USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 876 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 106 THR OG1 : rot 180:sc= 0.897 USER MOD Set 1.2: A 115 THR OG1 : rot -97:sc= -1.4! USER MOD Set 2.1: A 49 ASN : amide:sc= -2.47 K(o=-10,f=-12!) USER MOD Set 2.2: A 53 GLN : amide:sc= -4.09! C(o=-10!,f=-8.5!) USER MOD Set 2.3: A 65 MET CE :methyl -160:sc= -3.84! (180deg=-4.44!) USER MOD Set 3.1: A 44 TYR OH : rot -38:sc= 1.21 USER MOD Set 3.2: A 114 CYS SG : rot 180:sc= -0.228 USER MOD Set 4.1: A 37 THR OG1 : rot 128:sc= -2.68! USER MOD Set 4.2: A 40 GLN : amide:sc= -0.0674 K(o=-2.8,f=-6!) USER MOD Single : A 15 GLN : amide:sc= -0.598 X(o=-0.6,f=-0.23) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot 43:sc= -5.53! USER MOD Single : A 28 SER OG : rot 180:sc= -1 USER MOD Single : A 30 MET CE :methyl 174:sc= 0 (180deg=-0.0434) USER MOD Single : A 31 ASN : amide:sc= -2.88! C(o=-2.9!,f=-4.1!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0.064) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 68:sc= 0.426 USER MOD Single : A 67 LYS NZ :NH3+ 156:sc= -0.0419 (180deg=-0.277) USER MOD Single : A 75 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.2!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.923! USER MOD Single : A 92 MET CE :methyl -152:sc= -3.68 (180deg=-7.61!) USER MOD Single : A 94 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.005) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.804 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 117 CYS SG : rot -140:sc= -6.42! USER MOD Single : A 121 LYS NZ :NH3+ -107:sc= -1.3 (180deg=-2.56!) USER MOD ----------------------------------------------------------------- ATOM 151 N ASP A 12 1.891 14.534 4.293 1.00 0.00 N ATOM 152 CA ASP A 12 2.254 13.239 4.859 1.00 0.00 C ATOM 153 C ASP A 12 1.431 12.119 4.228 1.00 0.00 C ATOM 154 O ASP A 12 1.900 10.990 4.095 1.00 0.00 O ATOM 155 CB ASP A 12 2.049 13.247 6.375 1.00 0.00 C ATOM 156 CG ASP A 12 3.201 13.904 7.111 1.00 0.00 C ATOM 157 OD1 ASP A 12 4.175 13.195 7.442 1.00 0.00 O ATOM 158 OD2 ASP A 12 3.129 15.126 7.354 1.00 0.00 O ATOM 0 HA ASP A 12 3.307 13.057 4.642 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.124 13.773 6.611 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.933 12.223 6.729 1.00 0.00 H new ATOM 163 N ASP A 13 0.201 12.442 3.841 1.00 0.00 N ATOM 164 CA ASP A 13 -0.686 11.465 3.222 1.00 0.00 C ATOM 165 C ASP A 13 -0.154 11.035 1.859 1.00 0.00 C ATOM 166 O ASP A 13 -0.010 9.843 1.585 1.00 0.00 O ATOM 167 CB ASP A 13 -2.095 12.043 3.074 1.00 0.00 C ATOM 168 CG ASP A 13 -3.164 10.967 3.069 1.00 0.00 C ATOM 169 OD1 ASP A 13 -3.403 10.373 1.997 1.00 0.00 O ATOM 170 OD2 ASP A 13 -3.762 10.720 4.137 1.00 0.00 O ATOM 0 H ASP A 13 -0.203 13.373 3.945 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.728 10.589 3.869 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.287 12.738 3.891 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.155 12.615 2.148 1.00 0.00 H new ATOM 175 N PHE A 14 0.142 12.014 1.009 1.00 0.00 N ATOM 176 CA PHE A 14 0.663 11.737 -0.324 1.00 0.00 C ATOM 177 C PHE A 14 1.973 10.959 -0.241 1.00 0.00 C ATOM 178 O PHE A 14 2.317 10.205 -1.151 1.00 0.00 O ATOM 179 CB PHE A 14 0.875 13.041 -1.094 1.00 0.00 C ATOM 180 CG PHE A 14 -0.404 13.670 -1.569 1.00 0.00 C ATOM 181 CD1 PHE A 14 -1.124 13.107 -2.610 1.00 0.00 C ATOM 182 CD2 PHE A 14 -0.886 14.825 -0.973 1.00 0.00 C ATOM 183 CE1 PHE A 14 -2.301 13.684 -3.048 1.00 0.00 C ATOM 184 CE2 PHE A 14 -2.063 15.405 -1.406 1.00 0.00 C ATOM 185 CZ PHE A 14 -2.771 14.834 -2.446 1.00 0.00 C ATOM 0 H PHE A 14 0.030 13.006 1.220 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.068 11.128 -0.856 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.404 13.749 -0.456 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.516 12.846 -1.954 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.762 12.207 -3.085 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.335 15.277 -0.161 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.853 13.235 -3.861 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.429 16.304 -0.932 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.690 15.286 -2.787 1.00 0.00 H new ATOM 195 N GLN A 15 2.693 11.135 0.864 1.00 0.00 N ATOM 196 CA GLN A 15 3.952 10.436 1.067 1.00 0.00 C ATOM 197 C GLN A 15 3.681 8.973 1.378 1.00 0.00 C ATOM 198 O GLN A 15 4.448 8.088 0.995 1.00 0.00 O ATOM 199 CB GLN A 15 4.745 11.079 2.207 1.00 0.00 C ATOM 200 CG GLN A 15 6.176 10.579 2.309 1.00 0.00 C ATOM 201 CD GLN A 15 6.960 10.795 1.030 1.00 0.00 C ATOM 202 OE1 GLN A 15 7.456 11.891 0.769 1.00 0.00 O ATOM 203 NE2 GLN A 15 7.076 9.747 0.223 1.00 0.00 N ATOM 0 H GLN A 15 2.424 11.754 1.629 1.00 0.00 H new ATOM 0 HA GLN A 15 4.544 10.505 0.155 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.756 12.160 2.067 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.233 10.885 3.149 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.678 11.091 3.130 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.170 9.516 2.552 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.649 8.857 0.479 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.592 9.832 -0.653 1.00 0.00 H new ATOM 212 N PHE A 16 2.569 8.726 2.064 1.00 0.00 N ATOM 213 CA PHE A 16 2.182 7.372 2.415 1.00 0.00 C ATOM 214 C PHE A 16 1.914 6.561 1.154 1.00 0.00 C ATOM 215 O PHE A 16 2.233 5.374 1.085 1.00 0.00 O ATOM 216 CB PHE A 16 0.938 7.384 3.309 1.00 0.00 C ATOM 217 CG PHE A 16 0.395 6.013 3.602 1.00 0.00 C ATOM 218 CD1 PHE A 16 1.066 5.157 4.460 1.00 0.00 C ATOM 219 CD2 PHE A 16 -0.783 5.581 3.015 1.00 0.00 C ATOM 220 CE1 PHE A 16 0.572 3.894 4.727 1.00 0.00 C ATOM 221 CE2 PHE A 16 -1.282 4.320 3.277 1.00 0.00 C ATOM 222 CZ PHE A 16 -0.604 3.475 4.135 1.00 0.00 C ATOM 0 H PHE A 16 1.924 9.448 2.385 1.00 0.00 H new ATOM 0 HA PHE A 16 3.000 6.909 2.967 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.181 7.878 4.250 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.161 7.978 2.828 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.985 5.480 4.925 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.317 6.238 2.345 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.104 3.236 5.397 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.201 3.995 2.812 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.993 2.489 4.342 1.00 0.00 H new ATOM 232 N LEU A 17 1.334 7.216 0.151 1.00 0.00 N ATOM 233 CA LEU A 17 1.033 6.558 -1.113 1.00 0.00 C ATOM 234 C LEU A 17 2.317 6.088 -1.780 1.00 0.00 C ATOM 235 O LEU A 17 2.380 4.991 -2.331 1.00 0.00 O ATOM 236 CB LEU A 17 0.263 7.500 -2.039 1.00 0.00 C ATOM 237 CG LEU A 17 -1.232 7.197 -2.160 1.00 0.00 C ATOM 238 CD1 LEU A 17 -2.061 8.397 -1.725 1.00 0.00 C ATOM 239 CD2 LEU A 17 -1.584 6.791 -3.584 1.00 0.00 C ATOM 0 H LEU A 17 1.065 8.199 0.191 1.00 0.00 H new ATOM 0 HA LEU A 17 0.407 5.689 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.385 8.521 -1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.710 7.457 -3.032 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.465 6.363 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.121 8.160 -1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.834 8.639 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.823 9.252 -2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.651 6.580 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.333 7.603 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.020 5.899 -3.858 1.00 0.00 H new ATOM 251 N SER A 18 3.355 6.915 -1.712 1.00 0.00 N ATOM 252 CA SER A 18 4.638 6.552 -2.293 1.00 0.00 C ATOM 253 C SER A 18 5.092 5.213 -1.723 1.00 0.00 C ATOM 254 O SER A 18 5.722 4.409 -2.409 1.00 0.00 O ATOM 255 CB SER A 18 5.683 7.631 -2.004 1.00 0.00 C ATOM 256 OG SER A 18 5.399 8.821 -2.718 1.00 0.00 O ATOM 0 H SER A 18 3.332 7.831 -1.265 1.00 0.00 H new ATOM 0 HA SER A 18 4.527 6.466 -3.374 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.706 7.842 -0.935 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.673 7.266 -2.279 1.00 0.00 H new ATOM 0 HG SER A 18 6.081 9.495 -2.515 1.00 0.00 H new ATOM 262 N ASP A 19 4.747 4.984 -0.458 1.00 0.00 N ATOM 263 CA ASP A 19 5.094 3.747 0.226 1.00 0.00 C ATOM 264 C ASP A 19 4.171 2.605 -0.197 1.00 0.00 C ATOM 265 O ASP A 19 4.635 1.502 -0.487 1.00 0.00 O ATOM 266 CB ASP A 19 5.024 3.939 1.742 1.00 0.00 C ATOM 267 CG ASP A 19 6.110 4.862 2.259 1.00 0.00 C ATOM 268 OD1 ASP A 19 5.987 6.090 2.066 1.00 0.00 O ATOM 269 OD2 ASP A 19 7.084 4.356 2.855 1.00 0.00 O ATOM 0 H ASP A 19 4.224 5.646 0.115 1.00 0.00 H new ATOM 0 HA ASP A 19 6.114 3.485 -0.055 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.048 4.345 2.009 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.111 2.970 2.233 1.00 0.00 H new ATOM 274 N VAL A 20 2.862 2.866 -0.227 1.00 0.00 N ATOM 275 CA VAL A 20 1.899 1.839 -0.611 1.00 0.00 C ATOM 276 C VAL A 20 2.188 1.328 -2.016 1.00 0.00 C ATOM 277 O VAL A 20 2.217 0.120 -2.255 1.00 0.00 O ATOM 278 CB VAL A 20 0.438 2.336 -0.509 1.00 0.00 C ATOM 279 CG1 VAL A 20 0.247 3.130 0.771 1.00 0.00 C ATOM 280 CG2 VAL A 20 0.036 3.164 -1.722 1.00 0.00 C ATOM 0 H VAL A 20 2.451 3.770 0.008 1.00 0.00 H new ATOM 0 HA VAL A 20 2.012 1.017 0.096 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.213 1.462 -0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.785 3.476 0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.470 2.496 1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.918 3.989 0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.997 3.494 -1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.688 4.034 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.129 2.558 -2.623 1.00 0.00 H new ATOM 290 N LEU A 21 2.426 2.254 -2.937 1.00 0.00 N ATOM 291 CA LEU A 21 2.742 1.889 -4.309 1.00 0.00 C ATOM 292 C LEU A 21 4.095 1.183 -4.360 1.00 0.00 C ATOM 293 O LEU A 21 4.410 0.489 -5.326 1.00 0.00 O ATOM 294 CB LEU A 21 2.762 3.132 -5.201 1.00 0.00 C ATOM 295 CG LEU A 21 1.443 3.906 -5.263 1.00 0.00 C ATOM 296 CD1 LEU A 21 1.650 5.262 -5.919 1.00 0.00 C ATOM 297 CD2 LEU A 21 0.391 3.102 -6.013 1.00 0.00 C ATOM 0 H LEU A 21 2.406 3.258 -2.758 1.00 0.00 H new ATOM 0 HA LEU A 21 1.973 1.211 -4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.543 3.803 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.037 2.831 -6.212 1.00 0.00 H new ATOM 0 HG LEU A 21 1.090 4.070 -4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.701 5.798 -5.954 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.372 5.839 -5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.026 5.122 -6.933 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.541 3.666 -6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.737 2.908 -7.028 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.223 2.155 -5.500 1.00 0.00 H new ATOM 309 N ASP A 22 4.887 1.364 -3.303 1.00 0.00 N ATOM 310 CA ASP A 22 6.202 0.746 -3.212 1.00 0.00 C ATOM 311 C ASP A 22 6.091 -0.687 -2.703 1.00 0.00 C ATOM 312 O ASP A 22 6.925 -1.534 -3.024 1.00 0.00 O ATOM 313 CB ASP A 22 7.109 1.560 -2.287 1.00 0.00 C ATOM 314 CG ASP A 22 8.564 1.147 -2.389 1.00 0.00 C ATOM 315 OD1 ASP A 22 8.835 0.058 -2.940 1.00 0.00 O ATOM 316 OD2 ASP A 22 9.433 1.910 -1.919 1.00 0.00 O ATOM 0 H ASP A 22 4.636 1.936 -2.497 1.00 0.00 H new ATOM 0 HA ASP A 22 6.639 0.727 -4.210 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.017 2.618 -2.532 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.772 1.441 -1.257 1.00 0.00 H new ATOM 321 N CYS A 23 5.056 -0.956 -1.903 1.00 0.00 N ATOM 322 CA CYS A 23 4.840 -2.292 -1.350 1.00 0.00 C ATOM 323 C CYS A 23 4.996 -3.368 -2.422 1.00 0.00 C ATOM 324 O CYS A 23 5.094 -3.065 -3.611 1.00 0.00 O ATOM 325 CB CYS A 23 3.451 -2.389 -0.722 1.00 0.00 C ATOM 326 SG CYS A 23 3.180 -1.235 0.639 1.00 0.00 S ATOM 0 H CYS A 23 4.357 -0.267 -1.625 1.00 0.00 H new ATOM 0 HA CYS A 23 5.596 -2.459 -0.583 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.701 -2.209 -1.493 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.297 -3.405 -0.359 1.00 0.00 H new ATOM 0 HG CYS A 23 3.671 -0.073 0.327 1.00 0.00 H new ATOM 332 N ARG A 24 5.022 -4.623 -1.991 1.00 0.00 N ATOM 333 CA ARG A 24 5.174 -5.740 -2.915 1.00 0.00 C ATOM 334 C ARG A 24 3.834 -6.415 -3.191 1.00 0.00 C ATOM 335 O ARG A 24 3.450 -6.602 -4.346 1.00 0.00 O ATOM 336 CB ARG A 24 6.170 -6.757 -2.356 1.00 0.00 C ATOM 337 