USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=13 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 180:sc= -0.0435 USER MOD Single : A 95 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0273) USER MOD Single : A 96 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.043) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= -2.91! USER MOD Single : A 112 SER OG : rot -76:sc= 0.467 USER MOD Single : A 114 GLN : amide:sc= -0.0798 X(o=-0.08,f=-0.13) USER MOD Single : A 117 LYS NZ :NH3+ -161:sc= -0.0683 (180deg=-0.669) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0805 K(o=-0.08,f=-2!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc= -0.199 K(o=-0.2,f=-0.81) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= -0.283! C(o=-0.28!,f=-2!) 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+ -152:sc= -0.0217 (180deg=-0.603) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 87 24.666 -0.271 -25.695 1.00 0.00 N ATOM 135 CA PRO A 87 25.805 -0.895 -26.434 1.00 0.00 C ATOM 136 C PRO A 87 25.952 -0.326 -27.844 1.00 0.00 C ATOM 137 O PRO A 87 24.966 0.061 -28.473 1.00 0.00 O ATOM 138 CB PRO A 87 25.438 -2.383 -26.484 1.00 0.00 C ATOM 139 CG PRO A 87 24.453 -2.585 -25.383 1.00 0.00 C ATOM 140 CD PRO A 87 23.685 -1.277 -25.266 1.00 0.00 C ATOM 0 HA PRO A 87 26.761 -0.705 -25.947 1.00 0.00 H new ATOM 0 HB2 PRO A 87 25.008 -2.649 -27.450 1.00 0.00 H new ATOM 0 HB3 PRO A 87 26.319 -3.010 -26.343 1.00 0.00 H new ATOM 0 HG2 PRO A 87 23.781 -3.414 -25.607 1.00 0.00 H new ATOM 0 HG3 PRO A 87 24.957 -2.827 -24.447 1.00 0.00 H new ATOM 0 HD2 PRO A 87 22.799 -1.272 -25.901 1.00 0.00 H new ATOM 0 HD3 PRO A 87 23.346 -1.099 -24.245 1.00 0.00 H new ATOM 148 N CYS A 88 27.187 -0.272 -28.329 1.00 0.00 N ATOM 149 CA CYS A 88 27.453 0.258 -29.662 1.00 0.00 C ATOM 150 C CYS A 88 26.640 -0.495 -30.710 1.00 0.00 C ATOM 151 O CYS A 88 26.539 -1.721 -30.671 1.00 0.00 O ATOM 152 CB CYS A 88 28.943 0.132 -29.986 1.00 0.00 C ATOM 153 SG CYS A 88 29.251 0.763 -31.655 1.00 0.00 S ATOM 0 H CYS A 88 28.015 -0.586 -27.824 1.00 0.00 H new ATOM 0 HA CYS A 88 27.164 1.309 -29.679 1.00 0.00 H new ATOM 0 HB2 CYS A 88 29.533 0.691 -29.259 1.00 0.00 H new ATOM 0 HB3 CYS A 88 29.255 -0.910 -29.916 1.00 0.00 H new ATOM 0 HG CYS A 88 30.517 0.659 -31.931 1.00 0.00 H new ATOM 159 N GLY A 89 26.057 0.251 -31.643 1.00 0.00 N ATOM 160 CA GLY A 89 25.246 -0.349 -32.697 1.00 0.00 C ATOM 161 C GLY A 89 23.762 -0.282 -32.355 1.00 0.00 C ATOM 162 O GLY A 89 22.909 -0.506 -33.214 1.00 0.00 O ATOM 0 H GLY A 89 26.130 1.267 -31.691 1.00 0.00 H new ATOM 0 HA2 GLY A 89 25.429 0.168 -33.639 1.00 0.00 H new ATOM 0 HA3 GLY A 89 25.542 -1.388 -32.841 1.00 0.00 H new ATOM 166 N TRP A 90 23.463 0.033 -31.100 1.00 0.00 N ATOM 167 CA TRP A 90 22.078 0.136 -30.647 1.00 0.00 C ATOM 168 C TRP A 90 21.714 1.587 -30.355 1.00 0.00 C ATOM 169 O TRP A 90 22.580 2.393 -30.020 1.00 0.00 O ATOM 170 CB TRP A 90 21.874 -0.707 -29.391 1.00 0.00 C ATOM 171 CG TRP A 90 22.006 -2.155 -29.742 1.00 0.00 C ATOM 172 CD1 TRP A 90 23.171 -2.838 -29.790 1.00 0.00 C ATOM 173 CD2 TRP A 90 20.958 -3.109 -30.083 1.00 0.00 C ATOM 174 NE1 TRP A 90 22.910 -4.148 -30.143 1.00 0.00 N ATOM 175 CE2 TRP A 90 21.560 -4.367 -30.334 1.00 0.00 C ATOM 176 CE3 TRP A 90 19.560 -3.007 -30.202 1.00 0.00 C ATOM 177 CZ2 TRP A 90 20.801 -5.483 -30.687 1.00 0.00 C ATOM 178 CZ3 TRP A 90 18.795 -4.129 -30.558 1.00 0.00 C ATOM 179 CH2 TRP A 90 19.413 -5.363 -30.799 1.00 0.00 C ATOM 0 H TRP A 90 24.159 0.221 -30.378 1.00 0.00 H new ATOM 0 HA TRP A 90 21.429 -0.235 -31.441 1.00 0.00 H new ATOM 0 HB2 TRP A 90 22.609 -0.436 -28.634 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.890 -0.512 -28.964 1.00 0.00 H new ATOM 0 HD1 TRP A 90 24.148 -2.426 -29.585 1.00 0.00 H new ATOM 0 HE1 TRP A 90 23.627 -4.866 -30.250 1.00 0.00 H new ATOM 0 HE3 TRP A 90 19.073 -2.061 -30.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 21.282 -6.432 -30.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 17.722 -4.040 -30.647 1.00 0.00 H new ATOM 0 HH2 TRP A 90 18.817 -6.221 -31.071 1.00 0.00 H new ATOM 190 N GLU A 91 20.431 1.912 -30.492 1.00 0.00 N ATOM 191 CA GLU A 91 19.962 3.271 -30.240 1.00 0.00 C ATOM 192 C GLU A 91 18.797 3.261 -29.259 1.00 0.00 C ATOM 193 O GLU A 91 18.051 2.284 -29.185 1.00 0.00 O ATOM 194 CB GLU A 91 19.517 3.918 -31.550 1.00 0.00 C ATOM 195 CG GLU A 91 20.725 4.073 -32.478 1.00 0.00 C ATOM 196 CD GLU A 91 20.283 4.670 -33.810 1.00 0.00 C ATOM 197 OE1 GLU A 91 19.089 4.834 -33.997 1.00 0.00 O ATOM 198 OE2 GLU A 91 21.147 4.953 -34.625 1.00 0.00 O ATOM 0 H GLU A 91 19.702 1.257 -30.774 1.00 0.00 H new ATOM 0 HA GLU A 91 20.782 3.845 -29.809 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.753 3.306 -32.029 1.00 0.00 H new ATOM 0 HB3 GLU A 91 19.069 4.892 -31.353 1.00 0.00 H new ATOM 0 HG2 GLU A 91 21.473 4.715 -32.012 1.00 0.00 H new ATOM 0 HG3 GLU A 91 21.195 3.103 -32.642 1.00 0.00 H new ATOM 205 N ARG A 92 18.650 4.350 -28.507 1.00 0.00 N ATOM 206 CA ARG A 92 17.571 4.459 -27.531 1.00 0.00 C ATOM 207 C ARG A 92 16.676 5.647 -27.866 1.00 0.00 C ATOM 208 O ARG A 92 17.155 6.766 -28.041 1.00 0.00 O ATOM 209 CB ARG A 92 18.149 4.633 -26.127 1.00 0.00 C ATOM 210 CG ARG A 92 17.013 4.634 -25.105 1.00 0.00 C ATOM 211 CD ARG A 92 17.594 4.570 -23.692 1.00 0.00 C ATOM 212 NE ARG A 92 18.313 5.800 -23.384 1.00 0.00 N ATOM 213 CZ ARG A 92 18.931 5.960 -22.219 1.00 0.00 C ATOM 214 NH1 ARG A 92 18.901 5.008 -21.327 1.00 0.00 N ATOM 215 NH2 ARG A 92 19.567 7.071 -21.965 1.00 0.00 N ATOM 0 H ARG A 92 19.262 5.165 -28.555 1.00 0.00 H new ATOM 0 HA ARG A 92 16.978 3.545 -27.565 1.00 0.00 H new ATOM 0 HB2 ARG A 92 18.849 3.827 -25.908 1.00 0.00 H new ATOM 0 HB3 ARG A 92 18.709 5.566 -26.066 1.00 0.00 H new ATOM 0 HG2 ARG A 92 16.408 5.533 -25.220 1.00 0.00 H new ATOM 0 HG3 ARG A 92 16.355 3.783 -25.277 1.00 0.00 H new ATOM 0 HD2 ARG A 92 16.793 4.418 -22.969 1.00 0.00 H new ATOM 0 HD3 ARG A 92 18.267 3.717 -23.606 1.00 0.00 H new ATOM 0 HE ARG A 92 18.342 6.550 -24.074 1.00 0.00 H new ATOM 0 HH11 ARG A 92 18.403 4.140 -21.524 1.00 0.00 H new ATOM 0 HH12 ARG A 92 19.376 5.132 -20.433 1.00 0.00 H new ATOM 0 HH21 ARG A 92 19.589 7.816 -22.661 1.00 0.00 H new ATOM 0 HH22 ARG A 92 20.042 7.194 -21.071 1.00 0.00 H new ATOM 229 N VAL A 93 15.376 5.384 -27.966 1.00 0.00 N ATOM 230 CA VAL A 93 14.405 6.425 -28.292 1.00 0.00 C ATOM 231 C VAL A 93 13.336 6.532 -27.215 1.00 0.00 C ATOM 232 O VAL A 93 12.832 5.520 -26.728 1.00 0.00 O ATOM 233 CB VAL A 93 13.745 6.123 -29.636 1.00 0.00 C ATOM 234 CG1 VAL A 93 12.536 7.038 -29.820 1.00 0.00 C ATOM 235 CG2 VAL A 93 14.748 6.380 -30.765 1.00 0.00 C ATOM 0 H VAL A 93 14.970 4.459 -27.826 1.00 0.00 H new ATOM 0 HA VAL A 93 14.936 7.375 -28.350 1.00 0.00 H new ATOM 0 HB VAL A 93 13.426 5.081 -29.660 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.062 6.826 -30.778 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.822 