USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 949 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 88 MET CE :methyl 157:sc= -3.62! (180deg=-4.61!) USER MOD Set 1.2: A 130 CYS SG : rot -106:sc= -0.185 USER MOD Set 1.3: A 174 ASN : amide:sc= -1.69! C(o=-5.5!,f=-7.9!) USER MOD Set 2.1: A 166 LYS NZ :NH3+ 151:sc= -0.0622 (180deg=-1.02) USER MOD Set 2.2: A 170 ASN : amide:sc= -0.563 X(o=-0.62,f=-1.1) USER MOD Set 3.1: A 127 GLN : amide:sc= 0.0875 X(o=-0.27,f=-0.28) USER MOD Set 3.2: A 163 HIS :FLIP no HE2:sc= -0.355 X(o=-0.42,f=-0.27) USER MOD Set 4.1: A 123 SER OG : rot -6:sc= 0.0902 USER MOD Set 4.2: A 167 MET CE :methyl -169:sc= 0 (180deg=-0.0361) USER MOD Set 5.1: A 47 SER OG : rot -58:sc= 0.716 USER MOD Set 5.2: A 48 SER OG : rot 178:sc= 0.508 USER MOD Set 6.1: A 34 MET CE :methyl 162:sc= -2.48 (180deg=-3.5!) USER MOD Set 6.2: A 38 ASN : amide:sc= -1.34 K(o=-3.8,f=-6.4!) USER MOD Single : A 16 GLN : amide:sc= -0.456 X(o=-0.46,f=-0.28) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.259 X(o=0.26,f=-0.019) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.11 USER MOD Single : A 25 MET CE :methyl -161:sc= -0.0298 (180deg=-0.272) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.62 K(o=-1.6,f=-3.1!) USER MOD Single : A 45 MET CE :methyl -155:sc= -6.52! (180deg=-8.08!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.83 X(o=-0.83,f=-1.2) USER MOD Single : A 58 MET CE :methyl -155:sc= -1.96 (180deg=-2.28) USER MOD Single : A 59 ASN :FLIP amide:sc= -1.26 F(o=-3.1,f=-1.3) USER MOD Single : A 64 THR OG1 : rot -34:sc= 0.416 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 140:sc= -0.712 USER MOD Single : A 71 LYS NZ :NH3+ -139:sc= -0.33 (180deg=-2.08!) USER MOD Single : A 72 ASN : amide:sc= -3.02! C(o=-3!,f=-3.9!) USER MOD Single : A 80 CYS SG : rot 168:sc= -1.02 USER MOD Single : A 86 SER OG : rot -33:sc= -0.0852 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-3.1!) USER MOD Single : A 96 THR OG1 : rot -51:sc= 1.03 USER MOD Single : A 101 MET CE :methyl 145:sc= -1.55 (180deg=-3.26!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 180:sc= -0.211 USER MOD Single : A 111 HIS :FLIP no HE2:sc= -11.6! C(o=-12!,f=-12!) USER MOD Single : A 115 CYS SG : rot 60:sc= -2.78! USER MOD Single : A 118 ASN :FLIP amide:sc= -5.84! C(o=-8.2!,f=-5.8!) USER MOD Single : A 121 ASN : amide:sc= -0.415 X(o=-0.42,f=0) USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 168 GLN : amide:sc= -0.0593 X(o=-0.059,f=0) USER MOD Single : A 169 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 178 N VAL A 15 7.204 0.715 14.165 1.00 0.00 N ATOM 179 CA VAL A 15 6.729 0.964 12.809 1.00 0.00 C ATOM 180 C VAL A 15 7.893 1.201 11.854 1.00 0.00 C ATOM 181 O VAL A 15 8.895 1.813 12.222 1.00 0.00 O ATOM 182 CB VAL A 15 5.783 2.179 12.760 1.00 0.00 C ATOM 183 CG1 VAL A 15 6.500 3.433 13.237 1.00 0.00 C ATOM 184 CG2 VAL A 15 5.235 2.370 11.354 1.00 0.00 C ATOM 0 HA VAL A 15 6.182 0.074 12.497 1.00 0.00 H new ATOM 0 HB VAL A 15 4.944 1.992 13.430 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.816 4.281 13.196 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.839 3.290 14.263 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.359 3.628 12.595 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.569 3.232 11.337 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.060 2.535 10.661 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.683 1.479 11.055 1.00 0.00 H new ATOM 194 N GLN A 16 7.753 0.712 10.626 1.00 0.00 N ATOM 195 CA GLN A 16 8.794 0.871 9.617 1.00 0.00 C ATOM 196 C GLN A 16 8.428 1.970 8.626 1.00 0.00 C ATOM 197 O GLN A 16 7.258 2.153 8.289 1.00 0.00 O ATOM 198 CB GLN A 16 9.019 -0.447 8.875 1.00 0.00 C ATOM 199 CG GLN A 16 9.359 -1.612 9.791 1.00 0.00 C ATOM 200 CD GLN A 16 8.126 -2.329 10.304 1.00 0.00 C ATOM 201 OE1 GLN A 16 7.935 -2.475 11.512 1.00 0.00 O ATOM 202 NE2 GLN A 16 7.280 -2.783 9.387 1.00 0.00 N ATOM 0 H GLN A 16 6.929 0.203 10.306 1.00 0.00 H new ATOM 0 HA GLN A 16 9.716 1.157 10.124 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.121 -0.692 8.307 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.826 -0.315 8.154 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.989 -2.320 9.253 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.941 -1.246 10.637 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.477 -2.640 8.396 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.433 -3.274 9.673 1.00 0.00 H new ATOM 211 N LYS A 17 9.435 2.701 8.162 1.00 0.00 N ATOM 212 CA LYS A 17 9.221 3.783 7.208 1.00 0.00 C ATOM 213 C LYS A 17 9.802 3.428 5.843 1.00 0.00 C ATOM 214 O LYS A 17 10.817 2.737 5.750 1.00 0.00 O ATOM 215 CB LYS A 17 9.855 5.077 7.723 1.00 0.00 C ATOM 216 CG LYS A 17 11.369 5.102 7.604 1.00 0.00 C ATOM 217 CD LYS A 17 12.026 4.244 8.673 1.00 0.00 C ATOM 218 CE LYS A 17 13.407 4.767 9.037 1.00 0.00 C ATOM 219 NZ LYS A 17 13.795 4.390 10.424 1.00 0.00 N ATOM 0 H LYS A 17 10.409 2.564 8.431 1.00 0.00 H new ATOM 0 HA LYS A 17 8.147 3.930 7.099 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.441 5.920 7.169 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.579 5.216 8.768 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.663 4.744 6.617 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.725 6.129 7.690 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.397 4.225 9.563 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.107 3.217 8.318 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.141 4.373 8.335 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.422 5.852 8.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.742 4.765 10.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.109 4.787 11.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.806 3.354 10.512 1.00 0.00 H new ATOM 233 N PHE A 18 9.153 3.905 4.786 1.00 0.00 N ATOM 234 CA PHE A 18 9.605 3.638 3.426 1.00 0.00 C ATOM 235 C PHE A 18 9.573 4.910 2.583 1.00 0.00 C ATOM 236 O PHE A 18 8.570 5.623 2.555 1.00 0.00 O ATOM 237 CB PHE A 18 8.733 2.561 2.778 1.00 0.00 C ATOM 238 CG PHE A 18 8.683 1.280 3.561 1.00 0.00 C ATOM 239 CD1 PHE A 18 9.743 0.387 3.523 1.00 0.00 C ATOM 240 CD2 PHE A 18 7.577 0.967 4.333 1.00 0.00 C ATOM 241 CE1 PHE A 18 9.700 -0.792 4.242 1.00 0.00 C ATOM 242 CE2 PHE A 18 7.528 -0.210 5.055 1.00 0.00 C ATOM 243 CZ PHE A 18 8.591 -1.092 5.008 1.00 0.00 C ATOM 0 H PHE A 18 8.312 4.479 4.845 1.00 0.00 H new ATOM 0 HA PHE A 18 10.634 3.281 3.475 1.00 0.00 H new ATOM 0 HB2 PHE A 18 7.720 2.946 2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.111 2.352 1.777 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.612 0.616 2.924 1.00 0.00 H new ATOM 0 HD2 PHE A 18 6.742 1.651 4.371 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.533 -1.478 4.205 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.660 -0.440 5.655 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.554 -2.014 5.569 1.00 0.00 H new ATOM 253 N ARG A 19 10.677 5.186 1.897 1.00 0.00 N ATOM 254 CA ARG A 19 10.777 6.371 1.054 1.00 0.00 C ATOM 255 C ARG A 19 9.884 6.241 -0.176 1.00 0.00 C ATOM 256 O ARG A 19 10.151 5.435 -1.067 1.00 0.00 O ATOM 257 CB ARG A 19 12.227 6.596 0.623 1.00 0.00 C ATOM 258 CG ARG A 19 12.491 7.990 0.076 1.00 0.00 C ATOM 259 CD ARG A 19 12.209 8.065 -1.416 1.00 0.00 C ATOM 260 NE ARG A 19 13.391 7.748 -2.213 1.00 0.00 N ATOM 261 CZ ARG A 19 14.377 8.608 -2.439 1.00 0.00 C ATOM 262 NH1 ARG A 19 14.324 9.831 -1.931 1.00 0.00 N ATOM 263 NH2 ARG A 19 15.420 8.245 -3.175 1.00 0.00 N ATOM 0 H ARG A 19 11.515 4.605 1.908 1.00 0.00 H new ATOM 0 HA ARG A 19 10.441 7.229 1.636 1.00 0.00 H new ATOM 0 HB2 ARG A 19 12.882 6.420 1.476 1.00 0.00 H new ATOM 0 HB3 ARG A 19 12.489 5.861 -0.138 1.00 0.00 H new ATOM 0 HG2 ARG A 19 11.867 8.713 0.602 1.00 0.00 H new ATOM 0 HG3 ARG A 19 13.528 8.266 0.266 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.405 7.373 -1.668 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.859 9.066 -1.669 1.00 0.00 H new ATOM 0 HE ARG A 19 13.463 6.815 -2.618 1.00 0.00 H new ATOM 0 HH11 ARG A 19 13.524 10.114 -1.365 1.00 0.00 H new ATOM 0 HH12 ARG A 19 15.083 10.489 -2.106 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.465 7.305 -3.568 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.177 8.906 -3.348 1.00 0.00 H new ATOM 277 N VAL A 20 8.821 7.039 -0.217 1.00 0.00 N ATOM 278 CA VAL A 20 7.889 7.013 -1.337 1.00 0.00 C ATOM 279 C VAL A 20 7.396 8.416 -1.675 1.00 0.00 C ATOM 280 O VAL A 20 7.815 9.395 -1.059 1.00 0.00 O ATOM 281 CB VAL A 20 6.675 6.113 -1.037 1.00 0.00 C ATOM 282 CG1 VAL A 20 7.116 4.671 -0.837 1.00 0.00 C ATOM 283 CG2 VAL A 20 5.923 6.623 0.183 1.00 0.00 C ATOM 0 H VAL A 20 8.585 7.711 0.513 1.00 0.00 H new ATOM 0 HA VAL A 20 8.432 6.606 -2.190 1.00 0.00 H new ATOM 0 HB VAL A 20 6.000 6.146 -1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.245 4.050 -0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.607 4.312 -1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.812 4.616 0.000 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.069 5.976 0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.587 6.621 1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.573 7.638 -0.003 1.00 0.00 H new ATOM 293 N GLN A 21 6.505 8.503 -2.657 1.00 0.00 N ATOM 294 CA GLN A 21 5.955 9.787 -3.076 1.00 0.00 C ATOM 295 C GLN A 21 4.433 9.731 -3.145 1.00 0.00 C ATOM 296 O GLN A 21 3.854 8.695 -3.474 1.00 0.00 O ATOM 297 CB GLN A 21 6.525 10.189 -4.438 1.00 0.00 C ATOM 298 CG GLN A 21 7.943 10.733 -4.367 1.00 0.00 C ATOM 299 CD GLN A 21 8.557 10.942 -5.737 1.00 0.00 C ATOM 300 OE1 GLN A 21 9.498 10.247 -6.121 1.00 0.00 O ATOM 301 NE2 GLN A 21 8.025 11.902 -6.484 1.00 0.00 N ATOM 0 H GLN A 21 6.149 7.701 -3.177 1.00 0.00 H new ATOM 0 HA GLN A 21 6.239 10.535 -2.336 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.510 9.323 -5.099 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.877 10.943 -4.886 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.938 11.680 -3.827 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.565 10.043 -3.796 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.246 12.454 -6.126 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.396 12.087 -7.416 1.00 0.00 H new ATOM 310 N TYR A 22 3.790 10.851 -2.834 1.00 0.00 N ATOM 311 CA TYR A 22 2.334 10.928 -2.858 1.00 0.00 C ATOM 312 C TYR A 22 1.841 11.514 -4.178 1.00 0.00 C ATOM 313 O TYR A 22 2.240 12.611 -4.572 1.00 0.00 O ATOM 314 CB TYR A 22 1.828 11.778 -1.691 1.00 0.00 C ATOM 315 CG TYR A 22 0.322 11.784 -1.554 1.00 0.00 C ATOM 316 CD1 TYR A 22 -0.405 10.601 -1.604 1.00 0.00 C ATOM 317 CD2 TYR A 22 -0.374 12.973 -1.374 1.00 0.00 C ATOM 318 CE1 TYR A 22 -1.780 10.602 -1.481 1.00 0.00 C ATOM 319 CE2 TYR A 22 -1.749 12.983 -1.248 1.00 0.00 C ATOM 320 CZ TYR A 22 -2.448 11.796 -1.303 1.00 0.00 C ATOM 321 OH TYR A 22 -3.819 11.801 -1.178 1.00 0.00 O ATOM 0 H TYR A 22 4.254 11.718 -2.562 1.00 0.00 H new ATOM 0 HA TYR A 22 1.941 9.916 -2.760 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.267 11.407 -0.765 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.177 12.803 -1.821 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.115 9.664 -1.741 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.170 13.905 -1.332 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.330 9.673 -1.524 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.274 13.916 -1.107 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.133 12.721 -1.058 1.00 0.00 H new ATOM 331 N LEU A 23 0.972 10.774 -4.857 1.00 0.00 N ATOM 332 CA LEU A 23 0.422 11.218 -6.134 1.00 0.00 C ATOM 333 C LEU A 23 -0.866 12.009 -5.926 1.00 0.00 C ATOM 334 O LEU A 23 -1.091 13.029 -6.575 1.00 0.00 O ATOM 335 CB LEU A 23 0.156 10.017 -7.042 1.00 0.00 C ATOM 336 CG LEU A 23 1.392 9.277 -7.556 1.00 0.00 C ATOM 337 CD1 LEU A 23 1.923 8.325 -6.496 1.00 0.00 C ATOM 338 CD2 LEU A 23 1.068 8.524 -8.838 1.00 0.00 C ATOM 0 H LEU A 23 0.633 9.864 -4.545 1.00 0.00 H new ATOM 0 HA LEU A 23 1.154 11.870 -6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.468 9.307 -6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.422 10.357 -7.901 1.00 0.00 H new ATOM 0 HG LEU A 23 2.167 10.012 -7.776 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.802 7.807 -6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.194 8.889 -5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.154 7.595 -6.244 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.959 8.003 -9.189 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.277 7.799 -8.644 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.736 9.229 -9.600 1.00 0.00 H new ATOM 350 N GLY A 24 -1.708 11.531 -5.015 1.00 0.00 N ATOM 351 CA GLY A 24 -2.962 12.206 -4.737 1.00 0.00 C ATOM 352 C GLY A 24 -4.038 11.255 -4.255 1.00 0.00 C ATOM 353 O GLY A 24 -3.799 10.055 -4.116 1.00 0.00 O ATOM 0 H GLY A 24 -1.544 10.688 -4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.797 12.976 -3.983 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.306 12.712 -5.639 1.00 0.00 H new ATOM 357 N MET A 25 -5.227 11.790 -3.997 1.00 0.00 N ATOM 358 CA MET A 25 -6.345 10.979 -3.527 1.00 0.00 C ATOM 359 C MET A 25 -7.383 10.794 -4.628 1.00 0.00 C ATOM 360 O MET A 25 -7.693 11.730 -5.367 1.00 0.00 O ATOM 361 CB MET A 25 -6.993 11.627 -2.302 1.00 0.00 C ATOM 362 CG MET A 25 -7.810 10.658 -1.463 1.00 0.00 C ATOM 363 SD MET A 25 -9.334 10.147 -2.280 1.00 0.00 S ATOM 364 CE MET A 25 -10.378 11.569 -1.972 1.00 0.00 C ATOM 0 H MET A 25 -5.441 12.781 -4.105 1.00 0.00 H new ATOM 0 HA MET A 25 -5.959 9.999 -3.249 1.00 0.00 H new ATOM 0 HB2 MET A 25 -6.214 12.067 -1.679 1.00 0.00 H new ATOM 0 HB3 MET A 25 -7.637 12.443 -2.631 1.00 0.00 H new ATOM 0 HG2 MET A 25 -7.207 9.777 -1.242 1.00 0.00 H new ATOM 0 HG3 MET A 25 -8.053 11.125 -0.509 1.00 0.00 H new ATOM 0 HE1 MET A 25 -11.423 11.289 -2.105 1.00 0.00 H new ATOM 0 HE2 MET A 25 -10.223 11.920 -0.952 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.124 12.365 -2.672 1.00 0.00 H new ATOM 374 N LEU A 26 -7.918 9.582 -4.734 1.00 0.00 N ATOM 375 CA LEU A 26 -8.922 9.274 -5.746 1.00 0.00 C ATOM 376 C LEU A 26 -9.963 8.301 -5.202 1.00 0.00 C ATOM 377 O LEU A 26 -9.663 7.154 -4.872 1.00 0.00 O ATOM 378 CB LEU A 26 -8.256 8.684 -6.990 1.00 0.00 C ATOM 379 CG LEU A 26 -9.094 8.695 -8.269 1.00 0.00 C ATOM 380 CD1 LEU A 26 -10.435 8.015 -8.035 1.00 0.00 C ATOM 381 CD2 LEU A 26 -9.296 10.120 -8.762 1.00 0.00 C ATOM 0 H LEU A 26 -7.673 8.797 -4.131 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.426 10.202 -6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.334 9.233 -7.179 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.974 7.654 -6.773 