CG ARG A 24 7.578 -6.594 -2.907 1.00 0.00 C ATOM 338 CD ARG A 24 8.109 -5.186 -2.688 1.00 0.00 C ATOM 339 NE ARG A 24 8.821 -4.681 -3.859 1.00 0.00 N ATOM 340 CZ ARG A 24 9.688 -3.672 -3.823 1.00 0.00 C ATOM 341 NH1 ARG A 24 9.948 -3.052 -2.677 1.00 0.00 N ATOM 342 NH2 ARG A 24 10.296 -3.280 -4.934 1.00 0.00 N ATOM 0 H ARG A 24 4.940 -4.892 -1.011 1.00 0.00 H new ATOM 0 HA ARG A 24 5.556 -5.347 -3.857 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.200 -6.665 -1.270 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.815 -7.763 -2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.242 -7.312 -2.426 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.580 -6.822 -3.973 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.280 -4.519 -2.452 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.778 -5.181 -1.827 1.00 0.00 H new ATOM 0 HE ARG A 24 8.643 -5.128 -4.758 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.482 -3.349 -1.819 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.613 -2.279 -2.655 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.099 -3.752 -5.817 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.960 -2.507 -4.906 1.00 0.00 H new ATOM 356 N ALA A 25 3.128 -6.783 -2.128 1.00 0.00 N ATOM 357 CA ALA A 25 1.835 -7.441 -2.264 1.00 0.00 C ATOM 358 C ALA A 25 0.715 -6.587 -1.681 1.00 0.00 C ATOM 359 O ALA A 25 0.878 -5.960 -0.634 1.00 0.00 O ATOM 360 CB ALA A 25 1.864 -8.804 -1.590 1.00 0.00 C ATOM 0 H ALA A 25 3.429 -6.637 -1.164 1.00 0.00 H new ATOM 0 HA ALA A 25 1.636 -7.575 -3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.892 -9.285 -1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.630 -9.424 -2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.091 -8.681 -0.531 1.00 0.00 H new ATOM 366 N VAL A 26 -0.424 -6.571 -2.366 1.00 0.00 N ATOM 367 CA VAL A 26 -1.576 -5.800 -1.919 1.00 0.00 C ATOM 368 C VAL A 26 -2.757 -6.714 -1.614 1.00 0.00 C ATOM 369 O VAL A 26 -3.384 -7.259 -2.523 1.00 0.00 O ATOM 370 CB VAL A 26 -2.003 -4.762 -2.975 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.076 -3.842 -2.416 1.00 0.00 C ATOM 372 CG2 VAL A 26 -0.802 -3.963 -3.455 1.00 0.00 C ATOM 0 H VAL A 26 -0.573 -7.085 -3.234 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.277 -5.278 -1.010 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.422 -5.292 -3.830 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.365 -3.116 -3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.946 -4.431 -2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.687 -3.318 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.123 -3.235 -4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.350 -3.442 -2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.070 -4.638 -3.899 1.00 0.00 H new ATOM 382 N ARG A 27 -3.056 -6.880 -0.330 1.00 0.00 N ATOM 383 CA ARG A 27 -4.162 -7.731 0.092 1.00 0.00 C ATOM 384 C ARG A 27 -4.987 -7.049 1.177 1.00 0.00 C ATOM 385 O ARG A 27 -4.634 -5.970 1.651 1.00 0.00 O ATOM 386 CB ARG A 27 -3.632 -9.073 0.601 1.00 0.00 C ATOM 387 CG ARG A 27 -3.669 -10.177 -0.444 1.00 0.00 C ATOM 388 CD ARG A 27 -5.095 -10.511 -0.850 1.00 0.00 C ATOM 389 NE ARG A 27 -5.217 -10.734 -2.288 1.00 0.00 N ATOM 390 CZ ARG A 27 -4.848 -11.858 -2.898 1.00 0.00 C ATOM 391 NH1 ARG A 27 -4.334 -12.863 -2.199 1.00 0.00 N ATOM 392 NH2 ARG A 27 -4.992 -11.979 -4.211 1.00 0.00 N ATOM 0 H ARG A 27 -2.548 -6.437 0.436 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.806 -7.907 -0.770 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.606 -8.943 0.944 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.220 -9.382 1.465 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.102 -9.867 -1.322 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.183 -11.069 -0.050 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.425 -11.402 -0.316 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.757 -9.698 -0.552 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.608 -9.984 -2.859 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.220 -12.776 -1.189 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.053 -13.722 -2.672 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.386 -11.210 -4.754 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.709 -12.841 -4.678 1.00 0.00 H new ATOM 406 N SER A 28 -6.087 -7.684 1.565 1.00 0.00 N ATOM 407 CA SER A 28 -6.963 -7.139 2.596 1.00 0.00 C ATOM 408 C SER A 28 -6.941 -8.009 3.846 1.00 0.00 C ATOM 409 O SER A 28 -6.740 -9.220 3.766 1.00 0.00 O ATOM 410 CB SER A 28 -8.394 -7.021 2.069 1.00 0.00 C ATOM 411 OG SER A 28 -9.146 -6.097 2.835 1.00 0.00 O ATOM 0 H SER A 28 -6.394 -8.578 1.181 1.00 0.00 H new ATOM 0 HA SER A 28 -6.597 -6.147 2.860 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.376 -6.704 1.026 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.876 -7.998 2.096 1.00 0.00 H new ATOM 0 HG SER A 28 -10.056 -6.039 2.476 1.00 0.00 H new ATOM 417 N ALA A 29 -7.150 -7.386 5.000 1.00 0.00 N ATOM 418 CA ALA A 29 -7.156 -8.111 6.264 1.00 0.00 C ATOM 419 C ALA A 29 -8.320 -9.091 6.315 1.00 0.00 C ATOM 420 O ALA A 29 -8.147 -10.260 6.659 1.00 0.00 O ATOM 421 CB ALA A 29 -7.225 -7.144 7.436 1.00 0.00 C ATOM 0 H ALA A 29 -7.317 -6.383 5.086 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.227 -8.676 6.337 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.229 -7.705 8.371 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.359 -6.482 7.413 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.137 -6.551 7.365 1.00 0.00 H new ATOM 427 N MET A 30 -9.508 -8.606 5.964 1.00 0.00 N ATOM 428 CA MET A 30 -10.704 -9.444 5.960 1.00 0.00 C ATOM 429 C MET A 30 -10.481 -10.703 5.125 1.00 0.00 C ATOM 430 O MET A 30 -11.102 -11.738 5.365 1.00 0.00 O ATOM 431 CB MET A 30 -11.899 -8.660 5.415 1.00 0.00 C ATOM 432 CG MET A 30 -12.114 -7.321 6.102 1.00 0.00 C ATOM 433 SD MET A 30 -13.597 -7.291 7.127 1.00 0.00 S ATOM 434 CE MET A 30 -13.194 -8.544 8.343 1.00 0.00 C ATOM 0 H MET A 30 -9.668 -7.640 5.679 1.00 0.00 H new ATOM 0 HA MET A 30 -10.914 -9.743 6.987 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.756 -8.492 4.347 1.00 0.00 H new ATOM 0 HB3 MET A 30 -12.800 -9.264 5.525 1.00 0.00 H new ATOM 0 HG2 MET A 30 -11.246 -7.092 6.720 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.184 -6.538 5.347 1.00 0.00 H new ATOM 0 HE1 MET A 30 -13.968 -8.568 9.110 1.00 0.00 H new ATOM 0 HE2 MET A 30 -13.135 -9.518 7.856 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.234 -8.309 8.803 1.00 0.00 H new ATOM 444 N ASN A 31 -9.587 -10.604 4.146 1.00 0.00 N ATOM 445 CA ASN A 31 -9.271 -11.729 3.274 1.00 0.00 C ATOM 446 C ASN A 31 -7.906 -11.533 2.618 1.00 0.00 C ATOM 447 O ASN A 31 -7.815 -11.195 1.439 1.00 0.00 O ATOM 448 CB ASN A 31 -10.350 -11.889 2.200 1.00 0.00 C ATOM 449 CG ASN A 31 -10.476 -13.322 1.717 1.00 0.00 C ATOM 450 OD1 ASN A 31 -10.411 -13.592 0.518 1.00 0.00 O ATOM 451 ND2 ASN A 31 -10.658 -14.247 2.651 1.00 0.00 N ATOM 0 H ASN A 31 -9.067 -9.752 3.937 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.239 -12.634 3.881 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.308 -11.557 2.599 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.116 -11.242 1.354 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.750 -15.228 2.386 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.706 -13.977 3.634 1.00 0.00 H new ATOM 458 N LEU A 32 -6.850 -11.740 3.397 1.00 0.00 N ATOM 459 CA LEU A 32 -5.488 -11.578 2.899 1.00 0.00 C ATOM 460 C LEU A 32 -5.069 -12.755 2.021 1.00 0.00 C ATOM 461 O LEU A 32 -4.108 -12.656 1.257 1.00 0.00 O ATOM 462 CB LEU A 32 -4.511 -11.427 4.068 1.00 0.00 C ATOM 463 CG LEU A 32 -3.371 -10.434 3.836 1.00 0.00 C ATOM 464 CD1 LEU A 32 -3.775 -9.040 4.291 1.00 0.00 C ATOM 465 CD2 LEU A 32 -2.113 -10.887 4.560 1.00 0.00 C ATOM 0 H LEU A 32 -6.910 -12.020 4.376 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.464 -10.675 2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.070 -11.115 4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.082 -12.404 4.291 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.159 -10.399 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.951 -8.348 4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.649 -8.712 3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.015 -9.060 5.354 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.313 -10.168 4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.312 -10.953 5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.811 -11.865 4.187 1.00 0.00 H new ATOM 477 N ARG A 33 -5.789 -13.867 2.132 1.00 0.00 N ATOM 478 CA ARG A 33 -5.479 -15.058 1.346 1.00 0.00 C ATOM 479 C ARG A 33 -6.206 -15.047 0.000 1.00 0.00 C ATOM 480 O ARG A 33 -6.248 -16.062 -0.694 1.00 0.00 O ATOM 481 CB ARG A 33 -5.850 -16.318 2.130 1.00 0.00 C ATOM 482 CG ARG A 33 -4.772 -17.390 2.100 1.00 0.00 C ATOM 483 CD ARG A 33 -3.526 -16.948 2.850 1.00 0.00 C ATOM 484 NE ARG A 33 -2.384 -17.815 2.573 1.00 0.00 N ATOM 485 CZ ARG A 33 -2.200 -19.004 3.143 1.00 0.00 C ATOM 486 NH1 ARG A 33 -3.081 -19.471 4.020 1.00 0.00 N ATOM 487 NH2 ARG A 33 -1.134 -19.729 2.834 1.00 0.00 N ATOM 0 H ARG A 33 -6.589 -13.969 2.756 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.407 -15.057 1.149 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.052 -16.046 3.166 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.773 -16.731 1.723 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.158 -18.308 2.543 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.514 -17.619 1.066 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.279 -15.924 2.571 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.729 -16.947 3.921 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.686 -17.491 1.903 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.904 -18.918 4.260 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.935 -20.383 4.454 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -0.455 -19.376 2.160 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.993 -20.640 3.271 1.00 0.00 H new ATOM 501 N ALA A 34 -6.776 -13.900 -0.367 1.00 0.00 N ATOM 502 CA ALA A 34 -7.493 -13.778 -1.631 1.00 0.00 C ATOM 503 C ALA A 34 -8.012 -12.358 -1.836 1.00 0.00 C ATOM 504 O ALA A 34 -8.484 -11.718 -0.897 1.00 0.00 O ATOM 505 CB ALA A 34 -8.643 -14.773 -1.687 1.00 0.00 C ATOM 0 H ALA A 34 -6.754 -13.047 0.192 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.793 -14.002 -2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -9.168 -14.669 -2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.252 -15.786 -1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.334 -14.577 -0.867 1.00 0.00 H new ATOM 511 N ALA A 35 -7.925 -11.874 -3.072 1.00 0.00 N ATOM 512 CA ALA A 35 -8.388 -10.531 -3.401 1.00 0.00 C ATOM 513 C ALA A 35 -9.907 -10.437 -3.298 1.00 0.00 C ATOM 514 O ALA A 35 -10.580 -11.429 -3.017 1.00 0.00 O ATOM 515 CB ALA A 35 -7.926 -10.140 -4.797 1.00 0.00 C ATOM 0 H ALA A 35 -7.538 -12.392 -3.861 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.956 -9.836 -2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.279 -9.135 -5.029 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.837 -10.161 -4.839 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.331 -10.844 -5.525 1.00 0.00 H new ATOM 521 N LEU A 36 -10.444 -9.242 -3.527 1.00 0.00 N ATOM 522 CA LEU A 36 -11.884 -9.031 -3.454 1.00 0.00 C ATOM 523 C LEU A 36 -12.538 -9.249 -4.814 1.00 0.00 C ATOM 524 O LEU A 36 -13.306 -10.192 -5.003 1.00 0.00 O ATOM 525 CB LEU A 36 -12.185 -7.617 -2.955 1.00 0.00 C ATOM 526 CG LEU A 36 -11.666 -7.303 -1.551 1.00 0.00 C ATOM 527 CD1 LEU A 36 -10.256 -6.737 -1.617 1.00 0.00 C ATOM 528 CD2 LEU A 36 -12.599 -6.332 -0.843 1.00 0.00 C ATOM 0 H LEU A 36 -9.905 -8.409 -3.764 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.297 -9.756 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.753 -6.901 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.264 -7.465 -2.970 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.637 -8.231 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.904 -6.520 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.593 -7.465 -2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.259 -5.820 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.214 -6.120 0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.660 -5.405 -1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.592 -6.775 -0.762 1.00 0.00 H new ATOM 540 N THR A 37 -12.221 -8.373 -5.758 1.00 0.00 N ATOM 541 CA THR A 37 -12.769 -8.463 -7.107 1.00 0.00 C ATOM 542 C THR A 37 -12.090 -7.460 -8.033 1.00 0.00 C ATOM 543 O THR A 37 -11.495 -6.485 -7.575 1.00 0.00 O ATOM 544 CB THR A 37 -14.284 -8.216 -7.098 1.00 0.00 C ATOM 545 OG1 THR A 37 -14.783 -8.148 -5.772 1.00 0.00 O ATOM 546 CG2 THR A 37 -15.068 -9.284 -7.832 1.00 0.00 C ATOM 0 H THR A 37 -11.585 -7.589 -5.615 1.00 0.00 H new ATOM 0 HA THR A 37 -12.579 -9.471 -7.477 1.00 0.00 H new ATOM 0 HB THR A 37 -14.421 -7.266 -7.614 1.00 0.00 H new ATOM 0 HG1 THR A 37 -15.308 -7.328 -5.662 1.00 0.00 H new ATOM 0 HG21 THR A 37 -16.132 -9.050 -7.788 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.747 -9.320 -8.873 1.00 0.00 H new ATOM 0 HG23 THR A 37 -14.890 -10.252 -7.364 1.00 0.00 H new ATOM 554 N SER A 38 -12.188 -7.701 -9.337 1.00 0.00 N ATOM 555 CA SER A 38 -11.586 -6.810 -10.323 1.00 0.00 C ATOM 556 C SER A 38 -12.094 -5.384 -10.133 1.00 0.00 C ATOM 557 O SER A 38 -11.316 -4.430 -10.135 1.00 0.00 O ATOM 558 CB SER A 38 -11.898 -7.295 -11.740 1.00 0.00 C ATOM 559 OG SER A 38 -10.756 -7.203 -12.574 1.00 0.00 O ATOM 0 H SER A 38 -12.677 -8.503 -9.734 1.00 0.00 H new ATOM 0 HA SER A 38 -10.505 -6.818 -10.180 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.245 -8.328 -11.706 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.708 -6.700 -12.161 1.00 0.00 H new ATOM 0 HG SER A 38 -10.981 -7.520 -13.473 1.00 0.00 H new ATOM 565 N PHE A 39 -13.405 -5.253 -9.961 1.00 0.00 N ATOM 566 CA PHE A 39 -14.024 -3.950 -9.759 1.00 0.00 C ATOM 567 C PHE A 39 -13.756 -3.443 -8.345 1.00 0.00 C ATOM 568 O PHE A 39 -13.598 -2.243 -8.122 1.00 0.00 O ATOM 569 CB PHE A 39 -15.532 -4.035 -10.008 1.00 0.00 C ATOM 570 CG PHE A 39 -16.068 -2.906 -10.842 1.00 0.00 C ATOM 571 CD1 PHE A 39 -16.026 -2.968 -12.225 1.00 0.00 C ATOM 572 CD2 PHE A 39 -16.614 -1.782 -10.241 1.00 0.00 C ATOM 573 CE1 PHE A 39 -16.520 -1.932 -12.994 1.00 0.00 C ATOM 574 CE2 PHE A 39 -17.109 -0.743 -11.005 1.00 0.00 C ATOM 575 CZ PHE A 39 -17.062 -0.818 -12.383 1.00 0.00 C ATOM 0 H PHE A 39 -14.060 -6.035 -9.958 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.587 -3.248 -10.469 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -15.758 -4.980 -10.502 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -16.050 -4.045 -9.049 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -15.602 -3.836 -12.708 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -16.653 -1.718 -9.164 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -16.482 -1.993 -14.072 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -17.532 0.127 -10.525 1.00 0.00 H new ATOM 0 HZ PHE A 39 -17.448 -0.007 -12.982 1.00 0.00 H new ATOM 585 N GLN A 40 -13.706 -4.370 -7.392 1.00 0.00 N ATOM 586 CA GLN A 40 -13.459 -4.025 -5.996 1.00 0.00 C ATOM 587 C GLN A 40 -12.125 -3.302 -5.839 1.00 0.00 C ATOM 588 O GLN A 40 -12.071 -2.182 -5.331 1.00 0.00 O ATOM 589 CB GLN A 40 -13.475 -5.281 -5.125 1.00 0.00 C ATOM 590 CG GLN A 40 -14.131 -5.072 -3.770 1.00 0.00 C ATOM 591 CD GLN A 40 -15.498 -5.721 -3.676 1.00 0.00 C ATOM 592 OE1 GLN A 40 -15.626 -6.942 -3.774 1.00 0.00 O ATOM 593 NE2 GLN A 40 -16.529 -4.907 -3.484 1.00 0.00 N ATOM 0 H GLN A 40 -13.834 -5.368 -7.562 1.00 0.00 H new ATOM 0 HA GLN A 40 -14.255 -3.356 -5.670 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -14.001 -6.075 -5.656 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.451 -5.622 -4.975 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.486 -5.479 -2.992 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.227 -4.003 -3.578 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.377 -3.901 -3.408 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.473 -5.287 -3.412 1.00 0.00 H new ATOM 602 N VAL A 41 -11.050 -3.948 -6.278 1.00 0.00 N ATOM 603 CA VAL A 41 -9.717 -3.364 -6.185 1.00 0.00 C ATOM 604 C VAL A 41 -9.666 -2.002 -6.872 1.00 0.00 C ATOM 605 O VAL A 41 -8.967 -1.094 -6.422 1.00 0.00 O ATOM 606 CB VAL A 41 -8.654 -4.286 -6.811 1.00 0.00 C ATOM 607 CG1 VAL A 41 -7.256 -3.732 -6.577 1.00 0.00 C ATOM 608 CG2 VAL A 41 -8.774 -5.696 -6.254 1.00 0.00 C ATOM 0 H VAL A 41 -11.076 -4.876 -6.701 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.498 -3.241 -5.124 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.828 -4.327 -7.886 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.520 -4.399 -7.027 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.176 -2.744 -7.030 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.069 -3.656 -5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.015 -6.333 -6.708 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.630 -5.674 -5.174 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.763 -6.094 -6.480 1.00 0.00 H new ATOM 618 N ALA A 42 -10.417 -1.865 -7.960 1.00 0.00 N ATOM 619 CA ALA A 42 -10.461 -0.612 -8.704 1.00 0.00 C ATOM 620 C ALA A 42 -11.081 0.498 -7.862 1.00 0.00 C ATOM 621 O ALA A 42 -10.641 1.646 -7.911 1.00 0.00 O ATOM 622 CB ALA A 42 -11.235 -0.793 -10.001 1.00 0.00 C ATOM 0 H ALA A 42 -11.003 -2.606 -8.346 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.438 -0.323 -8.946 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.259 0.151 -10.545 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.747 -1.552 -10.613 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.254 -1.108 -9.776 1.00 0.00 H new ATOM 628 N GLN A 43 -12.103 0.146 -7.085 1.00 0.00 N ATOM 629 CA GLN A 43 -12.777 1.113 -6.227 1.00 0.00 C ATOM 630 C GLN A 43 -11.780 1.766 -5.278 1.00 0.00 C ATOM 631 O GLN A 43 -11.778 2.984 -5.104 1.00 0.00 O ATOM 632 CB GLN A 43 -13.892 0.433 -5.430 1.00 0.00 C ATOM 633 CG GLN A 43 -15.140 0.149 -6.251 1.00 0.00 C ATOM 634 CD GLN A 43 -16.187 -0.624 -5.474 1.00 0.00 C ATOM 635 OE1 GLN A 43 -15.873 -1.315 -4.505 1.00 0.00 O ATOM 636 NE2 GLN A 43 -17.441 -0.513 -5.900 1.00 0.00 N ATOM 0 H GLN A 43 -12.481 -0.800 -7.033 1.00 0.00 H new ATOM 0 HA GLN A 43 -13.218 1.885 -6.858 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.515 -0.504 -5.021 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.160 1.065 -4.584 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -15.568 1.092 -6.592 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.864 -0.416 -7.141 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -17.655 0.071 -6.708 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -18.189 -1.012 -5.419 1.00 0.00 H new ATOM 645 N TYR A 44 -10.926 0.944 -4.678 1.00 0.00 N ATOM 646 CA TYR A 44 -9.909 1.431 -3.754 1.00 0.00 C ATOM 647 C TYR A 44 -8.854 2.239 -4.501 1.00 0.00 C ATOM 648 O TYR A 44 -8.366 3.257 -4.006 1.00 0.00 O ATOM 649 CB TYR A 44 -9.254 0.252 -3.030 1.00 0.00 C ATOM 650 CG TYR A 44 -8.428 0.651 -1.828 1.00 0.00 C ATOM 651 CD1 TYR A 44 -7.099 1.032 -1.968 1.00 0.00 C ATOM 652 CD2 TYR A 44 -8.976 0.640 -0.551 1.00 0.00 C ATOM 653 CE1 TYR A 44 -6.340 1.390 -0.870 1.00 0.00 C ATOM 654 CE2 TYR A 44 -8.225 0.998 0.551 1.00 0.00 C ATOM 655 CZ TYR A 44 -6.908 1.372 0.386 1.00 0.00 C ATOM 656 OH TYR A 44 -6.155 1.729 1.482 1.00 0.00 O ATOM 0 H TYR A 44 -10.918 -0.067 -4.816 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.386 2.079 -3.019 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.031 -0.442 -2.710 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -8.618 -0.285 -3.733 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.652 1.049 -2.951 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -10.007 0.346 -0.418 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.308 1.682 -0.995 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.667 0.985 1.537 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.241 1.394 1.374 1.00 0.00 H new ATOM 666 N ARG A 45 -8.510 1.777 -5.700 1.00 0.00 N ATOM 667 CA ARG A 45 -7.516 2.450 -6.526 1.00 0.00 C ATOM 668 C ARG A 45 -7.975 3.857 -6.893 1.00 0.00 C ATOM 669 O ARG A 45 -7.161 4.769 -7.039 1.00 0.00 O ATOM 670 CB ARG A 45 -7.247 1.641 -7.797 1.00 0.00 C ATOM 671 CG ARG A 45 -6.398 0.402 -7.563 1.00 0.00 C ATOM 672 CD ARG A 45 -6.080 -0.309 -8.867 1.00 0.00 C ATOM 673 NE ARG A 45 -7.017 -1.398 -9.142 1.00 0.00 N ATOM 674 CZ ARG A 45 -6.827 -2.320 -10.082 1.00 0.00 C ATOM 675 NH1 ARG A 45 -5.736 -2.292 -10.839 1.00 0.00 N ATOM 676 NH2 ARG A 45 -7.729 -3.274 -10.267 1.00 0.00 N ATOM 0 H ARG A 45 -8.907 0.937 -6.121 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.594 2.527 -5.950 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.199 1.341 -8.235 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.748 2.280 -8.526 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.470 0.684 -7.065 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.924 -0.280 -6.894 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.108 0.409 -9.687 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.066 -0.706 -8.825 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.866 -1.454 -8.580 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.038 -1.561 -10.701 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.596 -3.002 -11.558 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.569 -3.301 -9.689 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.583 -3.981 -10.988 1.00 0.00 H new ATOM 690 N ASN A 46 -9.285 4.025 -7.044 1.00 0.00 N ATOM 691 CA ASN A 46 -9.854 5.321 -7.395 1.00 0.00 C ATOM 692 C ASN A 46 -9.811 6.279 -6.208 1.00 0.00 C ATOM 693 O ASN A 46 -9.761 7.495 -6.383 1.00 0.00 O ATOM 694 CB ASN A 46 -11.297 5.152 -7.877 1.00 0.00 C ATOM 695 CG ASN A 46 -11.606 6.014 -9.086 1.00 0.00 C ATOM 696 OD1 ASN A 46 -11.441 7.232 -9.052 1.00 0.00 O ATOM 697 ND2 ASN A 46 -12.058 5.380 -10.162 1.00 0.00 N ATOM 0 H ASN A 46 -9.972 3.280 -6.929 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.254 5.746 -8.200 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.474 4.106 -8.125 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.980 5.408 -7.067 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.284 5.906 -11.006 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.179 4.367 -10.144 1.00 0.00 H new ATOM 704 N ILE A 47 -9.830 5.723 -5.001 1.00 0.00 N ATOM 705 CA ILE A 47 -9.792 6.531 -3.788 1.00 0.00 C ATOM 706 C ILE A 47 -8.493 7.324 -3.700 1.00 0.00 C ATOM 707 O ILE A 47 -8.507 8.556 -3.679 1.00 0.00 O ATOM 708 CB ILE A 47 -9.939 5.664 -2.522 1.00 0.00 C ATOM 709 CG1 ILE A 47 -11.077 4.655 -2.698 1.00 0.00 C ATOM 710 CG2 ILE A 47 -10.180 6.545 -1.304 1.00 0.00 C ATOM 711 CD1 ILE A 47 -11.389 3.857 -1.450 1.00 0.00 C ATOM 0 H ILE A 47 -9.871 4.717 -4.837 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.635 7.219 -3.842 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.013 5.110 -2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.975 5.187 -3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.818 3.966 -3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.282 5.920 -0.417 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.338 7.224 -1.174 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.093 7.123 -1.448 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.206 3.165 -1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.505 3.296 -1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.681 4.535 -0.648 1.00 0.00 H new ATOM 723 N LEU A 48 -7.372 6.614 -3.655 1.00 0.00 N ATOM 724 CA LEU A 48 -6.068 7.261 -3.576 1.00 0.00 C ATOM 725 C LEU A 48 -5.764 8.018 -4.863 1.00 0.00 C ATOM 726 O LEU A 48 -5.153 9.087 -4.838 1.00 0.00 O ATOM 727 CB LEU A 48 -4.970 6.229 -3.302 1.00 0.00 C ATOM 728 CG LEU A 48 -5.311 5.161 -2.258 1.00 0.00 C ATOM 729 CD1 LEU A 48 -4.038 4.583 -1.661 1.00 0.00 C ATOM 730 CD2 LEU A 48 -6.196 5.734 -1.159 1.00 0.00 C ATOM 0 H LEU A 48 -7.339 5.595 -3.672 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.093 7.973 -2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.723 5.730 -4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.073 6.757 -2.976 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.862 4.363 -2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.295 3.825 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.439 4.130 -2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.467 5.379 -1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.423 4.955 -0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.676 6.553 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.124 