6.864 -29.015 1.00 0.00 H new ATOM 0 HG13 VAL A 93 12.860 8.078 -29.798 1.00 0.00 H new ATOM 0 HG21 VAL A 93 14.278 6.165 -31.725 1.00 0.00 H new ATOM 0 HG22 VAL A 93 15.063 7.423 -30.741 1.00 0.00 H new ATOM 0 HG23 VAL A 93 15.617 5.735 -30.634 1.00 0.00 H new ATOM 245 N VAL A 94 12.991 7.766 -26.852 1.00 0.00 N ATOM 246 CA VAL A 94 11.969 7.996 -25.838 1.00 0.00 C ATOM 247 C VAL A 94 10.864 8.886 -26.386 1.00 0.00 C ATOM 248 O VAL A 94 11.136 9.933 -26.974 1.00 0.00 O ATOM 249 CB VAL A 94 12.592 8.652 -24.605 1.00 0.00 C ATOM 250 CG1 VAL A 94 13.700 7.755 -24.052 1.00 0.00 C ATOM 251 CG2 VAL A 94 13.181 10.009 -24.997 1.00 0.00 C ATOM 0 H VAL A 94 13.401 8.614 -27.242 1.00 0.00 H new ATOM 0 HA VAL A 94 11.540 7.034 -25.558 1.00 0.00 H new ATOM 0 HB VAL A 94 11.827 8.792 -23.841 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.143 8.224 -23.173 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.281 6.788 -23.775 1.00 0.00 H new ATOM 0 HG13 VAL A 94 14.467 7.613 -24.813 1.00 0.00 H new ATOM 0 HG21 VAL A 94 13.626 10.479 -24.120 1.00 0.00 H new ATOM 0 HG22 VAL A 94 13.946 9.867 -25.760 1.00 0.00 H new ATOM 0 HG23 VAL A 94 12.391 10.649 -25.390 1.00 0.00 H new ATOM 261 N LYS A 95 9.618 8.459 -26.191 1.00 0.00 N ATOM 262 CA LYS A 95 8.470 9.223 -26.674 1.00 0.00 C ATOM 263 C LYS A 95 7.489 9.506 -25.544 1.00 0.00 C ATOM 264 O LYS A 95 7.156 8.620 -24.759 1.00 0.00 O ATOM 265 CB LYS A 95 7.754 8.445 -27.782 1.00 0.00 C ATOM 266 CG LYS A 95 8.456 8.683 -29.125 1.00 0.00 C ATOM 267 CD LYS A 95 8.250 10.137 -29.571 1.00 0.00 C ATOM 268 CE LYS A 95 7.917 10.173 -31.060 1.00 0.00 C ATOM 269 NZ LYS A 95 6.504 9.743 -31.259 1.00 0.00 N ATOM 0 H LYS A 95 9.379 7.594 -25.706 1.00 0.00 H new ATOM 0 HA LYS A 95 8.836 10.172 -27.066 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.751 7.381 -27.547 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.713 8.761 -27.845 1.00 0.00 H new ATOM 0 HG2 LYS A 95 9.521 8.469 -29.032 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.059 8.003 -29.878 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.444 10.594 -28.997 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.150 10.719 -29.375 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.062 11.180 -31.453 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.590 9.516 -31.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 6.210 9.957 -32.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 6.426 8.720 -31.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 5.889 10.252 -30.592 1.00 0.00 H new ATOM 283 N GLN A 96 7.030 10.749 -25.472 1.00 0.00 N ATOM 284 CA GLN A 96 6.085 11.141 -24.434 1.00 0.00 C ATOM 285 C GLN A 96 4.667 11.170 -24.991 1.00 0.00 C ATOM 286 O GLN A 96 4.391 11.843 -25.985 1.00 0.00 O ATOM 287 CB GLN A 96 6.447 12.524 -23.887 1.00 0.00 C ATOM 288 CG GLN A 96 7.841 12.476 -23.258 1.00 0.00 C ATOM 289 CD GLN A 96 8.224 13.857 -22.734 1.00 0.00 C ATOM 290 OE1 GLN A 96 8.195 14.835 -23.481 1.00 0.00 O ATOM 291 NE2 GLN A 96 8.587 13.994 -21.489 1.00 0.00 N ATOM 0 H GLN A 96 7.294 11.497 -26.113 1.00 0.00 H new ATOM 0 HA GLN A 96 6.136 10.409 -23.628 1.00 0.00 H new ATOM 0 HB2 GLN A 96 6.424 13.261 -24.689 1.00 0.00 H new ATOM 0 HB3 GLN A 96 5.712 12.837 -23.145 1.00 0.00 H new ATOM 0 HG2 GLN A 96 7.857 11.752 -22.444 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.571 12.142 -23.996 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.610 13.182 -20.872 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.848 14.913 -21.132 1.00 0.00 H new ATOM 300 N ARG A 97 3.775 10.430 -24.348 1.00 0.00 N ATOM 301 CA ARG A 97 2.382 10.372 -24.786 1.00 0.00 C ATOM 302 C ARG A 97 1.593 11.558 -24.250 1.00 0.00 C ATOM 303 O ARG A 97 1.633 11.847 -23.056 1.00 0.00 O ATOM 304 CB ARG A 97 1.726 9.073 -24.316 1.00 0.00 C ATOM 305 CG ARG A 97 2.110 7.926 -25.262 1.00 0.00 C ATOM 306 CD ARG A 97 1.326 6.672 -24.886 1.00 0.00 C ATOM 307 NE ARG A 97 1.908 6.041 -23.709 1.00 0.00 N ATOM 308 CZ ARG A 97 1.161 5.349 -22.857 1.00 0.00 C ATOM 309 NH1 ARG A 97 -0.125 5.236 -23.060 1.00 0.00 N ATOM 310 NH2 ARG A 97 1.715 4.782 -21.822 1.00 0.00 N ATOM 0 H ARG A 97 3.986 9.864 -23.526 1.00 0.00 H new ATOM 0 HA ARG A 97 2.375 10.407 -25.875 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.044 8.841 -23.300 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.643 9.190 -24.292 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.897 8.205 -26.294 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.181 7.731 -25.199 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.286 6.931 -24.690 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.328 5.971 -25.720 1.00 0.00 H new ATOM 0 HE ARG A 97 2.909 6.133 -23.536 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.554 5.679 -23.872 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.700 4.705 -22.406 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.719 4.871 -21.669 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.144 4.250 -21.166 1.00 0.00 H new ATOM 324 N LEU A 98 0.870 12.231 -25.145 1.00 0.00 N ATOM 325 CA LEU A 98 0.068 13.382 -24.753 1.00 0.00 C ATOM 326 C LEU A 98 -1.372 13.206 -25.207 1.00 0.00 C ATOM 327 O LEU A 98 -1.718 13.559 -26.333 1.00 0.00 O ATOM 328 CB LEU A 98 0.644 14.669 -25.364 1.00 0.00 C ATOM 329 CG LEU A 98 1.822 15.163 -24.514 1.00 0.00 C ATOM 330 CD1 LEU A 98 2.990 14.182 -24.614 1.00 0.00 C ATOM 331 CD2 LEU A 98 2.268 16.536 -25.012 1.00 0.00 C ATOM 0 H LEU A 98 0.825 11.999 -26.137 1.00 0.00 H new ATOM 0 HA LEU A 98 0.093 13.459 -23.666 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.974 14.482 -26.386 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.128 15.437 -25.414 1.00 0.00 H new ATOM 0 HG LEU A 98 1.505 15.234 -23.474 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.821 14.542 -24.007 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.675 13.203 -24.253 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.309 14.100 -25.653 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.105 16.888 -24.409 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.578 16.462 -26.054 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.440 17.240 -24.929 1.00 0.00 H new ATOM 343 N PHE A 99 -2.205 12.659 -24.323 1.00 0.00 N ATOM 344 CA PHE A 99 -3.611 12.442 -24.643 1.00 0.00 C ATOM 345 C PHE A 99 -4.509 13.125 -23.619 1.00 0.00 C ATOM 346 O PHE A 99 -4.975 14.244 -23.838 1.00 0.00 O ATOM 347 CB PHE A 99 -3.909 10.940 -24.664 1.00 0.00 C ATOM 348 CG PHE A 99 -3.170 10.295 -25.812 1.00 0.00 C ATOM 349 CD1 PHE A 99 -3.617 10.487 -27.124 1.00 0.00 C ATOM 350 CD2 PHE A 99 -2.038 9.508 -25.565 1.00 0.00 C ATOM 351 CE1 PHE A 99 -2.934 9.891 -28.188 1.00 0.00 C ATOM 352 CE2 PHE A 99 -1.354 8.912 -26.632 1.00 0.00 C ATOM 353 CZ PHE A 99 -1.803 9.103 -27.943 1.00 0.00 C ATOM 0 H PHE A 99 -1.931 12.361 -23.387 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.813 