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 114 GLN : amide:sc= -3.31! C(o=-6.1!,f=-13!) USER MOD Set 1.2: A 127 TYR OH : rot 15:sc= -2.8! USER MOD Single : A 88 CYS SG : rot 10:sc= 0.224 USER MOD Single : A 95 LYS NZ :NH3+ -159:sc= -0.1 (180deg=-0.536) USER MOD Single : A 96 GLN :FLIP amide:sc= -2.83! C(o=-5!,f=-2.8!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -110:sc= -0.289 USER MOD Single : A 109 TYR OH : rot 165:sc= -2.39! USER MOD Single : A 112 SER OG : rot -47:sc= -0.269! 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+ 168:sc= -0.0028 (180deg=-0.177) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= -0.0528 K(o=-0.053,f=-1.2!) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= -1.8! C(o=-1.8!,f=-1.4!) 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+ -161:sc= -0.0347 (180deg=-0.479) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 87 24.803 -0.197 -24.981 1.00 0.00 N ATOM 135 CA PRO A 87 25.438 -0.912 -26.122 1.00 0.00 C ATOM 136 C PRO A 87 25.461 -0.068 -27.392 1.00 0.00 C ATOM 137 O PRO A 87 24.528 0.688 -27.665 1.00 0.00 O ATOM 138 CB PRO A 87 24.553 -2.150 -26.300 1.00 0.00 C ATOM 139 CG PRO A 87 23.219 -1.767 -25.757 1.00 0.00 C ATOM 140 CD PRO A 87 23.475 -0.749 -24.664 1.00 0.00 C ATOM 0 HA PRO A 87 26.484 -1.151 -25.929 1.00 0.00 H new ATOM 0 HB2 PRO A 87 24.482 -2.434 -27.350 1.00 0.00 H new ATOM 0 HB3 PRO A 87 24.964 -3.006 -25.765 1.00 0.00 H new ATOM 0 HG2 PRO A 87 22.588 -1.345 -26.540 1.00 0.00 H new ATOM 0 HG3 PRO A 87 22.697 -2.638 -25.361 1.00 0.00 H new ATOM 0 HD2 PRO A 87 22.712 0.029 -24.659 1.00 0.00 H new ATOM 0 HD3 PRO A 87 23.463 -1.213 -23.678 1.00 0.00 H new ATOM 148 N CYS A 88 26.530 -0.208 -28.170 1.00 0.00 N ATOM 149 CA CYS A 88 26.658 0.544 -29.412 1.00 0.00 C ATOM 150 C CYS A 88 25.898 -0.152 -30.537 1.00 0.00 C ATOM 151 O CYS A 88 25.714 -1.367 -30.517 1.00 0.00 O ATOM 152 CB CYS A 88 28.136 0.672 -29.793 1.00 0.00 C ATOM 153 SG CYS A 88 28.765 -0.942 -30.321 1.00 0.00 S ATOM 0 H CYS A 88 27.313 -0.829 -27.965 1.00 0.00 H new ATOM 0 HA CYS A 88 26.234 1.537 -29.262 1.00 0.00 H new ATOM 0 HB2 CYS A 88 28.254 1.400 -30.595 1.00 0.00 H new ATOM 0 HB3 CYS A 88 28.711 1.038 -28.943 1.00 0.00 H new ATOM 0 HG CYS A 88 27.773 -1.771 -30.456 1.00 0.00 H new ATOM 159 N GLY A 89 25.467 0.630 -31.522 1.00 0.00 N ATOM 160 CA GLY A 89 24.732 0.082 -32.657 1.00 0.00 C ATOM 161 C GLY A 89 23.227 0.173 -32.429 1.00 0.00 C ATOM 162 O GLY A 89 22.442 0.100 -33.372 1.00 0.00 O ATOM 0 H GLY A 89 25.613 1.639 -31.558 1.00 0.00 H new ATOM 0 HA2 GLY A 89 24.999 0.624 -33.564 1.00 0.00 H new ATOM 0 HA3 GLY A 89 25.018 -0.958 -32.812 1.00 0.00 H new ATOM 166 N TRP A 90 22.834 0.346 -31.172 1.00 0.00 N ATOM 167 CA TRP A 90 21.419 0.455 -30.828 1.00 0.00 C ATOM 168 C TRP A 90 21.042 1.910 -30.578 1.00 0.00 C ATOM 169 O TRP A 90 21.901 2.739 -30.276 1.00 0.00 O ATOM 170 CB TRP A 90 21.118 -0.375 -29.584 1.00 0.00 C ATOM 171 CG TRP A 90 21.286 -1.826 -29.905 1.00 0.00 C ATOM 172 CD1 TRP A 90 22.474 -2.461 -30.033 1.00 0.00 C ATOM 173 CD2 TRP A 90 20.256 -2.835 -30.120 1.00 0.00 C ATOM 174 NE1 TRP A 90 22.240 -3.790 -30.328 1.00 0.00 N ATOM 175 CE2 TRP A 90 20.889 -4.073 -30.389 1.00 0.00 C ATOM 176 CE3 TRP A 90 18.851 -2.797 -30.113 1.00 0.00 C ATOM 177 CZ2 TRP A 90 20.153 -5.230 -30.641 1.00 0.00 C ATOM 178 CZ3 TRP A 90 18.107 -3.961 -30.365 1.00 0.00 C ATOM 179 CH2 TRP A 90 18.758 -5.176 -30.630 1.00 0.00 C ATOM 0 H TRP A 90 23.470 0.414 -30.378 1.00 0.00 H new ATOM 0 HA TRP A 90 20.830 0.077 -31.664 1.00 0.00 H new ATOM 0 HB2 TRP A 90 21.788 -0.090 -28.772 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.101 -0.182 -29.241 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.446 -2.004 -29.923 1.00 0.00 H new ATOM 0 HE1 TRP A 90 22.976 -4.479 -30.482 1.00 0.00 H new ATOM 0 HE3 TRP A 90 18.340 -1.867 -29.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 20.659 -6.162 -30.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 17.028 -3.921 -30.355 1.00 0.00 H new ATOM 0 HH2 TRP A 90 18.181 -6.068 -30.825 1.00 0.00 H new ATOM 190 N GLU A 91 19.754 2.215 -30.707 1.00 0.00 N ATOM 191 CA GLU A 91 19.273 3.576 -30.490 1.00 0.00 C ATOM 192 C GLU A 91 18.116 3.579 -29.496 1.00 0.00 C ATOM 193 O GLU A 91 17.333 2.631 -29.441 1.00 0.00 O ATOM 194 CB GLU A 91 18.814 4.183 -31.815 1.00 0.00 C ATOM 195 CG GLU A 91 19.994 4.229 -32.791 1.00 0.00 C ATOM 196 CD GLU A 91 20.096 2.908 -33.548 1.00 0.00 C ATOM 197 OE1 GLU A 91 19.424 1.968 -33.157 1.00 0.00 O ATOM 198 OE2 GLU A 91 20.844 2.858 -34.508 1.00 0.00 O ATOM 0 H GLU A 91 19.029 1.543 -30.959 1.00 0.00 H new ATOM 0 HA GLU A 91 20.089 4.173 -30.083 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.002 3.591 -32.237 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.424 5.188 -31.651 1.00 0.00 H new ATOM 0 HG2 GLU A 91 19.863 5.052 -33.494 1.00 0.00 H new ATOM 0 HG3 GLU A 91 20.919 4.419 -32.247 1.00 0.00 H new ATOM 205 N ARG A 92 18.013 4.654 -28.718 1.00 0.00 N ATOM 206 CA ARG A 92 16.947 4.774 -27.730 1.00 0.00 C ATOM 207 C ARG A 92 16.048 5.961 -28.056 1.00 0.00 C ATOM 208 O ARG A 92 16.529 7.067 -28.298 1.00 0.00 O ATOM 209 CB ARG A 92 17.550 4.953 -26.336 1.00 0.00 C ATOM 210 CG ARG A 92 17.984 3.592 -25.788 1.00 0.00 C ATOM 211 CD ARG A 92 19.217 3.766 -24.901 1.00 0.00 C ATOM 212 NE ARG A 92 18.922 4.674 -23.798 1.00 0.00 N ATOM 213 CZ ARG A 92 19.627 4.639 -22.672 1.00 0.00 C ATOM 214 NH1 ARG A 92 20.601 3.781 -22.539 1.00 0.00 N ATOM 215 NH2 ARG A 92 19.345 5.463 -21.701 1.00 0.00 N ATOM 0 H ARG A 92 18.651 5.449 -28.753 1.00 0.00 H new ATOM 0 HA ARG A 92 16.348 3.864 -27.753 1.00 0.00 H new ATOM 0 HB2 ARG A 92 18.405 5.628 -26.382 1.00 0.00 H new ATOM 0 HB3 ARG A 92 16.819 5.409 -25.668 1.00 0.00 H new ATOM 0 HG2 ARG A 92 17.172 3.143 -25.216 1.00 0.00 H new ATOM 0 HG3 ARG A 92 18.208 2.912 -26.610 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.532 2.798 -24.510 1.00 0.00 H new ATOM 0 HD3 ARG A 92 20.046 4.157 -25.491 1.00 0.00 H new ATOM 0 HE ARG A 92 18.162 5.347 -23.893 1.00 0.00 H new ATOM 0 HH11 ARG A 92 20.821 3.137 -23.299 1.00 0.00 H new ATOM 0 HH12 ARG A 92 21.142 3.754 -21.675 1.00 0.00 H new ATOM 0 HH21 ARG A 92 18.584 6.134 -21.806 1.00 0.00 H new ATOM 0 HH22 ARG A 92 19.886 5.437 -20.837 1.00 0.00 H new ATOM 229 N VAL A 93 14.742 5.719 -28.063 1.00 0.00 N ATOM 230 CA VAL A 93 13.775 6.768 -28.363 1.00 0.00 C ATOM 231 C VAL A 93 12.722 6.870 -27.273 1.00 0.00 C ATOM 232 O VAL A 93 12.166 5.862 -26.853 1.00 0.00 O ATOM 233 CB VAL A 93 13.098 6.477 -29.703 1.00 0.00 C ATOM 234 CG1 VAL A 93 11.845 7.342 -29.837 1.00 0.00 C ATOM 235 CG2 VAL A 93 14.064 6.813 -30.846 1.00 0.00 C ATOM 0 H VAL A 93 14.329 4.808 -27.865 1.00 0.00 H new ATOM 0 HA VAL A 93 14.308 7.718 -28.416 1.00 0.00 H new ATOM 0 HB VAL A 93 12.825 5.423 -29.750 1.00 0.00 H new ATOM 0 HG11 VAL A 93 11.361 7.136 -30.792 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.156 