6.105 -1.595 1.00 0.00 H new ATOM 742 N ASN A 49 -6.198 7.458 -5.987 1.00 0.00 N ATOM 743 CA ASN A 49 -5.978 8.082 -7.285 1.00 0.00 C ATOM 744 C ASN A 49 -6.652 9.448 -7.346 1.00 0.00 C ATOM 745 O ASN A 49 -6.135 10.381 -7.960 1.00 0.00 O ATOM 746 CB ASN A 49 -6.509 7.183 -8.403 1.00 0.00 C ATOM 747 CG ASN A 49 -6.274 7.771 -9.779 1.00 0.00 C ATOM 748 OD1 ASN A 49 -5.367 7.355 -10.500 1.00 0.00 O ATOM 749 ND2 ASN A 49 -7.093 8.747 -10.148 1.00 0.00 N ATOM 0 H ASN A 49 -6.704 6.573 -6.025 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.905 8.219 -7.422 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.027 6.207 -8.341 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.577 7.020 -8.258 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.985 9.185 -11.063 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.831 9.059 -9.517 1.00 0.00 H new ATOM 756 N ALA A 50 -7.809 9.558 -6.703 1.00 0.00 N ATOM 757 CA ALA A 50 -8.555 10.809 -6.677 1.00 0.00 C ATOM 758 C ALA A 50 -7.839 11.855 -5.832 1.00 0.00 C ATOM 759 O ALA A 50 -7.981 13.054 -6.060 1.00 0.00 O ATOM 760 CB ALA A 50 -9.966 10.585 -6.162 1.00 0.00 C ATOM 0 H ALA A 50 -8.251 8.794 -6.192 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.617 11.182 -7.699 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.504 11.533 -6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.484 9.881 -6.814 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.924 10.180 -5.151 1.00 0.00 H new ATOM 766 N SER A 51 -7.073 11.393 -4.851 1.00 0.00 N ATOM 767 CA SER A 51 -6.331 12.286 -3.970 1.00 0.00 C ATOM 768 C SER A 51 -5.211 12.990 -4.733 1.00 0.00 C ATOM 769 O SER A 51 -4.861 14.132 -4.436 1.00 0.00 O ATOM 770 CB SER A 51 -5.747 11.503 -2.791 1.00 0.00 C ATOM 771 OG SER A 51 -5.792 12.266 -1.597 1.00 0.00 O ATOM 0 H SER A 51 -6.949 10.402 -4.645 1.00 0.00 H new ATOM 0 HA SER A 51 -7.020 13.040 -3.590 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.304 10.576 -2.655 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.716 11.226 -3.010 1.00 0.00 H new ATOM 0 HG SER A 51 -5.415 11.742 -0.860 1.00 0.00 H new ATOM 777 N LEU A 52 -4.645 12.289 -5.707 1.00 0.00 N ATOM 778 CA LEU A 52 -3.549 12.824 -6.516 1.00 0.00 C ATOM 779 C LEU A 52 -3.974 14.066 -7.298 1.00 0.00 C ATOM 780 O LEU A 52 -3.357 15.124 -7.180 1.00 0.00 O ATOM 781 CB LEU A 52 -3.034 11.754 -7.487 1.00 0.00 C ATOM 782 CG LEU A 52 -3.139 10.307 -6.988 1.00 0.00 C ATOM 783 CD1 LEU A 52 -2.412 9.361 -7.926 1.00 0.00 C ATOM 784 CD2 LEU A 52 -2.580 10.187 -5.579 1.00 0.00 C ATOM 0 H LEU A 52 -4.927 11.342 -5.960 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.751 13.113 -5.832 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.588 11.839 -8.422 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.990 11.967 -7.715 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.193 10.030 -6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.499 8.340 -7.553 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.854 9.423 -8.920 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.359 9.639 -7.979 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.663 9.154 -5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.532 10.487 -5.577 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.144 10.834 -4.907 1.00 0.00 H new ATOM 796 N GLN A 53 -5.020 13.927 -8.107 1.00 0.00 N ATOM 797 CA GLN A 53 -5.517 15.036 -8.924 1.00 0.00 C ATOM 798 C GLN A 53 -5.725 16.307 -8.101 1.00 0.00 C ATOM 799 O GLN A 53 -5.683 17.413 -8.638 1.00 0.00 O ATOM 800 CB GLN A 53 -6.825 14.652 -9.624 1.00 0.00 C ATOM 801 CG GLN A 53 -7.778 13.842 -8.766 1.00 0.00 C ATOM 802 CD GLN A 53 -8.375 12.672 -9.519 1.00 0.00 C ATOM 803 OE1 GLN A 53 -9.544 12.695 -9.903 1.00 0.00 O ATOM 804 NE2 GLN A 53 -7.569 11.640 -9.734 1.00 0.00 N ATOM 0 H GLN A 53 -5.542 13.058 -8.216 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.754 15.243 -9.674 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.330 15.562 -9.948 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.589 14.081 -10.522 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.249 13.474 -7.887 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.580 14.488 -8.408 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.607 11.666 -9.397 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.912 10.821 -10.236 1.00 0.00 H new ATOM 813 N VAL A 54 -5.950 16.148 -6.802 1.00 0.00 N ATOM 814 CA VAL A 54 -6.163 17.296 -5.925 1.00 0.00 C ATOM 815 C VAL A 54 -4.929 17.587 -5.078 1.00 0.00 C ATOM 816 O VAL A 54 -5.022 18.220 -4.025 1.00 0.00 O ATOM 817 CB VAL A 54 -7.378 17.092 -4.996 1.00 0.00 C ATOM 818 CG1 VAL A 54 -8.668 17.447 -5.720 1.00 0.00 C ATOM 819 CG2 VAL A 54 -7.430 15.666 -4.475 1.00 0.00 C ATOM 0 H VAL A 54 -5.990 15.243 -6.334 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.359 18.147 -6.577 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.268 17.759 -4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.514 17.297 -5.050 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.634 18.490 -6.034 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.781 16.808 -6.596 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.295 15.548 -3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.511 14.975 -5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.521 15.450 -3.914 1.00 0.00 H new ATOM 829 N ASP A 55 -3.770 17.128 -5.543 1.00 0.00 N ATOM 830 CA ASP A 55 -2.520 17.346 -4.827 1.00 0.00 C ATOM 831 C ASP A 55 -1.888 18.674 -5.237 1.00 0.00 C ATOM 832 O ASP A 55 -2.264 19.263 -6.251 1.00 0.00 O ATOM 833 CB ASP A 55 -1.545 16.199 -5.096 1.00 0.00 C ATOM 834 CG ASP A 55 -0.503 16.056 -4.003 1.00 0.00 C ATOM 835 OD1 ASP A 55 -0.417 16.956 -3.140 1.00 0.00 O ATOM 836 OD2 ASP A 55 0.228 15.043 -4.010 1.00 0.00 O ATOM 0 H ASP A 55 -3.672 16.603 -6.412 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.741 17.380 -3.760 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.102 15.266 -5.187 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.046 16.367 -6.050 1.00 0.00 H new ATOM 841 N ARG A 56 -0.929 19.141 -4.445 1.00 0.00 N ATOM 842 CA ARG A 56 -0.248 20.399 -4.729 1.00 0.00 C ATOM 843 C ARG A 56 0.826 20.211 -5.794 1.00 0.00 C ATOM 844 O ARG A 56 1.113 21.126 -6.567 1.00 0.00 O ATOM 845 CB ARG A 56 0.377 20.964 -3.452 1.00 0.00 C ATOM 846 CG ARG A 56 -0.645 21.399 -2.415 1.00 0.00 C ATOM 847 CD ARG A 56 0.020 22.062 -1.220 1.00 0.00 C ATOM 848 NE ARG A 56 -0.657 21.737 0.033 1.00 0.00 N ATOM 849 CZ ARG A 56 -0.107 21.894 1.235 1.00 0.00 C ATOM 850 NH1 ARG A 56 1.127 22.372 1.351 1.00 0.00 N ATOM 851 NH2 ARG A 56 -0.791 21.573 2.324 1.00 0.00 N ATOM 0 H ARG A 56 -0.606 18.667 -3.601 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.988 21.105 -5.107 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.030 20.210 -3.012 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.005 21.817 -3.711 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.353 22.092 -2.869 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.216 20.533 -2.080 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.061 21.745 -1.162 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.023 23.143 -1.360 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.607 21.368 -0.016 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.658 22.621 0.516 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.543 22.490 2.275 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.739 21.206 2.241 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.369 21.693 3.245 1.00 0.00 H new ATOM 865 N ASP A 57 1.417 19.022 -5.831 1.00 0.00 N ATOM 866 CA ASP A 57 2.460 18.716 -6.804 1.00 0.00 C ATOM 867 C ASP A 57 1.910 17.865 -7.944 1.00 0.00 C ATOM 868 O ASP A 57 1.764 16.650 -7.810 1.00 0.00 O ATOM 869 CB ASP A 57 3.622 17.991 -6.125 1.00 0.00 C ATOM 870 CG ASP A 57 4.185 18.771 -4.953 1.00 0.00 C ATOM 871 OD1 ASP A 57 4.103 20.017 -4.975 1.00 0.00 O ATOM 872 OD2 ASP A 57 4.708 18.136 -4.012 1.00 0.00 O ATOM 0 H ASP A 57 1.192 18.254 -5.199 1.00 0.00 H new ATOM 0 HA ASP A 57 2.821 19.657 -7.220 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.285 17.014 -5.779 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.413 17.815 -6.854 1.00 0.00 H new ATOM 877 N ALA A 58 1.608 18.511 -9.065 1.00 0.00 N ATOM 878 CA ALA A 58 1.075 17.813 -10.228 1.00 0.00 C ATOM 879 C ALA A 58 2.103 16.848 -10.808 1.00 0.00 C ATOM 880 O ALA A 58 1.783 15.702 -11.129 1.00 0.00 O ATOM 881 CB ALA A 58 0.633 18.813 -11.287 1.00 0.00 C ATOM 0 H ALA A 58 1.723 19.516 -9.192 1.00 0.00 H new ATOM 0 HA ALA A 58 0.210 17.233 -9.907 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.237 18.278 -12.150 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.141 19.461 -10.875 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.486 19.418 -11.595 1.00 0.00 H new ATOM 887 N ALA A 59 3.340 17.317 -10.938 1.00 0.00 N ATOM 888 CA ALA A 59 4.416 16.495 -11.479 1.00 0.00 C ATOM 889 C ALA A 59 4.633 15.246 -10.631 1.00 0.00 C ATOM 890 O ALA A 59 4.938 14.174 -11.153 1.00 0.00 O ATOM 891 CB ALA A 59 5.702 17.303 -11.568 1.00 0.00 C ATOM 0 H ALA A 59 3.622 18.262 -10.676 1.00 0.00 H new ATOM 0 HA ALA A 59 4.128 16.177 -12.481 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.497 16.678 -11.973 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.547 18.162 -12.221 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.984 17.649 -10.574 1.00 0.00 H new ATOM 897 N ARG A 60 4.472 15.392 -9.320 1.00 0.00 N ATOM 898 CA ARG A 60 4.649 14.276 -8.398 1.00 0.00 C ATOM 899 C ARG A 60 3.481 13.298 -8.496 1.00 0.00 C ATOM 900 O ARG A 60 3.649 12.094 -8.310 1.00 0.00 O ATOM 901 CB ARG A 60 4.788 14.790 -6.963 1.00 0.00 C ATOM 902 CG ARG A 60 6.096 14.391 -6.297 1.00 0.00 C ATOM 903 CD ARG A 60 7.053 15.569 -6.184 1.00 0.00 C ATOM 904 NE ARG A 60 8.328 15.306 -6.847 1.00 0.00 N ATOM 905 CZ ARG A 60 8.517 15.413 -8.161 1.00 0.00 C ATOM 906 NH1 ARG A 60 7.516 15.774 -8.954 1.00 0.00 N ATOM 907 NH2 ARG A 60 9.709 15.157 -8.681 1.00 0.00 N ATOM 0 H ARG A 60 4.219 16.273 -8.872 1.00 0.00 H new ATOM 0 HA ARG A 60 5.562 13.748 -8.675 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.708 15.877 -6.966 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.957 14.411 -6.368 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.891 13.992 -5.304 1.00 0.00 H new ATOM 0 HG3 ARG A 60 6.568 13.593 -6.870 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.592 16.454 -6.623 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.231 15.791 -5.132 1.00 0.00 H new ATOM 0 HE ARG A 60 9.120 15.024 -6.270 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.597 15.971 -8.558 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.666 15.855 -9.960 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.481 14.878 -8.075 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.855 15.239 -9.687 1.00 0.00 H new ATOM 921 N SER A 61 2.296 13.826 -8.790 1.00 0.00 N ATOM 922 CA SER A 61 1.101 13.001 -8.913 1.00 0.00 C ATOM 923 C SER A 61 1.270 11.958 -10.013 1.00 0.00 C ATOM 924 O SER A 61 0.847 10.812 -9.865 1.00 0.00 O ATOM 925 CB SER A 61 -0.121 13.875 -9.207 1.00 0.00 C ATOM 926 OG SER A 61 -0.479 14.648 -8.075 1.00 0.00 O ATOM 0 H SER A 61 2.139 14.822 -8.947 1.00 0.00 H new ATOM 0 HA SER A 61 0.950 12.483 -7.966 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.093 14.534 -10.048 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.960 13.245 -9.501 1.00 0.00 H new ATOM 0 HG SER A 61 0.214 15.320 -7.905 1.00 0.00 H new ATOM 932 N ARG A 62 1.891 12.364 -11.117 1.00 0.00 N ATOM 933 CA ARG A 62 2.117 11.465 -12.245 1.00 0.00 C ATOM 934 C ARG A 62 2.792 10.173 -11.794 1.00 0.00 C ATOM 935 O ARG A 62 2.498 9.095 -12.310 1.00 0.00 O ATOM 936 CB ARG A 62 2.974 12.156 -13.309 1.00 0.00 C ATOM 937 CG ARG A 62 2.162 12.908 -14.350 1.00 0.00 C ATOM 938 CD ARG A 62 1.165 11.995 -15.046 1.00 0.00 C ATOM 939 NE ARG A 62 1.108 12.243 -16.484 1.00 0.00 N ATOM 940 CZ ARG A 62 0.571 11.399 -17.362 1.00 0.00 C ATOM 941 NH1 ARG A 62 0.043 10.252 -16.952 1.00 0.00 N ATOM 942 NH2 ARG A 62 0.559 11.702 -18.652 1.00 0.00 N ATOM 0 H ARG A 62 2.247 13.310 -11.255 1.00 0.00 H new ATOM 0 HA ARG A 62 1.147 11.213 -12.672 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.655 12.852 -12.819 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.589 11.408 -13.810 