12.871 -25.625 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.605 10.485 -23.721 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.981 10.773 -24.768 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.489 11.095 -27.314 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.693 9.361 -24.552 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.279 10.039 -29.201 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.481 8.305 -26.443 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.277 8.643 -28.766 1.00 0.00 H new ATOM 363 N GLY A 100 -4.746 12.449 -22.501 1.00 0.00 N ATOM 364 CA GLY A 100 -5.590 13.006 -21.450 1.00 0.00 C ATOM 365 C GLY A 100 -5.633 12.083 -20.241 1.00 0.00 C ATOM 366 O GLY A 100 -5.008 12.357 -19.213 1.00 0.00 O ATOM 0 H GLY A 100 -4.370 11.523 -22.299 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.210 13.983 -21.153 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -6.599 13.159 -21.832 1.00 0.00 H new ATOM 370 N LYS A 101 -6.377 10.994 -20.363 1.00 0.00 N ATOM 371 CA LYS A 101 -6.491 10.048 -19.270 1.00 0.00 C ATOM 372 C LYS A 101 -5.130 9.477 -18.887 1.00 0.00 C ATOM 373 O LYS A 101 -4.792 9.398 -17.705 1.00 0.00 O ATOM 374 CB LYS A 101 -7.436 8.902 -19.660 1.00 0.00 C ATOM 375 CG LYS A 101 -7.366 7.765 -18.623 1.00 0.00 C ATOM 376 CD LYS A 101 -7.733 8.303 -17.238 1.00 0.00 C ATOM 377 CE LYS A 101 -7.863 7.144 -16.262 1.00 0.00 C ATOM 378 NZ LYS A 101 -8.194 7.677 -14.911 1.00 0.00 N ATOM 0 H LYS A 101 -6.905 10.747 -21.200 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.896 10.581 -18.409 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.458 9.274 -19.731 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.167 8.520 -20.645 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.048 6.962 -18.904 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -6.363 7.339 -18.604 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.969 8.999 -16.892 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.670 8.857 -17.288 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.641 6.457 -16.596 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.932 6.578 -16.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.284 6.888 -14.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.437 8.316 -14.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.092 8.199 -14.954 1.00 0.00 H new ATOM 392 N THR A 102 -4.376 9.044 -19.889 1.00 0.00 N ATOM 393 CA THR A 102 -3.069 8.446 -19.651 1.00 0.00 C ATOM 394 C THR A 102 -1.969 9.361 -20.164 1.00 0.00 C ATOM 395 O THR A 102 -0.876 8.910 -20.490 1.00 0.00 O ATOM 396 CB THR A 102 -2.982 7.090 -20.348 1.00 0.00 C ATOM 397 OG1 THR A 102 -3.175 7.273 -21.742 1.00 0.00 O ATOM 398 CG2 THR A 102 -4.059 6.151 -19.793 1.00 0.00 C ATOM 0 H THR A 102 -4.646 9.095 -20.871 1.00 0.00 H new ATOM 0 HA THR A 102 -2.938 8.306 -18.578 1.00 0.00 H new ATOM 0 HB THR A 102 -2.002 6.648 -20.169 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.119 6.407 -22.197 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.993 5.185 -20.294 1.00 0.00 H new ATOM 0 HG22 THR A 102 -3.907 6.016 -18.722 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.044 6.583 -19.968 1.00 0.00 H new ATOM 406 N ALA A 103 -2.266 10.650 -20.226 1.00 0.00 N ATOM 407 CA ALA A 103 -1.288 11.628 -20.693 1.00 0.00 C ATOM 408 C ALA A 103 -0.171 11.810 -19.666 1.00 0.00 C ATOM 409 O ALA A 103 -0.419 11.831 -18.459 1.00 0.00 O ATOM 410 CB ALA A 103 -1.966 12.976 -20.937 1.00 0.00 C ATOM 0 H ALA A 103 -3.169 11.044 -19.962 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.860 11.258 -21.624 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.227 13.697 -21.285 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.744 12.861 -21.692 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.412 13.333 -20.008 1.00 0.00 H new ATOM 416 N GLY A 104 1.052 11.954 -20.156 1.00 0.00 N ATOM 417 CA GLY A 104 2.203 12.143 -19.274 1.00 0.00 C ATOM 418 C GLY A 104 2.998 10.854 -19.108 1.00 0.00 C ATOM 419 O GLY A 104 4.066 10.845 -18.496 1.00 0.00 O ATOM 0 H GLY A 104 1.276 11.944 -21.151 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.850 12.921 -19.680 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.862 12.489 -18.298 1.00 0.00 H new ATOM 423 N ARG A 105 2.481 9.770 -19.669 1.00 0.00 N ATOM 424 CA ARG A 105 3.161 8.484 -19.591 1.00 0.00 C ATOM 425 C ARG A 105 4.459 8.510 -20.375 1.00 0.00 C ATOM 426 O ARG A 105 4.592 9.258 -21.340 1.00 0.00 O ATOM 427 CB ARG A 105 2.250 7.386 -20.141 1.00 0.00 C ATOM 428 CG ARG A 105 1.032 7.199 -19.230 1.00 0.00 C ATOM 429 CD ARG A 105 1.426 6.409 -17.977 1.00 0.00 C ATOM 430 NE ARG A 105 0.247 6.105 -17.184 1.00 0.00 N ATOM 431 CZ ARG A 105 -0.219 6.970 -16.291 1.00 0.00 C ATOM 432 NH1 ARG A 105 0.377 8.119 -16.117 1.00 0.00 N ATOM 433 NH2 ARG A 105 -1.274 6.671 -15.584 1.00 0.00 N ATOM 0 H ARG A 105 1.598 9.754 -20.180 1.00 0.00 H new ATOM 0 HA ARG A 105 3.393 8.280 -18.546 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.923 7.646 -21.148 1.00 0.00 H new ATOM 0 HB3 ARG A 105 2.803 6.450 -20.217 1.00 0.00 H new ATOM 0 HG2 ARG A 105 0.629 8.171 -18.945 1.00 0.00 H new ATOM 0 HG3 ARG A 105 0.243 6.673 -19.768 1.00 0.00 H new ATOM 0 HD2 ARG A 105 1.928 5.485 -18.264 1.00 0.00 H new ATOM 0 HD3 ARG A 105 2.134 6.986 -17.382 1.00 0.00 H new ATOM 0 HE ARG A 105 -0.230 5.213 -17.315 1.00 0.00 H new ATOM 0 HH11 ARG A 105 1.203 8.354 -16.668 1.00 0.00 H new ATOM 0 HH12 ARG A 105 0.017 8.782 -15.430 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -1.740 5.773 -15.718 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.633 7.335 -14.898 1.00 0.00 H new ATOM 447 N PHE A 106 5.420 7.698 -19.942 1.00 0.00 N ATOM 448 CA PHE A 106 6.718 7.645 -20.605 1.00 0.00 C ATOM 449 C PHE A 106 6.895 6.315 -21.330 1.00 0.00 C ATOM 450 O PHE A 106 6.670 5.250 -20.755 1.00 0.00 O ATOM 451 CB PHE A 106 7.835 7.813 -19.573 1.00 0.00 C ATOM 452 CG PHE A 106 7.712 9.164 -18.909 1.00 0.00 C ATOM 453 CD1 PHE A 106 8.315 10.287 -19.488 1.00 0.00 C ATOM 454 CD2 PHE A 106 6.995 9.293 -17.715 1.00 0.00 C ATOM 455 CE1 PHE A 106 8.199 11.538 -18.871 1.00 0.00 C ATOM 456 CE2 PHE A 106 6.880 10.544 -17.099 1.00 0.00 C ATOM 457 CZ PHE A 106 7.483 11.667 -17.677 1.00 0.00 C ATOM 0 H PHE A 106 5.325 7.073 -19.142 1.00 0.00 H new ATOM 0 HA PHE A 106 6.767 8.454 -21.334 1.00 0.00 H new ATOM 0 HB2 PHE A 106 7.775 7.022 -18.825 1.00 0.00 H new ATOM 0 HB3 PHE A 106 8.808 7.721 -20.057 1.00 0.00 H new ATOM 0 HD1 PHE A 106 8.869 10.188 -20.410 1.00 0.00 H new ATOM 0 HD2 PHE A 106 6.530 8.427 -17.268 1.00 0.00 H new ATOM 0 HE1 PHE A 106 8.663 12.405 -19.318 1.00 0.00 H new ATOM 0 HE2 PHE A 106 6.326 10.643 -16.177 1.00 0.00 H new ATOM 0 HZ PHE A 106 7.395 12.633 -17.201 1.00 0.00 H new ATOM 467 N ASP A 107 7.303 6.388 -22.596 1.00 0.00 N ATOM 468 CA ASP A 107 7.514 5.186 -23.395 1.00 0.00 C ATOM 469 C ASP