7.113 -29.024 1.00 0.00 H new ATOM 0 HG13 VAL A 93 12.123 8.395 -29.791 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.583 6.606 -31.802 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.334 7.868 -30.796 1.00 0.00 H new ATOM 0 HG23 VAL A 93 14.963 6.204 -30.753 1.00 0.00 H new ATOM 245 N VAL A 94 12.451 8.094 -26.825 1.00 0.00 N ATOM 246 CA VAL A 94 11.451 8.312 -25.788 1.00 0.00 C ATOM 247 C VAL A 94 10.378 9.278 -26.278 1.00 0.00 C ATOM 248 O VAL A 94 10.683 10.310 -26.876 1.00 0.00 O ATOM 249 CB VAL A 94 12.117 8.881 -24.534 1.00 0.00 C ATOM 250 CG1 VAL A 94 13.198 7.914 -24.048 1.00 0.00 C ATOM 251 CG2 VAL A 94 12.755 10.233 -24.862 1.00 0.00 C ATOM 0 H VAL A 94 12.907 8.942 -27.162 1.00 0.00 H new ATOM 0 HA VAL A 94 10.984 7.356 -25.550 1.00 0.00 H new ATOM 0 HB VAL A 94 11.367 9.013 -23.754 1.00 0.00 H new ATOM 0 HG11 VAL A 94 13.673 8.319 -23.154 1.00 0.00 H new ATOM 0 HG12 VAL A 94 12.746 6.950 -23.814 1.00 0.00 H new ATOM 0 HG13 VAL A 94 13.947 7.783 -24.829 1.00 0.00 H new ATOM 0 HG21 VAL A 94 13.229 10.638 -23.968 1.00 0.00 H new ATOM 0 HG22 VAL A 94 13.504 10.102 -25.643 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.986 10.923 -25.209 1.00 0.00 H new ATOM 261 N LYS A 95 9.119 8.940 -26.012 1.00 0.00 N ATOM 262 CA LYS A 95 8.007 9.789 -26.421 1.00 0.00 C ATOM 263 C LYS A 95 6.977 9.904 -25.302 1.00 0.00 C ATOM 264 O LYS A 95 6.478 8.899 -24.797 1.00 0.00 O ATOM 265 CB LYS A 95 7.340 9.211 -27.672 1.00 0.00 C ATOM 266 CG LYS A 95 8.295 9.328 -28.862 1.00 0.00 C ATOM 267 CD LYS A 95 7.620 8.765 -30.115 1.00 0.00 C ATOM 268 CE LYS A 95 8.569 8.891 -31.307 1.00 0.00 C ATOM 269 NZ LYS A 95 8.840 10.332 -31.579 1.00 0.00 N ATOM 0 H LYS A 95 8.846 8.090 -25.519 1.00 0.00 H new ATOM 0 HA LYS A 95 8.398 10.782 -26.642 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.076 8.167 -27.506 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.413 9.745 -27.882 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.569 10.371 -29.021 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.217 8.784 -28.657 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.353 7.720 -29.958 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.694 9.304 -30.315 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.502 8.368 -31.099 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.129 8.421 -32.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.172 10.444 -32.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.967 10.881 -31.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.571 10.677 -30.925 1.00 0.00 H new ATOM 283 N GLN A 96 6.661 11.138 -24.923 1.00 0.00 N ATOM 284 CA GLN A 96 5.686 11.376 -23.863 1.00 0.00 C ATOM 285 C GLN A 96 4.284 11.517 -24.451 1.00 0.00 C ATOM 286 O GLN A 96 4.111 12.068 -25.537 1.00 0.00 O ATOM 287 CB GLN A 96 6.046 12.647 -23.094 1.00 0.00 C ATOM 288 CG GLN A 96 6.798 13.608 -24.015 1.00 0.00 C ATOM 289 CD GLN A 96 8.285 13.267 -24.022 1.00 0.00 C ATOM 290 OE1 GLN A 96 8.676 12.090 -23.614 1.00 0.00 O flip ATOM 291 NE2 GLN A 96 9.110 14.094 -24.410 1.00 0.00 N flip ATOM 0 H GLN A 96 7.062 11.983 -25.330 1.00 0.00 H new ATOM 0 HA GLN A 96 5.703 10.525 -23.182 1.00 0.00 H new ATOM 0 HB2 GLN A 96 5.142 13.123 -22.715 1.00 0.00 H new ATOM 0 HB3 GLN A 96 6.662 12.399 -22.230 1.00 0.00 H new ATOM 0 HG2 GLN A 96 6.397 13.544 -25.027 1.00 0.00 H new ATOM 0 HG3 GLN A 96 6.653 14.635 -23.679 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.801 15.012 -24.728 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.103 13.861 -24.414 1.00 0.00 H new ATOM 300 N ARG A 97 3.291 11.010 -23.729 1.00 0.00 N ATOM 301 CA ARG A 97 1.909 11.082 -24.190 1.00 0.00 C ATOM 302 C ARG A 97 1.397 12.514 -24.106 1.00 0.00 C ATOM 303 O ARG A 97 1.658 13.219 -23.131 1.00 0.00 O ATOM 304 CB ARG A 97 1.028 10.172 -23.334 1.00 0.00 C ATOM 305 CG ARG A 97 1.551 8.736 -23.396 1.00 0.00 C ATOM 306 CD ARG A 97 1.078 8.068 -24.689 1.00 0.00 C ATOM 307 NE ARG A 97 1.463 6.663 -24.699 1.00 0.00 N ATOM 308 CZ ARG A 97 0.708 5.740 -24.112 1.00 0.00 C ATOM 309 NH1 ARG A 97 -0.396 6.088 -23.511 1.00 0.00 N ATOM 310 NH2 ARG A 97 1.075 4.489 -24.135 1.00 0.00 N ATOM 0 H ARG A 97 3.415 10.548 -22.828 1.00 0.00 H new ATOM 0 HA ARG A 97 1.870 10.752 -25.228 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.022 10.522 -22.302 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.002 10.209 -23.689 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.640 8.734 -23.352 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.196 8.172 -22.533 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.005 8.157 -24.778 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.511 8.578 -25.550 1.00 0.00 H new ATOM 0 HE ARG A 97 2.326 6.383 -25.164 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.679 7.068 -23.492 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.976 5.380 -23.060 1.00 0.00 H new ATOM 0 HH21 ARG A 97 1.940 4.220 -24.603 1.00 0.00 H new ATOM 0 HH22 ARG A 97 0.497 3.779 -23.685 1.00 0.00 H new ATOM 324 N LEU A 98 0.674 12.941 -25.139 1.00 0.00 N ATOM 325 CA LEU A 98 0.139 14.297 -25.176 1.00 0.00 C ATOM 326 C LEU A 98 -1.372 14.283 -24.991 1.00 0.00 C ATOM 327 O LEU A 98 -1.949 15.239 -24.471 1.00 0.00 O ATOM 328 CB LEU A 98 0.485 14.957 -26.515 1.00 0.00 C ATOM 329 CG LEU A 98 1.927 15.470 -26.475 1.00 0.00 C ATOM 330 CD1 LEU A 98 2.887 14.294 -26.278 1.00 0.00 C ATOM 331 CD2 LEU A 98 2.251 16.175 -27.794 1.00 0.00 C ATOM 0 H LEU A 98 0.447 12.372 -25.955 1.00 0.00 H new ATOM 0 HA LEU A 98 0.587 14.867 -24.362 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.365 14.240 -27.327 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.200 15.781 -26.714 1.00 0.00 H new ATOM 0 HG LEU A 98 2.039 16.170 -25.647 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.913 14.662 -26.250 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.657 13.790 -25.340 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.776 13.592 -27.104 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.277 16.541 -27.768 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.137 15.472 -28.620 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.570 17.014 -27.935 1.00 0.00 H new ATOM 343 N PHE A 99 -2.007 13.198 -25.423 1.00 0.00 N ATOM 344 CA PHE A 99 -3.456 13.077 -25.301 1.00 0.00 C ATOM 345 C PHE A 99 -3.833 11.715 -24.722 1.00 0.00 C ATOM 346 O PHE A 99 -3.200 10.707 -25.037 1.00 0.00 O ATOM 347 CB PHE A 99 -4.105 13.241 -26.677 1.00 0.00 C ATOM 348 CG PHE A 99 -3.751 14.598 -27.239 1.00 0.00 C ATOM 349 CD1 PHE A 99 -2.541 14.777 -27.921 1.00 0.00 C ATOM 350 CD2 PHE A 99 -4.633 15.674 -27.084 1.00 0.00 C ATOM 351 CE1 PHE A 99 -2.213 16.033 -28.445 1.00 0.00 C ATOM 352 CE2 PHE A 99 -4.305 16.930 -27.609 1.00 0.00 C ATOM 353 CZ PHE A 99 -3.094 17.109 -28.288 1.00 0.00 C ATOM 0 H PHE A 99 -1.547 12.397 -25.856 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.814 