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.631 13.732 -13.873 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.833 13.346 -15.089 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.440 10.955 -14.868 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.175 12.142 -14.613 1.00 0.00 H new ATOM 0 HE ARG A 62 1.503 13.115 -16.836 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.048 10.014 -15.960 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.367 9.609 -17.629 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.962 12.583 -18.973 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.147 11.055 -19.324 1.00 0.00 H new ATOM 956 N ARG A 63 3.698 10.290 -10.830 1.00 0.00 N ATOM 957 CA ARG A 63 4.414 9.131 -10.310 1.00 0.00 C ATOM 958 C ARG A 63 3.448 8.142 -9.664 1.00 0.00 C ATOM 959 O ARG A 63 3.495 6.943 -9.941 1.00 0.00 O ATOM 960 CB ARG A 63 5.469 9.570 -9.293 1.00 0.00 C ATOM 961 CG ARG A 63 6.771 10.032 -9.929 1.00 0.00 C ATOM 962 CD ARG A 63 6.945 11.539 -9.823 1.00 0.00 C ATOM 963 NE ARG A 63 8.021 11.904 -8.904 1.00 0.00 N ATOM 964 CZ ARG A 63 9.313 11.860 -9.221 1.00 0.00 C ATOM 965 NH1 ARG A 63 9.694 11.471 -10.431 1.00 0.00 N ATOM 966 NH2 ARG A 63 10.227 12.209 -8.325 1.00 0.00 N ATOM 0 H ARG A 63 3.954 11.175 -10.393 1.00 0.00 H new ATOM 0 HA ARG A 63 4.910 8.636 -11.145 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.063 10.380 -8.687 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.678 8.740 -8.618 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.610 9.534 -9.443 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.789 9.737 -10.978 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.157 11.949 -10.810 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.011 11.989 -9.485 1.00 0.00 H new ATOM 0 HE ARG A 63 7.767 12.210 -7.965 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.995 11.204 -11.124 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.686 11.439 -10.668 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.939 12.511 -7.394 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.217 12.176 -8.567 1.00 0.00 H new ATOM 980 N LEU A 64 2.573 8.653 -8.803 1.00 0.00 N ATOM 981 CA LEU A 64 1.594 7.813 -8.120 1.00 0.00 C ATOM 982 C LEU A 64 0.537 7.311 -9.097 1.00 0.00 C ATOM 983 O LEU A 64 0.030 6.198 -8.963 1.00 0.00 O ATOM 984 CB LEU A 64 0.918 8.580 -6.975 1.00 0.00 C ATOM 985 CG LEU A 64 1.734 9.726 -6.370 1.00 0.00 C ATOM 986 CD1 LEU A 64 1.065 10.249 -5.109 1.00 0.00 C ATOM 987 CD2 LEU A 64 3.157 9.272 -6.072 1.00 0.00 C ATOM 0 H LEU A 64 2.522 9.643 -8.562 1.00 0.00 H new ATOM 0 HA LEU A 64 2.125 6.957 -7.704 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.026 8.984 -7.341 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.676 7.873 -6.182 1.00 0.00 H new ATOM 0 HG LEU A 64 1.779 10.537 -7.097 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.659 11.063 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.067 10.615 -5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.989 9.445 -4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.721 10.100 -5.643 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.134 8.443 -5.364 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.636 8.947 -6.996 1.00 0.00 H new ATOM 999 N MET A 65 0.204 8.144 -10.077 1.00 0.00 N ATOM 1000 CA MET A 65 -0.797 7.793 -11.077 1.00 0.00 C ATOM 1001 C MET A 65 -0.334 6.615 -11.928 1.00 0.00 C ATOM 1002 O MET A 65 -1.142 5.786 -12.348 1.00 0.00 O ATOM 1003 CB MET A 65 -1.099 8.999 -11.967 1.00 0.00 C ATOM 1004 CG MET A 65 -1.733 10.159 -11.215 1.00 0.00 C ATOM 1005 SD MET A 65 -3.170 10.843 -12.064 1.00 0.00 S ATOM 1006 CE MET A 65 -4.308 11.039 -10.695 1.00 0.00 C ATOM 0 H MET A 65 0.614 9.070 -10.200 1.00 0.00 H new ATOM 0 HA MET A 65 -1.707 7.498 -10.555 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.174 9.339 -12.432 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.765 8.690 -12.772 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.030 9.823 -10.222 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.991 10.945 -11.077 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.327 11.106 -11.076 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.226 10.181 -10.028 1.00 0.00 H new ATOM 0 HE3 MET A 65 -4.065 11.949 -10.147 1.00 0.00 H new ATOM 1016 N ALA A 66 0.969 6.541 -12.175 1.00 0.00 N ATOM 1017 CA ALA A 66 1.533 5.460 -12.968 1.00 0.00 C ATOM 1018 C ALA A 66 1.708 4.210 -12.120 1.00 0.00 C ATOM 1019 O ALA A 66 1.440 3.096 -12.571 1.00 0.00 O ATOM 1020 CB ALA A 66 2.862 5.884 -13.576 1.00 0.00 C ATOM 0 H ALA A 66 1.653 7.218 -11.837 1.00 0.00 H new ATOM 0 HA ALA A 66 0.841 5.230 -13.778 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.270 5.064 -14.166 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.708 6.751 -14.218 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.561 6.141 -12.780 1.00 0.00 H new ATOM 1026 N LYS A 67 2.153 4.405 -10.884 1.00 0.00 N ATOM 1027 CA LYS A 67 2.355 3.294 -9.967 1.00 0.00 C ATOM 1028 C LYS A 67 1.015 2.752 -9.486 1.00 0.00 C ATOM 1029 O LYS A 67 0.867 1.554 -9.246 1.00 0.00 O ATOM 1030 CB LYS A 67 3.205 3.734 -8.773 1.00 0.00 C ATOM 1031 CG LYS A 67 4.524 4.375 -9.171 1.00 0.00 C ATOM 1032 CD LYS A 67 5.003 5.367 -8.121 1.00 0.00 C ATOM 1033 CE LYS A 67 6.206 4.833 -7.358 1.00 0.00 C ATOM 1034 NZ LYS A 67 7.402 4.695 -8.233 1.00 0.00 N ATOM 0 H LYS A 67 2.380 5.321 -10.496 1.00 0.00 H new ATOM 0 HA LYS A 67 2.883 2.501 -10.498 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.634 4.441 -8.171 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.407 2.868 -8.142 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.278 3.601 -9.312 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.408 4.884 -10.128 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.265 6.310 -8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.193 5.579 -7.423 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.437 5.503 -6.530 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.960 3.864 -6.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.264 4.730 -7.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.361 3.786 -8.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.418 5.472 -8.924 1.00 0.00 H new ATOM 1048 N LEU A 68 0.039 3.644 -9.360 1.00 0.00 N ATOM 1049 CA LEU A 68 -1.296 3.261 -8.921 1.00 0.00 C ATOM 1050 C LEU A 68 -2.067 2.591 -10.056 1.00 0.00 C ATOM 1051 O LEU A 68 -3.052 1.890 -9.819 1.00 0.00 O ATOM 1052 CB LEU A 68 -2.063 4.487 -8.421 1.00 0.00 C ATOM 1053 CG LEU A 68 -3.511 4.220 -8.006 1.00 0.00 C ATOM 1054 CD1 LEU A 68 -3.890 5.079 -6.809 1.00 0.00 C ATOM 1055 CD2 LEU A 68 -4.455 4.480 -9.170 1.00 0.00 C ATOM 0 H LEU A 68 0.148 4.639 -9.556 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.194 2.548 -8.103 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.529 4.908 -7.569 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.060 5.244 -9.206 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.599 3.172 -7.719 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.923 4.876 -6.528 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.233 4.845 -5.971 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.785 6.132 -7.069 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.481 4.285 -8.857 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.364 5.519 -9.488 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.198 3.823 -10.001 1.00 0.00 H new ATOM 1067 N ALA A 69 -1.612 2.806 -11.289 1.00 0.00 N ATOM 1068 CA ALA A 69 -2.258 2.220 -12.457 1.00 0.00 C ATOM 1069 C ALA A 69 -2.360 0.704 -12.322 1.00 0.00 C ATOM 1070 O ALA A 69 -3.249 0.077 -12.897 1.00 0.00 O ATOM 1071 CB ALA A 69 -1.496 2.589 -13.721 1.00 0.00 C ATOM 0 H ALA A 69 -0.798 3.382 -11.503 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.269 2.622 -12.525 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.989 2.145 -14.586 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.477 3.673 -13.831 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.475 2.213 -13.653 1.00 0.00 H new ATOM 1077 N ASP A 70 -1.444 0.122 -11.553 1.00 0.00 N ATOM 1078 CA ASP A 70 -1.430 -1.318 -11.336 1.00 0.00 C ATOM 1079 C ASP A 70 -1.795 -1.651 -9.891 1.00 0.00 C ATOM 1080 O ASP A 70 -2.445 -2.660 -9.623 1.00 0.00 O ATOM 1081 CB ASP A 70 -0.052 -1.888 -11.678 1.00 0.00 C ATOM 1082 CG ASP A 70 -0.131 -3.291 -12.246 1.00 0.00 C ATOM 1083 OD1 ASP A 70 -0.958 -4.087 -11.752 1.00 0.00 O ATOM 1084 OD2 ASP A 70 0.633 -3.595 -13.186 1.00 0.00 O ATOM 0 H ASP A 70 -0.702 0.628 -11.070 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.174 -1.772 -11.990 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.440 -1.235 -12.399 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.567 -1.897 -10.781 1.00 0.00 H new ATOM 1089 N PHE A 71 -1.377 -0.784 -8.969 1.00 0.00 N ATOM 1090 CA PHE A 71 -1.656 -0.960 -7.544 1.00 0.00 C ATOM 1091 C PHE A 71 -1.321 -2.375 -7.065 1.00 0.00 C ATOM 1092 O PHE A 71 -0.235 -2.617 -6.539 1.00 0.00 O ATOM 1093 CB PHE A 71 -3.121 -0.617 -7.242 1.00 0.00 C ATOM 1094 CG PHE A 71 -3.329 -0.040 -5.870 1.00 0.00 C ATOM 1095 CD1 PHE A 71 -2.690 1.130 -5.492 1.00 0.00 C ATOM 1096 CD2 PHE A 71 -4.165 -0.667 -4.959 1.00 0.00 C ATOM 1097 CE1 PHE A 71 -2.879 1.664 -4.231 1.00 0.00 C ATOM 1098 CE2 PHE A 71 -4.358 -0.137 -3.697 1.00 0.00 C ATOM 1099 CZ PHE A 71 -3.715 1.029 -3.333 1.00 0.00 C ATOM 0 H PHE A 71 -0.839 0.055 -9.187 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.012 -0.274 -6.995 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.480 0.095 -7.985 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.726 -1.518 -7.345 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -2.036 1.631 -6.191 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.671 -1.579 -5.238 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.374 2.576 -3.948 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.012 -0.635 -2.996 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.865 1.444 -2.347 1.00 0.00 H new ATOM 1109 N ALA A 72 -2.254 -3.305 -7.246 1.00 0.00 N ATOM 1110 CA ALA A 72 -2.049 -4.686 -6.828 1.00 0.00 C ATOM 1111 C ALA A 72 -1.443 -5.514 -7.956 1.00 0.00 C ATOM 1112 O ALA A 72 -2.163 -6.108 -8.759 1.00 0.00 O ATOM 1113 CB ALA A 72 -3.363 -5.298 -6.369 1.00 0.00 C ATOM 0 H ALA A 72 -3.160 -3.126 -7.680 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.349 -4.688 -5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.195 -6.330 -6.060 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.757 -4.726 -5.528 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.080 -5.277 -7.189 1.00 0.00 H new ATOM 1119 N VAL A 73 -0.116 -5.548 -8.011 1.00 0.00 N ATOM 1120 CA VAL A 73 0.586 -6.302 -9.044 1.00 0.00 C ATOM 1121 C VAL A 73 1.176 -7.590 -8.478 1.00 0.00 C ATOM 1122 O VAL A 73 1.439 -7.689 -7.280 1.00 0.00 O ATOM 1123 CB VAL A 73 1.719 -5.473 -9.682 1.00 0.00 C ATOM 1124 CG1 VAL A 73 2.065 -6.015 -11.060 1.00 0.00 C ATOM 1125 CG2 VAL A 73 1.337 -4.003 -9.763 1.00 0.00 C ATOM 0 H VAL A 73 0.495 -5.063 -7.354 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.151 -6.544 -9.810 1.00 0.00 H new ATOM 0 HB VAL A 73 2.601 -5.557 -9.047 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.866 -5.418 -11.495 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.391 -7.051 -10.972 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.186 -5.965 -11.702 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.152 -3.440 -10.217 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.439 -3.893 -10.370 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.146 -3.621 -8.760 1.00 0.00 H new ATOM 1135 N GLU A 74 1.381 -8.572 -9.349 1.00 0.00 N ATOM 1136 CA GLU A 74 1.943 -9.853 -8.936 1.00 0.00 C ATOM 1137 C GLU A 74 3.434 -9.723 -8.645 1.00 0.00 C ATOM 1138 O GLU A 74 4.267 -9.891 -9.536 1.00 0.00 O ATOM 1139 CB GLU A 74 1.713 -10.907 -10.021 1.00 0.00 C ATOM 1140 CG GLU A 74 0.302 -10.903 -10.586 1.00 0.00 C ATOM 1141 CD GLU A 74 -0.756 -11.068 -9.513 1.00 0.00 C ATOM 1142 OE1 GLU A 74 -0.854 -10.185 -8.635 1.00 0.00 O ATOM 1143 OE2 GLU A 74 -1.485 -12.081 -9.549 1.00 0.00 O ATOM 0 H GLU A 74 1.167 -8.506 -10.344 1.00 0.00 H new ATOM 0 HA GLU A 74 1.439 -10.166 -8.022 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.421 -10.740 -10.833 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.927 -11.893 -9.609 