A 107 8.881 5.226 -24.065 1.00 0.00 C ATOM 470 O ASP A 107 9.261 6.230 -24.667 1.00 0.00 O ATOM 471 CB ASP A 107 6.421 5.066 -24.458 1.00 0.00 C ATOM 472 CG ASP A 107 5.052 5.311 -23.828 1.00 0.00 C ATOM 473 OD1 ASP A 107 4.446 4.352 -23.376 1.00 0.00 O ATOM 474 OD2 ASP A 107 4.630 6.456 -23.808 1.00 0.00 O ATOM 0 H ASP A 107 7.493 7.262 -23.087 1.00 0.00 H new ATOM 0 HA ASP A 107 7.471 4.319 -22.736 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.598 5.787 -25.256 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.450 4.075 -24.911 1.00 0.00 H new ATOM 479 N VAL A 108 9.625 4.133 -23.941 1.00 0.00 N ATOM 480 CA VAL A 108 10.958 4.058 -24.529 1.00 0.00 C ATOM 481 C VAL A 108 11.199 2.686 -25.154 1.00 0.00 C ATOM 482 O VAL A 108 10.611 1.691 -24.734 1.00 0.00 O ATOM 483 CB VAL A 108 12.013 4.321 -23.458 1.00 0.00 C ATOM 484 CG1 VAL A 108 11.654 5.589 -22.679 1.00 0.00 C ATOM 485 CG2 VAL A 108 12.072 3.134 -22.501 1.00 0.00 C ATOM 0 H VAL A 108 9.332 3.293 -23.443 1.00 0.00 H new ATOM 0 HA VAL A 108 11.031 4.815 -25.309 1.00 0.00 H new ATOM 0 HB VAL A 108 12.985 4.455 -23.934 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.410 5.773 -21.915 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.615 6.437 -23.363 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.682 5.461 -22.204 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.825 3.321 -21.736 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.099 3.000 -22.028 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.334 2.233 -23.055 1.00 0.00 H new ATOM 495 N TYR A 109 12.075 2.642 -26.152 1.00 0.00 N ATOM 496 CA TYR A 109 12.399 1.390 -26.822 1.00 0.00 C ATOM 497 C TYR A 109 13.776 1.466 -27.467 1.00 0.00 C ATOM 498 O TYR A 109 14.318 2.554 -27.655 1.00 0.00 O ATOM 499 CB TYR A 109 11.338 1.067 -27.876 1.00 0.00 C ATOM 500 CG TYR A 109 11.237 2.212 -28.849 1.00 0.00 C ATOM 501 CD1 TYR A 109 10.347 3.264 -28.595 1.00 0.00 C ATOM 502 CD2 TYR A 109 12.028 2.227 -30.001 1.00 0.00 C ATOM 503 CE1 TYR A 109 10.249 4.330 -29.494 1.00 0.00 C ATOM 504 CE2 TYR A 109 11.928 3.295 -30.901 1.00 0.00 C ATOM 505 CZ TYR A 109 11.041 4.346 -30.648 1.00 0.00 C ATOM 506 OH TYR A 109 10.945 5.396 -31.538 1.00 0.00 O ATOM 0 H TYR A 109 12.571 3.457 -26.513 1.00 0.00 H new ATOM 0 HA TYR A 109 12.412 0.594 -26.078 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.600 0.149 -28.403 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.374 0.896 -27.397 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.736 3.251 -27.704 1.00 0.00 H new ATOM 0 HD2 TYR A 109 12.715 1.417 -30.197 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.563 5.141 -29.298 1.00 0.00 H new ATOM 0 HE2 TYR A 109 12.537 3.307 -31.793 1.00 0.00 H new ATOM 0 HH TYR A 109 11.564 5.251 -32.284 1.00 0.00 H new ATOM 516 N PHE A 110 14.341 0.304 -27.789 1.00 0.00 N ATOM 517 CA PHE A 110 15.666 0.250 -28.400 1.00 0.00 C ATOM 518 C PHE A 110 15.571 -0.205 -29.848 1.00 0.00 C ATOM 519 O PHE A 110 14.689 -0.987 -30.203 1.00 0.00 O ATOM 520 CB PHE A 110 16.557 -0.709 -27.611 1.00 0.00 C ATOM 521 CG PHE A 110 15.759 -1.930 -27.213 1.00 0.00 C ATOM 522 CD1 PHE A 110 14.861 -1.856 -26.142 1.00 0.00 C ATOM 523 CD2 PHE A 110 15.913 -3.131 -27.916 1.00 0.00 C ATOM 524 CE1 PHE A 110 14.118 -2.983 -25.772 1.00 0.00 C ATOM 525 CE2 PHE A 110 15.171 -4.259 -27.544 1.00 0.00 C ATOM 526 CZ PHE A 110 14.272 -4.184 -26.473 1.00 0.00 C ATOM 0 H PHE A 110 13.905 -0.606 -27.638 1.00 0.00 H new ATOM 0 HA PHE A 110 16.101 1.249 -28.380 1.00 0.00 H new ATOM 0 HB2 PHE A 110 17.415 -1.004 -28.215 1.00 0.00 H new ATOM 0 HB3 PHE A 110 16.947 -0.212 -26.723 1.00 0.00 H new ATOM 0 HD1 PHE A 110 14.741 -0.929 -25.601 1.00 0.00 H new ATOM 0 HD2 PHE A 110 16.603 -3.187 -28.745 1.00 0.00 H new ATOM 0 HE1 PHE A 110 13.426 -2.926 -24.945 1.00 0.00 H new ATOM 0 HE2 PHE A 110 15.292 -5.187 -28.083 1.00 0.00 H new ATOM 0 HZ PHE A 110 13.698 -5.053 -26.188 1.00 0.00 H new ATOM 536 N ILE A 111 16.480 0.302 -30.680 1.00 0.00 N ATOM 537 CA ILE A 111 16.485 -0.049 -32.096 1.00 0.00 C ATOM 538 C ILE A 111 17.827 -0.650 -32.492 1.00 0.00 C ATOM 539 O ILE A 111 18.882 -0.077 -32.208 1.00 0.00 O ATOM 540 CB ILE A 111 16.213 1.192 -32.942 1.00 0.00 C ATOM 541 CG1 ILE A 111 14.891 1.827 -32.505 1.00 0.00 C ATOM 542 CG2 ILE A 111 16.110 0.793 -34.415 1.00 0.00 C ATOM 543 CD1 ILE A 111 14.696 3.157 -33.235 1.00 0.00 C ATOM 0 H ILE A 111 17.215 0.951 -30.400 1.00 0.00 H new ATOM 0 HA ILE A 111 15.702 -0.787 -32.271 1.00 0.00 H new ATOM 0 HB ILE A 111 17.027 1.904 -32.809 1.00 0.00 H new ATOM 0 HG12 ILE A 111 14.062 1.154 -32.726 1.00 0.00 H new ATOM 0 HG13 ILE A 111 14.892 1.989 -31.427 1.00 0.00 H new ATOM 0 HG21 ILE A 111 15.916 1.679 -35.019 1.00 0.00 H new ATOM 0 HG22 ILE A 111 17.046 0.334 -34.734 1.00 0.00 H new ATOM 0 HG23 ILE A 111 15.295 0.081 -34.543 1.00 0.00 H new ATOM 0 HD11 ILE A 111 13.754 3.609 -32.923 1.00 0.00 H new ATOM 0 HD12 ILE A 111 15.519 3.829 -32.992 1.00 0.00 H new ATOM 0 HD13 ILE A 111 14.676 2.982 -34.311 1.00 0.00 H new ATOM 555 N SER A 112 17.783 -1.810 -33.140 1.00 0.00 N ATOM 556 CA SER A 112 19.000 -2.475 -33.555 1.00 0.00 C ATOM 557 C SER A 112 19.583 -1.809 -34.801 1.00 0.00 C ATOM 558 O SER A 112 18.952 -0.940 -35.406 1.00 0.00 O ATOM 559 CB SER A 112 18.725 -3.950 -33.850 1.00 0.00 C ATOM 560 OG SER A 112 17.389 -4.255 -33.479 1.00 0.00 O ATOM 0 H SER A 112 16.923 -2.301 -33.385 1.00 0.00 H new ATOM 0 HA SER A 112 19.721 -2.397 -32.741 1.00 0.00 H new ATOM 0 HB2 SER A 112 18.878 -4.157 -34.909 1.00 0.00 H new ATOM 0 HB3 SER A 112 19.422 -4.581 -33.298 1.00 0.00 H new ATOM 0 HG SER A 112 17.329 -4.327 -32.503 1.00 0.00 H new ATOM 566 N PRO A 113 20.766 -2.204 -35.194 1.00 0.00 N ATOM 567 CA PRO A 113 21.449 -1.637 -36.399 1.00 0.00 C ATOM 568 C PRO A 113 20.604 -1.785 -37.664 1.00 0.00 C ATOM 569 O PRO A 113 20.682 -0.957 -38.572 1.00 0.00 O ATOM 570 CB PRO A 113 22.736 -2.462 -36.511 1.00 0.00 C ATOM 571 CG PRO A 113 22.965 -3.028 -35.152 1.00 0.00 C ATOM 572 CD PRO A 113 21.590 -3.238 -34.544 1.00 0.00 C ATOM 0 HA PRO A 113 21.628 -0.567 -36.298 1.00 0.00 H new ATOM 0 HB2 PRO A 113 22.632 -3.253 -37.253 1.00 0.00 H new ATOM 0 HB3 PRO A 113 23.575 -1.840 -36.824 1.00 0.00 H new ATOM 0 HG2 PRO A 113 23.513 -3.968 -35.209 1.00 0.00 H new ATOM 0 HG3 PRO A 113 23.561 -2.348 -34.542 1.00 0.00 H new ATOM 0 HD2 PRO A 113 21.210 -4.240 -34.746 1.00 0.00 H new ATOM 0 HD3 PRO A 113 21.607 -3.116 -33.461 1.00 0.00 H new ATOM 580 N GLN A 114 19.808 -2.850 -37.720 1.00 0.00 N ATOM 581 CA GLN A 114 18.963 -3.096 -38.882 1.00 0.00 C ATOM 582 C GLN A 114 17.827 -2.083 -38.946 1.00 0.00 C ATOM 583 O GLN A 114 17.110 -2.003 -39.944 1.00 0.00 O ATOM 584 CB GLN A 114 18.388 -4.514 -38.817 1.00 0.00 C ATOM 585 CG GLN A 114 19.220 -5.442 -39.704 1.00 0.00 C ATOM 586 CD GLN A 114 20.683 -5.402 -39.274 1.00 0.00 C ATOM 587 OE1 GLN A 114 21.506 -4.769 -39.935 1.00 0.00 O