13.857 -24.630 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.761 12.455 -27.350 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.187 13.140 -26.596 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.861 13.947 -28.043 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.567 15.535 -26.559 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.280 16.172 -28.971 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.986 17.760 -27.490 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.839 18.078 -28.691 1.00 0.00 H new ATOM 363 N GLY A 100 -4.863 11.697 -23.880 1.00 0.00 N ATOM 364 CA GLY A 100 -5.318 10.456 -23.270 1.00 0.00 C ATOM 365 C GLY A 100 -5.187 10.516 -21.753 1.00 0.00 C ATOM 366 O GLY A 100 -4.470 11.357 -21.214 1.00 0.00 O ATOM 0 H GLY A 100 -5.394 12.524 -23.607 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -6.357 10.272 -23.542 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.734 9.621 -23.657 1.00 0.00 H new ATOM 370 N LYS A 101 -5.888 9.617 -21.070 1.00 0.00 N ATOM 371 CA LYS A 101 -5.848 9.575 -19.614 1.00 0.00 C ATOM 372 C LYS A 101 -4.411 9.415 -19.126 1.00 0.00 C ATOM 373 O LYS A 101 -4.084 9.776 -17.996 1.00 0.00 O ATOM 374 CB LYS A 101 -6.697 8.411 -19.102 1.00 0.00 C ATOM 375 CG LYS A 101 -7.205 8.736 -17.697 1.00 0.00 C ATOM 376 CD LYS A 101 -7.891 7.501 -17.102 1.00 0.00 C ATOM 377 CE LYS A 101 -6.848 6.619 -16.409 1.00 0.00 C ATOM 378 NZ LYS A 101 -7.527 5.458 -15.768 1.00 0.00 N ATOM 0 H LYS A 101 -6.487 8.912 -21.499 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.250 10.512 -19.228 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.537 8.236 -19.774 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.106 7.495 -19.085 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -6.375 9.046 -17.062 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.905 9.570 -17.736 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.656 7.806 -16.388 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.394 6.938 -17.888 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -6.113 6.269 -17.134 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.307 7.197 -15.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -6.819 4.859 -15.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.213 5.801 -15.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.024 4.902 -16.493 1.00 0.00 H new ATOM 392 N THR A 102 -3.556 8.868 -19.988 1.00 0.00 N ATOM 393 CA THR A 102 -2.159 8.666 -19.633 1.00 0.00 C ATOM 394 C THR A 102 -1.337 9.906 -19.952 1.00 0.00 C ATOM 395 O THR A 102 -0.168 9.993 -19.577 1.00 0.00 O ATOM 396 CB THR A 102 -1.593 7.469 -20.402 1.00 0.00 C ATOM 397 OG1 THR A 102 -1.642 7.739 -21.796 1.00 0.00 O ATOM 398 CG2 THR A 102 -2.420 6.223 -20.089 1.00 0.00 C ATOM 0 H THR A 102 -3.806 8.560 -20.928 1.00 0.00 H new ATOM 0 HA THR A 102 -2.103 8.473 -18.562 1.00 0.00 H new ATOM 0 HB THR A 102 -0.559 7.298 -20.102 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.318 7.167 -22.216 1.00 0.00 H new ATOM 0 HG21 THR A 102 -2.016 5.371 -20.637 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.379 6.019 -19.019 1.00 0.00 H new ATOM 0 HG23 THR A 102 -3.455 6.389 -20.388 1.00 0.00 H new ATOM 406 N ALA A 103 -1.958 10.859 -20.643 1.00 0.00 N ATOM 407 CA ALA A 103 -1.272 12.097 -21.015 1.00 0.00 C ATOM 408 C ALA A 103 -0.242 12.484 -19.958 1.00 0.00 C ATOM 409 O ALA A 103 -0.595 12.934 -18.869 1.00 0.00 O ATOM 410 CB ALA A 103 -2.292 13.229 -21.159 1.00 0.00 C ATOM 0 H ALA A 103 -2.927 10.800 -20.955 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.760 11.933 -21.963 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.778 14.149 -21.436 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.015 12.971 -21.932 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.810 13.374 -20.211 1.00 0.00 H new ATOM 416 N GLY A 104 1.031 12.287 -20.286 1.00 0.00 N ATOM 417 CA GLY A 104 2.113 12.602 -19.362 1.00 0.00 C ATOM 418 C GLY A 104 3.020 11.396 -19.131 1.00 0.00 C ATOM 419 O GLY A 104 4.143 11.540 -18.650 1.00 0.00 O ATOM 0 H GLY A 104 1.338 11.911 -21.183 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.701 13.430 -19.757 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.696 12.933 -18.411 1.00 0.00 H new ATOM 423 N ARG A 105 2.530 10.215 -19.491 1.00 0.00 N ATOM 424 CA ARG A 105 3.312 8.995 -19.333 1.00 0.00 C ATOM 425 C ARG A 105 4.481 8.983 -20.313 1.00 0.00 C ATOM 426 O ARG A 105 4.446 9.660 -21.342 1.00 0.00 O ATOM 427 CB ARG A 105 2.433 7.771 -19.574 1.00 0.00 C ATOM 428 CG ARG A 105 3.021 6.562 -18.846 1.00 0.00 C ATOM 429 CD ARG A 105 2.493 6.521 -17.409 1.00 0.00 C ATOM 430 NE ARG A 105 1.047 6.343 -17.411 1.00 0.00 N ATOM 431 CZ ARG A 105 0.342 6.438 -16.290 1.00 0.00 C ATOM 432 NH1 ARG A 105 0.944 6.695 -15.161 1.00 0.00 N ATOM 433 NH2 ARG A 105 -0.952 6.275 -16.316 1.00 0.00 N ATOM 0 H ARG A 105 1.602 10.077 -19.891 1.00 0.00 H new ATOM 0 HA ARG A 105 3.700 8.965 -18.315 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.420 7.963 -19.220 1.00 0.00 H new ATOM 0 HB3 ARG A 105 2.364 7.566 -20.642 1.00 0.00 H new ATOM 0 HG2 ARG A 105 2.753 5.644 -19.369 1.00 0.00 H new ATOM 0 HG3 ARG A 105 4.109 6.621 -18.843 1.00 0.00 H new ATOM 0 HD2 ARG A 105 2.967 5.705 -16.863 1.00 0.00 H new ATOM 0 HD3 ARG A 105 2.753 7.445 -16.892 1.00 0.00 H new ATOM 0 HE ARG A 105 0.568 6.142 -18.289 1.00 0.00 H new ATOM 0 HH11 ARG A 105 1.956 6.823 -15.140 1.00 0.00 H new ATOM 0 HH12 ARG A 105 0.403 6.768 -14.300 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -1.423 6.074 -17.198 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.493 6.348 -15.454 1.00 0.00 H new ATOM 447 N PHE A 106 5.517 8.219 -19.984 1.00 0.00 N ATOM 448 CA PHE A 106 6.695 8.135 -20.839 1.00 0.00 C ATOM 449 C PHE A 106 6.806 6.754 -21.475 1.00 0.00 C ATOM 450 O PHE A 106 6.724 5.738 -20.785 1.00 0.00 O ATOM 451 CB PHE A 106 7.954 8.418 -20.013 1.00 0.00 C ATOM 452 CG PHE A 106 7.915 9.838 -19.502 1.00 0.00 C ATOM 453 CD1 PHE A 106 8.442 10.877 -20.282 1.00 0.00 C ATOM 454 CD2 PHE A 106 7.354 10.119 -18.251 1.00 0.00 C ATOM 455 CE1 PHE A 106 8.406 12.194 -19.810 1.00 0.00 C ATOM 456 CE2 PHE A 106 7.317 11.437 -17.780 1.00 0.00 C ATOM 457 CZ PHE A 106 7.843 12.474 -18.558 1.00 0.00 C ATOM 0 H PHE A 106 5.565 7.653 -19.137 1.00 0.00 H new ATOM 0 HA PHE A 106 6.598 8.877 -21.631 1.00 0.00 H new ATOM 0 HB2 PHE A 106 8.017 7.721 -19.177 1.00 0.00 H new ATOM 0 HB3 PHE A 106 8.844 8.265 -20.623 1.00 0.00 H new ATOM 0 HD1 PHE A 106 8.876 10.661 -21.247 1.00 0.00 H new ATOM 0 HD2 PHE A 106 6.950 9.319 -17.649 1.00 0.00 H new ATOM 0 HE1 PHE A 106 8.812 12.994 -20.411 1.00 0.00 H new ATOM 0 HE2 PHE A 106 6.882 11.653 -16.815 1.00 0.00 H new ATOM 0 HZ PHE A 106 7.815 13.490 -18.193 1.00 0.00 H new ATOM 467 N ASP A 107 7.007 6.728 -22.791 1.00 0.00 N ATOM 468 CA ASP A 107 7.146 5.465 -23.510 1.00 0.00 C ATOM 469 C ASP A 107 8.487 