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.131 -9.968 -11.119 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.204 -11.708 -11.315 1.00 0.00 H new ATOM 1150 N GLN A 75 3.764 -9.422 -7.394 1.00 0.00 N ATOM 1151 CA GLN A 75 5.156 -9.268 -6.986 1.00 0.00 C ATOM 1152 C GLN A 75 5.481 -10.169 -5.801 1.00 0.00 C ATOM 1153 O GLN A 75 4.676 -10.319 -4.882 1.00 0.00 O ATOM 1154 CB GLN A 75 5.445 -7.810 -6.624 1.00 0.00 C ATOM 1155 CG GLN A 75 4.933 -6.812 -7.650 1.00 0.00 C ATOM 1156 CD GLN A 75 4.577 -5.473 -7.033 1.00 0.00 C ATOM 1157 OE1 GLN A 75 3.419 -5.057 -7.048 1.00 0.00 O ATOM 1158 NE2 GLN A 75 5.575 -4.791 -6.485 1.00 0.00 N ATOM 0 H GLN A 75 3.087 -9.280 -6.645 1.00 0.00 H new ATOM 0 HA GLN A 75 5.787 -9.561 -7.825 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.992 -7.588 -5.658 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.521 -7.680 -6.509 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.692 -6.664 -8.418 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.054 -7.225 -8.146 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.520 -5.174 -6.495 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.397 -3.884 -6.054 1.00 0.00 H new ATOM 1167 N GLU A 76 6.668 -10.768 -5.827 1.00 0.00 N ATOM 1168 CA GLU A 76 7.101 -11.653 -4.752 1.00 0.00 C ATOM 1169 C GLU A 76 7.511 -10.847 -3.523 1.00 0.00 C ATOM 1170 O GLU A 76 8.422 -10.022 -3.584 1.00 0.00 O ATOM 1171 CB GLU A 76 8.266 -12.528 -5.222 1.00 0.00 C ATOM 1172 CG GLU A 76 7.966 -14.017 -5.174 1.00 0.00 C ATOM 1173 CD GLU A 76 7.633 -14.589 -6.538 1.00 0.00 C ATOM 1174 OE1 GLU A 76 8.323 -14.228 -7.516 1.00 0.00 O ATOM 1175 OE2 GLU A 76 6.687 -15.397 -6.629 1.00 0.00 O ATOM 0 H GLU A 76 7.346 -10.656 -6.581 1.00 0.00 H new ATOM 0 HA GLU A 76 6.264 -12.296 -4.479 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.528 -12.251 -6.243 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.138 -12.321 -4.602 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.827 -14.544 -4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.131 -14.194 -4.496 1.00 0.00 H new ATOM 1182 N VAL A 77 6.830 -11.091 -2.408 1.00 0.00 N ATOM 1183 CA VAL A 77 7.121 -10.386 -1.165 1.00 0.00 C ATOM 1184 C VAL A 77 8.124 -11.158 -0.315 1.00 0.00 C ATOM 1185 O VAL A 77 8.046 -12.381 -0.201 1.00 0.00 O ATOM 1186 CB VAL A 77 5.842 -10.153 -0.338 1.00 0.00 C ATOM 1187 CG1 VAL A 77 6.126 -9.226 0.835 1.00 0.00 C ATOM 1188 CG2 VAL A 77 4.729 -9.595 -1.214 1.00 0.00 C ATOM 0 H VAL A 77 6.073 -11.771 -2.340 1.00 0.00 H new ATOM 0 HA VAL A 77 7.548 -9.422 -1.443 1.00 0.00 H new ATOM 0 HB VAL A 77 5.510 -11.112 0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.211 -9.073 1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.885 -9.673 1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.485 -8.267 0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.835 -9.438 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.047 -8.646 -1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.507 -10.301 -2.014 1.00 0.00 H new ATOM 1198 N THR A 78 9.065 -10.432 0.281 1.00 0.00 N ATOM 1199 CA THR A 78 10.085 -11.043 1.128 1.00 0.00 C ATOM 1200 C THR A 78 10.447 -10.114 2.277 1.00 0.00 C ATOM 1201 O THR A 78 9.693 -9.201 2.609 1.00 0.00 O ATOM 1202 CB THR A 78 11.343 -11.382 0.313 1.00 0.00 C ATOM 1203 OG1 THR A 78 12.353 -10.405 0.501 1.00 0.00 O ATOM 1204 CG2 THR A 78 11.095 -11.479 -1.169 1.00 0.00 C ATOM 0 H THR A 78 9.143 -9.419 0.193 1.00 0.00 H new ATOM 0 HA THR A 78 9.676 -11.968 1.534 1.00 0.00 H new ATOM 0 HB THR A 78 11.656 -12.358 0.684 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.143 -10.645 -0.027 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.028 -11.721 -1.679 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.361 -12.261 -1.365 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.717 -10.526 -1.538 1.00 0.00 H new ATOM 1212 N ALA A 79 11.614 -10.342 2.866 1.00 0.00 N ATOM 1213 CA ALA A 79 12.080 -9.510 3.966 1.00 0.00 C ATOM 1214 C ALA A 79 12.606 -8.185 3.437 1.00 0.00 C ATOM 1215 O ALA A 79 13.192 -8.124 2.356 1.00 0.00 O ATOM 1216 CB ALA A 79 13.146 -10.228 4.775 1.00 0.00 C ATOM 0 H ALA A 79 12.252 -11.093 2.602 1.00 0.00 H new ATOM 0 HA ALA A 79 11.237 -9.310 4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.478 -9.586 5.591 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.733 -11.150 5.184 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.993 -10.464 4.132 1.00 0.00 H new ATOM 1222 N GLY A 80 12.375 -7.121 4.192 1.00 0.00 N ATOM 1223 CA GLY A 80 12.810 -5.805 3.770 1.00 0.00 C ATOM 1224 C GLY A 80 11.684 -5.038 3.111 1.00 0.00 C ATOM 1225 O GLY A 80 11.614 -3.812 3.207 1.00 0.00 O ATOM 0 H GLY A 80 11.893 -7.145 5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.177 -5.247 4.632 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.643 -5.901 3.074 1.00 0.00 H new ATOM 1229 N ASP A 81 10.786 -5.771 2.455 1.00 0.00 N ATOM 1230 CA ASP A 81 9.639 -5.167 1.794 1.00 0.00 C ATOM 1231 C ASP A 81 8.518 -4.947 2.806 1.00 0.00 C ATOM 1232 O ASP A 81 8.770 -4.881 4.009 1.00 0.00 O ATOM 1233 CB ASP A 81 9.158 -6.064 0.649 1.00 0.00 C ATOM 1234 CG ASP A 81 10.292 -6.511 -0.252 1.00 0.00 C ATOM 1235 OD1 ASP A 81 11.085 -5.645 -0.680 1.00 0.00 O ATOM 1236 OD2 ASP A 81 10.389 -7.724 -0.529 1.00 0.00 O ATOM 0 H ASP A 81 10.834 -6.786 2.369 1.00 0.00 H new ATOM 0 HA ASP A 81 9.932 -4.203 1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.660 -6.941 1.063 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.418 -5.526 0.057 1.00 0.00 H new ATOM 1241 N ARG A 82 7.283 -4.835 2.327 1.00 0.00 N ATOM 1242 CA ARG A 82 6.150 -4.625 3.221 1.00 0.00 C ATOM 1243 C ARG A 82 4.844 -5.075 2.579 1.00 0.00 C ATOM 1244 O ARG A 82 4.725 -5.138 1.356 1.00 0.00 O ATOM 1245 CB ARG A 82 6.051 -3.152 3.619 1.00 0.00 C ATOM 1246 CG ARG A 82 6.240 -2.188 2.457 1.00 0.00 C ATOM 1247 CD ARG A 82 7.210 -1.071 2.809 1.00 0.00 C ATOM 1248 NE ARG A 82 8.584 -1.405 2.442 1.00 0.00 N ATOM 1249 CZ ARG A 82 9.067 -1.306 1.205 1.00 0.00 C ATOM 1250 NH1 ARG A 82 8.290 -0.888 0.213 1.00 0.00 N ATOM 1251 NH2 ARG A 82 10.330 -1.626 0.959 1.00 0.00 N ATOM 0 H ARG A 82 7.043 -4.885 1.337 1.00 0.00 H new ATOM 0 HA ARG A 82 6.317 -5.229 4.113 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.076 -2.973 4.073 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.801 -2.940 4.381 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.611 -2.732 1.588 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.277 -1.760 2.178 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.910 -0.156 2.298 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.159 -0.870 3.879 1.00 0.00 H new ATOM 0 HE ARG A 82 9.211 -1.734 3.177 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.318 -0.641 0.396 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.665 -0.814 -0.732 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.932 -1.948 1.717 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.700 -1.550 0.012 1.00 0.00 H new ATOM 1265 N VAL A 83 3.865 -5.383 3.423 1.00 0.00 N ATOM 1266 CA VAL A 83 2.558 -5.822 2.956 1.00 0.00 C ATOM 1267 C VAL A 83 1.482 -4.820 3.356 1.00 0.00 C ATOM 1268 O VAL A 83 1.288 -4.544 4.540 1.00 0.00 O ATOM 1269 CB VAL A 83 2.196 -7.207 3.529 1.00 0.00 C ATOM 1270 CG1 VAL A 83 0.845 -7.672 3.007 1.00 0.00 C ATOM 1271 CG2 VAL A 83 3.279 -8.221 3.196 1.00 0.00 C ATOM 0 H VAL A 83 3.954 -5.336 4.438 1.00 0.00 H new ATOM 0 HA VAL A 83 2.607 -5.891 1.869 1.00 0.00 H new ATOM 0 HB VAL A 83 2.128 -7.121 4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.611 -8.651 3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.076 -6.958 3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.879 -7.740 1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.007 -9.193 3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.382 -8.302 2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.226 -7.897 3.627 1.00 0.00 H new ATOM 1281 N VAL A 84 0.783 -4.277 2.365 1.00 0.00 N ATOM 1282 CA VAL A 84 -0.270 -3.306 2.628 1.00 0.00 C ATOM 1283 C VAL A 84 -1.626 -3.993 2.751 1.00 0.00 C ATOM 1284 O VAL A 84 -2.098 -4.638 1.813 1.00 0.00 O ATOM 1285 CB VAL A 84 -0.332 -2.223 1.530 1.00 0.00 C ATOM 1286 CG1 VAL A 84 -0.928 -2.773 0.242 1.00 0.00 C ATOM 1287 CG2 VAL A 84 -1.121 -1.019 2.020 1.00 0.00 C ATOM 0 H VAL A 84 0.926 -4.492 1.378 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.029 -2.821 3.574 1.00 0.00 H new ATOM 0 HB VAL A 84 0.687 -1.905 1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.957 -1.985 -0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.314 -3.598 -0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.940 -3.130 0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.156 -0.263 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.135 -1.327 2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.637 -0.602 2.903 1.00 0.00 H new ATOM 1297 N VAL A 85 -2.245 -3.855 3.916 1.00 0.00 N ATOM 1298 CA VAL A 85 -3.543 -4.464 4.169 1.00 0.00 C ATOM 1299 C VAL A 85 -4.667 -3.450 3.973 1.00 0.00 C ATOM 1300 O VAL A 85 -4.692 -2.406 4.624 1.00 0.00 O ATOM 1301 CB VAL A 85 -3.622 -5.043 5.597 1.00 0.00 C ATOM 1302 CG1 VAL A 85 -4.741 -6.065 5.700 1.00 0.00 C ATOM 1303 CG2 VAL A 85 -2.291 -5.663 6.002 1.00 0.00 C ATOM 0 H VAL A 85 -1.868 -3.325 4.702 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.662 -5.277 3.453 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.841 -4.225 6.284 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.780 -6.461 6.715 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.692 -5.589 5.460 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.556 -6.879 4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.369 -6.065 7.012 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.038 -6.467 5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.511 -4.902 5.974 1.00 0.00 H new ATOM 1313 N ILE A 86 -5.593 -3.760 3.066 1.00 0.00 N ATOM 1314 CA ILE A 86 -6.715 -2.864 2.785 1.00 0.00 C ATOM 1315 C ILE A 86 -7.518 -2.562 4.049 1.00 0.00 C ATOM 1316 O ILE A 86 -8.243 -1.570 4.109 1.00 0.00 O ATOM 1317 CB ILE A 86 -7.673 -3.428 1.710 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -6.905 -4.243 0.660 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -8.435 -2.289 1.050 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -7.707 -4.546 -0.589 1.00 0.00 C ATOM 0 H ILE A 86 -5.589 -4.619 2.516 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.269 -1.946 2.403 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.384 -4.097 2.195 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.005 -3.697 0.378 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.581 -5.182 1.109 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.108 -2.692 0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -9.014 -1.754 1.803 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.730 -1.604 0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.096 -5.124 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -8.594 -5.120 -0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.008 -3.612 -1.063 1.00 0.00 H new ATOM 1332 N ASP A 87 -7.376 -3.413 5.060 1.00 0.00 N ATOM 1333 CA ASP A 87 -8.076 -3.220 6.324 1.00 0.00 C ATOM 1334 C ASP A 87 -7.120 -2.637 7.359 1.00 0.00 C ATOM 1335 O ASP A 87 -7.461 -1.705 8.085 1.00 0.00 O ATOM 1336 CB ASP A 87 -8.654 -4.545 6.826 1.00 0.00 C ATOM 1337 CG ASP A 87 -10.131 -4.442 7.156 1.00 0.00 C ATOM 1338 OD1 ASP A 87 -10.940 -4.280 6.218 1.00 0.00 O ATOM 1339 OD2 ASP A 87 -10.478 -4.525 8.353 1.00 0.00 O ATOM 0 H ASP A 87 -6.783 -4.242 5.028 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.900 -2.524 6.166 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.507 -5.314 6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.107 -4.864 7.713 1.00 0.00 H new ATOM 1344 N GLY A 88 -5.913 -3.192 7.403 1.00 0.00 N ATOM 1345 CA GLY A 88 -4.900 -2.721 8.329 1.00 0.00 C ATOM 1346 C GLY A 88 -4.165 -3.861 9.010 1.00 0.00 C ATOM 1347 O GLY A 88 -4.336 -5.023 8.642 1.00 0.00 O ATOM 0 H GLY A 88 -5.617 -3.966 6.808 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.183 -2.098 7.794 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.368 -2.090 9.085 1.00 0.00 H new ATOM 1351 N LEU A 89 -3.350 -3.532 10.010 1.00 0.00 N ATOM 1352 CA LEU A 89 -2.594 -4.540 10.748 1.00 0.00 C ATOM 1353 C LEU A 89 -1.781 -3.901 11.871 1.00 0.00 C ATOM 