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.557 8.139 -9.037 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.017 8.033 -8.956 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.271 6.982 -7.729 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.979 8.543 -7.252 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.894 10.108 -9.673 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.811 10.700 -7.997 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.327 10.574 -8.970 1.00 0.00 H new ATOM 393 N PRO A 27 -11.217 8.768 -5.107 1.00 0.00 N ATOM 394 CA PRO A 27 -12.329 7.954 -4.606 1.00 0.00 C ATOM 395 C PRO A 27 -12.712 6.839 -5.573 1.00 0.00 C ATOM 396 O PRO A 27 -12.661 7.014 -6.790 1.00 0.00 O ATOM 397 CB PRO A 27 -13.473 8.962 -4.471 1.00 0.00 C ATOM 398 CG PRO A 27 -13.147 10.039 -5.448 1.00 0.00 C ATOM 399 CD PRO A 27 -11.646 10.126 -5.483 1.00 0.00 C ATOM 0 HA PRO A 27 -12.077 7.448 -3.674 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.435 8.501 -4.696 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.537 9.354 -3.456 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.547 9.805 -6.434 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.586 10.989 -5.143 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.282 10.403 -6.473 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.270 10.874 -4.785 1.00 0.00 H new ATOM 407 N VAL A 28 -13.097 5.692 -5.022 1.00 0.00 N ATOM 408 CA VAL A 28 -13.491 4.548 -5.836 1.00 0.00 C ATOM 409 C VAL A 28 -14.944 4.164 -5.577 1.00 0.00 C ATOM 410 O VAL A 28 -15.514 4.513 -4.544 1.00 0.00 O ATOM 411 CB VAL A 28 -12.592 3.328 -5.562 1.00 0.00 C ATOM 412 CG1 VAL A 28 -11.141 3.651 -5.882 1.00 0.00 C ATOM 413 CG2 VAL A 28 -12.740 2.872 -4.118 1.00 0.00 C ATOM 0 H VAL A 28 -13.144 5.530 -4.016 1.00 0.00 H new ATOM 0 HA VAL A 28 -13.377 4.847 -6.878 1.00 0.00 H new ATOM 0 HB VAL A 28 -12.908 2.512 -6.211 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.521 2.777 -5.682 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -11.053 3.926 -6.933 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.808 4.482 -5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.098 2.009 -3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.451 3.683 -3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -13.778 2.597 -3.928 1.00 0.00 H new ATOM 423 N ASP A 29 -15.537 3.443 -6.522 1.00 0.00 N ATOM 424 CA ASP A 29 -16.923 3.009 -6.397 1.00 0.00 C ATOM 425 C ASP A 29 -17.006 1.646 -5.715 1.00 0.00 C ATOM 426 O ASP A 29 -17.896 1.403 -4.900 1.00 0.00 O ATOM 427 CB ASP A 29 -17.587 2.946 -7.773 1.00 0.00 C ATOM 428 CG ASP A 29 -17.917 4.321 -8.320 1.00 0.00 C ATOM 429 OD1 ASP A 29 -18.159 5.239 -7.509 1.00 0.00 O ATOM 430 OD2 ASP A 29 -17.934 4.478 -9.559 1.00 0.00 O ATOM 0 H ASP A 29 -15.079 3.147 -7.384 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.451 3.737 -5.781 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -16.925 2.430 -8.469 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -18.501 2.356 -7.705 1.00 0.00 H new ATOM 435 N ARG A 30 -16.074 0.762 -6.055 1.00 0.00 N ATOM 436 CA ARG A 30 -16.044 -0.576 -5.478 1.00 0.00 C ATOM 437 C ARG A 30 -14.747 -0.807 -4.709 1.00 0.00 C ATOM 438 O ARG A 30 -13.679 -0.323 -5.084 1.00 0.00 O ATOM 439 CB ARG A 30 -16.194 -1.631 -6.575 1.00 0.00 C ATOM 440 CG ARG A 30 -17.634 -1.869 -6.999 1.00 0.00 C ATOM 441 CD ARG A 30 -18.283 -2.968 -6.173 1.00 0.00 C ATOM 442 NE ARG A 30 -19.650 -3.245 -6.608 1.00 0.00 N ATOM 443 CZ ARG A 30 -20.292 -4.376 -6.339 1.00 0.00 C ATOM 444 NH1 ARG A 30 -19.695 -5.331 -5.640 1.00 0.00 N ATOM 445 NH2 ARG A 30 -21.535 -4.553 -6.769 1.00 0.00 N ATOM 0 H ARG A 30 -15.330 0.948 -6.727 1.00 0.00 H new ATOM 0 HA ARG A 30 -16.879 -0.664 -4.783 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -15.614 -1.323 -7.445 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -15.767 -2.571 -6.224 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -18.204 -0.946 -6.890 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -17.664 -2.140 -8.054 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -17.687 -3.878 -6.248 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -18.289 -2.677 -5.123 1.00 0.00 H new ATOM 0 HE ARG A 30 -20.138 -2.530 -7.148 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -18.740 -5.198 -5.307 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -20.191 -6.199 -5.435 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -21.998 -3.820 -7.307 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -22.027 -5.422 -6.562 1.00 0.00 H new ATOM 459 N PRO A 31 -14.839 -1.564 -3.606 1.00 0.00 N ATOM 460 CA PRO A 31 -13.683 -1.877 -2.760 1.00 0.00 C ATOM 461 C PRO A 31 -12.703 -2.822 -3.446 1.00 0.00 C ATOM 462 O PRO A 31 -11.489 -2.706 -3.274 1.00 0.00 O ATOM 463 CB PRO A 31 -14.309 -2.551 -1.537 1.00 0.00 C ATOM 464 CG PRO A 31 -15.594 -3.119 -2.034 1.00 0.00 C ATOM 465 CD PRO A 31 -16.080 -2.175 -3.099 1.00 0.00 C ATOM 0 HA PRO A 31 -13.100 -0.987 -2.521 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -13.659 -3.330 -1.139 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -14.477 -1.835 -0.733 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -15.447 -4.121 -2.438 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -16.321 -3.204 -1.227 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.620 -2.701 -3.886 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.760 -1.426 -2.692 1.00 0.00 H new ATOM 473 N VAL A 32 -13.236 -3.759 -4.224 1.00 0.00 N ATOM 474 CA VAL A 32 -12.408 -4.724 -4.937 1.00 0.00 C ATOM 475 C VAL A 32 -12.570 -4.578 -6.446 1.00 0.00 C ATOM 476 O VAL A 32 -13.631 -4.190 -6.932 1.00 0.00 O ATOM 477 CB VAL A 32 -12.754 -6.169 -4.531 1.00 0.00 C ATOM 478 CG1 VAL A 32 -12.515 -6.377 -3.044 1.00 0.00 C ATOM 479 CG2 VAL A 32 -14.193 -6.495 -4.899 1.00 0.00 C ATOM 0 H VAL A 32 -14.238 -3.870 -4.376 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.373 -4.516 -4.664 1.00 0.00 H new ATOM 0 HB VAL A 32 -12.100 -6.849 -5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.765 -7.403 -2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.467 -6.187 -2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.142 -5.690 -2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -14.421 -7.520 -4.605 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -14.865 -5.811 -4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -14.326 -6.388 -5.976 1.00 0.00 H new ATOM 489 N GLY A 33 -11.509 -4.894 -7.183 1.00 0.00 N ATOM 490 CA GLY A 33 -11.555 -4.793 -8.630 1.00 0.00 C ATOM 491 C GLY A 33 -10.386 -4.009 -9.193 1.00 0.00 C ATOM 492 O GLY A 33 -10.356 -2.782 -9.111 1.00 0.00 O ATOM 0 H GLY A 33 -10.619 -5.218 -6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.559 -5.794 -9.061 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.487 -4.314 -8.928 1.00 0.00 H new ATOM 496 N MET A 34 -9.420 -4.720 -9.766 1.00 0.00 N ATOM 497 CA MET A 34 -8.243 -4.083 -10.345 1.00 0.00 C ATOM 498 C MET A 34 -8.646 -2.982 -11.321 1.00 0.00 C ATOM 499 O MET A 34 -7.930 -1.993 -11.486 1.00 0.00 O ATOM 500 CB MET A 34 -7.374 -5.120 -11.058 1.00 0.00 C ATOM 501 CG MET A 34 -6.325 -5.755 -10.160 1.00 0.00 C ATOM 502 SD MET A 34 -4.770 -4.841 -10.156 1.00 0.00 S ATOM 503 CE MET A 34 -4.924 -3.918 -8.628 1.00 0.00 C ATOM 0 H MET A 34 -9.429 -5.737 -9.842 1.00 0.00 H new ATOM 0 HA MET A 34 -7.668 -3.634 -9.535 1.00 0.00 H new ATOM 0 HB2 MET A 34 -8.015 -5.903 -11.463 1.00 0.00 H new ATOM 0 HB3 MET A 34 -6.877 -4.645 -11.904 1.00 0.00 H new ATOM 0 HG2 MET A 34 -6.711 -5.813 -9.142 1.00 0.00 H new ATOM 0 HG3 MET A 34 -6.140 -6.777 -10.490 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.942 -3.561 -8.318 1.00 0.00 H new ATOM 0 HE2 MET A 34 -5.587 -3.067 -8.782 1.00 0.00 H new ATOM 0 HE3 MET A 34 -5.336 -4.564 -7.853 1.00 0.00 H new ATOM 513 N ASP A 35 -9.794 -3.159 -11.965 1.00 0.00 N ATOM 514 CA ASP A 35 -10.291 -2.180 -12.924 1.00 0.00 C ATOM 515 C ASP A 35 -10.549 -0.837 -12.247 1.00 0.00 C ATOM 516 O ASP A 35 -10.501 0.213 -12.887 1.00 0.00 O ATOM 517 CB ASP A 35 -11.575 -2.687 -13.583 1.00 0.00 C ATOM 518 CG ASP A 35 -11.321 -3.839 -14.536 1.00 0.00 C ATOM 519 OD1 ASP A 35 -11.205 -4.987 -14.059 1.00 0.00 O ATOM 520 OD2 ASP A 35 -11.238 -3.592 -15.757 1.00 0.00 O ATOM 0 H ASP A 35 -10.398 -3.971 -11.840 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.528 -2.040 -13.690 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.275 -3.006 -12.811 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.049 -1.869 -14.125 1.00 0.00 H new ATOM 525 N THR A 36 -10.822 -0.880 -10.946 1.00 0.00 N ATOM 526 CA THR A 36 -11.090 0.332 -10.182 1.00 0.00 C ATOM 527 C THR A 36 -9.820 0.857 -9.522 1.00 0.00 C ATOM 528 O THR A 36 -9.529 2.053 -9.575 1.00 0.00 O ATOM 529 CB THR A 36 -12.155 0.089 -9.097 1.00 0.00 C ATOM 530 OG1 THR A 36 -13.317 -0.515 -9.678 1.00 0.00 O ATOM 531 CG2 THR A 36 -12.542 1.393 -8.415 1.00 0.00 C ATOM 0 H THR A 36 -10.863 -1.741 -10.400 1.00 0.00 H new ATOM 0 HA THR A 36 -11.464 1.074 -10.888 1.00 0.00 H new ATOM 0 HB THR A 36 -11.733 -0.582 -8.349 1.00 0.00 H new ATOM 0 HG1 THR A 36 -13.989 -0.668 -8.981 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.296 1.195 -7.653 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.661 1.835 -7.949 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.947 2.084 -9.154 1.00 0.00 H new ATOM 539 N LEU A 37 -9.066 -0.043 -8.901 1.00 0.00 N ATOM 540 CA LEU A 37 -7.825 0.330 -8.230 1.00 0.00 C ATOM 541 C LEU A 37 -6.877 1.038 -9.193 1.00 0.00 C ATOM 542 O LEU A 37 -6.299 2.072 -8.862 1.00 0.00 O ATOM 543 CB LEU A 37 -7.145 -0.910 -7.647 1.00 0.00 C ATOM 544 CG LEU A 37 -5.972 -0.650 -6.702 1.00 0.00 C ATOM 545 CD1 LEU A 37 -5.879 -1.747 -5.652 1.00 0.00 C ATOM 546 CD2 LEU A 37 -4.670 -0.546 -7.484 1.00 0.00 C ATOM 0 H LEU A 37 -9.292 -1.036 -8.848 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.071 1.017 -7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.894 -1.493 -7.112 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.791 -1.527 -8.472 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.144 0.298 -6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.038 -1.545 -4.988 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.801 -1.774 -5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.731 -2.709 -6.143 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.846 -0.361 -6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.492 -1.478 -8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.739 0.276 -8.197 1.00 0.00 H new ATOM 558 N ASN A 38 -6.726 0.474 -10.387 1.00 0.00 N ATOM 559 CA ASN A 38 -5.849 1.053 -11.399 1.00 0.00 C ATOM 560 C ASN A 38 -6.452 2.331 -11.975 1.00 0.00 C ATOM 561 O ASN A 38 -5.755 3.327 -12.165 1.00 0.00 O ATOM 562 CB ASN A 38 -5.597 0.045 -12.522 1.00 0.00 C ATOM 563 CG ASN A 38 -4.459 -0.905 -12.201 1.00 0.00 C ATOM 564 OD1 ASN A 38 -3.375 -0.808 -12.776 1.00 0.00 O ATOM 565 ND2 ASN A 38 -4.703 -1.830 -11.280 1.00 0.00 N ATOM 0 H ASN A 38 -7.199 -0.382 -10.677 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.901 1.302 -10.923 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.506 -0.529 -12.702 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.370 0.581 -13.444 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.976 -2.498 -11.023 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.617 -1.872 -10.830 1.00 0.00 H new ATOM 572 N SER A 39 -7.752 2.295 -12.248 1.00 0.00 N ATOM 573 CA SER A 39 -8.449 3.448 -12.805 1.00 0.00 C ATOM 574 C SER A 39 -8.239 4.682 -11.932 1.00 0.00 C ATOM 575 O SER A 39 -8.456 5.811 -12.372 1.00 0.00 O ATOM 576 CB SER A 39 -9.944 3.153 -12.938 1.00 0.00 C ATOM 577 OG SER A 39 -10.650 4.291 -13.401 1.00 0.00 O ATOM 0 H SER A 39 -8.344 1.479 -12.092 1.00 0.00 H new ATOM 0 HA SER A 39 -8.037 3.648 -13.794 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.094 2.323 -13.628 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.343 2.841 -11.973 1.00 0.00 H new ATOM 0 HG SER A 39 -11.603 4.076 -13.479 1.00 0.00 H new ATOM 583 N ALA A 40 -7.815 4.458 -10.693 1.00 0.00 N ATOM 584 CA ALA A 40 -7.573 5.550 -9.759 1.00 0.00 C ATOM 585 C ALA A 40 -6.141 6.063 -9.872 1.00 0.00 C ATOM 586 O ALA A 40 -5.896 7.267 -9.796 1.00 0.00 O ATOM 587 CB ALA A 40 -7.864 5.101 -8.335 1.00 0.00 C ATOM 0 H ALA A 40 -7.632 3.529 -10.313 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.245 6.369 -10.015 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.679 5.927 -7.648 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.906 4.791 -8.257 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.216 4.263 -8.078 1.00 0.00 H new ATOM 593 N ILE A 41 -5.201 5.142 -10.054 1.00 0.00 N ATOM 594 CA ILE A 41 -3.794 5.502 -10.178 1.00 0.00 C ATOM 595 C ILE A 41 -3.589 6.551 -11.266 1.00 0.00 C ATOM 596 O ILE A 41 -3.103 7.649 -10.998 1.00 0.00 O ATOM 597 CB ILE A 41 -2.924 4.271 -10.496 1.00 0.00 C ATOM 598 CG1 ILE A 41 -3.072 3.217 -9.397 1.00 0.00 C ATOM 599 CG2 ILE A 41 -1.467 4.679 -10.652 1.00 0.00 C ATOM 600 CD1 ILE A 41 -2.361 1.918 -9.706 1.00 0.00 C ATOM 0 H ILE A 41 -5.388 4.141 -10.119 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.488 5.915 -9.217 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.263 3.838 -11.437 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.683 3.621 -8.462 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.131 3.014 -9.240 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.865 3.799 -10.876 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.376 5.398 -11.466 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.115 5.133 -9.726 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.509 1.218 -8.884 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.766 1.491 -10.624 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.295 2.108 -9.834 1.00 0.00 H new ATOM 612 N GLU A 42 -3.964 6.203 -12.493 1.00 0.00 N ATOM 613 CA GLU A 42 -3.821 7.116 -13.621 1.00 0.00 C ATOM 614 C GLU A 42 -4.535 8.436 -13.347 1.00 0.00 C ATOM 615 O GLU A 42 -3.938 9.508 -13.442 1.00 0.00 O ATOM 616 CB GLU A 42 -4.378 6.478 -14.896 1.00 0.00 C ATOM 617 CG GLU A 42 -3.389 5.566 -15.603 1.00 0.00 C ATOM 618 CD GLU A 42 -2.423 6.329 -16.488 1.00 0.00 C ATOM 619 OE1 GLU A 42 -2.885 6.978 -17.450 1.00 0.00 O ATOM 620 OE2 GLU A 42 -1.204 6.277 -16.219 1.00 0.00 O ATOM 0 H GLU A 42 -4.368 5.297 -12.731 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.759 7.319 -13.758 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.272 5.906 -14.646 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.686 7.267 -15.582 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.826 5.001 -14.860 