5.416 -24.234 1.00 0.00 C ATOM 470 O ASP A 107 8.791 6.283 -25.055 1.00 0.00 O ATOM 471 CB ASP A 107 6.011 5.311 -24.520 1.00 0.00 C ATOM 472 CG ASP A 107 4.676 5.617 -23.850 1.00 0.00 C ATOM 473 OD1 ASP A 107 4.298 6.776 -23.834 1.00 0.00 O ATOM 474 OD2 ASP A 107 4.049 4.687 -23.372 1.00 0.00 O ATOM 0 H ASP A 107 7.077 7.560 -23.377 1.00 0.00 H new ATOM 0 HA ASP A 107 7.100 4.647 -22.791 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.168 5.985 -25.362 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.003 4.297 -24.920 1.00 0.00 H new ATOM 479 N VAL A 108 9.291 4.404 -23.911 1.00 0.00 N ATOM 480 CA VAL A 108 10.606 4.264 -24.524 1.00 0.00 C ATOM 481 C VAL A 108 10.779 2.868 -25.114 1.00 0.00 C ATOM 482 O VAL A 108 10.161 1.910 -24.653 1.00 0.00 O ATOM 483 CB VAL A 108 11.694 4.510 -23.476 1.00 0.00 C ATOM 484 CG1 VAL A 108 11.320 5.726 -22.624 1.00 0.00 C ATOM 485 CG2 VAL A 108 11.829 3.281 -22.581 1.00 0.00 C ATOM 0 H VAL A 108 9.056 3.677 -23.235 1.00 0.00 H new ATOM 0 HA VAL A 108 10.693 4.998 -25.325 1.00 0.00 H new ATOM 0 HB VAL A 108 12.643 4.698 -23.978 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.096 5.900 -21.878 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.228 6.604 -23.263 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.370 5.541 -22.123 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.604 3.457 -21.835 1.00 0.00 H new ATOM 0 HG22 VAL A 108 10.880 3.090 -22.080 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.099 2.417 -23.188 1.00 0.00 H new ATOM 495 N TYR A 109 11.627 2.764 -26.131 1.00 0.00 N ATOM 496 CA TYR A 109 11.885 1.480 -26.774 1.00 0.00 C ATOM 497 C TYR A 109 13.244 1.488 -27.462 1.00 0.00 C ATOM 498 O TYR A 109 13.805 2.550 -27.729 1.00 0.00 O ATOM 499 CB TYR A 109 10.786 1.170 -27.789 1.00 0.00 C ATOM 500 CG TYR A 109 10.659 2.321 -28.755 1.00 0.00 C ATOM 501 CD1 TYR A 109 11.436 2.350 -29.918 1.00 0.00 C ATOM 502 CD2 TYR A 109 9.762 3.361 -28.484 1.00 0.00 C ATOM 503 CE1 TYR A 109 11.313 3.422 -30.812 1.00 0.00 C ATOM 504 CE2 TYR A 109 9.641 4.431 -29.377 1.00 0.00 C ATOM 505 CZ TYR A 109 10.417 4.462 -30.542 1.00 0.00 C ATOM 506 OH TYR A 109 10.297 5.517 -31.424 1.00 0.00 O ATOM 0 H TYR A 109 12.145 3.548 -26.527 1.00 0.00 H new ATOM 0 HA TYR A 109 11.890 0.705 -26.007 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.022 0.252 -28.328 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.838 1.004 -27.277 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.129 1.548 -30.126 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.163 3.337 -27.585 1.00 0.00 H new ATOM 0 HE1 TYR A 109 11.911 3.445 -31.711 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.949 5.233 -29.168 1.00 0.00 H new ATOM 0 HH TYR A 109 9.481 6.021 -31.222 1.00 0.00 H new ATOM 516 N PHE A 110 13.769 0.298 -27.741 1.00 0.00 N ATOM 517 CA PHE A 110 15.070 0.180 -28.392 1.00 0.00 C ATOM 518 C PHE A 110 14.909 -0.278 -29.834 1.00 0.00 C ATOM 519 O PHE A 110 14.043 -1.099 -30.139 1.00 0.00 O ATOM 520 CB PHE A 110 15.941 -0.816 -27.627 1.00 0.00 C ATOM 521 CG PHE A 110 15.071 -1.896 -27.029 1.00 0.00 C ATOM 522 CD1 PHE A 110 14.332 -1.634 -25.869 1.00 0.00 C ATOM 523 CD2 PHE A 110 15.000 -3.157 -27.634 1.00 0.00 C ATOM 524 CE1 PHE A 110 13.524 -2.631 -25.312 1.00 0.00 C ATOM 525 CE2 PHE A 110 14.189 -4.155 -27.076 1.00 0.00 C ATOM 526 CZ PHE A 110 13.453 -3.892 -25.916 1.00 0.00 C ATOM 0 H PHE A 110 13.318 -0.592 -27.528 1.00 0.00 H new ATOM 0 HA PHE A 110 15.550 1.159 -28.391 1.00 0.00 H new ATOM 0 HB2 PHE A 110 16.679 -1.258 -28.297 1.00 0.00 H new ATOM 0 HB3 PHE A 110 16.493 -0.302 -26.840 1.00 0.00 H new ATOM 0 HD1 PHE A 110 14.386 -0.661 -25.404 1.00 0.00 H new ATOM 0 HD2 PHE A 110 15.569 -3.360 -28.529 1.00 0.00 H new ATOM 0 HE1 PHE A 110 12.955 -2.428 -24.417 1.00 0.00 H new ATOM 0 HE2 PHE A 110 14.132 -5.128 -27.542 1.00 0.00 H new ATOM 0 HZ PHE A 110 12.830 -4.662 -25.486 1.00 0.00 H new ATOM 536 N ILE A 111 15.747 0.261 -30.717 1.00 0.00 N ATOM 537 CA ILE A 111 15.677 -0.094 -32.128 1.00 0.00 C ATOM 538 C ILE A 111 16.976 -0.755 -32.572 1.00 0.00 C ATOM 539 O ILE A 111 18.057 -0.175 -32.445 1.00 0.00 O ATOM 540 CB ILE A 111 15.434 1.161 -32.969 1.00 0.00 C ATOM 541 CG1 ILE A 111 14.264 1.952 -32.377 1.00 0.00 C ATOM 542 CG2 ILE A 111 15.083 0.753 -34.404 1.00 0.00 C ATOM 543 CD1 ILE A 111 14.064 3.245 -33.171 1.00 0.00 C ATOM 0 H ILE A 111 16.474 0.937 -30.482 1.00 0.00 H new ATOM 0 HA ILE A 111 14.853 -0.794 -32.270 1.00 0.00 H new ATOM 0 HB ILE A 111 16.334 1.776 -32.969 1.00 0.00 H new ATOM 0 HG12 ILE A 111 13.355 1.352 -32.405 1.00 0.00 H new ATOM 0 HG13 ILE A 111 14.461 2.183 -31.330 1.00 0.00 H new ATOM 0 HG21 ILE A 111 14.910 1.646 -35.004 1.00 0.00 H new ATOM 0 HG22 ILE A 111 15.907 0.183 -34.832 1.00 0.00 H new ATOM 0 HG23 ILE A 111 14.182 0.140 -34.398 1.00 0.00 H new ATOM 0 HD11 ILE A 111 13.231 3.806 -32.748 1.00 0.00 H new ATOM 0 HD12 ILE A 111 14.971 3.847 -33.120 1.00 0.00 H new ATOM 0 HD13 ILE A 111 13.848 3.003 -34.212 1.00 0.00 H new ATOM 555 N SER A 112 16.864 -1.971 -33.101 1.00 0.00 N ATOM 556 CA SER A 112 18.031 -2.698 -33.562 1.00 0.00 C ATOM 557 C SER A 112 18.660 -2.000 -34.768 1.00 0.00 C ATOM 558 O SER A 112 17.970 -1.313 -35.520 1.00 0.00 O ATOM 559 CB SER A 112 17.640 -4.128 -33.946 1.00 0.00 C ATOM 560 OG SER A 112 17.293 -4.848 -32.774 1.00 0.00 O ATOM 0 H SER A 112 15.980 -2.466 -33.218 1.00 0.00 H new ATOM 0 HA SER A 112 18.759 -2.725 -32.752 1.00 0.00 H new ATOM 0 HB2 SER A 112 16.800 -4.114 -34.640 1.00 0.00 H new ATOM 0 HB3 SER A 112 18.468 -4.619 -34.457 1.00 0.00 H new ATOM 0 HG SER A 112 17.975 -4.702 -32.086 1.00 0.00 H new ATOM 566 N PRO A 113 19.941 -2.172 -34.966 1.00 0.00 N ATOM 567 CA PRO A 113 20.671 -1.548 -36.104 1.00 0.00 C ATOM 568 C PRO A 113 19.934 -1.736 -37.428 1.00 0.00 C ATOM 569 O PRO A 113 20.012 -0.887 -38.316 1.00 0.00 O ATOM 570 CB PRO A 113 22.003 -2.305 -36.125 1.00 0.00 C ATOM 571 CG PRO A 113 22.214 -2.787 -34.729 1.00 0.00 C ATOM 572 CD PRO A 113 20.841 -2.966 -34.108 1.00 0.00 C ATOM 0 HA PRO A 113 20.779 -0.470 -35.983 1.00 0.00 H new ATOM 0 HB2 PRO A 113 21.969 -3.139 -36.826 1.00 0.00 H new ATOM 0 HB3 PRO A 113 22.818 -1.655 -36.442 1.00 0.00 H new ATOM 0 HG2 PRO A 113 22.764 -3.728 -34.725 1.00 0.00 H new ATOM 0 HG3 PRO A 113 22.804 -2.070 -34.159 1.00 0.00 H new ATOM 0 HD2 PRO A 113 20.548 -4.016 -34.089 1.00 0.00 H new ATOM 0 HD3 PRO A 113 20.822 -2.611 -33.078 1.00 0.00 H new ATOM 580 N GLN A 114 19.218 -2.848 -37.556 1.00 0.00 N ATOM 581 CA GLN A 114 18.479 -3.131 -38.782 1.00 0.00 C ATOM 582 C GLN A 114 17.297 -2.183 -38.929 1.00 0.00 C ATOM 583 O GLN A 114 16.652 -2.142 -39.977 1.00 0.00 O ATOM 584 CB GLN A 114 17.975 -4.578 -38.761 1.00 0.00 C ATOM 585 CG GLN A 114 19.167 -5.540 -38.835 1.00 0.00 C ATOM 586 CD GLN A 114 19.676 -5.849 -37.433 1.00 0.00 C ATOM 587 OE1 GLN A 114 19.432 -5.086 -36.502 1.00 0.00 O ATOM 588 NE2 