1354 O LEU A 89 -0.820 -3.176 11.621 1.00 0.00 O ATOM 1355 CB LEU A 89 -1.663 -5.308 9.804 1.00 0.00 C ATOM 1356 CG LEU A 89 -1.027 -6.565 10.403 1.00 0.00 C ATOM 1357 CD1 LEU A 89 -2.096 -7.484 10.973 1.00 0.00 C ATOM 1358 CD2 LEU A 89 -0.198 -7.293 9.356 1.00 0.00 C ATOM 0 H LEU A 89 -3.197 -2.575 10.327 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.307 -5.236 11.190 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.226 -5.592 8.915 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.868 -4.638 9.477 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.366 -6.263 11.215 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.625 -8.372 11.394 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.647 -6.960 11.754 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.783 -7.779 10.180 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.247 -8.184 9.799 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.838 -7.583 8.522 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.592 -6.634 8.995 1.00 0.00 H new ATOM 1370 N ASP A 90 -2.173 -4.174 13.111 1.00 0.00 N ATOM 1371 CA ASP A 90 -1.478 -3.620 14.268 1.00 0.00 C ATOM 1372 C ASP A 90 -0.941 -4.728 15.170 1.00 0.00 C ATOM 1373 O ASP A 90 -1.187 -4.733 16.377 1.00 0.00 O ATOM 1374 CB ASP A 90 -2.414 -2.705 15.061 1.00 0.00 C ATOM 1375 CG ASP A 90 -1.712 -1.463 15.570 1.00 0.00 C ATOM 1376 OD1 ASP A 90 -1.359 -0.597 14.742 1.00 0.00 O ATOM 1377 OD2 ASP A 90 -1.512 -1.355 16.799 1.00 0.00 O ATOM 0 H ASP A 90 -2.966 -4.774 13.341 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.632 -3.036 13.905 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.253 -2.412 14.429 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.828 -3.257 15.905 1.00 0.00 H new ATOM 1382 N ARG A 91 -0.203 -5.664 14.580 1.00 0.00 N ATOM 1383 CA ARG A 91 0.371 -6.773 15.335 1.00 0.00 C ATOM 1384 C ARG A 91 1.206 -7.678 14.434 1.00 0.00 C ATOM 1385 O ARG A 91 0.996 -7.729 13.221 1.00 0.00 O ATOM 1386 CB ARG A 91 -0.735 -7.590 16.007 1.00 0.00 C ATOM 1387 CG ARG A 91 -1.676 -8.269 15.023 1.00 0.00 C ATOM 1388 CD ARG A 91 -1.415 -9.766 14.935 1.00 0.00 C ATOM 1389 NE ARG A 91 -2.596 -10.549 15.291 1.00 0.00 N ATOM 1390 CZ ARG A 91 -2.987 -10.773 16.543 1.00 0.00 C ATOM 1391 NH1 ARG A 91 -2.295 -10.279 17.561 1.00 0.00 N ATOM 1392 NH2 ARG A 91 -4.075 -11.495 16.778 1.00 0.00 N ATOM 0 H ARG A 91 0.011 -5.677 13.583 1.00 0.00 H new ATOM 0 HA ARG A 91 1.023 -6.353 16.101 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -0.279 -8.349 16.643 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.314 -6.935 16.658 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.708 -8.097 15.329 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.557 -7.820 14.037 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.103 -10.021 13.922 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.591 -10.030 15.598 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.154 -10.947 14.535 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.457 -9.724 17.387 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.600 -10.455 18.518 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -4.611 -11.878 15.999 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.375 -11.667 17.737 1.00 0.00 H new ATOM 1406 N MET A 92 2.148 -8.395 15.038 1.00 0.00 N ATOM 1407 CA MET A 92 3.014 -9.305 14.296 1.00 0.00 C ATOM 1408 C MET A 92 2.213 -10.481 13.748 1.00 0.00 C ATOM 1409 O MET A 92 1.626 -11.252 14.508 1.00 0.00 O ATOM 1410 CB MET A 92 4.141 -9.812 15.198 1.00 0.00 C ATOM 1411 CG MET A 92 5.482 -9.151 14.922 1.00 0.00 C ATOM 1412 SD MET A 92 5.991 -8.030 16.239 1.00 0.00 S ATOM 1413 CE MET A 92 4.508 -7.048 16.444 1.00 0.00 C ATOM 0 H MET A 92 2.332 -8.364 16.041 1.00 0.00 H new ATOM 0 HA MET A 92 3.448 -8.761 13.457 1.00 0.00 H new ATOM 0 HB2 MET A 92 3.868 -9.640 16.239 1.00 0.00 H new ATOM 0 HB3 MET A 92 4.242 -10.890 15.069 1.00 0.00 H new ATOM 0 HG2 MET A 92 6.242 -9.921 14.793 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.424 -8.600 13.984 1.00 0.00 H new ATOM 0 HE1 MET A 92 4.776 -6.057 16.811 1.00 0.00 H new ATOM 0 HE2 MET A 92 3.998 -6.954 15.485 1.00 0.00 H new ATOM 0 HE3 MET A 92 3.846 -7.534 17.161 1.00 0.00 H new ATOM 1423 N ALA A 93 2.184 -10.609 12.426 1.00 0.00 N ATOM 1424 CA ALA A 93 1.443 -11.693 11.787 1.00 0.00 C ATOM 1425 C ALA A 93 2.256 -12.365 10.689 1.00 0.00 C ATOM 1426 O ALA A 93 2.746 -11.705 9.775 1.00 0.00 O ATOM 1427 CB ALA A 93 0.133 -11.168 11.220 1.00 0.00 C ATOM 0 H ALA A 93 2.661 -9.981 11.779 1.00 0.00 H new ATOM 0 HA ALA A 93 1.234 -12.443 12.549 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.411 -11.985 10.746 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.470 -10.749 12.025 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.341 -10.393 10.482 1.00 0.00 H new ATOM 1433 N HIS A 94 2.391 -13.684 10.780 1.00 0.00 N ATOM 1434 CA HIS A 94 3.146 -14.442 9.789 1.00 0.00 C ATOM 1435 C HIS A 94 2.604 -14.207 8.385 1.00 0.00 C ATOM 1436 O HIS A 94 1.424 -13.908 8.201 1.00 0.00 O ATOM 1437 CB HIS A 94 3.130 -15.939 10.119 1.00 0.00 C ATOM 1438 CG HIS A 94 1.886 -16.649 9.676 1.00 0.00 C ATOM 1439 ND1 HIS A 94 1.906 -17.874 9.043 1.00 0.00 N ATOM 1440 CD2 HIS A 94 0.584 -16.297 9.771 1.00 0.00 C ATOM 1441 CE1 HIS A 94 0.668 -18.243 8.765 1.00 0.00 C ATOM 1442 NE2 HIS A 94 -0.153 -17.305 9.197 1.00 0.00 N ATOM 0 H HIS A 94 1.989 -14.249 11.528 1.00 0.00 H new ATOM 0 HA HIS A 94 4.177 -14.089 9.820 1.00 0.00 H new ATOM 0 HB2 HIS A 94 3.993 -16.413 9.650 1.00 0.00 H new ATOM 0 HB3 HIS A 94 3.243 -16.064 11.196 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.196 -15.392 10.215 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.378 -19.157 8.269 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -1.170 -17.325 9.118 1.00 0.00 H new ATOM 1451 N PHE A 95 3.479 -14.344 7.398 1.00 0.00 N ATOM 1452 CA PHE A 95 3.102 -14.148 6.006 1.00 0.00 C ATOM 1453 C PHE A 95 3.402 -15.392 5.172 1.00 0.00 C ATOM 1454 O PHE A 95 2.754 -15.632 4.153 1.00 0.00 O ATOM 1455 CB PHE A 95 3.836 -12.935 5.430 1.00 0.00 C ATOM 1456 CG PHE A 95 3.568 -12.700 3.969 1.00 0.00 C ATOM 1457 CD1 PHE A 95 2.356 -12.175 3.550 1.00 0.00 C ATOM 1458 CD2 PHE A 95 4.527 -13.006 3.018 1.00 0.00 C ATOM 1459 CE1 PHE A 95 2.107 -11.959 2.208 1.00 0.00 C ATOM 1460 CE2 PHE A 95 4.283 -12.791 1.674 1.00 0.00 C ATOM 1461 CZ PHE A 95 3.071 -12.267 1.269 1.00 0.00 C ATOM 0 H PHE A 95 4.459 -14.591 7.537 1.00 0.00 H new ATOM 0 HA PHE A 95 2.028 -13.968 5.967 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.545 -12.046 5.991 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.908 -13.068 5.576 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.598 -11.932 4.280 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.476 -13.417 3.329 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.158 -11.549 1.894 1.00 0.00 H new ATOM 0 HE2 PHE A 95 5.039 -13.033 0.942 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.878 -12.099 0.220 1.00 0.00 H new ATOM 1471 N LYS A 96 4.384 -16.184 5.604 1.00 0.00 N ATOM 1472 CA LYS A 96 4.757 -17.399 4.885 1.00 0.00 C ATOM 1473 C LYS A 96 5.912 -18.107 5.583 1.00 0.00 C ATOM 1474 O LYS A 96 6.763 -17.464 6.196 1.00 0.00 O ATOM 1475 CB LYS A 96 5.146 -17.068 3.441 1.00 0.00 C ATOM 1476 CG LYS A 96 5.559 -18.284 2.627 1.00 0.00 C ATOM 1477 CD LYS A 96 5.588 -17.974 1.140 1.00 0.00 C ATOM 1478 CE LYS A 96 6.696 -16.992 0.797 1.00 0.00 C ATOM 1479 NZ LYS A 96 7.285 -17.264 -0.544 1.00 0.00 N ATOM 0 H LYS A 96 4.933 -16.006 6.445 1.00 0.00 H new ATOM 0 HA LYS A 96 3.894 -18.065 4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.304 -16.581 2.949 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.967 -16.351 3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.544 -18.621 2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.865 -19.103 2.816 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.731 -18.897 0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.627 -17.561 0.835 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.301 -15.976 0.821 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.478 -17.048 1.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.037 -16.572 -0.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.685 -18.224 -0.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.545 -17.186 -1.271 1.00 0.00 H new ATOM 1493 N ASP A 97 5.937 -19.434 5.484 1.00 0.00 N ATOM 1494 CA ASP A 97 6.989 -20.234 6.106 1.00 0.00 C ATOM 1495 C ASP A 97 7.189 -19.832 7.568 1.00 0.00 C ATOM 1496 O ASP A 97 6.542 -20.379 8.462 1.00 0.00 O ATOM 1497 CB ASP A 97 8.299 -20.089 5.325 1.00 0.00 C ATOM 1498 CG ASP A 97 8.482 -21.184 4.293 1.00 0.00 C ATOM 1499 OD1 ASP A 97 7.478 -21.583 3.666 1.00 0.00 O ATOM 1500 OD2 ASP A 97 9.630 -21.643 4.111 1.00 0.00 O ATOM 0 H ASP A 97 5.239 -19.979 4.978 1.00 0.00 H new ATOM 0 HA ASP A 97 6.682 -21.280 6.083 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.317 -19.119 4.828 1.00 0.00 H new ATOM 0 HB3 ASP A 97 9.137 -20.106 6.021 1.00 0.00 H new ATOM 1505 N ASP A 98 8.080 -18.871 7.810 1.00 0.00 N ATOM 1506 CA ASP A 98 8.342 -18.406 9.167 1.00 0.00 C ATOM 1507 C ASP A 98 8.507 -16.887 9.221 1.00 0.00 C ATOM 1508 O ASP A 98 8.798 -16.329 10.279 1.00 0.00 O ATOM 1509 CB ASP A 98 9.590 -19.087 9.730 1.00 0.00 C ATOM 1510 CG ASP A 98 9.540 -20.596 9.588 1.00 0.00 C ATOM 1511 OD1 ASP A 98 8.620 -21.216 10.163 1.00 0.00 O ATOM 1512 OD2 ASP A 98 10.419 -21.158 8.903 1.00 0.00 O ATOM 0 H ASP A 98 8.628 -18.403 7.088 1.00 0.00 H new ATOM 0 HA ASP A 98 7.479 -18.672 9.778 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.472 -18.706 9.215 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.698 -18.827 10.783 1.00 0.00 H new ATOM 1517 N LEU A 99 8.307 -16.218 8.088 1.00 0.00 N ATOM 1518 CA LEU A 99 8.424 -14.766 8.035 1.00 0.00 C ATOM 1519 C LEU A 99 7.111 -14.125 8.463 1.00 0.00 C ATOM 1520 O LEU A 99 6.035 -14.597 8.097 1.00 0.00 O ATOM 1521 CB LEU A 99 8.794 -14.307 6.624 1.00 0.00 C ATOM 1522 CG LEU A 99 10.076 -14.917 6.058 1.00 0.00 C ATOM 1523 CD1 LEU A 99 10.119 -14.752 4.548 1.00 0.00 C ATOM 1524 CD2 LEU A 99 11.298 -14.281 6.701 1.00 0.00 C ATOM 0 H LEU A 99 8.065 -16.657 7.200 1.00 0.00 H new ATOM 0 HA LEU A 99 9.215 -14.456 8.718 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.969 -14.547 5.953 1.00 0.00 H new ATOM 0 HB3 LEU A 99 8.897 -13.222 6.627 1.00 0.00 H new ATOM 0 HG LEU A 99 10.084 -15.982 6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.038 -15.191 4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.260 -15.254 4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 99 10.090 -13.692 4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.202 -14.728 6.286 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.298 -13.209 6.501 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.272 -14.449 7.778 1.00 0.00 H new ATOM 1536 N VAL A 100 7.197 -13.055 9.245 1.00 0.00 N ATOM 1537 CA VAL A 100 5.997 -12.379 9.714 1.00 0.00 C ATOM 1538 C VAL A 100 5.952 -10.921 9.294 1.00 0.00 C ATOM 1539 O VAL A 100 6.920 -10.369 8.772 1.00 0.00 O ATOM 1540 CB VAL A 100 5.850 -12.446 11.245 1.00 0.00 C ATOM 1541 CG1 VAL A 100 5.698 -13.883 11.718 1.00 0.00 C ATOM 1542 CG2 VAL A 100 7.023 -11.770 11.934 1.00 0.00 C ATOM 0 H VAL A 100 8.074 -12.642 9.563 1.00 0.00 H new ATOM 0 HA VAL A 100 5.170 -12.914 9.247 1.00 0.00 H new ATOM 0 HB VAL A 100 4.943 -11.906 11.517 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.596 -13.900 12.803 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.811 -14.324 11.263 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.578 -14.457 11.427 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.895 -11.831 13.015 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.949 -12.270 11.650 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.068 -10.723 11.633 1.00 0.00 H new ATOM 1552 N LEU A 101 4.803 -10.310 9.541 1.00 0.00 N ATOM 1553 CA LEU A 101 4.571 -8.917 9.214 1.00 0.00 C ATOM 1554 C LEU A 101 4.385 -8.106 10.491 1.00 0.00 C ATOM 1555 O LEU A 101 3.517 -8.414 11.306 1.00 0.00 O ATOM 1556 CB LEU A 101 3.326 -8.804 8.337 1.00 0.00 C ATOM 1557 CG LEU A 101 3.416 -9.511 6.985 1.00 0.00 C ATOM 1558 CD1 LEU A 101 2.026 -9.797 6.438 1.00 0.00 C ATOM 1559 CD2 LEU A 101 4.215 -8.672 6.003 1.00 0.00 C ATOM 0 H LEU A 101 4.004 -10.771 9.976 1.00 0.00 H new ATOM 0 HA