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.936 4.842 -16.207 1.00 0.00 H new ATOM 627 N ASN A 43 -5.817 8.349 -13.007 1.00 0.00 N ATOM 628 CA ASN A 43 -6.614 9.537 -12.719 1.00 0.00 C ATOM 629 C ASN A 43 -5.767 10.608 -12.038 1.00 0.00 C ATOM 630 O ASN A 43 -5.963 11.804 -12.259 1.00 0.00 O ATOM 631 CB ASN A 43 -7.807 9.174 -11.833 1.00 0.00 C ATOM 632 CG ASN A 43 -8.931 8.524 -12.615 1.00 0.00 C ATOM 633 OD1 ASN A 43 -8.893 8.463 -13.844 1.00 0.00 O ATOM 634 ND2 ASN A 43 -9.940 8.034 -11.904 1.00 0.00 N ATOM 0 H ASN A 43 -6.326 7.469 -12.924 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.981 9.936 -13.665 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.478 8.497 -11.045 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.181 10.074 -11.345 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.725 7.585 -12.375 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.930 8.107 -10.887 1.00 0.00 H new ATOM 641 N LEU A 44 -4.825 10.171 -11.210 1.00 0.00 N ATOM 642 CA LEU A 44 -3.947 11.092 -10.496 1.00 0.00 C ATOM 643 C LEU A 44 -2.692 11.389 -11.310 1.00 0.00 C ATOM 644 O LEU A 44 -2.271 12.540 -11.424 1.00 0.00 O ATOM 645 CB LEU A 44 -3.561 10.509 -9.136 1.00 0.00 C ATOM 646 CG LEU A 44 -4.720 10.110 -8.223 1.00 0.00 C ATOM 647 CD1 LEU A 44 -4.214 9.301 -7.039 1.00 0.00 C ATOM 648 CD2 LEU A 44 -5.472 11.343 -7.745 1.00 0.00 C ATOM 0 H LEU A 44 -4.649 9.185 -11.016 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.488 12.026 -10.343 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.938 9.631 -9.304 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.946 11.240 -8.611 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.408 9.488 -8.795 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.054 9.026 -6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.721 8.398 -7.399 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.504 9.898 -6.467 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.294 11.039 -7.096 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.793 11.991 -7.191 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.869 11.883 -8.605 1.00 0.00 H new ATOM 660 N MET A 45 -2.099 10.343 -11.876 1.00 0.00 N ATOM 661 CA MET A 45 -0.893 10.492 -12.683 1.00 0.00 C ATOM 662 C MET A 45 -1.109 11.509 -13.799 1.00 0.00 C ATOM 663 O MET A 45 -0.283 12.397 -14.012 1.00 0.00 O ATOM 664 CB MET A 45 -0.482 9.144 -13.277 1.00 0.00 C ATOM 665 CG MET A 45 -0.169 8.088 -12.230 1.00 0.00 C ATOM 666 SD MET A 45 1.065 6.898 -12.790 1.00 0.00 S ATOM 667 CE MET A 45 2.146 6.835 -11.363 1.00 0.00 C ATOM 0 H MET A 45 -2.434 9.383 -11.791 1.00 0.00 H new ATOM 0 HA MET A 45 -0.094 10.854 -12.036 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.284 8.780 -13.920 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.394 9.287 -13.910 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.188 8.576 -11.323 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.085 7.559 -11.968 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.144 6.527 -11.676 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.199 7.822 -10.903 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.754 6.118 -10.641 1.00 0.00 H new ATOM 677 N THR A 46 -2.224 11.373 -14.511 1.00 0.00 N ATOM 678 CA THR A 46 -2.547 12.278 -15.606 1.00 0.00 C ATOM 679 C THR A 46 -2.519 13.731 -15.145 1.00 0.00 C ATOM 680 O THR A 46 -2.101 14.620 -15.887 1.00 0.00 O ATOM 681 CB THR A 46 -3.932 11.967 -16.203 1.00 0.00 C ATOM 682 OG1 THR A 46 -4.255 12.923 -17.218 1.00 0.00 O ATOM 683 CG2 THR A 46 -5.003 11.986 -15.122 1.00 0.00 C ATOM 0 H THR A 46 -2.918 10.644 -14.348 1.00 0.00 H new ATOM 0 HA THR A 46 -1.788 12.128 -16.373 1.00 0.00 H new ATOM 0 HB THR A 46 -3.898 10.970 -16.642 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.137 12.717 -17.593 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.973 11.764 -15.567 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.770 11.236 -14.366 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.034 12.972 -14.658 1.00 0.00 H new ATOM 691 N SER A 47 -2.967 13.965 -13.916 1.00 0.00 N ATOM 692 CA SER A 47 -2.996 15.312 -13.357 1.00 0.00 C ATOM 693 C SER A 47 -1.622 15.710 -12.827 1.00 0.00 C ATOM 694 O SER A 47 -1.000 16.647 -13.326 1.00 0.00 O ATOM 695 CB SER A 47 -4.033 15.398 -12.235 1.00 0.00 C ATOM 696 OG SER A 47 -3.663 14.585 -11.135 1.00 0.00 O ATOM 0 H SER A 47 -3.315 13.240 -13.288 1.00 0.00 H new ATOM 0 HA SER A 47 -3.273 16.004 -14.153 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.135 16.433 -11.908 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.007 15.085 -12.611 1.00 0.00 H new ATOM 0 HG SER A 47 -3.565 13.657 -11.433 1.00 0.00 H new ATOM 702 N SER A 48 -1.156 14.991 -11.811 1.00 0.00 N ATOM 703 CA SER A 48 0.143 15.270 -11.209 1.00 0.00 C ATOM 704 C SER A 48 1.226 14.384 -11.817 1.00 0.00 C ATOM 705 O SER A 48 1.006 13.198 -12.064 1.00 0.00 O ATOM 706 CB SER A 48 0.084 15.057 -9.695 1.00 0.00 C ATOM 707 OG SER A 48 -0.720 13.937 -9.369 1.00 0.00 O ATOM 0 H SER A 48 -1.658 14.211 -11.387 1.00 0.00 H new ATOM 0 HA SER A 48 0.393 16.311 -11.413 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.092 14.911 -9.306 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.317 15.949 -9.214 1.00 0.00 H new ATOM 0 HG SER A 48 -0.713 13.800 -8.399 1.00 0.00 H new ATOM 713 N SER A 49 2.395 14.968 -12.056 1.00 0.00 N ATOM 714 CA SER A 49 3.512 14.234 -12.639 1.00 0.00 C ATOM 715 C SER A 49 4.424 13.678 -11.550 1.00 0.00 C ATOM 716 O SER A 49 4.210 13.918 -10.361 1.00 0.00 O ATOM 717 CB SER A 49 4.312 15.140 -13.577 1.00 0.00 C ATOM 718 OG SER A 49 3.677 15.256 -14.838 1.00 0.00 O ATOM 0 H SER A 49 2.594 15.948 -11.855 1.00 0.00 H new ATOM 0 HA SER A 49 3.107 13.399 -13.211 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.421 16.128 -13.129 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.316 14.737 -13.708 1.00 0.00 H new ATOM 0 HG SER A 49 4.207 15.841 -15.418 1.00 0.00 H new ATOM 724 N LYS A 50 5.444 12.934 -11.963 1.00 0.00 N ATOM 725 CA LYS A 50 6.392 12.344 -11.025 1.00 0.00 C ATOM 726 C LYS A 50 6.961 13.404 -10.088 1.00 0.00 C ATOM 727 O LYS A 50 7.028 13.201 -8.876 1.00 0.00 O ATOM 728 CB LYS A 50 7.529 11.654 -11.783 1.00 0.00 C ATOM 729 CG LYS A 50 8.619 11.108 -10.878 1.00 0.00 C ATOM 730 CD LYS A 50 9.290 9.888 -11.487 1.00 0.00 C ATOM 731 CE LYS A 50 9.912 9.003 -10.418 1.00 0.00 C ATOM 732 NZ LYS A 50 10.940 8.086 -10.986 1.00 0.00 N ATOM 0 H LYS A 50 5.636 12.725 -12.943 1.00 0.00 H new ATOM 0 HA LYS A 50 5.861 11.604 -10.427 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.117 10.837 -12.375 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.971 12.363 -12.483 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.365 11.882 -10.697 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.192 10.844 -9.910 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.558 9.314 -12.055 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.060 10.207 -12.190 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.367 9.627 -9.649 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.132 8.417 -9.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.340 7.500 -10.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.501 7.472 -11.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.698 8.645 -11.427 1.00 0.00 H new ATOM 746 N GLU A 51 7.368 14.534 -10.657 1.00 0.00 N ATOM 747 CA GLU A 51 7.930 15.625 -9.870 1.00 0.00 C ATOM 748 C GLU A 51 6.861 16.269 -8.991 1.00 0.00 C ATOM 749 O GLU A 51 7.130 16.661 -7.855 1.00 0.00 O ATOM 750 CB GLU A 51 8.552 16.678 -10.789 1.00 0.00 C ATOM 751 CG GLU A 51 9.739 16.165 -11.586 1.00 0.00 C ATOM 752 CD GLU A 51 11.057 16.359 -10.862 1.00 0.00 C ATOM 753 OE1 GLU A 51 11.396 15.511 -10.009 1.00 0.00 O ATOM 754 OE2 GLU A 51 11.749 17.358 -11.147 1.00 0.00 O ATOM 0 H GLU A 51 7.319 14.718 -11.659 1.00 0.00 H new ATOM 0 HA GLU A 51 8.706 15.212 -9.225 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.791 17.041 -11.480 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.869 17.530 -10.188 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.598 15.105 -11.798 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.777 16.680 -12.546 1.00 0.00 H new ATOM 761 N ASP A 52 5.650 16.376 -9.526 1.00 0.00 N ATOM 762 CA ASP A 52 4.540 16.972 -8.791 1.00 0.00 C ATOM 763 C ASP A 52 4.301 16.236 -7.476 1.00 0.00 C ATOM 764 O ASP A 52 3.823 16.821 -6.504 1.00 0.00 O ATOM 765 CB ASP A 52 3.268 16.950 -9.640 1.00 0.00 C ATOM 766 CG ASP A 52 2.152 17.777 -9.033 1.00 0.00 C ATOM 767 OD1 ASP A 52 1.765 17.495 -7.879 1.00 0.00 O ATOM 768 OD2 ASP A 52 1.666 18.706 -9.710 1.00 0.00 O ATOM 0 H ASP A 52 5.412 16.058 -10.465 1.00 0.00 H new ATOM 0 HA ASP A 52 4.800 18.006 -8.566 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.494 17.327 -10.638 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.931 15.920 -9.757 1.00 0.00 H new ATOM 773 N TRP A 53 4.636 14.951 -7.455 1.00 0.00 N ATOM 774 CA TRP A 53 4.456 14.135 -6.259 1.00 0.00 C ATOM 775 C TRP A 53 5.555 14.414 -5.240 1.00 0.00 C ATOM 776 O TRP A 53 6.727 14.104 -5.454 1.00 0.00 O ATOM 777 CB TRP A 53 4.449 12.650 -6.627 1.00 0.00 C ATOM 778 CG TRP A 53 3.731 12.359 -7.909 1.00 0.00 C ATOM 779 CD1 TRP A 53 2.705 13.077 -8.455 1.00 0.00 C ATOM 780 CD2 TRP A 53 3.983 11.271 -8.805 1.00 0.00 C ATOM 781 NE1 TRP A 53 2.304 12.500 -9.636 1.00 0.00 N ATOM 782 CE2 TRP A 53 3.073 11.392 -9.874 1.00 0.00 C ATOM 783 CE3 TRP A 53 4.890 10.208 -8.809 1.00 0.00 C ATOM 784 CZ2 TRP A 53 3.045 10.488 -10.933 1.00 0.00 C ATOM 785 CZ3 TRP A 53 4.860 9.312 -9.861 1.00 0.00 C ATOM 786 CH2 TRP A 53 3.944 9.457 -10.911 1.00 0.00 C ATOM 0 H TRP A 53 5.033 14.452 -8.251 1.00 0.00 H new ATOM 0 HA TRP A 53 3.497 14.396 -5.811 1.00 0.00 H new ATOM 0 HB2 TRP A 53 5.478 12.298 -6.707 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.981 12.085 -5.821 1.00 0.00 H new ATOM 0 HD1 TRP A 53 2.273 13.967 -8.022 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.555 12.842 -10.238 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.601 10.089 -8.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.339 10.597 -11.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.555 8.485 -9.874 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.948 8.741 -11.719 1.00 0.00 H new ATOM 797 N PRO A 54 5.171 15.013 -4.103 1.00 0.00 N ATOM 798 CA PRO A 54 6.110 15.345 -3.027 1.00 0.00 C ATOM 799 C PRO A 54 6.635 14.105 -2.312 1.00 0.00 C ATOM 800 O PRO A 54 5.895 13.149 -2.083 1.00 0.00 O ATOM 801 CB PRO A 54 5.268 16.197 -2.073 1.00 0.00 C ATOM 802 CG PRO A 54 3.864 15.767 -2.320 1.00 0.00 C ATOM 803 CD PRO A 54 3.791 15.410 -3.779 1.00 0.00 C ATOM 0 HA PRO A 54 6.998 15.853 -3.403 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.556 16.031 -1.035 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.397 17.261 -2.273 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.602 14.913 -1.696 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.163 16.566 -2.078 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.087 14.598 -3.959 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.464 16.256 -4.384 1.00 0.00 H new ATOM 811 N SER A 55 7.917 14.129 -1.961 1.00 0.00 N ATOM 812 CA SER A 55 8.542 13.005 -1.274 1.00 0.00 C ATOM 813 C SER A 55 8.006 12.870 0.148 1.00 0.00 C ATOM 814 O SER A 55 8.029 13.825 0.925 1.00 0.00 O ATOM 815 CB SER A 55 10.062 13.179 -1.244 1.00 0.00 C ATOM 816 OG SER A 55 10.570 13.447 -2.540 1.00 0.00 O ATOM 0 H SER A 55 8.543 14.914 -2.141 1.00 0.00 H new ATOM 0 HA SER A 55 8.298 12.095 -1.823 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.325 13.995 -0.571 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.527 12.276 -0.847 1.00 0.00 H new ATOM 0 HG SER A 55 11.543 13.556 -2.494 1.00 0.00 H new ATOM 822 N VAL A 56 7.524 11.678 0.482 1.00 0.00 N ATOM 823 CA VAL A 56 6.983 11.416 1.811 1.00 0.00 C ATOM 824 C VAL A 56 7.467 10.074 2.347 1.00 0.00 C ATOM 825 O VAL A 56 8.049 9.275 1.615 1.00 0.00 O ATOM 826 CB VAL A 56 5.443 11.427 1.801 1.00 0.00 C ATOM 827 CG1 VAL A 56 4.920 12.792 1.379 1.00 0.00 C ATOM 828 CG2 VAL A 56 4.908 10.336 0.886 1.00 0.00 C ATOM 0 H VAL A 56 7.497 10.877 -0.149 1.00 0.00 H new ATOM 0 HA VAL A 56 7.341 12.214 2.462 1.00 0.00 H new ATOM 0 HB VAL A 56 5.090 11.227 2.813 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.830 12.780 1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.274 13.549 2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.281 13.026 0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.818 10.359 0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.269 10.503 -0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.252 9.364 1.239 1.00 0.00 H new ATOM 838 N ASN A 57 7.223 9.834 3.631 1.00 0.00 N ATOM 839 CA ASN A 57 7.634 8.587 4.267 1.00 0.00 C ATOM 840 C ASN A 57 6.421 7.760 4.680 1.00 0.00 C ATOM 841 O ASN A 57 5.617 8.190 5.507 1.00 0.00 O ATOM 842 CB ASN A 57 8.507 8.878 5.490 1.00 0.00 C ATOM 843 CG ASN A 57 9.344 10.131 5.318 1.00 0.00 C ATOM 844 OD1 ASN A 57 9.842 10.414 4.228 1.00 0.00 O ATOM 845 ND2 ASN A 57 9.502 10.890 6.396 1.00 0.00 N ATOM 0 H ASN A 57 6.743 10.486 4.252 1.00 0.00 H new ATOM 0 HA ASN A 57 8.213 8.013 3.543 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.872 8.987 6.369 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.164 8.028 5.675 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.054 11.746 6.341 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.071 10.617 7.279 1.00 0.00 H new ATOM 852 N MET A 58 6.295 6.572 4.099 1.00 0.00 N ATOM 853 CA MET A 58 5.181 5.684 4.408 1.00 0.00 C ATOM 854 C MET A 58 5.492 4.826 5.631 1.00 0.00 C ATOM 855 O MET A 58 6.305 3.905 5.563 1.00 0.00 O ATOM 856 CB MET A 58 4.867 4.788 3.209 1.00 0.00 C ATOM 857 CG MET A 58 3.835 3.713 3.507 1.00 0.00 C ATOM 858 SD MET A 58 3.282 2.850 2.024 1.00 0.00 S ATOM 859 CE MET A 58 2.401 4.161 1.178 1.00 0.00 C ATOM 0 H MET A 58 6.951 6.202 3.411 1.00 0.00 H new ATOM 0 HA MET A 58 4.310 6.300 4.630 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.507 5.407 2.387 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.787 4.312 2.870 1.00 0.00 H new ATOM 0 HG2 MET A 58 4.259 2.992 4.205 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.975 4.167 4.000 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.653 3.727 0.514 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.909 4.800 1.911 1.00 0.00 H new ATOM 0 HE3 MET A 58 3.105 4.754 0.594 1.00 0.00 H new ATOM 869 N ASN A 59 4.840 5.136 6.747 1.00 0.00 N ATOM 870 CA ASN A 59 5.048 4.393 7.985 1.00 0.00 C ATOM 871 C ASN A 59 4.031 3.264 8.119 1.00 0.00 C ATOM 872 O ASN A 59 2.869 3.497 