ATOM 588 NE2 GLN A 114 21.059 -6.054 -38.209 1.00 0.00 N ATOM 0 H GLN A 114 19.731 -3.549 -36.981 1.00 0.00 H new ATOM 0 HA GLN A 114 19.572 -2.992 -39.780 1.00 0.00 H new ATOM 0 HB2 GLN A 114 18.395 -4.874 -37.788 1.00 0.00 H new ATOM 0 HB3 GLN A 114 17.349 -4.512 -39.147 1.00 0.00 H new ATOM 0 HG2 GLN A 114 18.840 -6.461 -39.635 1.00 0.00 H new ATOM 0 HG3 GLN A 114 19.131 -5.138 -40.747 1.00 0.00 H new ATOM 0 HE21 GLN A 114 20.374 -6.578 -37.663 1.00 0.00 H new ATOM 0 HE22 GLN A 114 22.038 -6.040 -37.922 1.00 0.00 H new ATOM 597 N GLY A 115 17.671 -1.306 -37.879 1.00 0.00 N ATOM 598 CA GLY A 115 16.619 -0.299 -37.830 1.00 0.00 C ATOM 599 C GLY A 115 15.326 -0.876 -37.262 1.00 0.00 C ATOM 600 O GLY A 115 14.286 -0.217 -37.271 1.00 0.00 O ATOM 0 H GLY A 115 18.254 -1.354 -37.044 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.945 0.541 -37.217 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.437 0.089 -38.832 1.00 0.00 H new ATOM 604 N LEU A 116 15.398 -2.108 -36.765 1.00 0.00 N ATOM 605 CA LEU A 116 14.225 -2.756 -36.191 1.00 0.00 C ATOM 606 C LEU A 116 14.023 -2.312 -34.750 1.00 0.00 C ATOM 607 O LEU A 116 14.979 -2.208 -33.985 1.00 0.00 O ATOM 608 CB LEU A 116 14.403 -4.277 -36.241 1.00 0.00 C ATOM 609 CG LEU A 116 14.497 -4.728 -37.700 1.00 0.00 C ATOM 610 CD1 LEU A 116 14.846 -6.216 -37.754 1.00 0.00 C ATOM 611 CD2 LEU A 116 13.159 -4.493 -38.410 1.00 0.00 C ATOM 0 H LEU A 116 16.248 -2.672 -36.748 1.00 0.00 H new ATOM 0 HA LEU A 116 13.347 -2.471 -36.771 1.00 0.00 H new ATOM 0 HB2 LEU A 116 15.304 -4.567 -35.700 1.00 0.00 H new ATOM 0 HB3 LEU A 116 13.564 -4.769 -35.750 1.00 0.00 H new ATOM 0 HG LEU A 116 15.274 -4.150 -38.201 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.913 -6.537 -38.794 1.00 0.00 H new ATOM 0 HD12 LEU A 116 15.803 -6.383 -37.260 1.00 0.00 H new ATOM 0 HD13 LEU A 116 14.071 -6.790 -37.246 1.00 0.00 H new ATOM 0 HD21 LEU A 116 13.236 -4.817 -39.448 1.00 0.00 H new ATOM 0 HD22 LEU A 116 12.376 -5.063 -37.909 1.00 0.00 H new ATOM 0 HD23 LEU A 116 12.912 -3.432 -38.379 1.00 0.00 H new ATOM 623 N LYS A 117 12.773 -2.046 -34.387 1.00 0.00 N ATOM 624 CA LYS A 117 12.457 -1.603 -33.033 1.00 0.00 C ATOM 625 C LYS A 117 11.811 -2.729 -32.232 1.00 0.00 C ATOM 626 O LYS A 117 11.088 -3.560 -32.781 1.00 0.00 O ATOM 627 CB LYS A 117 11.507 -0.409 -33.090 1.00 0.00 C ATOM 628 CG LYS A 117 10.190 -0.831 -33.748 1.00 0.00 C ATOM 629 CD LYS A 117 9.507 0.392 -34.364 1.00 0.00 C ATOM 630 CE LYS A 117 9.251 1.441 -33.281 1.00 0.00 C ATOM 631 NZ LYS A 117 8.493 0.818 -32.159 1.00 0.00 N ATOM 0 H LYS A 117 11.967 -2.128 -35.006 1.00 0.00 H new ATOM 0 HA LYS A 117 13.385 -1.312 -32.540 1.00 0.00 H new ATOM 0 HB2 LYS A 117 11.319 -0.033 -32.084 1.00 0.00 H new ATOM 0 HB3 LYS A 117 11.963 0.405 -33.654 1.00 0.00 H new ATOM 0 HG2 LYS A 117 10.380 -1.580 -34.517 1.00 0.00 H new ATOM 0 HG3 LYS A 117 9.534 -1.292 -33.009 1.00 0.00 H new ATOM 0 HD2 LYS A 117 10.134 0.813 -35.150 1.00 0.00 H new ATOM 0 HD3 LYS A 117 8.566 0.099 -34.829 1.00 0.00 H new ATOM 0 HE2 LYS A 117 10.197 1.842 -32.917 1.00 0.00 H new ATOM 0 HE3 LYS A 117 8.688 2.277 -33.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 8.043 1.562 -31.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 7.762 0.186 -32.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 9.145 0.271 -31.561 1.00 0.00 H new ATOM 645 N PHE A 118 12.078 -2.745 -30.930 1.00 0.00 N ATOM 646 CA PHE A 118 11.512 -3.769 -30.061 1.00 0.00 C ATOM 647 C PHE A 118 11.164 -3.181 -28.695 1.00 0.00 C ATOM 648 O PHE A 118 11.875 -2.314 -28.187 1.00 0.00 O ATOM 649 CB PHE A 118 12.507 -4.915 -29.891 1.00 0.00 C ATOM 650 CG PHE A 118 12.845 -5.494 -31.243 1.00 0.00 C ATOM 651 CD1 PHE A 118 11.940 -6.347 -31.884 1.00 0.00 C ATOM 652 CD2 PHE A 118 14.062 -5.175 -31.855 1.00 0.00 C ATOM 653 CE1 PHE A 118 12.254 -6.884 -33.138 1.00 0.00 C ATOM 654 CE2 PHE A 118 14.376 -5.711 -33.109 1.00 0.00 C ATOM 655 CZ PHE A 118 13.470 -6.565 -33.752 1.00 0.00 C ATOM 0 H PHE A 118 12.677 -2.068 -30.458 1.00 0.00 H new ATOM 0 HA PHE A 118 10.599 -4.148 -30.521 1.00 0.00 H new ATOM 0 HB2 PHE A 118 13.412 -4.555 -29.401 1.00 0.00 H new ATOM 0 HB3 PHE A 118 12.083 -5.687 -29.249 1.00 0.00 H new ATOM 0 HD1 PHE A 118 11.000 -6.591 -31.412 1.00 0.00 H new ATOM 0 HD2 PHE A 118 14.759 -4.515 -31.360 1.00 0.00 H new ATOM 0 HE1 PHE A 118 11.557 -7.545 -33.632 1.00 0.00 H new ATOM 0 HE2 PHE A 118 15.316 -5.467 -33.581 1.00 0.00 H new ATOM 0 HZ PHE A 118 13.710 -6.977 -34.721 1.00 0.00 H new ATOM 665 N ARG A 119 10.075 -3.660 -28.107 1.00 0.00 N ATOM 666 CA ARG A 119 9.650 -3.178 -26.796 1.00 0.00 C ATOM 667 C ARG A 119 9.263 -4.345 -25.894 1.00 0.00 C ATOM 668 O ARG A 119 8.778 -4.146 -24.780 1.00 0.00 O ATOM 669 CB ARG A 119 8.450 -2.237 -26.956 1.00 0.00 C ATOM 670 CG ARG A 119 7.228 -3.025 -27.456 1.00 0.00 C ATOM 671 CD ARG A 119 6.030 -2.088 -27.567 1.00 0.00 C ATOM 672 NE ARG A 119 4.833 -2.850 -27.908 1.00 0.00 N ATOM 673 CZ ARG A 119 3.622 -2.398 -27.605 1.00 0.00 C ATOM 674 NH1 ARG A 119 3.491 -1.262 -26.980 1.00 0.00 N ATOM 675 NH2 ARG A 119 2.572 -3.104 -27.908 1.00 0.00 N ATOM 0 H ARG A 119 9.473 -4.377 -28.512 1.00 0.00 H new ATOM 0 HA ARG A 119 10.481 -2.641 -26.338 1.00 0.00 H new ATOM 0 HB2 ARG A 119 8.221 -1.761 -26.003 1.00 0.00 H new ATOM 0 HB3 ARG A 119 8.693 -1.441 -27.660 1.00 0.00 H new ATOM 0 HG2 ARG A 119 7.443 -3.474 -28.426 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.003 -3.841 -26.770 1.00 0.00 H new ATOM 0 HD2 ARG A 119 5.880 -1.562 -26.624 1.00 0.00 H new ATOM 0 HD3 ARG A 119 6.219 -1.331 -28.328 1.00 0.00 H new ATOM 0 HE ARG A 119 4.928 -3.745 -28.387 1.00 0.00 H new ATOM 0 HH11 ARG A 119 4.318 -0.722 -26.725 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.562 -0.913 -26.746 1.00 0.00 H new ATOM 0 HH21 ARG A 119 2.680 -4.003 -28.377 1.00 0.00 H new ATOM 0 HH22 ARG A 119 1.641 -2.758 -27.676 1.00 0.00 H new ATOM 689 N SER A 120 9.472 -5.561 -26.386 1.00 0.00 N ATOM 690 CA SER A 120 9.132 -6.754 -25.619 1.00 0.00 C ATOM 691 C SER A 120 10.251 -7.784 -25.697 1.00 0.00 C ATOM 692 O SER A 120 10.923 -7.908 -26.721 1.00 0.00 O ATOM 693 CB SER A 120 7.833 -7.361 -26.154 1.00 0.00 C ATOM 694 OG SER A 120 6.771 -6.432 -25.974 1.00 0.00 O ATOM 0 H SER A 120 9.872 -5.746 -27.306 1.00 0.00 H new ATOM 0 HA SER A 120 8.998 -6.467 -24.576 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.941 -7.607 -27.210 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.610 -8.291 -25.631 1.00 0.00 H new ATOM 0 HG SER A 120 5.938 -6.817 -26.317 1.00 0.00 H new ATOM 700 N LYS A 121 10.442 -8.524 -24.613 1.00 0.00 N ATOM 701 CA LYS A 121 11.476 -9.547 -24.574 1.00 0.00 C ATOM 702 C LYS A 121 11.177 -10.653 -25.580 1.00 0.00 C ATOM 703 O LYS A 121 12.086 -11.187 -26.219 1.00 0.00 O ATOM 704 CB LYS A 121 11.563 -10.143 -23.170 1.00 0.00 C ATOM 705 CG LYS A 121 12.151 -9.107 -22.210 1.00 0.00 C ATOM 706 CD LYS A 121 11.942 -9.556 -20.761 1.00 0.00 C ATOM 707 CE LYS A 121 12.784 -10.802 -20.478 1.00 0.00 C ATOM 708 NZ LYS A 121 12.782 -11.080 -19.017 1.00 0.00 N ATOM 0 H LYS A 121 9.898 -8.436 -23.755 1.00 0.00 H new ATOM 0 HA LYS A 121 12.428 -9.085 -24.834 1.00 0.00 H new ATOM 0 HB2 LYS A 121 10.573 -10.448 -22.831 1.00 0.00 H new ATOM 0 HB3 LYS A 121 12.185 -11.038 -23.181 1.00 0.00 H new ATOM 0 HG2 LYS A 121 13.215 -8.977 -22.409 1.00 0.00 H new ATOM 0 HG3 LYS A 121 11.676 -8.139 -22.371 1.00 0.00 H new ATOM 0 HD2 LYS A 121 12.222 -8.754 -20.078 1.00 0.00 H new ATOM 0 HD3 LYS A 121 10.888 -9.771 -20.586 1.00 0.00 H new ATOM 0 HE2 LYS A 121 12.382 -11.657 -21.022 1.00 0.00 H new ATOM 0 HE3 LYS A 121 13.805 -10.652 -20.