GLN A 114 20.377 -6.928 -37.227 1.00 0.00 N ATOM 0 H GLN A 114 19.133 -3.563 -36.833 1.00 0.00 H new ATOM 0 HA GLN A 114 19.149 -2.988 -39.630 1.00 0.00 H new ATOM 0 HB2 GLN A 114 17.403 -4.761 -37.851 1.00 0.00 H new ATOM 0 HB3 GLN A 114 17.302 -4.751 -39.601 1.00 0.00 H new ATOM 0 HG2 GLN A 114 18.870 -6.462 -39.334 1.00 0.00 H new ATOM 0 HG3 GLN A 114 19.965 -5.098 -39.431 1.00 0.00 H new ATOM 0 HE21 GLN A 114 20.579 -7.561 -38.001 1.00 0.00 H new ATOM 0 HE22 GLN A 114 20.724 -7.140 -36.292 1.00 0.00 H new ATOM 597 N GLY A 115 17.026 -1.416 -37.883 1.00 0.00 N ATOM 598 CA GLY A 115 15.924 -0.463 -37.911 1.00 0.00 C ATOM 599 C GLY A 115 14.644 -1.085 -37.366 1.00 0.00 C ATOM 600 O GLY A 115 13.566 -0.500 -37.468 1.00 0.00 O ATOM 0 H GLY A 115 17.550 -1.434 -37.008 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.184 0.416 -37.321 1.00 0.00 H new ATOM 0 HA3 GLY A 115 15.760 -0.123 -38.933 1.00 0.00 H new ATOM 604 N LEU A 116 14.772 -2.274 -36.787 1.00 0.00 N ATOM 605 CA LEU A 116 13.620 -2.963 -36.225 1.00 0.00 C ATOM 606 C LEU A 116 13.343 -2.479 -34.807 1.00 0.00 C ATOM 607 O LEU A 116 14.266 -2.302 -34.012 1.00 0.00 O ATOM 608 CB LEU A 116 13.868 -4.474 -36.211 1.00 0.00 C ATOM 609 CG LEU A 116 13.304 -5.101 -37.487 1.00 0.00 C ATOM 610 CD1 LEU A 116 11.778 -4.982 -37.488 1.00 0.00 C ATOM 611 CD2 LEU A 116 13.872 -4.367 -38.705 1.00 0.00 C ATOM 0 H LEU A 116 15.655 -2.776 -36.696 1.00 0.00 H new ATOM 0 HA LEU A 116 12.752 -2.743 -36.847 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.936 -4.676 -36.137 1.00 0.00 H new ATOM 0 HB3 LEU A 116 13.397 -4.921 -35.336 1.00 0.00 H new ATOM 0 HG LEU A 116 13.584 -6.154 -37.529 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.379 -5.429 -38.398 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.372 -5.501 -36.620 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.495 -3.930 -37.447 1.00 0.00 H new ATOM 0 HD21 LEU A 116 13.472 -4.811 -39.617 1.00 0.00 H new ATOM 0 HD22 LEU A 116 13.590 -3.315 -38.660 1.00 0.00 H new ATOM 0 HD23 LEU A 116 14.959 -4.452 -38.707 1.00 0.00 H new ATOM 623 N LYS A 117 12.067 -2.256 -34.497 1.00 0.00 N ATOM 624 CA LYS A 117 11.692 -1.774 -33.174 1.00 0.00 C ATOM 625 C LYS A 117 11.318 -2.941 -32.267 1.00 0.00 C ATOM 626 O LYS A 117 10.600 -3.853 -32.676 1.00 0.00 O ATOM 627 CB LYS A 117 10.499 -0.826 -33.293 1.00 0.00 C ATOM 628 CG LYS A 117 10.837 0.303 -34.271 1.00 0.00 C ATOM 629 CD LYS A 117 9.585 1.140 -34.552 1.00 0.00 C ATOM 630 CE LYS A 117 9.286 2.043 -33.355 1.00 0.00 C ATOM 631 NZ LYS A 117 8.212 3.007 -33.717 1.00 0.00 N ATOM 0 H LYS A 117 11.286 -2.400 -35.137 1.00 0.00 H new ATOM 0 HA LYS A 117 12.543 -1.247 -32.741 1.00 0.00 H new ATOM 0 HB2 LYS A 117 9.621 -1.371 -33.640 1.00 0.00 H new ATOM 0 HB3 LYS A 117 10.251 -0.412 -32.315 1.00 0.00 H new ATOM 0 HG2 LYS A 117 11.622 0.935 -33.854 1.00 0.00 H new ATOM 0 HG3 LYS A 117 11.223 -0.113 -35.201 1.00 0.00 H new ATOM 0 HD2 LYS A 117 9.734 1.744 -35.447 1.00 0.00 H new ATOM 0 HD3 LYS A 117 8.735 0.486 -34.747 1.00 0.00 H new ATOM 0 HE2 LYS A 117 8.976 1.441 -32.500 1.00 0.00 H new ATOM 0 HE3 LYS A 117 10.186 2.580 -33.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 8.008 3.621 -32.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 8.524 3.589 -34.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 7.352 2.485 -33.981 1.00 0.00 H new ATOM 645 N PHE A 118 11.807 -2.901 -31.031 1.00 0.00 N ATOM 646 CA PHE A 118 11.511 -3.953 -30.067 1.00 0.00 C ATOM 647 C PHE A 118 11.152 -3.355 -28.713 1.00 0.00 C ATOM 648 O PHE A 118 11.821 -2.442 -28.231 1.00 0.00 O ATOM 649 CB PHE A 118 12.720 -4.878 -29.919 1.00 0.00 C ATOM 650 CG PHE A 118 12.992 -5.573 -31.230 1.00 0.00 C ATOM 651 CD1 PHE A 118 12.092 -6.531 -31.713 1.00 0.00 C ATOM 652 CD2 PHE A 118 14.143 -5.260 -31.965 1.00 0.00 C ATOM 653 CE1 PHE A 118 12.341 -7.176 -32.930 1.00 0.00 C ATOM 654 CE2 PHE A 118 14.392 -5.905 -33.181 1.00 0.00 C ATOM 655 CZ PHE A 118 13.491 -6.864 -33.664 1.00 0.00 C ATOM 0 H PHE A 118 12.406 -2.156 -30.676 1.00 0.00 H new ATOM 0 HA PHE A 118 10.659 -4.526 -30.432 1.00 0.00 H new ATOM 0 HB2 PHE A 118 13.594 -4.304 -29.613 1.00 0.00 H new ATOM 0 HB3 PHE A 118 12.533 -5.615 -29.138 1.00 0.00 H new ATOM 0 HD1 PHE A 118 11.205 -6.772 -31.146 1.00 0.00 H new ATOM 0 HD2 PHE A 118 14.837 -4.521 -31.593 1.00 0.00 H new ATOM 0 HE1 PHE A 118 11.646 -7.914 -33.302 1.00 0.00 H new ATOM 0 HE2 PHE A 118 15.279 -5.664 -33.748 1.00 0.00 H new ATOM 0 HZ PHE A 118 13.684 -7.362 -34.603 1.00 0.00 H new ATOM 665 N ARG A 119 10.096 -3.881 -28.100 1.00 0.00 N ATOM 666 CA ARG A 119 9.660 -3.396 -26.796 1.00 0.00 C ATOM 667 C ARG A 119 9.329 -4.562 -25.872 1.00 0.00 C ATOM 668 O ARG A 119 8.867 -4.361 -24.749 1.00 0.00 O ATOM 669 CB ARG A 119 8.429 -2.502 -26.955 1.00 0.00 C ATOM 670 CG ARG A 119 7.785 -2.756 -28.319 1.00 0.00 C ATOM 671 CD ARG A 119 6.427 -2.056 -28.381 1.00 0.00 C ATOM 672 NE ARG A 119 5.352 -3.041 -28.375 1.00 0.00 N ATOM 673 CZ ARG A 119 4.138 -2.734 -27.930 1.00 0.00 C ATOM 674 NH1 ARG A 119 3.891 -1.528 -27.498 1.00 0.00 N ATOM 675 NH2 ARG A 119 3.191 -3.629 -27.949 1.00 0.00 N ATOM 0 H ARG A 119 9.530 -4.638 -28.483 1.00 0.00 H new ATOM 0 HA ARG A 119 10.473 -2.819 -26.355 1.00 0.00 H new ATOM 0 HB2 ARG A 119 7.713 -2.707 -26.159 1.00 0.00 H new ATOM 0 HB3 ARG A 119 8.714 -1.454 -26.865 1.00 0.00 H new ATOM 0 HG2 ARG A 119 8.433 -2.386 -29.113 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.662 -3.827 -28.481 1.00 0.00 H new ATOM 0 HD2 ARG A 119 6.318 -1.383 -27.531 1.00 0.00 H new ATOM 0 HD3 ARG A 119 6.365 -1.445 -29.282 1.00 0.00 H new ATOM 0 HE ARG A 119 5.535 -3.984 -28.719 1.00 0.00 H new ATOM 0 HH11 ARG A 119 4.629 -0.824 -27.502 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.960 -1.289 -27.156 1.00 0.00 H new ATOM 0 HH21 ARG A 119 3.381 -4.566 -28.305 1.00 0.00 H new ATOM 0 HH22 ARG A 119 2.259 -3.393 -27.607 1.00 0.00 H new ATOM 689 N SER A 120 9.572 -5.778 -26.351 1.00 0.00 N ATOM 690 CA SER A 120 9.299 -6.970 -25.557 1.00 0.00 C ATOM 691 C SER A 120 10.508 -7.900 -25.555 1.00 0.00 C ATOM 692 O SER A 120 11.239 -7.986 -26.540 1.00 0.00 O ATOM 693 CB SER A 120 8.084 -7.707 -26.123 1.00 0.00 C ATOM 694 OG SER A 120 6.947 -6.856 -26.056 1.00 0.00 O ATOM 0 H SER A 120 9.955 -5.963 -27.278 1.00 0.00 H new ATOM 0 HA SER A 120 9.091 -6.663 -24.532 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.271 -8.002 -27.155 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.903 -8.621 -25.558 1.00 0.00 H new ATOM 0 HG SER A 120 6.166 -7.324 -26.419 1.00 0.00 H new ATOM 700 N LYS A 121 10.707 -8.597 -24.444 1.00 0.00 N ATOM 701 CA LYS A 121 11.826 -9.523 -24.325 1.00 0.00 C ATOM 702 C LYS A 121 11.608 -10.745 -25.212 1.00 0.00 C ATOM 703 O LYS A 121 12.540 -11.228 -25.857 1.00 0.00 O ATOM 704 CB LYS A 121 11.986 -9.968 -22.868 1.00 0.00 C ATOM 705 CG LYS A 121 10.605 -10.112 -22.221 1.00 0.00 C ATOM 706 CD LYS A 121 10.293 -8.854 -21.405 1.00 0.00 C ATOM 707 CE LYS A 121 8.846 -8.916 -20.908 1.00 0.00 C ATOM 708 NZ LYS A 121 8.713 -10.011 -19.908 1.00 0.00 N ATOM 0 H LYS A 121 10.113 -8.540 -23.617 1.00 0.00 H new ATOM 0 HA LYS A 121 12.732 -9.011 -24.649 1.00 0.00 H new ATOM 0 HB2 LYS A 121 12.521 -10.917 -22.823 1.00 0.00 H new ATOM 0 HB3 LYS A 121 12.582 -9.240 -22.318 1.00 0.00 H new ATOM 0 HG2 LYS A 121 9.845 -10.259 -22.988 1.00 0.00 H new ATOM 0 HG3 LYS A 121 10.582 -10.991 -21.577 1.00 0.00 H new ATOM 0 HD2 LYS A 121 10.977 -8.777 -20.559 1.00 0.00 H new ATOM 0 HD3 LYS A 121 10.441 -7.964 -22.017 1.00 0.00 H new ATOM 0 HE2 LYS A 121 8.563 -7.963 -20.460 1.00 0.00 H new ATOM 0 HE3 LYS A 121 8.169 -9.089 -21.