8.451 1.00 0.00 O ATOM 873 CB ASN A 59 4.948 5.331 9.189 1.00 0.00 C ATOM 874 CG ASN A 59 5.932 6.482 9.109 1.00 0.00 C ATOM 875 OD1 ASN A 59 5.632 7.459 8.261 1.00 0.00 O flip ATOM 876 ND2 ASN A 59 6.950 6.493 9.801 1.00 0.00 N flip ATOM 0 H ASN A 59 4.164 5.896 6.820 1.00 0.00 H new ATOM 0 HA ASN A 59 6.046 3.956 7.955 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.935 5.727 9.254 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.129 4.765 10.103 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.141 5.721 10.440 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.603 7.274 9.736 1.00 0.00 H new ATOM 883 N VAL A 60 4.478 2.039 7.861 1.00 0.00 N ATOM 884 CA VAL A 60 3.608 0.873 7.954 1.00 0.00 C ATOM 885 C VAL A 60 3.857 0.104 9.247 1.00 0.00 C ATOM 886 O VAL A 60 4.797 -0.685 9.341 1.00 0.00 O ATOM 887 CB VAL A 60 3.810 -0.076 6.758 1.00 0.00 C ATOM 888 CG1 VAL A 60 2.924 -1.305 6.896 1.00 0.00 C ATOM 889 CG2 VAL A 60 3.531 0.649 5.450 1.00 0.00 C ATOM 0 H VAL A 60 5.437 1.829 7.586 1.00 0.00 H new ATOM 0 HA VAL A 60 2.582 1.242 7.945 1.00 0.00 H new ATOM 0 HB VAL A 60 4.849 -0.406 6.749 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.080 -1.964 6.042 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.177 -1.835 7.814 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.879 -0.998 6.931 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.679 -0.036 4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.502 1.009 5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.212 1.494 5.350 1.00 0.00 H new ATOM 899 N ALA A 61 3.008 0.339 10.242 1.00 0.00 N ATOM 900 CA ALA A 61 3.134 -0.334 11.529 1.00 0.00 C ATOM 901 C ALA A 61 2.761 -1.808 11.417 1.00 0.00 C ATOM 902 O ALA A 61 2.459 -2.301 10.330 1.00 0.00 O ATOM 903 CB ALA A 61 2.266 0.355 12.572 1.00 0.00 C ATOM 0 H ALA A 61 2.225 0.990 10.182 1.00 0.00 H new ATOM 0 HA ALA A 61 4.176 -0.273 11.842 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.370 -0.158 13.528 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.582 1.392 12.681 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.223 0.325 12.255 1.00 0.00 H new ATOM 909 N ASP A 62 2.784 -2.506 12.547 1.00 0.00 N ATOM 910 CA ASP A 62 2.448 -3.925 12.576 1.00 0.00 C ATOM 911 C ASP A 62 1.089 -4.175 11.929 1.00 0.00 C ATOM 912 O ASP A 62 0.962 -5.005 11.029 1.00 0.00 O ATOM 913 CB ASP A 62 2.443 -4.441 14.015 1.00 0.00 C ATOM 914 CG ASP A 62 1.267 -3.916 14.815 1.00 0.00 C ATOM 915 OD1 ASP A 62 1.114 -2.680 14.902 1.00 0.00 O ATOM 916 OD2 ASP A 62 0.500 -4.741 15.354 1.00 0.00 O ATOM 0 H ASP A 62 3.032 -2.113 13.455 1.00 0.00 H new ATOM 0 HA ASP A 62 3.206 -4.464 12.008 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.416 -5.531 14.007 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.372 -4.149 14.506 1.00 0.00 H new ATOM 921 N ALA A 63 0.076 -3.451 12.394 1.00 0.00 N ATOM 922 CA ALA A 63 -1.273 -3.593 11.860 1.00 0.00 C ATOM 923 C ALA A 63 -1.874 -2.234 11.518 1.00 0.00 C ATOM 924 O ALA A 63 -3.058 -1.989 11.755 1.00 0.00 O ATOM 925 CB ALA A 63 -2.159 -4.330 12.854 1.00 0.00 C ATOM 0 H ALA A 63 0.164 -2.760 13.139 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.214 -4.176 10.941 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.163 -4.429 12.442 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.746 -5.320 13.045 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.203 -3.769 13.788 1.00 0.00 H new ATOM 931 N THR A 64 -1.051 -1.351 10.961 1.00 0.00 N ATOM 932 CA THR A 64 -1.501 -0.016 10.589 1.00 0.00 C ATOM 933 C THR A 64 -0.567 0.612 9.560 1.00 0.00 C ATOM 934 O THR A 64 0.637 0.357 9.563 1.00 0.00 O ATOM 935 CB THR A 64 -1.591 0.909 11.817 1.00 0.00 C ATOM 936 OG1 THR A 64 -2.201 0.215 12.910 1.00 0.00 O ATOM 937 CG2 THR A 64 -2.394 2.161 11.494 1.00 0.00 C ATOM 0 H THR A 64 -0.069 -1.537 10.758 1.00 0.00 H new ATOM 0 HA THR A 64 -2.494 -0.127 10.154 1.00 0.00 H new ATOM 0 HB THR A 64 -0.580 1.206 12.095 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.873 -0.410 12.566 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.444 2.799 12.376 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.911 2.703 10.681 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.403 1.879 11.193 1.00 0.00 H new ATOM 945 N VAL A 65 -1.130 1.436 8.682 1.00 0.00 N ATOM 946 CA VAL A 65 -0.347 2.103 7.649 1.00 0.00 C ATOM 947 C VAL A 65 -0.586 3.608 7.663 1.00 0.00 C ATOM 948 O VAL A 65 -1.591 4.094 7.142 1.00 0.00 O ATOM 949 CB VAL A 65 -0.681 1.554 6.249 1.00 0.00 C ATOM 950 CG1 VAL A 65 0.057 2.341 5.177 1.00 0.00 C ATOM 951 CG2 VAL A 65 -0.344 0.073 6.163 1.00 0.00 C ATOM 0 H VAL A 65 -2.126 1.658 8.666 1.00 0.00 H new ATOM 0 HA VAL A 65 0.702 1.903 7.869 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.751 1.670 6.078 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.191 1.939 4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.240 3.389 5.226 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.132 2.260 5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.586 -0.298 5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.719 -0.070 6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.923 -0.476 6.906 1.00 0.00 H new ATOM 961 N THR A 66 0.344 4.345 8.263 1.00 0.00 N ATOM 962 CA THR A 66 0.234 5.796 8.346 1.00 0.00 C ATOM 963 C THR A 66 1.222 6.476 7.406 1.00 0.00 C ATOM 964 O THR A 66 2.323 5.976 7.177 1.00 0.00 O ATOM 965 CB THR A 66 0.482 6.296 9.782 1.00 0.00 C ATOM 966 OG1 THR A 66 -0.302 5.536 10.708 1.00 0.00 O ATOM 967 CG2 THR A 66 0.134 7.772 9.908 1.00 0.00 C ATOM 0 H THR A 66 1.182 3.960 8.699 1.00 0.00 H new ATOM 0 HA THR A 66 -0.783 6.054 8.049 1.00 0.00 H new ATOM 0 HB THR A 66 1.540 6.167 10.011 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.137 5.859 11.618 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.317 8.103 10.930 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.753 8.351 9.223 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.917 7.920 9.661 1.00 0.00 H new ATOM 975 N VAL A 67 0.821 7.621 6.862 1.00 0.00 N ATOM 976 CA VAL A 67 1.672 8.372 5.947 1.00 0.00 C ATOM 977 C VAL A 67 2.135 9.681 6.576 1.00 0.00 C ATOM 978 O VAL A 67 1.330 10.578 6.831 1.00 0.00 O ATOM 979 CB VAL A 67 0.941 8.680 4.626 1.00 0.00 C ATOM 980 CG1 VAL A 67 1.802 9.559 3.732 1.00 0.00 C ATOM 981 CG2 VAL A 67 0.561 7.391 3.914 1.00 0.00 C ATOM 0 H VAL A 67 -0.088 8.048 7.039 1.00 0.00 H new ATOM 0 HA VAL A 67 2.540 7.747 5.737 1.00 0.00 H new ATOM 0 HB VAL A 67 0.025 9.224 4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.269 9.766 2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.018 10.497 4.243 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.736 9.045 3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.046 7.628 2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.462 6.817 3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.097 6.803 4.553 1.00 0.00 H new ATOM 991 N ILE A 68 3.436 9.784 6.823 1.00 0.00 N ATOM 992 CA ILE A 68 4.007 10.985 7.421 1.00 0.00 C ATOM 993 C ILE A 68 4.797 11.789 6.394 1.00 0.00 C ATOM 994 O ILE A 68 5.464 11.223 5.528 1.00 0.00 O ATOM 995 CB ILE A 68 4.929 10.640 8.605 1.00 0.00 C ATOM 996 CG1 ILE A 68 4.164 9.836 9.659 1.00 0.00 C ATOM 997 CG2 ILE A 68 5.506 11.909 9.215 1.00 0.00 C ATOM 998 CD1 ILE A 68 5.037 9.332 10.787 1.00 0.00 C ATOM 0 H ILE A 68 4.115 9.051 6.619 1.00 0.00 H new ATOM 0 HA ILE A 68 3.172 11.584 7.783 1.00 0.00 H new ATOM 0 HB ILE A 68 5.754 10.029 8.237 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.372 10.459 10.074 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.682 8.986 9.176 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.155 11.648 10.051 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.082 12.446 8.461 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.694 12.543 9.571 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.428 8.771 11.496 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.814 8.683 10.383 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.499 10.178 11.295 1.00 0.00 H new ATOM 1010 N SER A 69 4.717 13.111 6.497 1.00 0.00 N ATOM 1011 CA SER A 69 5.423 13.994 5.576 1.00 0.00 C ATOM 1012 C SER A 69 6.857 14.230 6.041 1.00 0.00 C ATOM 1013 O SER A 69 7.103 14.500 7.216 1.00 0.00 O ATOM 1014 CB SER A 69 4.688 15.330 5.452 1.00 0.00 C ATOM 1015 OG SER A 69 4.913 15.921 4.184 1.00 0.00 O ATOM 0 H SER A 69 4.170 13.595 7.209 1.00 0.00 H new ATOM 0 HA SER A 69 5.451 13.511 4.599 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.619 15.176 5.600 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.024 16.007 6.237 1.00 0.00 H new ATOM 0 HG SER A 69 4.081 16.323 3.858 1.00 0.00 H new ATOM 1021 N GLU A 70 7.799 14.127 5.109 1.00 0.00 N ATOM 1022 CA GLU A 70 9.209 14.329 5.423 1.00 0.00 C ATOM 1023 C GLU A 70 9.425 15.670 6.117 1.00 0.00 C ATOM 1024 O GLU A 70 10.301 15.806 6.972 1.00 0.00 O ATOM 1025 CB GLU A 70 10.053 14.259 4.149 1.00 0.00 C ATOM 1026 CG GLU A 70 11.543 14.123 4.413 1.00 0.00 C ATOM 1027 CD GLU A 70 12.149 15.383 5.002 1.00 0.00 C ATOM 1028 OE1 GLU A 70 11.805 16.485 4.525 1.00 0.00 O ATOM 1029 OE2 GLU A 70 12.965 15.267 5.939 1.00 0.00 O ATOM 0 H GLU A 70 7.612 13.905 4.131 1.00 0.00 H new ATOM 0 HA GLU A 70 9.521 13.535 6.101 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.720 13.412 3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.878 15.158 3.557 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.713 13.290 5.095 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.053 13.881 3.480 1.00 0.00 H new ATOM 1036 N LYS A 71 8.621 16.659 5.743 1.00 0.00 N ATOM 1037 CA LYS A 71 8.722 17.991 6.329 1.00 0.00 C ATOM 1038 C LYS A 71 8.633 17.925 7.850 1.00 0.00 C ATOM 1039 O LYS A 71 9.392 18.588 8.555 1.00 0.00 O ATOM 1040 CB LYS A 71 7.616 18.896 5.782 1.00 0.00 C ATOM 1041 CG LYS A 71 6.217 18.344 5.995 1.00 0.00 C ATOM 1042 CD LYS A 71 5.153 19.373 5.652 1.00 0.00 C ATOM 1043 CE LYS A 71 4.893 19.429 4.155 1.00 0.00 C ATOM 1044 NZ LYS A 71 5.925 20.232 3.442 1.00 0.00 N ATOM 0 H LYS A 71 7.892 16.564 5.036 1.00 0.00 H new ATOM 0 HA LYS A 71 9.692 18.407 6.057 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.688 19.873 6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.778 19.050 4.715 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.078 17.456 5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.102 18.033 7.033 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.228 19.129 6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.468 20.355 6.004 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.878 18.417 3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.908 19.860 3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.468 20.818 2.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.418 20.846 4.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.611 19.594 2.991 1.00 0.00 H new ATOM 1058 N ASN A 72 7.701 17.118 8.349 1.00 0.00 N ATOM 1059 CA ASN A 72 7.515 16.965 9.788 1.00 0.00 C ATOM 1060 C ASN A 72 6.910 15.603 10.115 1.00 0.00 C ATOM 1061 O ASN A 72 6.132 15.055 9.336 1.00 0.00 O ATOM 1062 CB ASN A 72 6.614 18.078 10.328 1.00 0.00 C ATOM 1063 CG ASN A 72 6.861 19.406 9.639 1.00 0.00 C ATOM 1064 OD1 ASN A 72 7.914 20.021 9.811 1.00 0.00 O ATOM 1065 ND2 ASN A 72 5.888 19.855 8.855 1.00 0.00 N ATOM 0 H ASN A 72 7.064 16.561 7.779 1.00 0.00 H new ATOM 0 HA ASN A 72 8.492 17.034 10.266 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.570 17.792 10.197 1.00 0.00 H new ATOM 0 HB3 ASN A 72 6.782 18.190 11.399 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.996 20.743 8.366 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.032 19.312 8.742 1.00 0.00 H new ATOM 1072 N GLU A 73 7.275 15.063 11.274 1.00 0.00 N ATOM 1073 CA GLU A 73 6.769 13.765 11.704 1.00 0.00 C ATOM 1074 C GLU A 73 5.316 13.871 12.159 1.00 0.00 C ATOM 1075 O GLU A 73 4.553 12.911 12.060 1.00 0.00 O ATOM 1076 CB GLU A 73 7.631 13.207 12.839 1.00 0.00 C ATOM 1077 CG GLU A 73 7.057 11.954 13.480 1.00 0.00 C ATOM 1078 CD GLU A 73 8.086 11.189 14.288 1.00 0.00 C ATOM 1079 OE1 GLU A 73 9.274 11.204 13.904 1.00 0.00 O ATOM 1080 OE2 GLU A 73 7.703 10.575 15.306 1.00 0.00 O ATOM 0 H GLU A 73 7.919 15.504 11.931 1.00 0.00 H new ATOM 0 HA GLU A 73 6.817 13.085 10.853 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.626 12.984 12.453 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.751 13.974 13.604 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.224 12.230 14.127 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.655 11.304 12.703 1.00 0.00 H new ATOM 1087 N GLU A 74 4.943 15.045 12.658 1.00 0.00 N ATOM 1088 CA GLU A 74 3.582 15.276 13.130 1.00 0.00 C ATOM 1089 C GLU A 74 2.659 15.638 11.970 1.00 0.00 C ATOM 1090 O GLU A 74 1.480 15.929 12.170 1.00 0.00 O ATOM 1091 CB GLU A 74 3.564 16.391 14.178 1.00 0.00 C ATOM 1092 CG GLU A 74 4.155 17.701 13.683 1.00 0.00 C ATOM 1093 CD GLU A 74 3.564 18.909 14.384 1.00 0.00 C ATOM 1094 OE1 GLU A 74 2.330 19.089 14.318 1.00 0.00 O ATOM 1095 OE2 GLU A 74 4.337 19.673 14.999 1.00 0.00 O ATOM 0 H GLU A 74 5.563 15.850 12.746 1.00 0.00 H new ATOM 0 HA GLU A 74 3.221 14.354 13.585 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.536 16.563 14.496 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.118 16.061 15.057 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.234 17.689 13.835 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.986 17.789 12.610 1.00 0.00 H new ATOM 1102 N GLU A 75 3.204 15.617 10.758 1.00 0.00 N ATOM 1103 CA GLU A 75 2.430 15.944 9.567 1.00 0.00 C ATOM 1104 C GLU A 75 1.931 14.677 8.877 1.00 0.00 C ATOM 1105 O GLU A 75 2.544 14.192 7.927 1.00 0.00 O ATOM 1106 CB GLU A 75 3.274 16.769 8.593 1.00 0.00 C ATOM 1107 CG GLU A 75 2.588 17.028 7.262 1.00 0.00 C ATOM 1108 CD GLU A 75 1.486 18.065 7.366 1.00 0.00 C ATOM 1109 OE1 GLU A 75 1.782 19.266 7.198 1.00 0.00 O ATOM 1110 OE2 GLU A 75 0.326 17.673 7.615 1.00 0.00 O ATOM 0 H GLU A 75 4.178 15.377 10.575 1.00 0.00 H new ATOM 0 HA GLU A 75 1.567 16.533 9.877 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.520 17.724 9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.216 16.251 8.412 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.328 17.362 6.535 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.169 16.095 6.886 1.00 0.00 H new ATOM 1117 N VAL A 76 0.814 14.146 9.364 1.00 0.00 N ATOM 1118 CA VAL A 76 0.231 12.936 8.796 1.00 0.00 C ATOM 1119 C VAL A 76 -0.683 13.266 7.621 1.00 0.00 C ATOM 1120 O VAL A 76 -1.757 13.843 7.799 1.00 0.00 O ATOM 1121 CB VAL A 76 -0.569 12.150 9.850 1.00 0.00 C ATOM 1122 CG1 VAL A 76 -1.725 12.987 10.378 1.00 0.00 C ATOM 1123 CG2 