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 13.354 -11.927 -18.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 13.184 -10.267 -18.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 11.806 -11.241 -18.696 1.00 0.00 H new ATOM 722 N SER A 122 9.898 -11.013 -25.700 1.00 0.00 N ATOM 723 CA SER A 122 9.507 -12.074 -26.621 1.00 0.00 C ATOM 724 C SER A 122 9.881 -11.708 -28.053 1.00 0.00 C ATOM 725 O SER A 122 10.557 -12.472 -28.740 1.00 0.00 O ATOM 726 CB SER A 122 7.997 -12.296 -26.532 1.00 0.00 C ATOM 727 OG SER A 122 7.609 -13.298 -27.463 1.00 0.00 O ATOM 0 H SER A 122 9.129 -10.592 -25.179 1.00 0.00 H new ATOM 0 HA SER A 122 10.034 -12.987 -26.344 1.00 0.00 H new ATOM 0 HB2 SER A 122 7.722 -12.598 -25.521 1.00 0.00 H new ATOM 0 HB3 SER A 122 7.469 -11.366 -26.742 1.00 0.00 H new ATOM 0 HG SER A 122 6.641 -13.441 -27.405 1.00 0.00 H new ATOM 733 N SER A 123 9.433 -10.539 -28.500 1.00 0.00 N ATOM 734 CA SER A 123 9.715 -10.102 -29.861 1.00 0.00 C ATOM 735 C SER A 123 11.218 -10.129 -30.109 1.00 0.00 C ATOM 736 O SER A 123 11.674 -10.565 -31.165 1.00 0.00 O ATOM 737 CB SER A 123 9.195 -8.678 -30.060 1.00 0.00 C ATOM 738 OG SER A 123 7.779 -8.667 -29.936 1.00 0.00 O ATOM 0 H SER A 123 8.880 -9.885 -27.947 1.00 0.00 H new ATOM 0 HA SER A 123 9.220 -10.773 -30.562 1.00 0.00 H new ATOM 0 HB2 SER A 123 9.640 -8.011 -29.322 1.00 0.00 H new ATOM 0 HB3 SER A 123 9.487 -8.307 -31.042 1.00 0.00 H new ATOM 0 HG SER A 123 7.447 -7.754 -30.062 1.00 0.00 H new ATOM 744 N LEU A 124 11.984 -9.683 -29.121 1.00 0.00 N ATOM 745 CA LEU A 124 13.434 -9.684 -29.246 1.00 0.00 C ATOM 746 C LEU A 124 13.957 -11.108 -29.413 1.00 0.00 C ATOM 747 O LEU A 124 14.790 -11.378 -30.277 1.00 0.00 O ATOM 748 CB LEU A 124 14.066 -9.042 -28.003 1.00 0.00 C ATOM 749 CG LEU A 124 15.597 -9.069 -28.122 1.00 0.00 C ATOM 750 CD1 LEU A 124 16.029 -8.288 -29.362 1.00 0.00 C ATOM 751 CD2 LEU A 124 16.211 -8.430 -26.880 1.00 0.00 C ATOM 0 H LEU A 124 11.630 -9.321 -28.236 1.00 0.00 H new ATOM 0 HA LEU A 124 13.706 -9.106 -30.129 1.00 0.00 H new ATOM 0 HB2 LEU A 124 13.719 -8.014 -27.897 1.00 0.00 H new ATOM 0 HB3 LEU A 124 13.753 -9.578 -27.107 1.00 0.00 H new ATOM 0 HG LEU A 124 15.936 -10.101 -28.209 1.00 0.00 H new ATOM 0 HD11 LEU A 124 17.116 -8.308 -29.445 1.00 0.00 H new ATOM 0 HD12 LEU A 124 15.589 -8.742 -30.250 1.00 0.00 H new ATOM 0 HD13 LEU A 124 15.691 -7.255 -29.278 1.00 0.00 H new ATOM 0 HD21 LEU A 124 17.298 -8.448 -26.961 1.00 0.00 H new ATOM 0 HD22 LEU A 124 15.870 -7.398 -26.795 1.00 0.00 H new ATOM 0 HD23 LEU A 124 15.904 -8.987 -25.995 1.00 0.00 H new ATOM 763 N ALA A 125 13.463 -12.014 -28.581 1.00 0.00 N ATOM 764 CA ALA A 125 13.884 -13.407 -28.641 1.00 0.00 C ATOM 765 C ALA A 125 13.538 -14.000 -30.004 1.00 0.00 C ATOM 766 O ALA A 125 14.246 -14.868 -30.512 1.00 0.00 O ATOM 767 CB ALA A 125 13.203 -14.213 -27.532 1.00 0.00 C ATOM 0 H ALA A 125 12.772 -11.811 -27.858 1.00 0.00 H new ATOM 0 HA ALA A 125 14.964 -13.453 -28.498 1.00 0.00 H new ATOM 0 HB1 ALA A 125 13.526 -15.253 -27.587 1.00 0.00 H new ATOM 0 HB2 ALA A 125 13.476 -13.799 -26.561 1.00 0.00 H new ATOM 0 HB3 ALA A 125 12.121 -14.162 -27.657 1.00 0.00 H new ATOM 773 N ASN A 126 12.439 -13.525 -30.585 1.00 0.00 N ATOM 774 CA ASN A 126 12.006 -14.011 -31.891 1.00 0.00 C ATOM 775 C ASN A 126 12.876 -13.423 -32.998 1.00 0.00 C ATOM 776 O ASN A 126 13.319 -14.134 -33.894 1.00 0.00 O ATOM 777 CB ASN A 126 10.544 -13.638 -32.129 1.00 0.00 C ATOM 778 CG ASN A 126 9.642 -14.468 -31.222 1.00 0.00 C ATOM 779 OD1 ASN A 126 10.061 -15.506 -30.709 1.00 0.00 O ATOM 780 ND2 ASN A 126 8.420 -14.073 -30.996 1.00 0.00 N ATOM 0 H ASN A 126 11.837 -12.810 -30.176 1.00 0.00 H new ATOM 0 HA ASN A 126 12.108 -15.096 -31.906 1.00 0.00 H new ATOM 0 HB2 ASN A 126 10.394 -12.576 -31.933 1.00 0.00 H new ATOM 0 HB3 ASN A 126 10.281 -13.809 -33.173 1.00 0.00 H new ATOM 0 HD21 ASN A 126 7.809 -14.624 -30.393 1.00 0.00 H new ATOM 0 HD22 ASN A 126 8.075 -13.213 -31.422 1.00 0.00 H new ATOM 787 N TYR A 127 13.126 -12.122 -32.917 1.00 0.00 N ATOM 788 CA TYR A 127 13.950 -11.450 -33.914 1.00 0.00 C ATOM 789 C TYR A 127 15.295 -12.150 -34.045 1.00 0.00 C ATOM 790 O TYR A 127 15.765 -12.410 -35.152 1.00 0.00 O ATOM 791 CB TYR A 127 14.159 -9.986 -33.520 1.00 0.00 C ATOM 792 CG TYR A 127 15.370 -9.439 -34.237 1.00 0.00 C ATOM 793 CD1 TYR A 127 15.342 -9.245 -35.621 1.00 0.00 C ATOM 794 CD2 TYR A 127 16.525 -9.127 -33.512 1.00 0.00 C ATOM 795 CE1 TYR A 127 16.472 -8.740 -36.277 1.00 0.00 C ATOM 796 CE2 TYR A 127 17.651 -8.623 -34.163 1.00 0.00 C ATOM 797 CZ TYR A 127 17.626 -8.429 -35.548 1.00 0.00 C ATOM 798 OH TYR A 127 18.740 -7.933 -36.197 1.00 0.00 O ATOM 0 H TYR A 127 12.773 -11.515 -32.177 1.00 0.00 H new ATOM 0 HA TYR A 127 13.438 -11.490 -34.876 1.00 0.00 H new ATOM 0 HB2 TYR A 127 13.276 -9.400 -33.776 1.00 0.00 H new ATOM 0 HB3 TYR A 127 14.294 -9.904 -32.441 1.00 0.00 H new ATOM 0 HD1 TYR A 127 14.451 -9.484 -36.183 1.00 0.00 H new ATOM 0 HD2 TYR A 127 16.545 -9.277 -32.443 1.00 0.00 H new ATOM 0 HE1 TYR A 127 16.453 -8.590 -37.346 1.00 0.00 H new ATOM 0 HE2 TYR A 127 18.540 -8.383 -33.599 1.00 0.00 H new ATOM 0 HH TYR A 127 19.453 -7.769 -35.545 1.00 0.00 H new ATOM 808 N LEU A 128 15.906 -12.459 -32.909 1.00 0.00 N ATOM 809 CA LEU A 128 17.196 -13.136 -32.912 1.00 0.00 C ATOM 810 C LEU A 128 17.057 -14.551 -33.461 1.00 0.00 C ATOM 811 O LEU A 128 17.907 -15.023 -34.217 1.00 0.00 O ATOM 812 CB LEU A 128 17.748 -13.196 -31.485 1.00 0.00 C ATOM 813 CG LEU A 128 17.964 -11.776 -30.959 1.00 0.00 C ATOM 814 CD1 LEU A 128 18.436 -11.832 -29.507 1.00 0.00 C ATOM 815 CD2 LEU A 128 19.012 -11.057 -31.808 1.00 0.00 C ATOM 0 H LEU A 128 15.534 -12.254 -31.982 1.00 0.00 H new ATOM 0 HA LEU A 128 17.881 -12.577 -33.550 1.00 0.00 H new ATOM 0 HB2 LEU A 128 17.054 -13.733 -30.838 1.00 0.00 H new ATOM 0 HB3 LEU A 128 18.688 -13.747 -31.471 1.00 0.00 H new ATOM 0 HG LEU A 128 17.022 -11.230 -31.015 1.00 0.00 H new ATOM 0 HD11 LEU A 128 18.589 -10.819 -29.135 1.00 0.00 H new ATOM 0 HD12 LEU A 128 17.683 -12.332 -28.899 1.00 0.00 H new ATOM 0 HD13 LEU A 128 19.374 -12.385 -29.450 1.00 0.00 H new ATOM 0 HD21 LEU A 128 19.159 -10.047 -31.426 1.00 