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 7.797 -9.928 -19.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 8.767 -10.931 -20.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 9.482 -9.940 -19.211 1.00 0.00 H new ATOM 722 N SER A 122 10.372 -11.244 -25.233 1.00 0.00 N ATOM 723 CA SER A 122 10.055 -12.418 -26.043 1.00 0.00 C ATOM 724 C SER A 122 10.276 -12.120 -27.523 1.00 0.00 C ATOM 725 O SER A 122 10.992 -12.844 -28.210 1.00 0.00 O ATOM 726 CB SER A 122 8.597 -12.817 -25.817 1.00 0.00 C ATOM 727 OG SER A 122 8.429 -13.226 -24.465 1.00 0.00 O ATOM 0 H SER A 122 9.586 -10.861 -24.708 1.00 0.00 H new ATOM 0 HA SER A 122 10.711 -13.236 -25.746 1.00 0.00 H new ATOM 0 HB2 SER A 122 7.939 -11.977 -26.040 1.00 0.00 H new ATOM 0 HB3 SER A 122 8.320 -13.627 -26.492 1.00 0.00 H new ATOM 0 HG SER A 122 7.495 -13.481 -24.314 1.00 0.00 H new ATOM 733 N SER A 123 9.665 -11.041 -28.004 1.00 0.00 N ATOM 734 CA SER A 123 9.805 -10.662 -29.407 1.00 0.00 C ATOM 735 C SER A 123 11.277 -10.527 -29.769 1.00 0.00 C ATOM 736 O SER A 123 11.714 -11.011 -30.812 1.00 0.00 O ATOM 737 CB SER A 123 9.098 -9.328 -29.655 1.00 0.00 C ATOM 738 OG SER A 123 9.247 -8.962 -31.019 1.00 0.00 O ATOM 0 H SER A 123 9.075 -10.420 -27.451 1.00 0.00 H new ATOM 0 HA SER A 123 9.353 -11.436 -30.027 1.00 0.00 H new ATOM 0 HB2 SER A 123 8.041 -9.412 -29.403 1.00 0.00 H new ATOM 0 HB3 SER A 123 9.519 -8.555 -29.012 1.00 0.00 H new ATOM 0 HG SER A 123 8.793 -8.108 -31.180 1.00 0.00 H new ATOM 744 N LEU A 124 12.042 -9.880 -28.896 1.00 0.00 N ATOM 745 CA LEU A 124 13.467 -9.701 -29.137 1.00 0.00 C ATOM 746 C LEU A 124 14.166 -11.055 -29.237 1.00 0.00 C ATOM 747 O LEU A 124 14.983 -11.277 -30.132 1.00 0.00 O ATOM 748 CB LEU A 124 14.090 -8.880 -28.004 1.00 0.00 C ATOM 749 CG LEU A 124 15.590 -8.698 -28.260 1.00 0.00 C ATOM 750 CD1 LEU A 124 15.795 -7.956 -29.582 1.00 0.00 C ATOM 751 CD2 LEU A 124 16.204 -7.888 -27.122 1.00 0.00 C ATOM 0 H LEU A 124 11.702 -9.475 -28.024 1.00 0.00 H new ATOM 0 HA LEU A 124 13.595 -9.169 -30.080 1.00 0.00 H new ATOM 0 HB2 LEU A 124 13.602 -7.907 -27.937 1.00 0.00 H new ATOM 0 HB3 LEU A 124 13.933 -9.382 -27.049 1.00 0.00 H new ATOM 0 HG LEU A 124 16.071 -9.674 -28.313 1.00 0.00 H new ATOM 0 HD11 LEU A 124 16.862 -7.826 -29.765 1.00 0.00 H new ATOM 0 HD12 LEU A 124 15.355 -8.533 -30.395 1.00 0.00 H new ATOM 0 HD13 LEU A 124 15.314 -6.979 -29.529 1.00 0.00 H new ATOM 0 HD21 LEU A 124 17.271 -7.758 -27.303 1.00 0.00 H new ATOM 0 HD22 LEU A 124 15.723 -6.911 -27.070 1.00 0.00 H new ATOM 0 HD23 LEU A 124 16.057 -8.416 -26.180 1.00 0.00 H new ATOM 763 N ALA A 125 13.843 -11.952 -28.314 1.00 0.00 N ATOM 764 CA ALA A 125 14.441 -13.282 -28.310 1.00 0.00 C ATOM 765 C ALA A 125 14.054 -14.038 -29.578 1.00 0.00 C ATOM 766 O ALA A 125 14.771 -14.933 -30.025 1.00 0.00 O ATOM 767 CB ALA A 125 13.977 -14.062 -27.080 1.00 0.00 C ATOM 0 H ALA A 125 13.174 -11.785 -27.562 1.00 0.00 H new ATOM 0 HA ALA A 125 15.525 -13.177 -28.278 1.00 0.00 H new ATOM 0 HB1 ALA A 125 14.429 -15.054 -27.086 1.00 0.00 H new ATOM 0 HB2 ALA A 125 14.279 -13.531 -26.177 1.00 0.00 H new ATOM 0 HB3 ALA A 125 12.891 -14.158 -27.098 1.00 0.00 H new ATOM 773 N ASN A 126 12.909 -13.672 -30.153 1.00 0.00 N ATOM 774 CA ASN A 126 12.435 -14.316 -31.375 1.00 0.00 C ATOM 775 C ASN A 126 13.138 -13.729 -32.594 1.00 0.00 C ATOM 776 O ASN A 126 13.557 -14.455 -33.491 1.00 0.00 O ATOM 777 CB ASN A 126 10.924 -14.137 -31.510 1.00 0.00 C ATOM 778 CG ASN A 126 10.377 -15.106 -32.551 1.00 0.00 C ATOM 779 OD1 ASN A 126 10.838 -16.242 -32.645 1.00 0.00 O ATOM 780 ND2 ASN A 126 9.417 -14.719 -33.345 1.00 0.00 N ATOM 0 H ASN A 126 12.297 -12.939 -29.795 1.00 0.00 H new ATOM 0 HA ASN A 126 12.665 -15.380 -31.317 1.00 0.00 H new ATOM 0 HB2 ASN A 126 10.441 -14.312 -30.549 1.00 0.00 H new ATOM 0 HB3 ASN A 126 10.695 -13.111 -31.800 1.00 0.00 H new ATOM 0 HD21 ASN A 126 9.046 -15.360 -34.047 1.00 0.00 H new ATOM 0 HD22 ASN A 126 9.037 -13.776 -33.264 1.00 0.00 H new ATOM 787 N TYR A 127 13.271 -12.407 -32.613 1.00 0.00 N ATOM 788 CA TYR A 127 13.940 -11.731 -33.715 1.00 0.00 C ATOM 789 C TYR A 127 15.379 -12.213 -33.842 1.00 0.00 C ATOM 790 O TYR A 127 15.845 -12.532 -34.937 1.00 0.00 O ATOM 791 CB TYR A 127 13.921 -10.217 -33.492 1.00 0.00 C ATOM 792 CG TYR A 127 15.004 -9.572 -34.324 1.00 0.00 C ATOM 793 CD1 TYR A 127 14.874 -9.496 -35.715 1.00 0.00 C ATOM 794 CD2 TYR A 127 16.143 -9.047 -33.698 1.00 0.00 C ATOM 795 CE1 TYR A 127 15.883 -8.897 -36.479 1.00 0.00 C ATOM 796 CE2 TYR A 127 17.150 -8.450 -34.461 1.00 0.00 C ATOM 797 CZ TYR A 127 17.021 -8.373 -35.852 1.00 0.00 C ATOM 798 OH TYR A 127 18.014 -7.784 -36.608 1.00 0.00 O ATOM 0 H TYR A 127 12.926 -11.786 -31.881 1.00 0.00 H new ATOM 0 HA TYR A 127 13.408 -11.965 -34.637 1.00 0.00 H new ATOM 0 HB2 TYR A 127 12.947 -9.811 -33.765 1.00 0.00 H new ATOM 0 HB3 TYR A 127 14.076 -9.992 -32.437 1.00 0.00 H new ATOM 0 HD1 TYR A 127 13.996 -9.899 -36.199 1.00 0.00 H new ATOM 0 HD2 TYR A 127 16.242 -9.104 -32.624 1.00 0.00 H new ATOM 0 HE1 TYR A 127 15.784 -8.839 -37.553 1.00 0.00 H new ATOM 0 HE2 TYR A 127 18.028 -8.048 -33.977 1.00 0.00 H new ATOM 0 HH TYR A 127 17.674 -7.599 -37.508 1.00 0.00 H new ATOM 808 N LEU A 128 16.084 -12.258 -32.713 1.00 0.00 N ATOM 809 CA LEU A 128 17.477 -12.696 -32.716 1.00 0.00 C ATOM 810 C LEU A 128 17.579 -14.147 -33.178 1.00 0.00 C ATOM 811 O LEU A 128 18.423 -14.487 -34.004 1.00 0.00 O ATOM 812 CB LEU A 128 18.058 -12.571 -31.304 1.00 0.00 C ATOM 813 CG LEU A 128 18.092 -11.095 -30.896 1.00 0.00 C ATOM 814 CD1 LEU A 128 18.547 -10.978 -29.441 1.00 0.00 C ATOM 815 CD2 LEU A 128 19.066 -10.332 -31.798 1.00 0.00 C ATOM 0 H LEU A 128 15.719 -12.000 -31.796 1.00 0.00 H new ATOM 0 HA LEU A 128 18.040 -12.065 -33.404 1.00 0.00 H new ATOM 0 HB2 LEU A 128 17.453 -13.141 -30.598 1.00 0.00 H new ATOM 0 HB3 LEU A 128 19.063 -12.991 -31.274 1.00 0.00 H new ATOM 0 HG LEU A 128 17.094 -10.669 -31.001 1.00 0.00 H new ATOM 0 HD11 LEU A 128 18.571 -9.928 -29.151 1.00 0.00 H new ATOM 0 HD12 LEU A 128 17.851 -11.516 -28.798 1.00 0.00 H new ATOM 0 HD13 LEU A 128 19.544 -11.407 -29.336 1.00 0.00 H new ATOM 0 HD21 LEU A 128 19.087 -9.282 -31.505 1.00 