VAL A 76 -1.073 10.838 9.267 1.00 0.00 C ATOM 0 H VAL A 76 0.294 14.535 10.151 1.00 0.00 H new ATOM 0 HA VAL A 76 1.059 12.320 8.446 1.00 0.00 H new ATOM 0 HB VAL A 76 0.093 11.920 10.685 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.279 12.414 11.122 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.336 13.897 10.836 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.389 13.250 9.555 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.636 10.295 10.026 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.719 11.043 8.413 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.225 10.234 8.943 1.00 0.00 H new ATOM 1133 N LEU A 77 -0.252 12.897 6.421 1.00 0.00 N ATOM 1134 CA LEU A 77 -1.032 13.153 5.215 1.00 0.00 C ATOM 1135 C LEU A 77 -2.234 12.218 5.135 1.00 0.00 C ATOM 1136 O LEU A 77 -3.355 12.652 4.872 1.00 0.00 O ATOM 1137 CB LEU A 77 -0.157 12.984 3.972 1.00 0.00 C ATOM 1138 CG LEU A 77 1.135 13.803 3.943 1.00 0.00 C ATOM 1139 CD1 LEU A 77 2.143 13.177 2.993 1.00 0.00 C ATOM 1140 CD2 LEU A 77 0.845 15.242 3.544 1.00 0.00 C ATOM 0 H LEU A 77 0.634 12.419 6.256 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.396 14.180 5.259 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.103 11.930 3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.750 13.247 3.096 1.00 0.00 H new ATOM 0 HG LEU A 77 1.564 13.804 4.945 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.055 13.773 2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.374 12.164 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.723 13.144 1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.775 15.810 3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.392 15.260 2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.159 15.688 4.264 1.00 0.00 H new ATOM 1152 N VAL A 78 -1.993 10.931 5.368 1.00 0.00 N ATOM 1153 CA VAL A 78 -3.056 9.934 5.326 1.00 0.00 C ATOM 1154 C VAL A 78 -2.860 8.876 6.405 1.00 0.00 C ATOM 1155 O VAL A 78 -1.739 8.436 6.659 1.00 0.00 O ATOM 1156 CB VAL A 78 -3.123 9.243 3.951 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -4.203 8.172 3.944 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -3.370 10.266 2.852 1.00 0.00 C ATOM 0 H VAL A 78 -1.071 10.555 5.588 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.993 10.462 5.505 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.164 8.761 3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.236 7.695 2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.979 7.424 4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.169 8.628 4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.414 9.760 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.314 10.778 3.037 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.558 10.994 2.843 1.00 0.00 H new ATOM 1168 N GLU A 79 -3.957 8.472 7.037 1.00 0.00 N ATOM 1169 CA GLU A 79 -3.905 7.465 8.090 1.00 0.00 C ATOM 1170 C GLU A 79 -4.784 6.267 7.741 1.00 0.00 C ATOM 1171 O GLU A 79 -6.002 6.305 7.918 1.00 0.00 O ATOM 1172 CB GLU A 79 -4.350 8.066 9.424 1.00 0.00 C ATOM 1173 CG GLU A 79 -3.881 7.276 10.635 1.00 0.00 C ATOM 1174 CD GLU A 79 -4.461 7.801 11.934 1.00 0.00 C ATOM 1175 OE1 GLU A 79 -5.687 7.674 12.132 1.00 0.00 O ATOM 1176 OE2 GLU A 79 -3.687 8.340 12.753 1.00 0.00 O ATOM 0 H GLU A 79 -4.893 8.827 6.838 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.874 7.124 8.180 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.972 9.086 9.497 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.438 8.127 9.440 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.162 6.230 10.513 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.793 7.310 10.687 1.00 0.00 H new ATOM 1183 N CYS A 80 -4.158 5.206 7.244 1.00 0.00 N ATOM 1184 CA CYS A 80 -4.882 3.997 6.869 1.00 0.00 C ATOM 1185 C CYS A 80 -4.573 2.856 7.833 1.00 0.00 C ATOM 1186 O CYS A 80 -3.468 2.765 8.368 1.00 0.00 O ATOM 1187 CB CYS A 80 -4.523 3.585 5.441 1.00 0.00 C ATOM 1188 SG CYS A 80 -5.503 2.206 4.801 1.00 0.00 S ATOM 0 H CYS A 80 -3.151 5.159 7.091 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.949 4.212 6.920 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -4.652 4.444 4.783 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -3.468 3.313 5.407 1.00 0.00 H new ATOM 0 HG CYS A 80 -5.313 2.096 3.520 1.00 0.00 H new ATOM 1194 N ARG A 81 -5.557 1.990 8.052 1.00 0.00 N ATOM 1195 CA ARG A 81 -5.391 0.858 8.955 1.00 0.00 C ATOM 1196 C ARG A 81 -5.774 -0.448 8.264 1.00 0.00 C ATOM 1197 O ARG A 81 -6.787 -0.521 7.569 1.00 0.00 O ATOM 1198 CB ARG A 81 -6.241 1.051 10.212 1.00 0.00 C ATOM 1199 CG ARG A 81 -5.666 0.375 11.446 1.00 0.00 C ATOM 1200 CD ARG A 81 -6.639 0.427 12.614 1.00 0.00 C ATOM 1201 NE ARG A 81 -6.091 -0.204 13.811 1.00 0.00 N ATOM 1202 CZ ARG A 81 -6.507 0.069 15.042 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -7.472 0.958 15.237 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -5.959 -0.547 16.082 1.00 0.00 N ATOM 0 H ARG A 81 -6.477 2.051 7.616 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.341 0.804 9.241 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.347 2.118 10.409 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.242 0.660 10.027 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.428 -0.663 11.216 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.732 0.862 11.727 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.887 1.466 12.833 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.568 -0.071 12.335 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.347 -0.893 13.695 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.896 1.433 14.440 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.790 1.166 16.184 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.217 -1.231 15.936 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.280 -0.336 17.027 1.00 0.00 H new ATOM 1218 N VAL A 82 -4.957 -1.478 8.462 1.00 0.00 N ATOM 1219 CA VAL A 82 -5.210 -2.781 7.859 1.00 0.00 C ATOM 1220 C VAL A 82 -6.700 -3.102 7.850 1.00 0.00 C ATOM 1221 O VAL A 82 -7.265 -3.448 6.812 1.00 0.00 O ATOM 1222 CB VAL A 82 -4.459 -3.900 8.605 1.00 0.00 C ATOM 1223 CG1 VAL A 82 -4.858 -5.264 8.063 1.00 0.00 C ATOM 1224 CG2 VAL A 82 -2.956 -3.694 8.500 1.00 0.00 C ATOM 0 H VAL A 82 -4.114 -1.435 9.035 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.846 -2.731 6.833 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.735 -3.860 9.659 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.317 -6.042 8.602 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.930 -5.409 8.196 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.613 -5.320 7.002 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.441 -4.494 9.033 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.659 -3.707 7.451 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.689 -2.734 8.941 1.00 0.00 H new ATOM 1234 N ARG A 83 -7.332 -2.986 9.013 1.00 0.00 N ATOM 1235 CA ARG A 83 -8.758 -3.264 9.140 1.00 0.00 C ATOM 1236 C ARG A 83 -9.564 -2.434 8.146 1.00 0.00 C ATOM 1237 O ARG A 83 -10.521 -2.922 7.545 1.00 0.00 O ATOM 1238 CB ARG A 83 -9.231 -2.975 10.566 1.00 0.00 C ATOM 1239 CG ARG A 83 -8.598 -3.877 11.612 1.00 0.00 C ATOM 1240 CD ARG A 83 -8.773 -3.313 13.014 1.00 0.00 C ATOM 1241 NE ARG A 83 -10.037 -3.727 13.616 1.00 0.00 N ATOM 1242 CZ ARG A 83 -11.188 -3.093 13.418 1.00 0.00 C ATOM 1243 NH1 ARG A 83 -11.233 -2.022 12.638 1.00 0.00 N ATOM 1244 NH2 ARG A 83 -12.297 -3.530 14.002 1.00 0.00 N ATOM 0 H ARG A 83 -6.879 -2.701 9.881 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.918 -4.319 8.919 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.007 -1.937 10.811 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.314 -3.086 10.610 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.047 -4.869 11.559 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.536 -3.996 11.397 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.946 -3.643 13.643 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.729 -2.225 12.975 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.037 -4.548 14.222 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.383 -1.683 12.188 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.118 -1.537 12.488 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.266 -4.353 14.603 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.180 -3.043 13.849 1.00 0.00 H new ATOM 1258 N PHE A 84 -9.172 -1.175 7.979 1.00 0.00 N ATOM 1259 CA PHE A 84 -9.859 -0.276 7.060 1.00 0.00 C ATOM 1260 C PHE A 84 -9.558 -0.645 5.610 1.00 0.00 C ATOM 1261 O PHE A 84 -10.334 -0.338 4.705 1.00 0.00 O ATOM 1262 CB PHE A 84 -9.444 1.173 7.325 1.00 0.00 C ATOM 1263 CG PHE A 84 -10.143 1.790 8.503 1.00 0.00 C ATOM 1264 CD1 PHE A 84 -11.519 1.696 8.637 1.00 0.00 C ATOM 1265 CD2 PHE A 84 -9.423 2.465 9.476 1.00 0.00 C ATOM 1266 CE1 PHE A 84 -12.163 2.263 9.719 1.00 0.00 C ATOM 1267 CE2 PHE A 84 -10.063 3.034 10.561 1.00 0.00 C ATOM 1268 CZ PHE A 84 -11.435 2.932 10.683 1.00 0.00 C ATOM 0 H PHE A 84 -8.382 -0.755 8.468 1.00 0.00 H new ATOM 0 HA PHE A 84 -10.931 -0.377 7.227 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -8.367 1.210 7.491 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -9.650 1.770 6.437 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -12.094 1.174 7.887 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.350 2.547 9.385 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -13.236 2.183 9.811 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -9.491 3.558 11.313 1.00 0.00 H new ATOM 0 HZ PHE A 84 -11.937 3.375 11.530 1.00 0.00 H new ATOM 1278 N LEU A 85 -8.425 -1.307 5.398 1.00 0.00 N ATOM 1279 CA LEU A 85 -8.020 -1.719 4.058 1.00 0.00 C ATOM 1280 C LEU A 85 -8.927 -2.826 3.531 1.00 0.00 C ATOM 1281 O LEU A 85 -8.852 -3.970 3.979 1.00 0.00 O ATOM 1282 CB LEU A 85 -6.566 -2.196 4.069 1.00 0.00 C ATOM 1283 CG LEU A 85 -5.778 -1.973 2.778 1.00 0.00 C ATOM 1284 CD1 LEU A 85 -4.290 -2.180 3.019 1.00 0.00 C ATOM 1285 CD2 LEU A 85 -6.277 -2.901 1.680 1.00 0.00 C ATOM 0 H LEU A 85 -7.771 -1.570 6.136 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.109 -0.857 3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.045 -1.690 4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.556 -3.262 4.298 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.933 -0.944 2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.745 -2.017 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.942 -1.474 3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.116 -3.198 3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.704 -2.728 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.153 -3.937 1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.332 -2.704 1.488 1.00 0.00 H new ATOM 1297 N SER A 86 -9.782 -2.478 2.575 1.00 0.00 N ATOM 1298 CA SER A 86 -10.705 -3.441 1.987 1.00 0.00 C ATOM 1299 C SER A 86 -9.986 -4.344 0.989 1.00 0.00 C ATOM 1300 O SER A 86 -10.116 -5.567 1.035 1.00 0.00 O ATOM 1301 CB SER A 86 -11.861 -2.716 1.295 1.00 0.00 C ATOM 1302 OG SER A 86 -11.383 -1.832 0.296 1.00 0.00 O ATOM 0 H SER A 86 -9.855 -1.536 2.191 1.00 0.00 H new ATOM 0 HA SER A 86 -11.103 -4.061 2.790 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.536 -3.445 0.847 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.438 -2.158 2.032 1.00 0.00 H new ATOM 0 HG SER A 86 -10.518 -1.464 0.572 1.00 0.00 H new ATOM 1308 N PHE A 87 -9.226 -3.731 0.088 1.00 0.00 N ATOM 1309 CA PHE A 87 -8.486 -4.477 -0.923 1.00 0.00 C ATOM 1310 C PHE A 87 -7.319 -3.654 -1.461 1.00 0.00 C ATOM 1311 O PHE A 87 -7.473 -2.476 -1.780 1.00 0.00 O ATOM 1312 CB PHE A 87 -9.413 -4.880 -2.071 1.00 0.00 C ATOM 1313 CG PHE A 87 -8.692 -5.487 -3.240 1.00 0.00 C ATOM 1314 CD1 PHE A 87 -8.254 -6.801 -3.194 1.00 0.00 C ATOM 1315 CD2 PHE A 87 -8.450 -4.744 -4.384 1.00 0.00 C ATOM 1316 CE1 PHE A 87 -7.590 -7.363 -4.268 1.00 0.00 C ATOM 1317 CE2 PHE A 87 -7.787 -5.300 -5.461 1.00 0.00 C ATOM 1318 CZ PHE A 87 -7.355 -6.611 -5.403 1.00 0.00 C ATOM 0 H PHE A 87 -9.106 -2.719 0.037 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.087 -5.377 -0.455 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.150 -5.592 -1.699 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.962 -4.001 -2.410 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.434 -7.393 -2.309 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -8.784 -3.718 -4.434 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -7.255 -8.389 -4.220 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.607 -4.710 -6.348 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.835 -7.047 -6.243 1.00 0.00 H new ATOM 1328 N MET A 88 -6.153 -4.284 -1.558 1.00 0.00 N ATOM 1329 CA MET A 88 -4.961 -3.611 -2.059 1.00 0.00 C ATOM 1330 C MET A 88 -4.540 -4.182 -3.409 1.00 0.00 C ATOM 1331 O MET A 88 -5.066 -5.201 -3.854 1.00 0.00 O ATOM 1332 CB MET A 88 -3.814 -3.746 -1.055 1.00 0.00 C ATOM 1333 CG MET A 88 -3.468 -5.187 -0.718 1.00 0.00 C ATOM 1334 SD MET A 88 -4.485 -5.852 0.614 1.00 0.00 S ATOM 1335 CE MET A 88 -3.511 -5.393 2.045 1.00 0.00 C ATOM 0 H MET A 88 -6.008 -5.259 -1.296 1.00 0.00 H new ATOM 0 HA MET A 88 -5.198 -2.555 -2.190 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.929 -3.253 -1.458 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.081 -3.221 -0.138 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.593 -5.804 -1.608 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.418 -5.247 -0.433 1.00 0.00 H new ATOM 0 HE1 MET A 88 -4.153 -5.353 2.925 1.00 0.00 H new ATOM 0 HE2 MET A 88 -2.725 -6.132 2.203 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.061 -4.414 1.880 1.00 0.00 H new ATOM 1345 N GLY A 89 -3.588 -3.517 -4.058 1.00 0.00 N ATOM 1346 CA GLY A 89 -3.114 -3.973 -5.351 1.00 0.00 C ATOM 1347 C GLY A 89 -2.074 -3.046 -5.947 1.00 0.00 C ATOM 1348 O GLY A 89 -1.775 -1.993 -5.385 1.00 0.00 O ATOM 0 H GLY A 89 -3.137 -2.671 -3.711 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.689 -4.972 -5.247 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.958 -4.055 -6.036 1.00 0.00 H new ATOM 1352 N VAL A 90 -1.519 -3.438 -7.090 1.00 0.00 N ATOM 1353 CA VAL A 90 -0.505 -2.635 -7.763 1.00 0.00 C ATOM 1354 C VAL A 90 -0.889 -2.369 -9.214 1.00 0.00 C ATOM 1355 O VAL A 90 -1.596 -3.161 -9.835 1.00 0.00 O ATOM 1356 CB VAL A 90 0.872 -3.324 -7.726 1.00 0.00 C ATOM 1357 CG1 VAL A 90 1.853 -2.605 -8.640 1.00 0.00 C ATOM 1358 CG2 VAL A 90 1.402 -3.379 -6.301 1.00 0.00 C ATOM 0 H VAL A 90 -1.755 -4.307 -7.569 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.444 -1.688 -7.227 1.00 0.00 H new ATOM 0 HB VAL A 90 0.757 -4.346 -8.087 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.820 -3.106 -8.601 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.477 -2.622 -9.663 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.966 -1.572 -8.312 1.00 0.00 H new ATOM 0 HG21 VAL A 90 2.376 -3.869 -6.294 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.502 -2.366 -5.911 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.708 -3.941 -5.676 1.00 0.00 H new ATOM 1368 N GLY A 91 -0.417 -1.247 -9.749 1.00 0.00 N ATOM 1369 CA GLY A 91 -0.721 -0.895 -11.124 1.00 0.00 C ATOM 1370 C GLY A 91 0.162 -1.623 -12.118 1.00 0.00 C ATOM 1371 O GLY A 91 0.928 -2.512 -11.744 1.00 0.00 O ATOM 0 H GLY A 91 0.171 -0.575 -9.255 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.765 -1.127 -11.333 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.601 0.180 -11.256 1.00 0.00 H new ATOM 1375 N LYS A 92 0.056 -1.248 -13.388 1.00 0.00 N ATOM 1376 CA LYS A 92 0.851 -1.871 -14.439 1.00 0.00 C ATOM 1377 C LYS A 92 2.328 -1.901 -14.059 1.00 0.00 C ATOM 1378 O LYS A 92 3.005 -2.913 -14.241 1.00 0.00 O ATOM 1379 CB LYS A 92 0.668 -1.118 -15.759 1.00 0.00 C ATOM 1380 CG LYS A 92 1.191 -1.873 -16.968 1.00 0.00 C ATOM 1381 CD LYS A 92 0.271 -3.021 -17.349 1.00 0.00 C ATOM 1382 CE LYS A 92 0.831 -3.820 -18.517 1.00 0.00 C ATOM 1383 NZ LYS A 92 1.758 -4.893 -18.062 1.00 0.00 N ATOM 0 H LYS A 92 -0.573 -0.515 -13.715 1.00 0.00 H new ATOM 0 HA LYS A 92 0.505 -2.897 -14.562 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.392 -0.907 -15.903 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.178 -0.157 -15.693 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.289 -1.189 -17.811 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.187 -2.260 -16.754 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.133 -3.678 -16.490 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.711 -2.629 -17.612 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.010 -4.264 -19.080 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.357 -3.150 -19.