0.00 H new ATOM 0 HD22 LEU A 128 19.954 -11.603 -31.762 1.00 0.00 H new ATOM 0 HD23 LEU A 128 18.671 -11.008 -32.842 1.00 0.00 H new ATOM 827 N HIS A 129 15.978 -15.221 -33.078 1.00 0.00 N ATOM 828 CA HIS A 129 15.729 -16.586 -33.535 1.00 0.00 C ATOM 829 C HIS A 129 15.585 -16.625 -35.053 1.00 0.00 C ATOM 830 O HIS A 129 16.069 -17.547 -35.711 1.00 0.00 O ATOM 831 CB HIS A 129 14.458 -17.137 -32.888 1.00 0.00 C ATOM 832 CG HIS A 129 14.330 -18.603 -33.204 1.00 0.00 C ATOM 833 ND1 HIS A 129 13.785 -19.058 -34.396 1.00 0.00 N ATOM 834 CD2 HIS A 129 14.668 -19.729 -32.494 1.00 0.00 C ATOM 835 CE1 HIS A 129 13.812 -20.404 -34.367 1.00 0.00 C ATOM 836 NE2 HIS A 129 14.342 -20.864 -33.230 1.00 0.00 N ATOM 0 H HIS A 129 15.263 -14.846 -32.455 1.00 0.00 H new ATOM 0 HA HIS A 129 16.579 -17.203 -33.243 1.00 0.00 H new ATOM 0 HB2 HIS A 129 14.492 -16.988 -31.809 1.00 0.00 H new ATOM 0 HB3 HIS A 129 13.586 -16.597 -33.257 1.00 0.00 H new ATOM 0 HD2 HIS A 129 15.119 -19.733 -31.513 1.00 0.00 H new ATOM 0 HE1 HIS A 129 13.450 -21.035 -35.165 1.00 0.00 H new ATOM 0 HE2 HIS A 129 14.478 -21.838 -32.960 1.00 0.00 H new ATOM 845 N LYS A 130 14.919 -15.615 -35.604 1.00 0.00 N ATOM 846 CA LYS A 130 14.723 -15.538 -37.049 1.00 0.00 C ATOM 847 C LYS A 130 16.054 -15.380 -37.777 1.00 0.00 C ATOM 848 O LYS A 130 16.277 -15.984 -38.827 1.00 0.00 O ATOM 849 CB LYS A 130 13.810 -14.360 -37.389 1.00 0.00 C ATOM 850 CG LYS A 130 12.381 -14.670 -36.938 1.00 0.00 C ATOM 851 CD LYS A 130 11.469 -13.493 -37.284 1.00 0.00 C ATOM 852 CE LYS A 130 10.039 -13.808 -36.839 1.00 0.00 C ATOM 853 NZ LYS A 130 9.149 -12.660 -37.178 1.00 0.00 N ATOM 0 H LYS A 130 14.509 -14.844 -35.077 1.00 0.00 H new ATOM 0 HA LYS A 130 14.259 -16.468 -37.377 1.00 0.00 H new ATOM 0 HB2 LYS A 130 14.169 -13.455 -36.898 1.00 0.00 H new ATOM 0 HB3 LYS A 130 13.830 -14.169 -38.462 1.00 0.00 H new ATOM 0 HG2 LYS A 130 12.023 -15.577 -37.426 1.00 0.00 H new ATOM 0 HG3 LYS A 130 12.360 -14.857 -35.864 1.00 0.00 H new ATOM 0 HD2 LYS A 130 11.823 -12.587 -36.792 1.00 0.00 H new ATOM 0 HD3 LYS A 130 11.494 -13.303 -38.357 1.00 0.00 H new ATOM 0 HE2 LYS A 130 9.685 -14.714 -37.331 1.00 0.00 H new ATOM 0 HE3 LYS A 130 10.014 -13.997 -35.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 8.177 -12.873 -36.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.484 -11.805 -36.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 9.165 -12.500 -38.205 1.00 0.00 H new ATOM 867 N ASN A 131 16.936 -14.567 -37.211 1.00 0.00 N ATOM 868 CA ASN A 131 18.246 -14.336 -37.814 1.00 0.00 C ATOM 869 C ASN A 131 19.146 -15.551 -37.628 1.00 0.00 C ATOM 870 O ASN A 131 20.197 -15.661 -38.261 1.00 0.00 O ATOM 871 CB ASN A 131 18.907 -13.107 -37.184 1.00 0.00 C ATOM 872 CG ASN A 131 18.272 -11.835 -37.732 1.00 0.00 C ATOM 873 OD1 ASN A 131 18.597 -11.404 -38.839 1.00 0.00 O ATOM 874 ND2 ASN A 131 17.379 -11.204 -37.024 1.00 0.00 N ATOM 0 H ASN A 131 16.772 -14.059 -36.342 1.00 0.00 H new ATOM 0 HA ASN A 131 18.104 -14.164 -38.881 1.00 0.00 H new ATOM 0 HB2 ASN A 131 18.797 -13.140 -36.100 1.00 0.00 H new ATOM 0 HB3 ASN A 131 19.976 -13.110 -37.396 1.00 0.00 H new ATOM 0 HD21 ASN A 131 16.949 -10.353 -37.386 1.00 0.00 H new ATOM 0 HD22 ASN A 131 17.110 -11.561 -36.107 1.00 0.00 H new ATOM 881 N GLY A 132 18.725 -16.463 -36.763 1.00 0.00 N ATOM 882 CA GLY A 132 19.496 -17.674 -36.503 1.00 0.00 C ATOM 883 C GLY A 132 20.628 -17.394 -35.522 1.00 0.00 C ATOM 884 O GLY A 132 21.354 -18.304 -35.125 1.00 0.00 O ATOM 0 H GLY A 132 17.858 -16.390 -36.231 1.00 0.00 H new ATOM 0 HA2 GLY A 132 18.842 -18.447 -36.100 1.00 0.00 H new ATOM 0 HA3 GLY A 132 19.905 -18.058 -37.438 1.00 0.00 H new ATOM 888 N GLU A 133 20.762 -16.130 -35.126 1.00 0.00 N ATOM 889 CA GLU A 133 21.805 -15.741 -34.182 1.00 0.00 C ATOM 890 C GLU A 133 21.204 -15.463 -32.809 1.00 0.00 C ATOM 891 O GLU A 133 20.673 -14.381 -32.565 1.00 0.00 O ATOM 892 CB GLU A 133 22.529 -14.493 -34.690 1.00 0.00 C ATOM 893 CG GLU A 133 23.387 -14.858 -35.904 1.00 0.00 C ATOM 894 CD GLU A 133 23.949 -13.593 -36.543 1.00 0.00 C ATOM 895 OE1 GLU A 133 23.492 -12.519 -36.188 1.00 0.00 O ATOM 896 OE2 GLU A 133 24.827 -13.716 -37.381 1.00 0.00 O ATOM 0 H GLU A 133 20.167 -15.364 -35.441 1.00 0.00 H new ATOM 0 HA GLU A 133 22.517 -16.561 -34.094 1.00 0.00 H new ATOM 0 HB2 GLU A 133 21.805 -13.725 -34.961 1.00 0.00 H new ATOM 0 HB3 GLU A 133 23.155 -14.077 -33.901 1.00 0.00 H new ATOM 0 HG2 GLU A 133 24.202 -15.515 -35.600 1.00 0.00 H new ATOM 0 HG3 GLU A 133 22.789 -15.408 -36.631 1.00 0.00 H new ATOM 903 N THR A 134 21.294 -16.444 -31.919 1.00 0.00 N ATOM 904 CA THR A 134 20.751 -16.292 -30.573 1.00 0.00 C ATOM 905 C THR A 134 21.868 -15.976 -29.582 1.00 0.00 C ATOM 906 O THR A 134 21.694 -16.113 -28.372 1.00 0.00 O ATOM 907 CB THR A 134 20.037 -17.577 -30.146 1.00 0.00 C ATOM 908 OG1 THR A 134 20.993 -18.617 -29.990 1.00 0.00 O ATOM 909 CG2 THR A 134 19.023 -17.976 -31.217 1.00 0.00 C ATOM 0 H THR A 134 21.734 -17.346 -32.102 1.00 0.00 H new ATOM 0 HA THR A 134 20.038 -15.468 -30.580 1.00 0.00 H new ATOM 0 HB THR A 134 19.521 -17.410 -29.201 1.00 0.00 H new ATOM 0 HG1 THR A 134 20.539 -19.441 -29.715 1.00 0.00 H new ATOM 0 HG21 THR A 134 18.514 -18.891 -30.914 1.00 0.00 H new ATOM 0 HG22 THR A 134 18.291 -17.178 -31.341 1.00 0.00 H new ATOM 0 HG23 THR A 134 19.539 -18.144 -32.162 1.00 0.00 H new ATOM 917 N SER A 135 23.016 -15.559 -30.106 1.00 0.00 N ATOM 918 CA SER A 135 24.159 -15.231 -29.263 1.00 0.00 C ATOM 919 C SER A 135 23.802 -14.100 -28.302 1.00 0.00 C ATOM 920 O SER A 135 24.213 -14.106 -27.142 1.00 0.00 O ATOM 921 CB SER A 135 25.347 -14.814 -30.128 1.00 0.00 C ATOM 922 OG SER A 135 25.762 -15.918 -30.923 1.00 0.00 O ATOM 0 H SER A 135 23.179 -15.441 -31.106 1.00 0.00 H new ATOM 0 HA SER A 135 24.428 -16.115 -28.686 1.00 0.00 H new ATOM 0 HB2 SER A 135 25.070 -13.975 -30.767 1.00 0.00 H new ATOM 0 HB3 SER A 135 26.169 -14.476 -29.498 1.00 0.00 H new ATOM 0 HG SER A 135 26.523 -15.652 -31.480 1.00 0.00 H new ATOM 928 N LEU A 136 23.036 -13.131 -28.794 1.00 0.00 N ATOM 929 CA LEU A 136 22.632 -12.002 -27.970 1.00 0.00 C ATOM 930 C LEU A 136 21.595 -12.428 -26.951 1.00 0.00 C ATOM 931 O LEU A 136 20.876 -13.408 -27.163 1.00 0.00 O ATOM 932 CB LEU A 136 22.063 -10.886 -28.854 1.00 0.00 C ATOM 933 CG LEU A 136 23.140 -9.827 -29.104 1.00 0.00 C ATOM 934 CD1 LEU A 136 23.483 -9.112 -27.791 1.00 0.00 C ATOM 935 CD2 LEU A 136 24.398 -10.504 -29.658 1.00 0.00 C ATOM 0 H LEU A 136 22.686 -13.106 -29.752 1.00 0.00 H new ATOM 0 HA LEU A 136 23.509 -11.631 -27.440 1.00 0.00 H new ATOM 0 HB2 LEU A 136 21.719 -11.299 -29.802 1.00 0.00 H new ATOM 0 HB3 LEU A 136 21.198 -10.432 -28.371 1.00 0.00 H new ATOM 0 HG LEU A 136 22.767 -9.097 -29.823 1.00 0.00 H new ATOM 0 HD11 LEU A 136 24.250 -8.360 -27.976 1.00 0.00 H new ATOM 0 HD12 LEU A 136 22.589 -8.629 -27.395 1.00 0.00 H new ATOM 0 HD13 LEU A 136 23.854 -9.838 -27.067 1.00 0.00 H new ATOM 0 HD21 LEU A 136 25.167 -9.752 -29.837 1.00 0.00 H new ATOM 0 HD22 LEU A 136 24.766 -11.234 -28.937 1.00 0.00 H new ATOM 0 HD23 LEU A 136 24.158 -11.008 -30.594 1.00 0.00 H new ATOM 947 N LYS A 137 21.527 -11.690 -25.839 1.00 0.00 N ATOM 948 CA LYS A 137 20.584 -12.011 -24.799 1.00 0.00 C ATOM 949 C LYS A 137 19.726 -10.790 -24.434 1.00 0.00 C ATOM 950 O LYS A 137 20.194 -9.653 -24.515 1.00 0.00 O ATOM 951 CB LYS A 137 21.312 -12.509 -23.553 1.00 0.00 C ATOM 952 CG LYS A 137 22.014 -13.828 -23.874 1.00 0.00 C ATOM 953 CD LYS A 137 22.917 -14.224 -22.704 1.00 0.00 C ATOM 954 CE LYS A 137 24.327 -13.685 -22.947 1.00 0.00 C ATOM 955 NZ LYS A 137 24.941 -14.403 -24.099 1.00 0.00 N ATOM 0 H LYS A 137 22.113 -10.877 -25.650 1.00 0.00 H new ATOM 0 HA LYS A 137 19.931 -12.798 -25.177 1.00 0.00 H new ATOM 0 HB2 LYS A 137 22.039 -11.768 -23.221 1.00 0.00 H new ATOM 0 HB3 LYS A 137 20.605 -12.649 -22.736 1.00 0.00 H new ATOM 0 HG2 LYS A 137 21.277 -14.609 -24.058 1.00 0.00 H new ATOM 0 HG3 LYS A 137 22.605 -13.726 -24.784 1.00 0.00 H new ATOM 0 HD2 LYS A 137 22.519 -13.825 -21.771 1.00 0.00 H new ATOM 0 HD3 LYS A 137 22.943 -15.309 -22.601 1.00 0.00 H new ATOM 0 HE2 LYS A 137 24.289 -12.615 -23.150 1.00 0.00 H new ATOM 0 HE3 LYS A 137 24.938 -13.818 -22.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 25.975 -14.416 -23.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 24.584 -15.379 -24.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 24.693 -13.916 -24.984 1.00 0.00 H new ATOM 969 N PRO A 138 18.501 -11.003 -24.009 1.00 0.00 N ATOM 970 CA PRO A 138 17.586 -9.892 -23.607 1.00 0.00 C ATOM 971 C PRO A 138 18.232 -8.957 -22.583 1.00 0.00 C ATOM 972 O PRO A 138 17.873 -7.785 -22.485 1.00 0.00 O ATOM 973 CB PRO A 138 16.391 -10.624 -22.985 1.00 0.00 C ATOM 974 CG PRO A 138 16.400 -11.983 -23.588 1.00 0.00 C ATOM 975 CD PRO A 138 17.843 -12.316 -23.885 1.00 0.00 C ATOM 0 HA PRO A 138 17.319 -9.254 -24.450 1.00 0.00 H new ATOM 0 HB2 PRO A 138 16.484 -10.675 -21.900 1.00 0.00 H new ATOM 0 HB3 PRO A 138 15.457 -10.105 -23.201 1.00 0.00 H new ATOM 0 HG2 PRO A 138 15.967 -12.713 -22.904 1.00 0.00 H new ATOM 0 HG3 PRO A 138 15.802 -12.006 -24.499 1.00 0.00 H new ATOM 0 HD2 PRO A 138 18.287 -12.910 -23.086 1.00 0.00 H new ATOM 0 HD3 PRO A 138 17.937 -12.896 -24.803 1.00 0.00 H new ATOM 983 N GLU A 139 19.188 -9.484 -21.827 1.00 0.00 N ATOM 984 CA GLU A 139 19.878 -8.691 -20.818 1.00 0.00 C ATOM 985 C GLU A 139 20.727 -7.609 -21.475 1.00 0.00 C ATOM 986 O GLU A 139 21.333 -6.783 -20.793 1.00 0.00 O ATOM 987 CB GLU A 139 20.766 -9.590 -19.950 1.00 0.00 C ATOM 988 CG GLU A 139 19.890 -10.479 -19.059 1.00 0.00 C ATOM 989 CD GLU A 139 19.286 -11.609 -19.880 1.00 0.00 C ATOM 990 OE1 GLU A 139 20.040 -12.292 -20.547 1.00 0.00 O ATOM 991 OE2 GLU A 139 18.078 -11.769 -19.839 1.00 0.00 O ATOM 0 H GLU A 139 19.502 -10.452 -21.893 1.00 0.00 H new ATOM 0 HA GLU A 139 19.128 -8.215 -20.187 1.00 0.00 H new ATOM 0 HB2 GLU A 139 21.403 -10.208 -20.583 1.00 0.00 H new ATOM 0 HB3 GLU A 139 21.426 -8.979 -19.334 1.00 0.00 H new ATOM 0 HG2 GLU A 139 20.486 -10.890 -18.244 1.00 0.00 H new ATOM 0 HG3 GLU A 139 19.097 -9.884 -18.606 1.00 0.00 H new ATOM 998 N ASP A 140 20.764 -7.619 -22.803 1.00 0.00 N ATOM 999 CA ASP A 140 21.539 -6.628 -23.539 1.00 0.00 C ATOM 1000 C ASP A 140 20.896 -5.247 -23.436 1.00 0.00 C ATOM 1001 O ASP A 140 21.590 -4.230 -23.427 1.00 0.00 O ATOM 1002 CB ASP A 140 21.638 -7.035 -25.010 1.00 0.00 C ATOM 1003 CG ASP A 140 22.694 -6.190 -25.715 1.00 0.00 C ATOM 1004 OD1 ASP A 140 23.554 -5.662 -25.032 1.00 0.00 O ATOM 1005 OD2 ASP A 140 22.623 -6.082 -26.928 1.00 0.00 O ATOM 0 H ASP A 140 20.272 -8.295 -23.387 1.00 0.00 H new ATOM 0 HA ASP A 140 22.536 -6.581 -23.102 1.00 0.00 H new ATOM 0 HB2 ASP A 140 21.895 -8.091 -25.087 1.00 0.00 H new ATOM 0 HB3 ASP A 140 20.672 -6.905 -25.498 1.00 0.00 H new ATOM 1010 N PHE A 141 19.567 -5.222 -23.357 1.00 0.00 N ATOM 1011 CA PHE A 141 18.838 -3.960 -23.252 1.00 0.00 C ATOM 1012 C PHE A 141 18.191 -3.836 -21.875 1.00 0.00 C ATOM 1013 O PHE A 141 17.413 -4.696 -21.465 1.00 0.00 O ATOM 1014 CB PHE A 141 17.759 -3.884 -24.336 1.00 0.00 C ATOM 1015 CG PHE A 141 16.552 -4.677 -23.905 1.00 0.00 C ATOM 1016 CD1 PHE A 141 16.514 -6.063 -24.101 1.00 0.00 C ATOM 1017 CD2 PHE A 141 15.470 -4.024 -23.300 1.00 0.00 C ATOM 1018 CE1 PHE A 141 15.391 -6.793 -23.695 1.00 0.00 C ATOM 1019 CE2 PHE A 141 14.351 -4.757 -22.895 1.00 0.00 C ATOM 1020 CZ PHE A 141 14.311 -6.140 -23.092 1.00 0.00 C ATOM 0 H PHE A 141 18.977 -6.054 -23.364 1.00 0.00 H new ATOM 0 HA PHE A 141 19.543 -3.140 -23.389 1.00 0.00 H new ATOM 0 HB2 PHE A 141 17.480 -2.845 -24.513 1.00 0.00 H new ATOM 0 HB3 PHE A 141 18.146 -4.275 -25.277 1.00 0.00 H new ATOM 0 HD1 PHE A 141 17.349 -6.567 -24.564 1.00 0.00 H new ATOM 0 HD2 PHE A 141 15.501 -2.955 -23.147 1.00 0.00 H new ATOM 0 HE1 PHE A 141 15.358 -7.862 -23.847 1.00 0.00 H new ATOM 0 HE2 PHE A 141 13.516 -4.254 -22.429 1.00 0.00 H new ATOM 0 HZ PHE A 141 13.446 -6.705 -22.778 1.00 0.00 H new ATOM 1030 N ASP A 142 18.529 -2.764 -21.166 1.00 0.00 N ATOM 1031 CA ASP A 142 17.981 -2.532 -19.833 1.00 0.00 C ATOM 1032 C ASP A 142 17.234 -1.204 -19.779 1.00 0.00 C ATOM 1033 O ASP A 142 17.723 -0.187 -20.267 1.00 0.00 O ATOM 1034 CB ASP A 142 19.106 -2.533 -18.798 1.00 0.00 C ATOM 1035 CG ASP A 142 19.648 -3.949 -18.619 1.00 0.00 C ATOM 1036 OD1 ASP A 142 18.998 -4.875 -19.080 1.00 0.00 O ATOM 1037 OD2 ASP A 142 20.702 -4.087 -18.023 1.00 0.00 O ATOM 0 H ASP A 142 19.176 -2.045 -21.489 1.00 0.00 H new ATOM 0 HA ASP A 142 17.280 -3.335 -19.607 1.00 0.00 H new ATOM 0 HB2 ASP A 142 19.906 -1.866 -19.118 1.00 0.00 H new ATOM 0 HB3 ASP A 142 18.736 -2.153 -17.846 1.00 0.00 H new ATOM 1042 N PHE A 143 16.050 -1.220 -19.177 1.00 0.00 N ATOM 1043 CA PHE A 143 15.250 -0.006 -19.058 1.00 0.00 C ATOM 1044 C PHE A 143 15.957 1.014 -18.168 1.00 0.00 C ATOM 1045 O PHE A 143 17.083 1.422 -18.451 1.00 0.00 O ATOM 1046 CB PHE A 143 13.880 -0.338 -18.466 1.00 0.00 C ATOM 1047 CG PHE A 143 13.118 -1.223 -19.421 1.00 0.00 C ATOM 1048 CD1 PHE A 143 12.419 -0.653 -20.492 1.00 0.00 C ATOM 1049 CD2 PHE A 143 13.112 -2.611 -19.240 1.00 0.00 C ATOM 1050 CE1 PHE A 143 11.713 -1.472 -21.381 1.00 0.00 C ATOM 1051 CE2 PHE A 143 12.405 -3.429 -20.128 1.00 0.00 C ATOM 1052 CZ PHE A 143 11.704 -2.860 -21.199 1.00 0.00 C ATOM 0 H PHE A 143 15.626 -2.052 -18.767 1.00 0.00 H new ATOM 0 HA PHE A 143 15.121 0.421 -20.053 1.00 0.00 H new ATOM 0 HB2 PHE A 143 13.999 -0.840 -17.506 1.00 0.00 H new ATOM 0 HB3 PHE A 143 13.321 0.579 -18.279 1.00 0.00 H new ATOM 0 HD1 PHE A 143 12.425 0.418 -20.632 1.00 0.00 H new ATOM 0 HD2 PHE A 143 13.653 -3.050 -18.415 1.00 0.00 H new ATOM 0 HE1 PHE A 143 11.175 -1.033 -22.208 1.00 0.00 H new ATOM 0 HE2 PHE A 143 12.400 -4.500 -19.988 1.00 0.00 H new ATOM 0 HZ PHE A 143 11.157 -3.491 -21.884 1.00 0.00 H new