0.00 H new ATOM 0 HD22 LEU A 128 20.065 -10.757 -31.697 1.00 0.00 H new ATOM 0 HD23 LEU A 128 18.740 -10.412 -32.835 1.00 0.00 H new ATOM 827 N HIS A 129 16.704 -14.993 -32.648 1.00 0.00 N ATOM 828 CA HIS A 129 16.692 -16.403 -33.019 1.00 0.00 C ATOM 829 C HIS A 129 16.333 -16.562 -34.494 1.00 0.00 C ATOM 830 O HIS A 129 16.796 -17.487 -35.161 1.00 0.00 O ATOM 831 CB HIS A 129 15.687 -17.169 -32.158 1.00 0.00 C ATOM 832 CG HIS A 129 15.747 -18.632 -32.500 1.00 0.00 C ATOM 833 ND1 HIS A 129 16.833 -19.428 -32.161 1.00 0.00 N ATOM 834 CD2 HIS A 129 14.865 -19.461 -33.147 1.00 0.00 C ATOM 835 CE1 HIS A 129 16.577 -20.672 -32.602 1.00 0.00 C ATOM 836 NE2 HIS A 129 15.390 -20.748 -33.211 1.00 0.00 N ATOM 0 H HIS A 129 15.996 -14.729 -31.963 1.00 0.00 H new ATOM 0 HA HIS A 129 17.689 -16.811 -32.851 1.00 0.00 H new ATOM 0 HB2 HIS A 129 15.911 -17.022 -31.101 1.00 0.00 H new ATOM 0 HB3 HIS A 129 14.681 -16.786 -32.327 1.00 0.00 H new ATOM 0 HD2 HIS A 129 13.908 -19.160 -33.546 1.00 0.00 H new ATOM 0 HE1 HIS A 129 17.249 -21.508 -32.479 1.00 0.00 H new ATOM 0 HE2 HIS A 129 14.961 -21.572 -33.632 1.00 0.00 H new ATOM 845 N LYS A 130 15.495 -15.659 -34.993 1.00 0.00 N ATOM 846 CA LYS A 130 15.073 -15.705 -36.386 1.00 0.00 C ATOM 847 C LYS A 130 16.267 -15.506 -37.318 1.00 0.00 C ATOM 848 O LYS A 130 16.381 -16.169 -38.348 1.00 0.00 O ATOM 849 CB LYS A 130 14.021 -14.627 -36.652 1.00 0.00 C ATOM 850 CG LYS A 130 13.525 -14.742 -38.097 1.00 0.00 C ATOM 851 CD LYS A 130 12.446 -13.688 -38.350 1.00 0.00 C ATOM 852 CE LYS A 130 11.944 -13.808 -39.790 1.00 0.00 C ATOM 853 NZ LYS A 130 10.894 -12.780 -40.038 1.00 0.00 N ATOM 0 H LYS A 130 15.097 -14.890 -34.455 1.00 0.00 H new ATOM 0 HA LYS A 130 14.639 -16.686 -36.581 1.00 0.00 H new ATOM 0 HB2 LYS A 130 13.187 -14.740 -35.960 1.00 0.00 H new ATOM 0 HB3 LYS A 130 14.447 -13.638 -36.480 1.00 0.00 H new ATOM 0 HG2 LYS A 130 14.355 -14.602 -38.790 1.00 0.00 H new ATOM 0 HG3 LYS A 130 13.124 -15.739 -38.277 1.00 0.00 H new ATOM 0 HD2 LYS A 130 11.619 -13.824 -37.653 1.00 0.00 H new ATOM 0 HD3 LYS A 130 12.849 -12.690 -38.176 1.00 0.00 H new ATOM 0 HE2 LYS A 130 12.771 -13.674 -40.487 1.00 0.00 H new ATOM 0 HE3 LYS A 130 11.540 -14.805 -39.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 10.553 -12.862 -41.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 10.101 -12.928 -39.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 11.294 -11.832 -39.889 1.00 0.00 H new ATOM 867 N ASN A 131 17.145 -14.578 -36.952 1.00 0.00 N ATOM 868 CA ASN A 131 18.321 -14.291 -37.766 1.00 0.00 C ATOM 869 C ASN A 131 19.385 -15.363 -37.566 1.00 0.00 C ATOM 870 O ASN A 131 20.427 -15.348 -38.219 1.00 0.00 O ATOM 871 CB ASN A 131 18.894 -12.922 -37.393 1.00 0.00 C ATOM 872 CG ASN A 131 19.932 -12.492 -38.424 1.00 0.00 C ATOM 873 OD1 ASN A 131 21.019 -13.068 -38.488 1.00 0.00 O ATOM 874 ND2 ASN A 131 19.660 -11.512 -39.240 1.00 0.00 N ATOM 0 H ASN A 131 17.066 -14.016 -36.104 1.00 0.00 H new ATOM 0 HA ASN A 131 18.022 -14.285 -38.814 1.00 0.00 H new ATOM 0 HB2 ASN A 131 18.093 -12.185 -37.342 1.00 0.00 H new ATOM 0 HB3 ASN A 131 19.349 -12.966 -36.404 1.00 0.00 H new ATOM 0 HD21 ASN A 131 20.348 -11.220 -39.934 1.00 0.00 H new ATOM 0 HD22 ASN A 131 18.759 -11.037 -39.184 1.00 0.00 H new ATOM 881 N GLY A 132 19.112 -16.298 -36.660 1.00 0.00 N ATOM 882 CA GLY A 132 20.051 -17.379 -36.385 1.00 0.00 C ATOM 883 C GLY A 132 21.023 -16.989 -35.279 1.00 0.00 C ATOM 884 O GLY A 132 21.785 -17.821 -34.788 1.00 0.00 O ATOM 0 H GLY A 132 18.255 -16.329 -36.108 1.00 0.00 H new ATOM 0 HA2 GLY A 132 19.504 -18.276 -36.094 1.00 0.00 H new ATOM 0 HA3 GLY A 132 20.605 -17.624 -37.291 1.00 0.00 H new ATOM 888 N GLU A 133 20.988 -15.719 -34.886 1.00 0.00 N ATOM 889 CA GLU A 133 21.872 -15.232 -33.833 1.00 0.00 C ATOM 890 C GLU A 133 21.210 -15.394 -32.469 1.00 0.00 C ATOM 891 O GLU A 133 20.133 -14.852 -32.225 1.00 0.00 O ATOM 892 CB GLU A 133 22.203 -13.757 -34.071 1.00 0.00 C ATOM 893 CG GLU A 133 23.213 -13.286 -33.024 1.00 0.00 C ATOM 894 CD GLU A 133 23.636 -11.850 -33.317 1.00 0.00 C ATOM 895 OE1 GLU A 133 23.148 -11.297 -34.289 1.00 0.00 O ATOM 896 OE2 GLU A 133 24.444 -11.326 -32.566 1.00 0.00 O ATOM 0 H GLU A 133 20.363 -15.014 -35.277 1.00 0.00 H new ATOM 0 HA GLU A 133 22.792 -15.817 -33.852 1.00 0.00 H new ATOM 0 HB2 GLU A 133 22.611 -13.622 -35.072 1.00 0.00 H new ATOM 0 HB3 GLU A 133 21.296 -13.156 -34.013 1.00 0.00 H new ATOM 0 HG2 GLU A 133 22.773 -13.349 -32.029 1.00 0.00 H new ATOM 0 HG3 GLU A 133 24.086 -13.939 -33.029 1.00 0.00 H new ATOM 903 N THR A 134 21.864 -16.145 -31.587 1.00 0.00 N ATOM 904 CA THR A 134 21.332 -16.378 -30.249 1.00 0.00 C ATOM 905 C THR A 134 22.303 -15.869 -29.189 1.00 0.00 C ATOM 906 O THR A 134 22.043 -15.983 -27.991 1.00 0.00 O ATOM 907 CB THR A 134 21.078 -17.871 -30.042 1.00 0.00 C ATOM 908 OG1 THR A 134 22.298 -18.583 -30.193 1.00 0.00 O ATOM 909 CG2 THR A 134 20.063 -18.367 -31.073 1.00 0.00 C ATOM 0 H THR A 134 22.758 -16.600 -31.774 1.00 0.00 H new ATOM 0 HA THR A 134 20.392 -15.834 -30.151 1.00 0.00 H new ATOM 0 HB THR A 134 20.683 -18.037 -29.040 1.00 0.00 H new ATOM 0 HG1 THR A 134 22.137 -19.540 -30.059 1.00 0.00 H new ATOM 0 HG21 THR A 134 19.883 -19.432 -30.924 1.00 0.00 H new ATOM 0 HG22 THR A 134 19.127 -17.821 -30.954 1.00 0.00 H new ATOM 0 HG23 THR A 134 20.454 -18.202 -32.077 1.00 0.00 H new ATOM 917 N SER A 135 23.425 -15.316 -29.637 1.00 0.00 N ATOM 918 CA SER A 135 24.430 -14.798 -28.716 1.00 0.00 C ATOM 919 C SER A 135 23.852 -13.668 -27.871 1.00 0.00 C ATOM 920 O SER A 135 24.072 -13.609 -26.661 1.00 0.00 O ATOM 921 CB SER A 135 25.643 -14.292 -29.497 1.00 0.00 C ATOM 922 OG SER A 135 26.609 -13.782 -28.587 1.00 0.00 O ATOM 0 H SER A 135 23.660 -15.215 -30.624 1.00 0.00 H new ATOM 0 HA SER A 135 24.740 -15.606 -28.053 1.00 0.00 H new ATOM 0 HB2 SER A 135 26.074 -15.101 -30.086 1.00 0.00 H new ATOM 0 HB3 SER A 135 25.340 -13.514 -30.197 1.00 0.00 H new ATOM 0 HG SER A 135 27.389 -13.458 -29.085 1.00 0.00 H new ATOM 928 N LEU A 136 23.117 -12.772 -28.518 1.00 0.00 N ATOM 929 CA LEU A 136 22.516 -11.645 -27.817 1.00 0.00 C ATOM 930 C LEU A 136 21.352 -12.114 -26.956 1.00 0.00 C ATOM 931 O LEU A 136 20.509 -12.886 -27.409 1.00 0.00 O ATOM 932 CB LEU A 136 22.017 -10.605 -28.828 1.00 0.00 C ATOM 933 CG LEU A 136 23.172 -9.680 -29.223 1.00 0.00 C ATOM 934 CD1 LEU A 136 23.562 -8.801 -28.031 1.00 0.00 C ATOM 935 CD2 LEU A 136 24.378 -10.526 -29.649 1.00 0.00 C ATOM 0 H LEU A 136 22.924 -12.803 -29.519 1.00 0.00 H new ATOM 0 HA LEU A 136 23.273 -11.194 -27.175 1.00 0.00 H new ATOM 0 HB2 LEU A 136 21.618 -11.104 -29.711 1.00 0.00 H new ATOM 0 HB3 LEU A 136 21.203 -10.023 -28.395 1.00 0.00 H new ATOM 0 HG LEU A 136 22.859 -9.045 -30.051 1.00 0.00 H new ATOM 0 HD11 LEU A 136 24.384 -8.145 -28.317 1.00 0.00 H new ATOM 0 HD12 LEU A 136 22.706 -8.199 -27.727 1.00 0.00 H new ATOM 0 HD13 LEU A 136 23.874 -9.433 -27.200 1.00 0.00 H new ATOM 0 HD21 LEU A 136 25.201 -9.870 -29.931 1.00 0.00 H new ATOM 0 HD22 LEU A 136 24.688 -11.162 -28.819 1.00 0.00 H new ATOM 0 HD23 LEU A 136 24.103 -11.149 -30.500 1.00 0.00 H new ATOM 947 N LYS A 137 21.320 -11.643 -25.713 1.00 0.00 N ATOM 948 CA LYS A 137 20.263 -12.023 -24.791 1.00 0.00 C ATOM 949 C LYS A 137 19.393 -10.820 -24.436 1.00 0.00 C ATOM 950 O LYS A 137 19.829 -9.679 -24.556 1.00 0.00 O ATOM 951 CB LYS A 137 20.862 -12.622 -23.516 1.00 0.00 C ATOM 952 CG LYS A 137 22.295 -12.123 -23.347 1.00 0.00 C ATOM 953 CD LYS A 137 22.853 -12.613 -22.010 1.00 0.00 C ATOM 954 CE LYS A 137 24.290 -12.118 -21.845 1.00 0.00 C ATOM 955 NZ LYS A 137 25.153 -12.744 -22.886 1.00 0.00 N ATOM 0 H LYS A 137 22.011 -11.001 -25.326 1.00 0.00 H new ATOM 0 HA LYS A 137 19.639 -12.771 -25.281 1.00 0.00 H new ATOM 0 HB2 LYS A 137 20.262 -12.339 -22.651 1.00 0.00 H new ATOM 0 HB3 LYS A 137 20.848 -13.711 -23.571 1.00 0.00 H new ATOM 0 HG2 LYS A 137 22.916 -12.485 -24.167 1.00 0.00 H new ATOM 0 HG3 LYS A 137 22.319 -11.034 -23.386 1.00 0.00 H new ATOM 0 HD2 LYS A 137 22.235 -12.248 -21.190 1.00 0.00 H new ATOM 0 HD3 LYS A 137 22.825 -13.702 -21.969 1.00 0.00 H new ATOM 0 HE2 LYS A 137 24.324 -11.032 -21.934 1.00 0.00 H new ATOM 0 HE3 LYS A 137 24.661 -12.369 -20.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 26.150 -12.678 -22.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 24.891 -13.744 -22.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 25.021 -12.248 -23.790 1.00 0.00 H new ATOM 969 N PRO A 138 18.193 -11.059 -23.984 1.00 0.00 N ATOM 970 CA PRO A 138 17.246 -9.974 -23.593 1.00 0.00 C ATOM 971 C PRO A 138 17.893 -8.968 -22.640 1.00 0.00 C ATOM 972 O PRO A 138 17.456 -7.827 -22.537 1.00 0.00 O ATOM 973 CB PRO A 138 16.109 -10.725 -22.893 1.00 0.00 C ATOM 974 CG PRO A 138 16.145 -12.108 -23.446 1.00 0.00 C ATOM 975 CD PRO A 138 17.594 -12.395 -23.807 1.00 0.00 C ATOM 0 HA PRO A 138 16.915 -9.388 -24.450 1.00 0.00 H new ATOM 0 HB2 PRO A 138 16.250 -10.731 -21.812 1.00 0.00 H new ATOM 0 HB3 PRO A 138 15.147 -10.250 -23.087 1.00 0.00 H new ATOM 0 HG2 PRO A 138 15.778 -12.828 -22.714 1.00 0.00 H new ATOM 0 HG3 PRO A 138 15.504 -12.191 -24.323 1.00 0.00 H new ATOM 0 HD2 PRO A 138 18.097 -12.956 -23.020 1.00 0.00 H new ATOM 0 HD3 PRO A 138 17.668 -12.989 -24.718 1.00 0.00 H new ATOM 983 N GLU A 139 18.929 -9.401 -21.938 1.00 0.00 N ATOM 984 CA GLU A 139 19.621 -8.530 -20.997 1.00 0.00 C ATOM 985 C GLU A 139 20.517 -7.541 -21.735 1.00 0.00 C ATOM 986 O GLU A 139 21.094 -6.640 -21.127 1.00 0.00 O ATOM 987 CB GLU A 139 20.467 -9.368 -20.035 1.00 0.00 C ATOM 988 CG GLU A 139 19.556 -10.300 -19.232 1.00 0.00 C ATOM 989 CD GLU A 139 18.662 -9.485 -18.304 1.00 0.00 C ATOM 990 OE1 GLU A 139 19.078 -9.231 -17.185 1.00 0.00 O ATOM 991 OE2 GLU A 139 17.577 -9.124 -18.725 1.00 0.00 O ATOM 0 H GLU A 139 19.309 -10.346 -22.001 1.00 0.00 H new ATOM 0 HA GLU A 139 18.873 -7.972 -20.434 1.00 0.00 H new ATOM 0 HB2 GLU A 139 21.200 -9.951 -20.592 1.00 0.00 H new ATOM 0 HB3 GLU A 139 21.023 -8.716 -19.361 1.00 0.00 H new ATOM 0 HG2 GLU A 139 18.944 -10.896 -19.909 1.00 0.00 H new ATOM 0 HG3 GLU A 139 20.158 -10.998 -18.650 1.00 0.00 H new ATOM 998 N ASP A 140 20.637 -7.722 -23.047 1.00 0.00 N ATOM 999 CA ASP A 140 21.475 -6.845 -23.850 1.00 0.00 C ATOM 1000 C ASP A 140 20.827 -5.470 -24.007 1.00 0.00 C ATOM 1001 O ASP A 140 21.520 -4.456 -24.105 1.00 0.00 O ATOM 1002 CB ASP A 140 21.694 -7.461 -25.235 1.00 0.00 C ATOM 1003 CG ASP A 140 20.486 -7.188 -26.128 1.00 0.00 C ATOM 1004 OD1 ASP A 140 20.471 -6.148 -26.762 1.00 0.00 O ATOM 1005 OD2 ASP A 140 19.599 -8.020 -26.167 1.00 0.00 O ATOM 0 H ASP A 140 20.168 -8.461 -23.570 1.00 0.00 H new ATOM 0 HA ASP A 140 22.432 -6.727 -23.342 1.00 0.00 H new ATOM 0 HB2 ASP A 140 22.593 -7.044 -25.689 1.00 0.00 H new ATOM 0 HB3 ASP A 140 21.852 -8.535 -25.143 1.00 0.00 H new ATOM 1010 N PHE A 141 19.499 -5.447 -24.027 1.00 0.00 N ATOM 1011 CA PHE A 141 18.776 -4.190 -24.180 1.00 0.00 C ATOM 1012 C PHE A 141 18.278 -3.699 -22.822 1.00 0.00 C ATOM 1013 O PHE A 141 17.615 -4.437 -22.093 1.00 0.00 O ATOM 1014 CB PHE A 141 17.582 -4.376 -25.118 1.00 0.00 C ATOM 1015 CG PHE A 141 16.429 -4.984 -24.357 1.00 0.00 C ATOM 1016 CD1 PHE A 141 16.286 -6.370 -24.284 1.00 0.00 C ATOM 1017 CD2 PHE A 141 15.500 -4.149 -23.722 1.00 0.00 C ATOM 1018 CE1 PHE A 141 15.214 -6.926 -23.575 1.00 0.00 C ATOM 1019 CE2 PHE A 141 14.428 -4.705 -23.013 1.00 0.00 C ATOM 1020 CZ PHE A 141 14.285 -6.093 -22.938 1.00 0.00 C ATOM 0 H PHE A 141 18.907 -6.273 -23.940 1.00 0.00 H new ATOM 0 HA PHE A 141 19.457 -3.452 -24.604 1.00 0.00 H new ATOM 0 HB2 PHE A 141 17.286 -3.416 -25.541 1.00 0.00 H new ATOM 0 HB3 PHE A 141 17.859 -5.020 -25.953 1.00 0.00 H new ATOM 0 HD1 PHE A 141 17.002 -7.014 -24.774 1.00 0.00 H new ATOM 0 HD2 PHE A 141 15.611 -3.076 -23.779 1.00 0.00 H new ATOM 0 HE1 PHE A 141 15.103 -7.999 -23.519 1.00 0.00 H new ATOM 0 HE2 PHE A 141 13.712 -4.061 -22.524 1.00 0.00 H new ATOM 0 HZ PHE A 141 13.460 -6.523 -22.390 1.00 0.00 H new ATOM 1030 N ASP A 142 18.603 -2.453 -22.496 1.00 0.00 N ATOM 1031 CA ASP A 142 18.184 -1.867 -21.227 1.00 0.00 C ATOM 1032 C ASP A 142 17.341 -0.618 -21.464 1.00 0.00 C ATOM 1033 O ASP A 142 17.685 0.229 -22.287 1.00 0.00 O ATOM 1034 CB ASP A 142 19.409 -1.512 -20.384 1.00 0.00 C ATOM 1035 CG ASP A 142 20.305 -0.544 -21.149 1.00 0.00 C ATOM 1036 OD1 ASP A 142 19.983 -0.242 -22.285 1.00 0.00 O ATOM 1037 OD2 ASP A 142 21.301 -0.122 -20.587 1.00 0.00 O ATOM 0 H ASP A 142 19.153 -1.831 -23.089 1.00 0.00 H new ATOM 0 HA ASP A 142 17.579 -2.600 -20.693 1.00 0.00 H new ATOM 0 HB2 ASP A 142 19.095 -1.063 -19.442 1.00 0.00 H new ATOM 0 HB3 ASP A 142 19.965 -2.416 -20.136 1.00 0.00 H new ATOM 1042 N PHE A 143 16.235 -0.509 -20.736 1.00 0.00 N ATOM 1043 CA PHE A 143 15.352 0.643 -20.876 1.00 0.00 C ATOM 1044 C PHE A 143 16.157 1.940 -20.862 1.00 0.00 C ATOM 1045 O PHE A 143 17.367 1.928 -20.642 1.00 0.00 O ATOM 1046 CB PHE A 143 14.334 0.664 -19.735 1.00 0.00 C ATOM 1047 CG PHE A 143 13.310 -0.424 -19.953 1.00 0.00 C ATOM 1048 CD1 PHE A 143 12.170 -0.164 -20.723 1.00 0.00 C ATOM 1049 CD2 PHE A 143 13.499 -1.688 -19.385 1.00 0.00 C ATOM 1050 CE1 PHE A 143 11.219 -1.172 -20.927 1.00 0.00 C ATOM 1051 CE2 PHE A 143 12.548 -2.696 -19.590 1.00 0.00 C ATOM 1052 CZ PHE A 143 11.409 -2.437 -20.360 1.00 0.00 C ATOM 0 H PHE A 143 15.930 -1.198 -20.048 1.00 0.00 H new ATOM 0 HA PHE A 143 14.829 0.561 -21.829 1.00 0.00 H new ATOM 0 HB2 PHE A 143 14.839 0.517 -18.780 1.00 0.00 H new ATOM 0 HB3 PHE A 143 13.843 1.636 -19.689 1.00 0.00 H new ATOM 0 HD1 PHE A 143 12.024 0.813 -21.159 1.00 0.00 H new ATOM 0 HD2 PHE A 143 14.377 -1.887 -18.789 1.00 0.00 H new ATOM 0 HE1 PHE A 143 10.340 -0.973 -21.522 1.00 0.00 H new ATOM 0 HE2 PHE A 143 12.694 -3.673 -19.154 1.00 0.00 H new ATOM 0 HZ PHE A 143 10.676 -3.214 -20.517 1.00 0.00 H new