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.118 -5.414 -18.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.555 -4.468 -17.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.250 -5.548 -17.434 1.00 0.00 H new ATOM 1397 N ASP A 93 2.820 -0.786 -13.531 1.00 0.00 N ATOM 1398 CA ASP A 93 4.217 -0.685 -13.123 1.00 0.00 C ATOM 1399 C ASP A 93 4.390 -1.108 -11.668 1.00 0.00 C ATOM 1400 O ASP A 93 3.715 -0.592 -10.776 1.00 0.00 O ATOM 1401 CB ASP A 93 4.725 0.744 -13.315 1.00 0.00 C ATOM 1402 CG ASP A 93 4.983 1.076 -14.772 1.00 0.00 C ATOM 1403 OD1 ASP A 93 6.110 0.822 -15.248 1.00 0.00 O ATOM 1404 OD2 ASP A 93 4.059 1.588 -15.437 1.00 0.00 O ATOM 0 H ASP A 93 2.273 0.061 -13.375 1.00 0.00 H new ATOM 0 HA ASP A 93 4.802 -1.357 -13.750 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.994 1.444 -12.910 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.645 0.879 -12.746 1.00 0.00 H new ATOM 1409 N VAL A 94 5.297 -2.051 -11.434 1.00 0.00 N ATOM 1410 CA VAL A 94 5.558 -2.544 -10.087 1.00 0.00 C ATOM 1411 C VAL A 94 6.024 -1.418 -9.171 1.00 0.00 C ATOM 1412 O VAL A 94 6.039 -1.564 -7.948 1.00 0.00 O ATOM 1413 CB VAL A 94 6.622 -3.658 -10.094 1.00 0.00 C ATOM 1414 CG1 VAL A 94 6.150 -4.842 -10.925 1.00 0.00 C ATOM 1415 CG2 VAL A 94 7.948 -3.125 -10.614 1.00 0.00 C ATOM 0 H VAL A 94 5.864 -2.489 -12.160 1.00 0.00 H new ATOM 0 HA VAL A 94 4.619 -2.950 -9.711 1.00 0.00 H new ATOM 0 HB VAL A 94 6.771 -4.000 -9.070 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.914 -5.619 -10.918 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.227 -5.238 -10.503 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.970 -4.518 -11.950 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.688 -3.925 -10.612 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.818 -2.754 -11.631 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.290 -2.313 -9.973 1.00 0.00 H new ATOM 1425 N HIS A 95 6.403 -0.293 -9.770 1.00 0.00 N ATOM 1426 CA HIS A 95 6.868 0.860 -9.007 1.00 0.00 C ATOM 1427 C HIS A 95 5.714 1.514 -8.254 1.00 0.00 C ATOM 1428 O HIS A 95 5.893 2.036 -7.153 1.00 0.00 O ATOM 1429 CB HIS A 95 7.529 1.879 -9.936 1.00 0.00 C ATOM 1430 CG HIS A 95 8.573 1.285 -10.831 1.00 0.00 C ATOM 1431 ND1 HIS A 95 8.271 0.468 -11.900 1.00 0.00 N ATOM 1432 CD2 HIS A 95 9.922 1.394 -10.812 1.00 0.00 C ATOM 1433 CE1 HIS A 95 9.389 0.099 -12.499 1.00 0.00 C ATOM 1434 NE2 HIS A 95 10.405 0.648 -11.859 1.00 0.00 N ATOM 0 H HIS A 95 6.397 -0.156 -10.781 1.00 0.00 H new ATOM 0 HA HIS A 95 7.602 0.512 -8.280 1.00 0.00 H new ATOM 0 HB2 HIS A 95 6.761 2.350 -10.550 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.983 2.666 -9.334 1.00 0.00 H new ATOM 0 HD2 HIS A 95 10.509 1.962 -10.105 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.460 -0.543 -13.365 1.00 0.00 H new ATOM 0 HE2 HIS A 95 11.389 0.536 -12.103 1.00 0.00 H new ATOM 1443 N THR A 96 4.528 1.484 -8.854 1.00 0.00 N ATOM 1444 CA THR A 96 3.346 2.075 -8.242 1.00 0.00 C ATOM 1445 C THR A 96 2.746 1.146 -7.193 1.00 0.00 C ATOM 1446 O THR A 96 2.940 -0.069 -7.242 1.00 0.00 O ATOM 1447 CB THR A 96 2.271 2.402 -9.296 1.00 0.00 C ATOM 1448 OG1 THR A 96 1.745 1.191 -9.851 1.00 0.00 O ATOM 1449 CG2 THR A 96 2.847 3.267 -10.406 1.00 0.00 C ATOM 0 H THR A 96 4.361 1.056 -9.765 1.00 0.00 H new ATOM 0 HA THR A 96 3.668 3.000 -7.763 1.00 0.00 H new ATOM 0 HB THR A 96 1.469 2.955 -8.806 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.483 0.622 -10.152 1.00 0.00 H new ATOM 0 HG21 THR A 96 2.069 3.485 -11.138 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.220 4.200 -9.984 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.666 2.737 -10.893 1.00 0.00 H new ATOM 1457 N PHE A 97 2.018 1.724 -6.244 1.00 0.00 N ATOM 1458 CA PHE A 97 1.390 0.946 -5.181 1.00 0.00 C ATOM 1459 C PHE A 97 0.174 1.676 -4.619 1.00 0.00 C ATOM 1460 O PHE A 97 0.297 2.759 -4.047 1.00 0.00 O ATOM 1461 CB PHE A 97 2.395 0.667 -4.062 1.00 0.00 C ATOM 1462 CG PHE A 97 1.757 0.198 -2.786 1.00 0.00 C ATOM 1463 CD1 PHE A 97 1.158 -1.050 -2.714 1.00 0.00 C ATOM 1464 CD2 PHE A 97 1.755 1.004 -1.659 1.00 0.00 C ATOM 1465 CE1 PHE A 97 0.570 -1.484 -1.541 1.00 0.00 C ATOM 1466 CE2 PHE A 97 1.168 0.575 -0.484 1.00 0.00 C ATOM 1467 CZ PHE A 97 0.575 -0.671 -0.424 1.00 0.00 C ATOM 0 H PHE A 97 1.848 2.728 -6.189 1.00 0.00 H new ATOM 0 HA PHE A 97 1.058 -0.002 -5.605 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.105 -0.087 -4.402 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.965 1.574 -3.862 1.00 0.00 H new ATOM 0 HD1 PHE A 97 1.151 -1.690 -3.584 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.218 1.979 -1.699 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.107 -2.459 -1.498 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.173 1.214 0.387 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.116 -1.009 0.494 1.00 0.00 H new ATOM 1477 N ALA A 98 -0.999 1.075 -4.786 1.00 0.00 N ATOM 1478 CA ALA A 98 -2.237 1.667 -4.294 1.00 0.00 C ATOM 1479 C ALA A 98 -3.035 0.663 -3.468 1.00 0.00 C ATOM 1480 O ALA A 98 -2.852 -0.548 -3.598 1.00 0.00 O ATOM 1481 CB ALA A 98 -3.075 2.181 -5.456 1.00 0.00 C ATOM 0 H ALA A 98 -1.118 0.179 -5.258 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.978 2.506 -3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -3.996 2.620 -5.074 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.512 2.937 -6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -3.317 1.354 -6.124 1.00 0.00 H new ATOM 1487 N PHE A 99 -3.919 1.173 -2.618 1.00 0.00 N ATOM 1488 CA PHE A 99 -4.744 0.321 -1.769 1.00 0.00 C ATOM 1489 C PHE A 99 -6.070 1.001 -1.441 1.00 0.00 C ATOM 1490 O PHE A 99 -6.125 2.215 -1.243 1.00 0.00 O ATOM 1491 CB PHE A 99 -3.999 -0.021 -0.477 1.00 0.00 C ATOM 1492 CG PHE A 99 -3.619 1.186 0.333 1.00 0.00 C ATOM 1493 CD1 PHE A 99 -4.580 1.899 1.032 1.00 0.00 C ATOM 1494 CD2 PHE A 99 -2.301 1.607 0.396 1.00 0.00 C ATOM 1495 CE1 PHE A 99 -4.234 3.009 1.778 1.00 0.00 C ATOM 1496 CE2 PHE A 99 -1.948 2.716 1.141 1.00 0.00 C ATOM 1497 CZ PHE A 99 -2.916 3.419 1.832 1.00 0.00 C ATOM 0 H PHE A 99 -4.083 2.173 -2.498 1.00 0.00 H new ATOM 0 HA PHE A 99 -4.954 -0.600 -2.314 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.624 -0.675 0.131 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.097 -0.581 -0.724 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.612 1.583 0.993 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.540 1.062 -0.143 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.993 3.555 2.318 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.916 3.033 1.183 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.643 4.287 2.413 1.00 0.00 H new ATOM 1507 N ILE A 100 -7.136 0.209 -1.385 1.00 0.00 N ATOM 1508 CA ILE A 100 -8.461 0.733 -1.080 1.00 0.00 C ATOM 1509 C ILE A 100 -8.797 0.555 0.397 1.00 0.00 C ATOM 1510 O ILE A 100 -8.818 -0.564 0.908 1.00 0.00 O ATOM 1511 CB ILE A 100 -9.547 0.045 -1.928 1.00 0.00 C ATOM 1512 CG1 ILE A 100 -9.256 0.234 -3.419 1.00 0.00 C ATOM 1513 CG2 ILE A 100 -10.921 0.597 -1.577 1.00 0.00 C ATOM 1514 CD1 ILE A 100 -8.466 -0.903 -4.028 1.00 0.00 C ATOM 0 H ILE A 100 -7.107 -0.798 -1.547 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.442 1.796 -1.320 1.00 0.00 H new ATOM 0 HB ILE A 100 -9.538 -1.022 -1.708 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -10.199 0.338 -3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.705 1.164 -3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.678 0.101 -2.184 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.127 0.417 -0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -10.943 1.669 -1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.296 -0.702 -5.086 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.507 -0.994 -3.518 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -9.024 -1.833 -3.920 1.00 0.00 H new ATOM 1526 N MET A 101 -9.060 1.666 1.077 1.00 0.00 N ATOM 1527 CA MET A 101 -9.398 1.632 2.495 1.00 0.00 C ATOM 1528 C MET A 101 -10.823 2.126 2.726 1.00 0.00 C ATOM 1529 O MET A 101 -11.463 2.650 1.815 1.00 0.00 O ATOM 1530 CB MET A 101 -8.413 2.485 3.296 1.00 0.00 C ATOM 1531 CG MET A 101 -8.635 3.980 3.137 1.00 0.00 C ATOM 1532 SD MET A 101 -7.213 4.954 3.668 1.00 0.00 S ATOM 1533 CE MET A 101 -7.819 5.622 5.215 1.00 0.00 C ATOM 0 H MET A 101 -9.046 2.601 0.669 1.00 0.00 H new ATOM 0 HA MET A 101 -9.332 0.598 2.835 1.00 0.00 H new ATOM 0 HB2 MET A 101 -8.494 2.224 4.351 1.00 0.00 H new ATOM 0 HB3 MET A 101 -7.397 2.242 2.984 1.00 0.00 H new ATOM 0 HG2 MET A 101 -8.853 4.202 2.092 1.00 0.00 H new ATOM 0 HG3 MET A 101 -9.510 4.277 3.715 1.00 0.00 H new ATOM 0 HE1 MET A 101 -6.997 5.692 5.928 1.00 0.00 H new ATOM 0 HE2 MET A 101 -8.236 6.614 5.044 1.00 0.00 H new ATOM 0 HE3 MET A 101 -8.593 4.967 5.616 1.00 0.00 H new ATOM 1543 N ASP A 102 -11.312 1.956 3.949 1.00 0.00 N ATOM 1544 CA ASP A 102 -12.660 2.386 4.300 1.00 0.00 C ATOM 1545 C ASP A 102 -12.621 3.543 5.293 1.00 0.00 C ATOM 1546 O ASP A 102 -12.281 3.361 6.463 1.00 0.00 O ATOM 1547 CB ASP A 102 -13.453 1.218 4.890 1.00 0.00 C ATOM 1548 CG ASP A 102 -14.822 1.640 5.388 1.00 0.00 C ATOM 1549 OD1 ASP A 102 -15.698 1.927 4.545 1.00 0.00 O ATOM 1550 OD2 ASP A 102 -15.017 1.684 6.620 1.00 0.00 O ATOM 0 H ASP A 102 -10.795 1.523 4.714 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.154 2.728 3.391 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -13.568 0.442 4.133 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -12.889 0.779 5.713 1.00 0.00 H new ATOM 1555 N THR A 103 -12.969 4.735 4.819 1.00 0.00 N ATOM 1556 CA THR A 103 -12.972 5.922 5.664 1.00 0.00 C ATOM 1557 C THR A 103 -14.375 6.235 6.170 1.00 0.00 C ATOM 1558 O THR A 103 -14.801 7.389 6.176 1.00 0.00 O ATOM 1559 CB THR A 103 -12.425 7.149 4.911 1.00 0.00 C ATOM 1560 OG1 THR A 103 -13.203 7.388 3.733 1.00 0.00 O ATOM 1561 CG2 THR A 103 -10.967 6.944 4.528 1.00 0.00 C ATOM 0 H THR A 103 -13.253 4.904 3.854 1.00 0.00 H new ATOM 0 HA THR A 103 -12.323 5.706 6.513 1.00 0.00 H new ATOM 0 HB THR A 103 -12.493 8.013 5.572 1.00 0.00 H new ATOM 0 HG1 THR A 103 -12.850 8.171 3.261 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.603 7.824 3.997 1.00 0.00 H new ATOM 0 HG22 THR A 103 -10.372 6.792 5.429 1.00 0.00 H new ATOM 0 HG23 THR A 103 -10.880 6.069 3.883 1.00 0.00 H new ATOM 1607 N ARG A 107 -18.583 4.467 1.732 1.00 0.00 N ATOM 1608 CA ARG A 107 -17.625 5.256 0.967 1.00 0.00 C ATOM 1609 C ARG A 107 -16.205 4.737 1.175 1.00 0.00 C ATOM 1610 O ARG A 107 -15.737 4.616 2.307 1.00 0.00 O ATOM 1611 CB ARG A 107 -17.706 6.729 1.373 1.00 0.00 C ATOM 1612 CG ARG A 107 -17.127 7.014 2.749 1.00 0.00 C ATOM 1613 CD ARG A 107 -17.817 8.197 3.410 1.00 0.00 C ATOM 1614 NE ARG A 107 -17.247 9.472 2.982 1.00 0.00 N ATOM 1615 CZ ARG A 107 -17.873 10.637 3.107 1.00 0.00 C ATOM 1616 NH1 ARG A 107 -19.085 10.687 3.644 1.00 0.00 N ATOM 1617 NH2 ARG A 107 -17.288 11.754 2.695 1.00 0.00 N ATOM 0 HA ARG A 107 -17.876 5.163 -0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -17.177 7.331 0.634 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -18.749 7.046 1.354 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -17.233 6.131 3.379 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -16.060 7.217 2.661 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -18.880 8.177 3.171 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -17.732 8.107 4.493 1.00 0.00 H new ATOM 0 HE ARG A 107 -16.317 9.468 2.564 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -19.538 9.830 3.962 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -19.564 11.582 3.739 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -16.356 11.719 2.282 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -17.770 12.648 2.792 1.00 0.00 H new ATOM 1631 N PHE A 108 -15.526 4.432 0.075 1.00 0.00 N ATOM 1632 CA PHE A 108 -14.160 3.925 0.136 1.00 0.00 C ATOM 1633 C PHE A 108 -13.205 4.841 -0.623 1.00 0.00 C ATOM 1634 O PHE A 108 -13.502 5.281 -1.734 1.00 0.00 O ATOM 1635 CB PHE A 108 -14.093 2.509 -0.441 1.00 0.00 C ATOM 1636 CG PHE A 108 -15.179 1.604 0.064 1.00 0.00 C ATOM 1637 CD1 PHE A 108 -15.413 1.472 1.424 1.00 0.00 C ATOM 1638 CD2 PHE A 108 -15.966 0.883 -0.820 1.00 0.00 C ATOM 1639 CE1 PHE A 108 -16.412 0.640 1.892 1.00 0.00 C ATOM 1640 CE2 PHE A 108 -16.966 0.050 -0.357 1.00 0.00 C ATOM 1641 CZ PHE A 108 -17.189 -0.073 1.001 1.00 0.00 C ATOM 0 H PHE A 108 -15.899 4.527 -0.870 1.00 0.00 H new ATOM 0 HA PHE A 108 -13.855 3.899 1.182 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -14.154 2.565 -1.528 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -13.125 2.072 -0.198 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -14.807 2.026 2.126 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -15.796 