATOM 0 HA ASP A 142 15.789 -3.651 -19.587 1.00 0.00 H new ATOM 0 HB2 ASP A 142 18.167 -1.989 -18.653 1.00 0.00 H new ATOM 0 HB3 ASP A 142 16.702 -2.157 -17.706 1.00 0.00 H new ATOM 1042 N PHE A 143 14.448 -1.670 -20.207 1.00 0.00 N ATOM 1043 CA PHE A 143 13.631 -0.510 -20.548 1.00 0.00 C ATOM 1044 C PHE A 143 13.732 0.556 -19.460 1.00 0.00 C ATOM 1045 O PHE A 143 13.542 1.743 -19.724 1.00 0.00 O ATOM 1046 CB PHE A 143 12.170 -0.931 -20.717 1.00 0.00 C ATOM 1047 CG PHE A 143 11.547 -1.143 -19.358 1.00 0.00 C ATOM 1048 CD1 PHE A 143 11.640 -2.392 -18.731 1.00 0.00 C ATOM 1049 CD2 PHE A 143 10.877 -0.089 -18.726 1.00 0.00 C ATOM 1050 CE1 PHE A 143 11.061 -2.586 -17.470 1.00 0.00 C ATOM 1051 CE2 PHE A 143 10.298 -0.283 -17.466 1.00 0.00 C ATOM 1052 CZ PHE A 143 10.390 -1.531 -16.838 1.00 0.00 C ATOM 0 H PHE A 143 13.924 -2.534 -20.070 1.00 0.00 H new ATOM 0 HA PHE A 143 14.000 -0.093 -21.485 1.00 0.00 H new ATOM 0 HB2 PHE A 143 11.621 -0.165 -21.265 1.00 0.00 H new ATOM 0 HB3 PHE A 143 12.110 -1.848 -21.303 1.00 0.00 H new ATOM 0 HD1 PHE A 143 12.157 -3.205 -19.219 1.00 0.00 H new ATOM 0 HD2 PHE A 143 10.807 0.874 -19.210 1.00 0.00 H new ATOM 0 HE1 PHE A 143 11.132 -3.549 -16.985 1.00 0.00 H new ATOM 0 HE2 PHE A 143 9.780 0.530 -16.979 1.00 0.00 H new ATOM 0 HZ PHE A 143 9.944 -1.680 -15.866 1.00 0.00 H new