0.973 -1.883 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -16.585 0.548 2.954 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -17.573 -0.505 -1.056 1.00 0.00 H new ATOM 0 HZ PHE A 108 -17.969 -0.725 1.365 1.00 0.00 H new ATOM 1651 N GLU A 109 -12.057 5.125 -0.015 1.00 0.00 N ATOM 1652 CA GLU A 109 -11.059 5.990 -0.633 1.00 0.00 C ATOM 1653 C GLU A 109 -9.829 5.190 -1.052 1.00 0.00 C ATOM 1654 O GLU A 109 -9.367 4.313 -0.320 1.00 0.00 O ATOM 1655 CB GLU A 109 -10.651 7.105 0.332 1.00 0.00 C ATOM 1656 CG GLU A 109 -9.211 7.560 0.162 1.00 0.00 C ATOM 1657 CD GLU A 109 -9.018 9.024 0.507 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -10.009 9.781 0.462 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -7.873 9.412 0.823 1.00 0.00 O ATOM 0 H GLU A 109 -11.795 4.769 0.904 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.503 6.434 -1.524 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.313 7.959 0.188 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.796 6.759 1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.565 6.953 0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -8.899 7.389 -0.868 1.00 0.00 H new ATOM 1666 N CYS A 110 -9.306 5.496 -2.233 1.00 0.00 N ATOM 1667 CA CYS A 110 -8.130 4.805 -2.751 1.00 0.00 C ATOM 1668 C CYS A 110 -6.909 5.718 -2.729 1.00 0.00 C ATOM 1669 O CYS A 110 -6.955 6.846 -3.222 1.00 0.00 O ATOM 1670 CB CYS A 110 -8.389 4.313 -4.176 1.00 0.00 C ATOM 1671 SG CYS A 110 -7.140 3.164 -4.798 1.00 0.00 S ATOM 0 H CYS A 110 -9.677 6.218 -2.851 1.00 0.00 H new ATOM 0 HA CYS A 110 -7.931 3.947 -2.109 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -9.364 3.826 -4.209 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -8.440 5.174 -4.843 1.00 0.00 H new ATOM 0 HG CYS A 110 -7.447 2.803 -6.008 1.00 0.00 H new ATOM 1677 N HIS A 111 -5.817 5.224 -2.153 1.00 0.00 N ATOM 1678 CA HIS A 111 -4.583 5.997 -2.066 1.00 0.00 C ATOM 1679 C HIS A 111 -3.521 5.432 -3.004 1.00 0.00 C ATOM 1680 O HIS A 111 -3.420 4.218 -3.186 1.00 0.00 O ATOM 1681 CB HIS A 111 -4.060 6.001 -0.629 1.00 0.00 C ATOM 1682 CG HIS A 111 -4.838 6.894 0.288 1.00 0.00 C ATOM 1683 ND1 HIS A 111 -5.842 6.617 1.152 1.00 0.00 N flip ATOM 1684 CD2 HIS A 111 -4.614 8.251 0.385 1.00 0.00 C flip ATOM 1685 CE1 HIS A 111 -6.203 7.800 1.750 1.00 0.00 C flip ATOM 1686 NE2 HIS A 111 -5.447 8.770 1.270 1.00 0.00 N flip ATOM 0 H HIS A 111 -5.762 4.293 -1.740 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.802 7.021 -2.368 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.084 4.983 -0.239 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -3.017 6.316 -0.631 1.00 0.00 H new ATOM 0 HD1 HIS A 111 -6.254 5.700 1.327 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -3.874 8.803 -0.175 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -6.979 7.917 2.492 1.00 0.00 H new ATOM 1694 N VAL A 112 -2.731 6.320 -3.600 1.00 0.00 N ATOM 1695 CA VAL A 112 -1.677 5.910 -4.519 1.00 0.00 C ATOM 1696 C VAL A 112 -0.322 6.452 -4.079 1.00 0.00 C ATOM 1697 O VAL A 112 -0.171 7.648 -3.829 1.00 0.00 O ATOM 1698 CB VAL A 112 -1.966 6.388 -5.955 1.00 0.00 C ATOM 1699 CG1 VAL A 112 -0.914 5.857 -6.917 1.00 0.00 C ATOM 1700 CG2 VAL A 112 -3.361 5.959 -6.387 1.00 0.00 C ATOM 0 H VAL A 112 -2.802 7.328 -3.462 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.652 4.820 -4.504 1.00 0.00 H new ATOM 0 HB VAL A 112 -1.923 7.477 -5.973 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -1.135 6.205 -7.926 1.00 0.00 H new ATOM 0 HG12 VAL A 112 0.070 6.218 -6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -0.922 4.767 -6.899 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.549 6.304 -7.403 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.434 4.872 -6.354 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -4.100 6.393 -5.713 1.00 0.00 H new ATOM 1710 N PHE A 113 0.663 5.564 -3.985 1.00 0.00 N ATOM 1711 CA PHE A 113 2.007 5.953 -3.573 1.00 0.00 C ATOM 1712 C PHE A 113 3.059 5.303 -4.467 1.00 0.00 C ATOM 1713 O PHE A 113 3.006 4.102 -4.733 1.00 0.00 O ATOM 1714 CB PHE A 113 2.249 5.563 -2.114 1.00 0.00 C ATOM 1715 CG PHE A 113 1.185 6.056 -1.177 1.00 0.00 C ATOM 1716 CD1 PHE A 113 1.254 7.331 -0.638 1.00 0.00 C ATOM 1717 CD2 PHE A 113 0.114 5.245 -0.834 1.00 0.00 C ATOM 1718 CE1 PHE A 113 0.276 7.786 0.226 1.00 0.00 C ATOM 1719 CE2 PHE A 113 -0.867 5.696 0.028 1.00 0.00 C ATOM 1720 CZ PHE A 113 -0.787 6.969 0.558 1.00 0.00 C ATOM 0 H PHE A 113 0.556 4.570 -4.189 1.00 0.00 H new ATOM 0 HA PHE A 113 2.091 7.035 -3.671 1.00 0.00 H new ATOM 0 HB2 PHE A 113 2.310 4.477 -2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.214 5.959 -1.796 1.00 0.00 H new ATOM 0 HD1 PHE A 113 2.081 7.976 -0.896 1.00 0.00 H new ATOM 0 HD2 PHE A 113 0.046 4.249 -1.246 1.00 0.00 H new ATOM 0 HE1 PHE A 113 0.343 8.781 0.642 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -1.696 5.054 0.287 1.00 0.00 H new ATOM 0 HZ PHE A 113 -1.554 7.325 1.230 1.00 0.00 H new ATOM 1730 N TRP A 114 4.012 6.105 -4.928 1.00 0.00 N ATOM 1731 CA TRP A 114 5.076 5.609 -5.793 1.00 0.00 C ATOM 1732 C TRP A 114 6.226 5.040 -4.969 1.00 0.00 C ATOM 1733 O TRP A 114 6.625 5.621 -3.958 1.00 0.00 O ATOM 1734 CB TRP A 114 5.587 6.728 -6.701 1.00 0.00 C ATOM 1735 CG TRP A 114 6.698 6.295 -7.609 1.00 0.00 C ATOM 1736 CD1 TRP A 114 8.022 6.186 -7.291 1.00 0.00 C ATOM 1737 CD2 TRP A 114 6.581 5.917 -8.985 1.00 0.00 C ATOM 1738 NE1 TRP A 114 8.735 5.762 -8.386 1.00 0.00 N ATOM 1739 CE2 TRP A 114 7.874 5.589 -9.438 1.00 0.00 C ATOM 1740 CE3 TRP A 114 5.511 5.820 -9.878 1.00 0.00 C ATOM 1741 CZ2 TRP A 114 8.123 5.173 -10.743 1.00 0.00 C ATOM 1742 CZ3 TRP A 114 5.759 5.408 -11.173 1.00 0.00 C ATOM 1743 CH2 TRP A 114 7.056 5.088 -11.596 1.00 0.00 C ATOM 0 H TRP A 114 4.070 7.101 -4.717 1.00 0.00 H new ATOM 0 HA TRP A 114 4.666 4.810 -6.410 1.00 0.00 H new ATOM 0 HB2 TRP A 114 4.760 7.103 -7.304 1.00 0.00 H new ATOM 0 HB3 TRP A 114 5.934 7.557 -6.084 1.00 0.00 H new ATOM 0 HD1 TRP A 114 8.446 6.401 -6.321 1.00 0.00 H new ATOM 0 HE1 TRP A 114 9.742 5.602 -8.412 1.00 0.00 H new ATOM 0 HE3 TRP A 114 4.507 6.063 -9.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 9.122 4.926 -11.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 4.939 5.331 -11.872 1.00 0.00 H new ATOM 0 HH2 TRP A 114 7.217 4.768 -12.615 1.00 0.00 H new ATOM 1754 N CYS A 115 6.756 3.903 -5.406 1.00 0.00 N ATOM 1755 CA CYS A 115 7.861 3.256 -4.707 1.00 0.00 C ATOM 1756 C CYS A 115 9.055 3.065 -5.637 1.00 0.00 C ATOM 1757 O CYS A 115 8.890 2.865 -6.840 1.00 0.00 O ATOM 1758 CB CYS A 115 7.415 1.905 -4.146 1.00 0.00 C ATOM 1759 SG CYS A 115 6.035 2.008 -2.983 1.00 0.00 S ATOM 0 H CYS A 115 6.439 3.410 -6.241 1.00 0.00 H new ATOM 0 HA CYS A 115 8.165 3.901 -3.883 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.131 1.256 -4.974 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.262 1.433 -3.648 1.00 0.00 H new ATOM 0 HG CYS A 115 5.006 2.536 -3.576 1.00 0.00 H new ATOM 1765 N GLU A 116 10.256 3.130 -5.071 1.00 0.00 N ATOM 1766 CA GLU A 116 11.477 2.967 -5.851 1.00 0.00 C ATOM 1767 C GLU A 116 12.491 2.108 -5.101 1.00 0.00 C ATOM 1768 O GLU A 116 12.763 2.314 -3.919 1.00 0.00 O ATOM 1769 CB GLU A 116 12.089 4.332 -6.174 1.00 0.00 C ATOM 1770 CG GLU A 116 12.124 5.279 -4.987 1.00 0.00 C ATOM 1771 CD GLU A 116 13.273 4.988 -4.042 1.00 0.00 C ATOM 1772 OE1 GLU A 116 14.422 4.885 -4.521 1.00 0.00 O ATOM 1773 OE2 GLU A 116 13.025 4.864 -2.824 1.00 0.00 O ATOM 0 H GLU A 116 10.409 3.294 -4.076 1.00 0.00 H new ATOM 0 HA GLU A 116 11.218 2.464 -6.782 1.00 0.00 H new ATOM 0 HB2 GLU A 116 13.104 4.187 -6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 116 11.520 4.794 -6.980 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.206 6.304 -5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 116 11.183 5.207 -4.442 1.00 0.00 H new ATOM 1780 N PRO A 117 13.063 1.119 -5.805 1.00 0.00 N ATOM 1781 CA PRO A 117 12.746 0.863 -7.213 1.00 0.00 C ATOM 1782 C PRO A 117 11.336 0.312 -7.399 1.00 0.00 C ATOM 1783 O PRO A 117 10.584 0.781 -8.252 1.00 0.00 O ATOM 1784 CB PRO A 117 13.787 -0.180 -7.627 1.00 0.00 C ATOM 1785 CG PRO A 117 14.159 -0.867 -6.359 1.00 0.00 C ATOM 1786 CD PRO A 117 14.063 0.175 -5.279 1.00 0.00 C ATOM 0 HA PRO A 117 12.776 1.775 -7.810 1.00 0.00 H new ATOM 0 HB2 PRO A 117 13.377 -0.883 -8.352 1.00 0.00 H new ATOM 0 HB3 PRO A 117 14.654 0.289 -8.092 1.00 0.00 H new ATOM 0 HG2 PRO A 117 13.488 -1.702 -6.156 1.00 0.00 H new ATOM 0 HG3 PRO A 117 15.168 -1.276 -6.418 1.00 0.00 H new ATOM 0 HD2 PRO A 117 13.747 -0.258 -4.330 1.00 0.00 H new ATOM 0 HD3 PRO A 117 15.022 0.662 -5.104 1.00 0.00 H new ATOM 1794 N ASN A 118 10.985 -0.685 -6.594 1.00 0.00 N ATOM 1795 CA ASN A 118 9.664 -1.300 -6.670 1.00 0.00 C ATOM 1796 C ASN A 118 8.965 -1.257 -5.315 1.00 0.00 C ATOM 1797 O ASN A 118 9.502 -0.724 -4.345 1.00 0.00 O ATOM 1798 CB ASN A 118 9.780 -2.748 -7.151 1.00 0.00 C ATOM 1799 CG ASN A 118 10.831 -3.529 -6.387 1.00 0.00 C ATOM 1800 OD1 ASN A 118 10.385 -4.385 -5.475 1.00 0.00 O flip ATOM 1801 ND2 ASN A 118 12.030 -3.365 -6.614 1.00 0.00 N flip ATOM 0 H ASN A 118 11.596 -1.085 -5.882 1.00 0.00 H new ATOM 0 HA ASN A 118 9.067 -0.733 -7.385 1.00 0.00 H new ATOM 0 HB2 ASN A 118 8.814 -3.242 -7.043 1.00 0.00 H new ATOM 0 HB3 ASN A 118 10.026 -2.757 -8.213 1.00 0.00 H new ATOM 0 HD21 ASN A 118 12.328 -2.696 -7.324 1.00 0.00 H new ATOM 0 HD22 ASN A 118 12.725 -3.898 -6.092 1.00 0.00 H new ATOM 1808 N ALA A 119 7.764 -1.823 -5.257 1.00 0.00 N ATOM 1809 CA ALA A 119 6.992 -1.852 -4.021 1.00 0.00 C ATOM 1810 C ALA A 119 6.992 -3.247 -3.406 1.00 0.00 C ATOM 1811 O ALA A 119 5.939 -3.785 -3.063 1.00 0.00 O ATOM 1812 CB ALA A 119 5.566 -1.386 -4.278 1.00 0.00 C ATOM 0 H ALA A 119 7.305 -2.268 -6.052 1.00 0.00 H new ATOM 0 HA ALA A 119 7.463 -1.171 -3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 119 5.001 -1.413 -3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 119 5.580 -0.367 -4.665 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.094 -2.044 -5.008 1.00 0.00 H new ATOM 1818 N ALA A 120 8.179 -3.829 -3.271 1.00 0.00 N ATOM 1819 CA ALA A 120 8.316 -5.161 -2.696 1.00 0.00 C ATOM 1820 C ALA A 120 8.104 -5.132 -1.186 1.00 0.00 C ATOM 1821 O ALA A 120 7.228 -5.816 -0.660 1.00 0.00 O ATOM 1822 CB ALA A 120 9.682 -5.742 -3.028 1.00 0.00 C ATOM 0 H ALA A 120 9.060 -3.399 -3.552 1.00 0.00 H new ATOM 0 HA ALA A 120 7.547 -5.798 -3.132 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.770 -6.737 -2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.796 -5.809 -4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.461 -5.097 -2.620 1.00 0.00 H new ATOM 1828 N ASN A 121 8.914 -4.337 -0.495 1.00 0.00 N ATOM 1829 CA ASN A 121 8.816 -4.220 0.955 1.00 0.00 C ATOM 1830 C ASN A 121 7.475 -3.618 1.363 1.00 0.00 C ATOM 1831 O ASN A 121 6.882 -4.017 2.366 1.00 0.00 O ATOM 1832 CB ASN A 121 9.959 -3.360 1.497 1.00 0.00 C ATOM 1833 CG ASN A 121 11.282 -4.102 1.516 1.00 0.00 C ATOM 1834 OD1 ASN A 121 11.806 -4.432 2.580 1.00 0.00 O ATOM 1835 ND2 ASN A 121 11.828 -4.367 0.335 1.00 0.00 N ATOM 0 H ASN A 121 9.646 -3.764 -0.916 1.00 0.00 H new ATOM 0 HA ASN A 121 8.890 -5.221 1.381 1.00 0.00 H new ATOM 0 HB2 ASN A 121 10.057 -2.463 0.885 1.00 0.00 H new ATOM 0 HB3 ASN A 121 9.715 -3.031 2.507 1.00 0.00 H new ATOM 0 HD21 ASN A 121 12.718 -4.863 0.284 1.00 0.00 H new ATOM 0 HD22 ASN A 121 11.358 -4.074 -0.521 1.00 0.00 H new ATOM 1842 N VAL A 122 7.001 -2.655 0.578 1.00 0.00 N ATOM 1843 CA VAL A 122 5.729 -1.999 0.856 1.00 0.00 C ATOM 1844 C VAL A 122 4.575 -2.994 0.809 1.00 0.00 C ATOM 1845 O VAL A 122 3.917 -3.245 1.819 1.00 0.00 O ATOM 1846 CB VAL A 122 5.453 -0.863 -0.146 1.00 0.00 C ATOM 1847 CG1 VAL A 122 4.131 -0.181 0.170 1.00 0.00 C ATOM 1848 CG2 VAL A 122 6.595 0.142 -0.140 1.00 0.00 C ATOM 0 H VAL A 122 7.479 -2.312 -0.255 1.00 0.00 H new ATOM 0 HA VAL A 122 5.802 -1.579 1.859 1.00 0.00 H new ATOM 0 HB VAL A 122 5.383 -1.293 -1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 122 3.953 0.619 -0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.322 -0.909 0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.169 0.237 1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 122 6.383 0.938 -0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 122 6.700 0.568 0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 122 7.522 -0.359 -0.420 1.00 0.00 H new ATOM 1858 N SER A 123 4.336 -3.559 -0.370 1.00 0.00 N ATOM 1859 CA SER A 123 3.259 -4.526 -0.550 1.00 0.00 C ATOM 1860 C SER A 123 3.400 -5.685 0.432 1.00 0.00 C ATOM 1861 O SER A 123 2.419 -6.129 1.028 1.00 0.00 O ATOM 1862 CB SER A 123 3.255 -5.056 -1.985 1.00 0.00 C ATOM 1863 OG SER A 123 2.628 -4.139 -2.865 1.00 0.00 O ATOM 0 H SER A 123 4.873 -3.364 -1.215 1.00 0.00 H new ATOM 0 HA SER A 123 2.313 -4.020 -0.355 1.00 0.00 H new ATOM 0 HB2 SER A 123 4.279 -5.237 -2.312 1.00 0.00 H new ATOM 0 HB3 SER A 123 2.735 -6.013 -2.021 1.00 0.00 H new ATOM 0 HG SER A 123 2.246 -3.399 -2.348 1.00 0.00 H new ATOM 1869 N GLU A 124 4.627 -6.169 0.594 1.00 0.00 N ATOM 1870 CA GLU A 124 4.896 -7.278 1.503 1.00 0.00 C ATOM 1871 C GLU A 124 4.506 -6.915 2.933 1.00 0.00 C ATOM 1872 O GLU A 124 3.960 -7.739 3.666 1.00 0.00 O ATOM 1873 CB GLU A 124 6.376 -7.663 1.448 1.00 0.00 C ATOM 1874 CG GLU A 124 6.781 -8.676 2.506 1.00 0.00 C ATOM 1875 CD GLU A 124 6.400 -10.095 2.131 1.00 0.00 C ATOM 1876 OE1 GLU A 124 6.607 -10.474 0.959 1.00 0.00 O ATOM 1877 OE2 GLU A 124 5.894 -10.826 3.008 1.00 0.00 O ATOM 0 H GLU A 124 5.450 -5.812 0.109 1.00 0.00 H new ATOM 0 HA GLU A 124 4.294 -8.130 1.186 1.00 0.00 H new ATOM 0 HB2 GLU A 124 6.600 -8.070 0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 124 6.981 -6.764 1.567 1.00 0.00 H new ATOM 0 HG2 GLU A 124 7.858 -8.622 2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 124 6.309 -8.415 3.453 1.00 0.00 H new ATOM 1884 N ALA A 125 4.792 -5.677 3.322 1.00 0.00 N ATOM 1885 CA ALA A 125 4.471 -5.205 4.663 1.00 0.00 C ATOM 1886 C ALA A 125 2.962 -5.107 4.864 1.00 0.00 C ATOM 1887 O ALA A 125 2.412 -5.685 5.802 1.00 0.00 O ATOM 1888 CB ALA A 125 5.128 -3.857 4.920 1.00 0.00 C ATOM 0 H ALA A 125 5.245 -4.983 2.728 1.00 0.00 H new ATOM 0 HA ALA A 125 4.861 -5.929 5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 125 4.879 -3.517 5.925 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.210 -3.956 4.827 1.00 0.00 H new ATOM 0 HB3 ALA A 125 4.766 -3.131 4.192 1.00 0.00 H new ATOM 1894 N VAL A 126 2.299 -4.372 3.978 1.00 0.00 N ATOM 1895 CA VAL A 126 0.853 -4.198 4.058 1.00 0.00 C ATOM 1896 C VAL A 126 0.133 -5.538 3.959 1.00 0.00 C ATOM 1897 O VAL A 126 -0.852 -5.777 4.657 1.00 0.00 O ATOM 1898 CB VAL A 126 0.337 -3.267 2.945 1.00 0.00 C ATOM 1899 CG1 VAL A 126 0.741 -3.795 1.577 1.00 0.00 C ATOM 1900 CG2 VAL A 126 -1.173 -3.110 3.040 1.00 0.00 C ATOM 0 H VAL A 126 2.740 -3.887 3.196 1.00 0.00 H new ATOM 0 HA VAL A 126 0.641 -3.745 5.027 1.00 0.00 H new ATOM 0 HB VAL A 126 0.791 -2.285 3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 126 0.368 -3.124 0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 126 1.828 -3.851 1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 126 0.318 -4.789 1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -1.521 -2.449 2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -1.648 -4.085 2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -1.434 -2.683 4.008 1.00 0.00 H new ATOM 1910 N GLN A 127 0.631 -6.409 3.087 1.00 0.00 N ATOM 1911 CA GLN A 127 0.034 -7.726 2.897 1.00 0.00 C ATOM 1912 C GLN A 127 0.140 -8.560 4.169 1.00 0.00 C ATOM 1913 O GLN A 127 -0.863 -9.054 4.684 1.00 0.00 O ATOM 1914 CB GLN A 127 0.714 -8.454 1.736 1.00 0.00 C ATOM 1915 CG GLN A 127 0.222 -9.879 1.541 1.00 0.00 C ATOM 1916 CD GLN A 127 1.022 -10.635 0.499 1.00 0.00 C ATOM 1917 OE1 GLN A 127 1.792 -11.539 0.826 1.00 0.00 O ATOM 1918 NE2 GLN A 127 0.844 -10.269 -0.765 1.00 0.00 N ATOM 0 H GLN A 127 1.446 -6.227 2.501 1.00 0.00 H new ATOM 0 HA GLN A 127 -1.022 -7.589 2.662 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.547 -7.892 0.817 1.00 0.00 H new ATOM 0 HB3 GLN A 127 1.790 -8.470 1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 127 0.275 -10.411 2.491 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.827 -9.860 1.245 1.00 0.00 H new ATOM 0 HE21 GLN A 127 0.196 -9.515 -0.991 1.00 0.00 H new ATOM 0 HE22 GLN A 127 1.355 -10.742 -1.510 1.00 0.00 H new ATOM 1927 N ALA A 128 1.361 -8.713 4.670 1.00 0.00 N ATOM 1928 CA ALA A 128 1.597 -9.486 5.883 1.00 0.00 C ATOM 1929 C ALA A 128 0.883 -8.865 7.079 1.00 0.00 C ATOM 1930 O ALA A 128 0.294 -9.570 7.897 1.00 0.00 O ATOM 1931 CB ALA A 128 3.090 -9.596 6.157 1.00 0.00 C ATOM 0 H ALA A 128 2.202 -8.312 4.255 1.00 0.00 H new ATOM 0 HA ALA A 128 1.191 -10.486 5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 128 3.251 -10.176 7.066 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.578 -10.092 5.318 1.00 0.00 H new ATOM 0 HB3 ALA A 128 3.511 -8.599 6.283 1.00 0.00 H new ATOM 1937 N ALA A 129 0.941 -7.541 7.173 1.00 0.00 N ATOM 1938 CA ALA A 129 0.298 -6.824 8.268 1.00 0.00 C ATOM 1939 C ALA A 129 -1.091 -7.387 8.552 1.00 0.00 C ATOM 1940 O ALA A 129 -1.568 -7.345 9.687 1.00 0.00 O ATOM 1941 CB ALA A 129 0.213 -5.339 7.949 1.00 0.00 C ATOM 0 H ALA A 129 1.426 -6.943 6.504 1.00 0.00 H new ATOM 0 HA ALA A 129 0.905 -6.957 9.163 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -0.269 -4.816 8.775 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.217 -4.940 7.804 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -0.370 -5.195 7.039 1.00 0.00 H new ATOM 1947 N CYS A 130 -1.735 -7.911 7.515 1.00 0.00 N ATOM 1948 CA CYS A 130 -3.070 -8.481 7.653 1.00 0.00 C ATOM 1949 C CYS A 130 -3.030 -9.772 8.464 1.00 0.00 C ATOM 1950 O CYS A 130 -3.736 -9.912 9.462 1.00 0.00 O ATOM 1951 CB CYS A 130 -3.678 -8.748 6.275 1.00 0.00 C ATOM 1952 SG CYS A 130 -3.886 -7.267 5.260 1.00 0.00 S ATOM 0 H CYS A 130 -1.354 -7.953 6.570 1.00 0.00 H new ATOM 0 HA CYS A 130 -3.692 -7.760 8.183 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -3.044 -9.455 5.741 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -4.649 -9.226 6.405 1.00 0.00 H new ATOM 0 HG CYS A 130 -5.144 -6.941 5.221 1.00 0.00 H new ATOM 2337 N HIS A 163 6.221 -12.097 -6.454 1.00 0.00 N ATOM 2338 CA HIS A 163 5.164 -11.644 -5.557 1.00 0.00 C ATOM 2339 C HIS A 163 4.513 -10.369 -6.085 1.00 0.00 C ATOM 2340 O HIS A 163 3.301 -10.321 -6.299 1.00 0.00 O ATOM 2341 CB HIS A 163 5.725 -11.402 -4.155 1.00 0.00 C ATOM 2342 CG HIS A 163 4.995 -10.338 -3.394 1.00 0.00 C ATOM 2343 ND1 HIS A 163 5.429 -9.165 -2.876 1.00 0.00 N flip ATOM 2344 CD2 HIS A 163 3.654 -10.419 -3.086 1.00 0.00 C flip ATOM 2345 CE1 HIS A 163 4.352 -8.564 -2.272 1.00 0.00 C flip ATOM 2346 NE2 HIS A 163 3.293 -9.340 -2.414 1.00 0.00 N flip ATOM 0 HA HIS A 163 4.405 -12.424 -5.506 1.00 0.00 H new ATOM 0 HB2 HIS A 163 5.685 -12.334 -3.591 1.00 0.00 H new ATOM 0 HB3 HIS A 163 6.776 -11.123 -4.236 1.00 0.00 H new ATOM 0 HD1 HIS A 163 6.379 -8.796 -2.925 1.00 0.00 H new ATOM 0 HD2 HIS A 163 3.000 -11.237 -3.352 1.00 0.00 H new ATOM 0 HE1 HIS A 163 4.368 -7.611 -1.763 1.00 0.00 H new ATOM 2354 N LEU A 164 5.325 -9.338 -6.291 1.00 0.00 N ATOM 2355 CA LEU A 164 4.829 -8.061 -6.792 1.00 0.00 C ATOM 2356 C LEU A 164 3.774 -8.275 -7.874 1.00 0.00 C ATOM 2357 O LEU A 164 2.710 -7.657 -7.847 1.00 0.00 O ATOM 2358 CB LEU A 164 5.983 -7.225 -7.347 1.00 0.00 C ATOM 2359 CG LEU A 164 6.857 -6.517 -6.312 1.00 0.00 C ATOM 2360 CD1 LEU A 164 8.281 -6.369 -6.826 1.00 0.00 C ATOM 2361 CD2 LEU A 164 6.271 -5.157 -5.960 1.00 0.00 C ATOM 0 H LEU A 164 6.330 -9.361 -6.119 1.00 0.00 H new ATOM 0 HA LEU A 164 4.369 -7.526 -5.961 1.00 0.00 H new ATOM 0 HB2 LEU A 164 6.620 -7.875 -7.947 1.00 0.00 H new ATOM 0 HB3 LEU A 164 5.570 -6.473 -8.020 1.00 0.00 H new ATOM 0 HG LEU A 164 6.881 -7.126 -5.408 1.00 0.00 H new ATOM 0 HD11 LEU A 164 8.888 -5.863 -6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 164 8.700 -7.355 -7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 164 8.277 -5.783 -7.745 1.00 0.00 H new ATOM 0 HD21 LEU A 164 6.906 -4.667 -5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 164 6.216 -4.541 -6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 164 5.270 -5.288 -5.548 1.00 0.00 H new ATOM 2373 N SER A 165 4.077 -9.154 -8.823 1.00 0.00 N ATOM 2374 CA SER A 165 3.156 -9.448 -9.915 1.00 0.00 C ATOM 2375 C SER A 165 1.811 -9.926 -9.377 1.00 0.00 C ATOM 2376 O SER A 165 0.757 -9.584 -9.914 1.00 0.00 O ATOM 2377 CB SER A 165 3.753 -10.508 -10.843 1.00 0.00 C ATOM 2378 OG SER A 165 4.070 -11.690 -10.129 1.00 0.00 O ATOM 0 H SER A 165 4.953 -9.675 -8.858 1.00 0.00 H new ATOM 0 HA SER A 165 2.996 -8.530 -10.480 1.00 0.00 H new ATOM 0 HB2 SER A 165 3.045 -10.739 -11.639 1.00 0.00 H new ATOM 0 HB3 SER A 165 4.651 -10.115 -11.319 1.00 0.00 H new ATOM 0 HG SER A 165 4.448 -12.352 -10.744 1.00 0.00 H new ATOM 2384 N LYS A 166 1.855 -10.720 -8.312 1.00 0.00 N ATOM 2385 CA LYS A 166 0.641 -11.246 -7.699 1.00 0.00 C ATOM 2386 C LYS A 166 -0.330 -10.119 -7.361 1.00 0.00 C ATOM 2387 O LYS A 166 -1.504 -10.169 -7.727 1.00 0.00 O ATOM 2388 CB LYS A 166 0.986 -12.034 -6.433 1.00 0.00 C ATOM 2389 CG LYS A 166 1.975 -13.162 -6.668 1.00 0.00 C ATOM 2390 CD LYS A 166 1.327 -14.328 -7.396 1.00 0.00 C ATOM 2391 CE LYS A 166 0.695 -15.311 -6.422 1.00 0.00 C ATOM 2392 NZ LYS A 166 -0.724 -14.967 -6.130 1.00 0.00 N ATOM 0 H LYS A 166 2.719 -11.013 -7.856 1.00 0.00 H new ATOM 0 HA LYS A 166 0.161 -11.913 -8.415 1.00 0.00 H new ATOM 0 HB2 LYS A 166 1.398 -11.350 -5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 166 0.070 -12.448 -6.012 1.00 0.00 H new ATOM 0 HG2 LYS A 166 2.819 -12.792 -7.250 1.00 0.00 H new ATOM 0 HG3 LYS A 166 2.372 -13.504 -5.712 1.00 0.00 H new ATOM 0 HD2 LYS A 166 0.567 -13.953 -8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 166 2.075 -14.842 -8.000 1.00 0.00 H new ATOM 0 HE2 LYS A 166 0.747 -16.318 -6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 166 1.265 -15.319 -5.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -1.252 -15.834 -5.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -0.764 -14.315 -5.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -1.149 -14.512 -6.963 1.00 0.00 H new ATOM 2406 N MET A 167 0.168 -9.105 -6.662 1.00 0.00 N ATOM 2407 CA MET A 167 -0.656 -7.964 -6.278 1.00 0.00 C ATOM 2408 C MET A 167 -1.426 -7.422 -7.478 1.00 0.00 C ATOM 2409 O MET A 167 -2.656 -7.377 -7.468 1.00 0.00 O ATOM 2410 CB MET A 167 0.213 -6.860 -5.673 1.00 0.00 C ATOM 2411 CG MET A 167 1.017 -7.313 -4.465 1.00 0.00 C ATOM 2412 SD MET A 167 -0.015 -8.033 -3.174 1.00 0.00 S ATOM 2413 CE MET A 167 -0.522 -6.563 -2.286 1.00 0.00 C ATOM 0 H MET A 167 1.137 -9.050 -6.350 1.00 0.00 H new ATOM 0 HA MET A 167 -1.374 -8.301 -5.530 1.00 0.00 H new ATOM 0 HB2 MET A 167 0.897 -6.488 -6.436 1.00 0.00 H new ATOM 0 HB3 MET A 167 -0.425 -6.025 -5.382 1.00 0.00 H new ATOM 0 HG2 MET A 167 1.760 -8.045 -4.782 1.00 0.00 H new ATOM 0 HG3 MET A 167 1.562 -6.462 -4.057 1.00 0.00 H new ATOM 0 HE1 MET A 167 -1.001 -6.850 -1.350 1.00 0.00 H new ATOM 0 HE2 MET A 167 0.352 -5.947 -2.072 1.00 0.00 H new ATOM 0 HE3 MET A 167 -1.226 -5.995 -2.894 1.00 0.00 H new ATOM 2423 N GLN A 168 -0.695 -7.010 -8.508 1.00 0.00 N ATOM 2424 CA GLN A 168 -1.310 -6.470 -9.714 1.00 0.00 C ATOM 2425 C GLN A 168 -2.135 -7.535 -10.429 1.00 0.00 C ATOM 2426 O GLN A 168 -3.114 -7.223 -11.107 1.00 0.00 O ATOM 2427 CB GLN A 168 -0.238 -5.921 -10.657 1.00 0.00 C ATOM 2428 CG GLN A 168 0.755 -6.971 -11.127 1.00 0.00 C ATOM 2429 CD GLN A 168 1.559 -6.518 -12.330 1.00 0.00 C ATOM 2430 OE1 GLN A 168 1.705 -7.254 -13.306 1.00 0.00 O ATOM 2431 NE2 GLN A 168 2.085 -5.301 -12.266 1.00 0.00 N ATOM 0 H GLN A 168 0.324 -7.040 -8.531 1.00 0.00 H new ATOM 0 HA GLN A 168 -1.975 -5.658 -9.419 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -0.723 -5.477 -11.526 1.00 0.00 H new ATOM 0 HB3 GLN A 168 0.304 -5.121 -10.152 1.00 0.00 H new ATOM 0 HG2 GLN A 168 1.435 -7.213 -10.311 1.00 0.00 H new ATOM 0 HG3 GLN A 168 0.219 -7.886 -11.377 1.00 0.00 H new ATOM 0 HE21 GLN A 168 1.938 -4.725 -11.437 1.00 0.00 H new ATOM 0 HE22 GLN A 168 2.636 -4.942 -13.046 1.00 0.00 H new ATOM 2440 N GLN A 169 -1.734 -8.792 -10.271 1.00 0.00 N ATOM 2441 CA GLN A 169 -2.436 -9.903 -10.903 1.00 0.00 C ATOM 2442 C GLN A 169 -3.871 -10.000 -10.394 1.00 0.00 C ATOM 2443 O GLN A 169 -4.820 -9.742 -11.133 1.00 0.00 O ATOM 2444 CB GLN A 169 -1.699 -11.217 -10.638 1.00 0.00 C ATOM 2445 CG GLN A 169 -0.666 -11.560 -11.699 1.00 0.00 C ATOM 2446 CD GLN A 169 -0.202 -13.001 -11.618 1.00 0.00 C ATOM 2447 OE1 GLN A 169 -0.607 -13.746 -10.725 1.00 0.00 O ATOM 2448 NE2 GLN A 169 0.652 -13.402 -12.552 1.00 0.00 N ATOM 0 H GLN A 169 -0.927 -9.067 -9.711 1.00 0.00 H new ATOM 0 HA GLN A 169 -2.462 -9.719 -11.977 1.00 0.00 H new ATOM 0 HB2 GLN A 169 -1.205 -11.158 -9.668 1.00 0.00 H new ATOM 0 HB3 GLN A 169 -2.427 -12.026 -10.576 1.00 0.00 H new ATOM 0 HG2 GLN A 169 -1.089 -11.374 -12.686 1.00 0.00 H new ATOM 0 HG3 GLN A 169 0.194 -10.899 -11.591 1.00 0.00 H new ATOM 0 HE21 GLN A 169 0.961 -12.751 -13.274 1.00 0.00 H new ATOM 0 HE22 GLN A 169 0.999 -14.361 -12.548 1.00 0.00 H new ATOM 2457 N ASN A 170 -4.020 -10.373 -9.127 1.00 0.00 N ATOM 2458 CA ASN A 170 -5.340 -10.504 -8.520 1.00 0.00 C ATOM 2459 C ASN A 170 -5.464 -9.610 -7.289 1.00 0.00 C ATOM 2460 O ASN A 170 -6.540 -9.096 -6.989 1.00 0.00 O ATOM 2461 CB ASN A 170 -5.603 -11.961 -8.134 1.00 0.00 C ATOM 2462 CG ASN A 170 -4.590 -12.487 -7.136 1.00 0.00 C ATOM 2463 OD1 ASN A 170 -4.862 -12.559 -5.937 1.00 0.00 O ATOM 2464 ND2 ASN A 170 -3.414 -12.860 -7.627 1.00 0.00 N ATOM 0 H ASN A 170 -3.244 -10.590 -8.501 1.00 0.00 H new ATOM 0 HA ASN A 170 -6.083 -10.188 -9.253 1.00 0.00 H new ATOM 0 HB2 ASN A 170 -6.604 -12.047 -7.711 1.00 0.00 H new ATOM 0 HB3 ASN A 170 -5.581 -12.581 -9.030 1.00 0.00 H new ATOM 0 HD21 ASN A 170 -2.693 -13.223 -7.004 1.00 0.00 H new ATOM 0 HD22 ASN A 170 -3.232 -12.783 -8.628 1.00 0.00 H new ATOM 2471 N GLY A 171 -4.353 -9.430 -6.581 1.00 0.00 N ATOM 2472 CA GLY A 171 -4.358 -8.598 -5.392 1.00 0.00 C ATOM 2473 C GLY A 171 -4.682 -9.383 -4.136 1.00 0.00 C ATOM 2474 O GLY A 171 -5.026 -10.563 -4.205 1.00 0.00 O ATOM 0 H GLY A 171 -3.450 -9.845 -6.810 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -3.383 -8.125 -5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -5.088 -7.798 -5.515 1.00 0.00 H new ATOM 2478 N TYR A 172 -4.570 -8.728 -2.986 1.00 0.00 N ATOM 2479 CA TYR A 172 -4.850 -9.374 -1.709 1.00 0.00 C ATOM 2480 C TYR A 172 -6.146 -8.844 -1.103 1.00 0.00 C ATOM 2481 O TYR A 172 -6.297 -7.642 -0.888 1.00 0.00 O ATOM 2482 CB TYR A 172 -3.690 -9.150 -0.736 1.00 0.00 C ATOM 2483 CG TYR A 172 -3.810 -9.948 0.542 1.00 0.00 C ATOM 2484 CD1 TYR A 172 -3.437 -11.286 0.587 1.00 0.00 C ATOM 2485 CD2 TYR A 172 -4.297 -9.365 1.705 1.00 0.00 C ATOM 2486 CE1 TYR A 172 -3.546 -12.019 1.752 1.00 0.00 C ATOM 2487 CE2 TYR A 172 -4.408 -10.090 2.876 1.00 0.00 C ATOM 2488 CZ TYR A 172 -4.031 -11.417 2.894 1.00 0.00 C ATOM 2489 OH TYR A 172 -4.141 -12.143 4.058 1.00 0.00 O ATOM 0 H TYR A 172 -4.287 -7.751 -2.912 1.00 0.00 H new ATOM 0 HA TYR A 172 -4.965 -10.443 -1.888 1.00 0.00 H new ATOM 0 HB2 TYR A 172 -2.755 -9.412 -1.232 1.00 0.00 H new ATOM 0 HB3 TYR A 172 -3.634 -8.090 -0.489 1.00 0.00 H new ATOM 0 HD1 TYR A 172 -3.055 -11.761 -0.305 1.00 0.00 H new ATOM 0 HD2 TYR A 172 -4.594 -8.327 1.694 1.00 0.00 H new ATOM 0 HE1 TYR A 172 -3.253 -13.058 1.769 1.00 0.00 H new ATOM 0 HE2 TYR A 172 -4.788 -9.621 3.772 1.00 0.00 H new ATOM 0 HH TYR A 172 -4.498 -11.570 4.768 1.00 0.00 H new ATOM 2499 N GLU A 173 -7.078 -9.752 -0.830 1.00 0.00 N ATOM 2500 CA GLU A 173 -8.361 -9.378 -0.249 1.00 0.00 C ATOM 2501 C GLU A 173 -8.310 -9.447 1.275 1.00 0.00 C ATOM 2502 O GLU A 173 -8.202 -10.527 1.854 1.00 0.00 O ATOM 2503 CB GLU A 173 -9.471 -10.291 -0.775 1.00 0.00 C ATOM 2504 CG GLU A 173 -9.817 -10.049 -2.235 1.00 0.00 C ATOM 2505 CD GLU A 173 -8.995 -10.906 -3.179 1.00 0.00 C ATOM 2506 OE1 GLU A 173 -9.354 -12.085 -3.375 1.00 0.00 O ATOM 2507 OE2 GLU A 173 -7.992 -10.395 -3.721 1.00 0.00 O ATOM 0 H GLU A 173 -6.968 -10.751 -1.002 1.00 0.00 H new ATOM 0 HA GLU A 173 -8.577 -8.350 -0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -9.165 -11.330 -0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -10.366 -10.147 -0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -10.876 -10.254 -2.393 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -9.658 -8.997 -2.473 1.00 0.00 H new ATOM 2514 N ASN A 174 -8.388 -8.287 1.917 1.00 0.00 N ATOM 2515 CA ASN A 174 -8.350 -8.215 3.373 1.00 0.00 C ATOM 2516 C ASN A 174 -9.296 -9.239 3.994 1.00 0.00 C ATOM 2517 O ASN A 174 -10.505 -9.224 3.763 1.00 0.00 O ATOM 2518 CB ASN A 174 -8.723 -6.808 3.846 1.00 0.00 C ATOM 2519 CG ASN A 174 -8.130 -6.478 5.202 1.00 0.00 C ATOM 2520 OD1 ASN A 174 -7.127 -7.061 5.613 1.00 0.00 O ATOM 2521 ND2 ASN A 174 -8.751 -5.539 5.906 1.00 0.00 N ATOM 0 H ASN A 174 -8.478 -7.383 1.452 1.00 0.00 H new ATOM 0 HA ASN A 174 -7.334 -8.442 3.696 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -8.377 -6.078 3.114 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -9.808 -6.720 3.896 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -8.399 -5.275 6.826 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -9.580 -5.081 5.526 1.00 0.00 H new