LEU A 101 5.432 -8.524 8.672 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.476 -9.211 8.886 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.118 -7.748 8.164 1.00 0.00 H new ATOM 0 HG LEU A 101 3.930 -10.462 7.125 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.110 -10.301 5.475 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.485 -10.436 7.136 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.485 -8.859 6.311 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.271 -9.188 5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.727 -7.707 5.868 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.222 -8.518 6.391 1.00 0.00 H new ATOM 1571 N VAL A 102 5.201 -7.074 10.666 1.00 0.00 N ATOM 1572 CA VAL A 102 5.113 -6.234 11.856 1.00 0.00 C ATOM 1573 C VAL A 102 4.570 -4.851 11.518 1.00 0.00 C ATOM 1574 O VAL A 102 4.982 -4.242 10.531 1.00 0.00 O ATOM 1575 CB VAL A 102 6.485 -6.073 12.538 1.00 0.00 C ATOM 1576 CG1 VAL A 102 6.333 -5.376 13.882 1.00 0.00 C ATOM 1577 CG2 VAL A 102 7.169 -7.422 12.704 1.00 0.00 C ATOM 0 H VAL A 102 5.927 -6.799 10.004 1.00 0.00 H new ATOM 0 HA VAL A 102 4.429 -6.736 12.540 1.00 0.00 H new ATOM 0 HB VAL A 102 7.114 -5.453 11.899 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.312 -5.271 14.350 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.894 -4.390 13.733 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.684 -5.968 14.528 1.00 0.00 H new ATOM 0 HG21 VAL A 102 8.136 -7.283 13.188 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.546 -8.073 13.318 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.316 -7.879 11.725 1.00 0.00 H new ATOM 1587 N PRO A 103 3.641 -4.324 12.338 1.00 0.00 N ATOM 1588 CA PRO A 103 3.057 -2.998 12.120 1.00 0.00 C ATOM 1589 C PRO A 103 4.130 -1.951 11.844 1.00 0.00 C ATOM 1590 O PRO A 103 5.047 -1.761 12.643 1.00 0.00 O ATOM 1591 CB PRO A 103 2.329 -2.694 13.441 1.00 0.00 C ATOM 1592 CG PRO A 103 2.735 -3.779 14.390 1.00 0.00 C ATOM 1593 CD PRO A 103 3.094 -4.961 13.541 1.00 0.00 C ATOM 0 HA PRO A 103 2.397 -2.976 11.253 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.609 -1.713 13.825 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.248 -2.683 13.298 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.582 -3.466 15.000 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.922 -4.023 15.074 1.00 0.00 H new ATOM 0 HD2 PRO A 103 3.825 -5.605 14.029 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.225 -5.579 13.315 1.00 0.00 H new ATOM 1601 N LEU A 104 4.015 -1.288 10.700 1.00 0.00 N ATOM 1602 CA LEU A 104 4.982 -0.272 10.306 1.00 0.00 C ATOM 1603 C LEU A 104 4.303 1.064 10.018 1.00 0.00 C ATOM 1604 O LEU A 104 4.825 2.124 10.363 1.00 0.00 O ATOM 1605 CB LEU A 104 5.757 -0.751 9.074 1.00 0.00 C ATOM 1606 CG LEU A 104 6.898 0.159 8.617 1.00 0.00 C ATOM 1607 CD1 LEU A 104 7.714 0.648 9.805 1.00 0.00 C ATOM 1608 CD2 LEU A 104 7.789 -0.568 7.621 1.00 0.00 C ATOM 0 H LEU A 104 3.261 -1.436 10.029 1.00 0.00 H new ATOM 0 HA LEU A 104 5.673 -0.118 11.134 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.166 -1.739 9.286 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.055 -0.867 8.248 1.00 0.00 H new ATOM 0 HG LEU A 104 6.463 1.029 8.125 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.519 1.293 9.453 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.070 1.208 10.483 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.138 -0.207 10.332 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.596 0.093 7.305 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.210 -1.457 8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.200 -0.862 6.752 1.00 0.00 H new ATOM 1620 N THR A 105 3.139 1.007 9.377 1.00 0.00 N ATOM 1621 CA THR A 105 2.392 2.213 9.035 1.00 0.00 C ATOM 1622 C THR A 105 0.900 1.925 8.960 1.00 0.00 C ATOM 1623 O THR A 105 0.492 0.811 8.643 1.00 0.00 O ATOM 1624 CB THR A 105 2.880 2.778 7.700 1.00 0.00 C ATOM 1625 OG1 THR A 105 4.119 2.195 7.331 1.00 0.00 O ATOM 1626 CG2 THR A 105 3.068 4.274 7.703 1.00 0.00 C ATOM 0 H THR A 105 2.693 0.138 9.084 1.00 0.00 H new ATOM 0 HA THR A 105 2.563 2.950 9.819 1.00 0.00 H new ATOM 0 HB THR A 105 2.092 2.533 6.988 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.414 2.568 6.474 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.415 4.599 6.722 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.119 4.759 7.931 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.806 4.546 8.458 1.00 0.00 H new ATOM 1634 N THR A 106 0.093 2.938 9.255 1.00 0.00 N ATOM 1635 CA THR A 106 -1.355 2.795 9.217 1.00 0.00 C ATOM 1636 C THR A 106 -2.020 4.106 8.807 1.00 0.00 C ATOM 1637 O THR A 106 -2.071 5.056 9.587 1.00 0.00 O ATOM 1638 CB THR A 106 -1.881 2.348 10.582 1.00 0.00 C ATOM 1639 OG1 THR A 106 -1.289 1.121 10.971 1.00 0.00 O ATOM 1640 CG2 THR A 106 -3.383 2.163 10.613 1.00 0.00 C ATOM 0 H THR A 106 0.418 3.867 9.523 1.00 0.00 H new ATOM 0 HA THR A 106 -1.601 2.035 8.475 1.00 0.00 H new ATOM 0 HB THR A 106 -1.615 3.150 11.270 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.637 0.853 11.847 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.690 1.846 11.610 1.00 0.00 H new ATOM 0 HG22 THR A 106 -3.871 3.106 10.366 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.671 1.404 9.886 1.00 0.00 H new ATOM 1648 N LYS A 107 -2.525 4.151 7.578 1.00 0.00 N ATOM 1649 CA LYS A 107 -3.184 5.347 7.068 1.00 0.00 C ATOM 1650 C LYS A 107 -4.536 5.006 6.448 1.00 0.00 C ATOM 1651 O LYS A 107 -4.652 4.053 5.676 1.00 0.00 O ATOM 1652 CB LYS A 107 -2.295 6.043 6.034 1.00 0.00 C ATOM 1653 CG LYS A 107 -2.315 7.559 6.138 1.00 0.00 C ATOM 1654 CD LYS A 107 -0.922 8.150 5.983 1.00 0.00 C ATOM 1655 CE LYS A 107 -0.362 8.615 7.318 1.00 0.00 C ATOM 1656 NZ LYS A 107 -0.928 9.930 7.729 1.00 0.00 N ATOM 0 H LYS A 107 -2.490 3.374 6.918 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.352 6.022 7.907 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -1.270 5.692 6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.617 5.751 5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -2.972 7.968 5.370 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -2.730 7.853 7.102 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.256 7.405 5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.957 8.990 5.290 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.581 7.870 8.083 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.723 8.692 7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -0.521 10.212 8.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -0.697 10.647 7.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.961 9.850 7.819 1.00 0.00 H new ATOM 1670 N VAL A 108 -5.554 5.788 6.791 1.00 0.00 N ATOM 1671 CA VAL A 108 -6.899 5.569 6.269 1.00 0.00 C ATOM 1672 C VAL A 108 -7.208 6.530 5.126 1.00 0.00 C ATOM 1673 O VAL A 108 -6.817 7.697 5.160 1.00 0.00 O ATOM 1674 CB VAL A 108 -7.962 5.740 7.370 1.00 0.00 C ATOM 1675 CG1 VAL A 108 -9.330 5.305 6.866 1.00 0.00 C ATOM 1676 CG2 VAL A 108 -7.572 4.961 8.616 1.00 0.00 C ATOM 0 H VAL A 108 -5.474 6.580 7.429 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.932 4.545 5.898 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.017 6.796 7.633 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -10.067 5.433 7.658 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -9.611 5.913 6.006 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -9.293 4.256 6.572 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.336 5.094 9.382 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.485 3.902 8.371 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.615 5.327 8.989 1.00 0.00 H new ATOM 1686 N VAL A 109 -7.912 6.031 4.116 1.00 0.00 N ATOM 1687 CA VAL A 109 -8.276 6.845 2.962 1.00 0.00 C ATOM 1688 C VAL A 109 -9.676 6.502 2.464 1.00 0.00 C ATOM 1689 O VAL A 109 -9.926 5.388 2.003 1.00 0.00 O ATOM 1690 CB VAL A 109 -7.274 6.663 1.806 1.00 0.00 C ATOM 1691 CG1 VAL A 109 -7.546 7.669 0.698 1.00 0.00 C ATOM 1692 CG2 VAL A 109 -5.845 6.788 2.314 1.00 0.00 C ATOM 0 H VAL A 109 -8.242 5.067 4.073 1.00 0.00 H new ATOM 0 HA VAL A 109 -8.255 7.884 3.291 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.402 5.662 1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.828 7.524 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.556 7.524 0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.449 8.680 1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.151 6.657 1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -5.701 7.774 2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.658 6.023 3.067 1.00 0.00 H new ATOM 1702 N GLY A 110 -10.586 7.466 2.560 1.00 0.00 N ATOM 1703 CA GLY A 110 -11.950 7.247 2.115 1.00 0.00 C ATOM 1704 C GLY A 110 -12.713 6.310 3.028 1.00 0.00 C ATOM 1705 O GLY A 110 -13.622 5.605 2.587 1.00 0.00 O ATOM 0 H GLY A 110 -10.403 8.395 2.938 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.470 8.203 2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -11.938 6.836 1.105 1.00 0.00 H new ATOM 1709 N GLY A 111 -12.345 6.300 4.304 1.00 0.00 N ATOM 1710 CA GLY A 111 -13.011 5.439 5.263 1.00 0.00 C ATOM 1711 C GLY A 111 -12.428 4.037 5.300 1.00 0.00 C ATOM 1712 O GLY A 111 -12.945 3.164 5.995 1.00 0.00 O ATOM 0 H GLY A 111 -11.596 6.874 4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -12.939 5.884 6.255 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -14.071 5.380 5.017 1.00 0.00 H new ATOM 1716 N SER A 112 -11.347 3.821 4.554 1.00 0.00 N ATOM 1717 CA SER A 112 -10.698 2.516 4.509 1.00 0.00 C ATOM 1718 C SER A 112 -9.283 2.593 5.072 1.00 0.00 C ATOM 1719 O SER A 112 -8.454 3.367 4.591 1.00 0.00 O ATOM 1720 CB SER A 112 -10.663 1.990 3.073 1.00 0.00 C ATOM 1721 OG SER A 112 -11.957 1.616 2.635 1.00 0.00 O ATOM 0 H SER A 112 -10.904 4.533 3.974 1.00 0.00 H new ATOM 0 HA SER A 112 -11.277 1.828 5.125 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.259 2.756 2.411 1.00 0.00 H new ATOM 0 HB3 SER A 112 -9.993 1.132 3.013 1.00 0.00 H new ATOM 0 HG SER A 112 -11.908 1.285 1.714 1.00 0.00 H new ATOM 1727 N ARG A 113 -9.013 1.785 6.092 1.00 0.00 N ATOM 1728 CA ARG A 113 -7.699 1.761 6.722 1.00 0.00 C ATOM 1729 C ARG A 113 -6.660 1.141 5.794 1.00 0.00 C ATOM 1730 O ARG A 113 -6.976 0.266 4.991 1.00 0.00 O ATOM 1731 CB ARG A 113 -7.755 0.977 8.036 1.00 0.00 C ATOM 1732 CG ARG A 113 -7.966 1.855 9.260 1.00 0.00 C ATOM 1733 CD ARG A 113 -8.414 1.037 10.461 1.00 0.00 C ATOM 1734 NE ARG A 113 -7.808 1.511 11.704 1.00 0.00 N ATOM 1735 CZ ARG A 113 -6.586 1.173 12.111 1.00 0.00 C ATOM 1736 NH1 ARG A 113 -5.833 0.364 11.376 1.00 0.00 N ATOM 1737 NH2 ARG A 113 -6.114 1.647 13.256 1.00 0.00 N ATOM 0 H ARG A 113 -9.688 1.138 6.500 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.406 2.790 6.930 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.562 0.247 7.980 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -6.827 0.418 8.156 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.039 2.377 9.499 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -8.713 2.617 9.038 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -9.500 1.083 10.546 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -8.151 -0.009 10.305 1.00 0.00 H new ATOM 0 HE ARG A 113 -8.354 2.138 12.295 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -6.189 -0.003 10.494 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -4.898 0.109 11.694 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -6.687 2.270 13.825 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -5.178 1.388 13.568 1.00 0.00 H new ATOM 1751 N CYS A 114 -5.419 1.597 5.912 1.00 0.00 N ATOM 1752 CA CYS A 114 -4.334 1.082 5.085 1.00 0.00 C ATOM 1753 C CYS A 114 -3.055 0.942 5.902 1.00 0.00 C ATOM 1754 O CYS A 114 -2.286 1.894 6.034 1.00 0.00 O ATOM 1755 CB CYS A 114 -4.090 2.005 3.889 1.00 0.00 C ATOM 1756 SG CYS A 114 -3.444 1.161 2.427 1.00 0.00 S ATOM 0 H CYS A 114 -5.139 2.322 6.572 1.00 0.00 H new ATOM 0 HA CYS A 114 -4.624 0.097 4.719 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -5.026 2.498 3.627 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -3.390 2.787 4.184 1.00 0.00 H new ATOM 0 HG CYS A 114 -3.272 2.023 1.469 1.00 0.00 H new ATOM 1762 N THR A 115 -2.834 -0.245 6.454 1.00 0.00 N ATOM 1763 CA THR A 115 -1.645 -0.491 7.260 1.00 0.00 C ATOM 1764 C THR A 115 -0.607 -1.295 6.487 1.00 0.00 C ATOM 1765 O THR A 115 -0.943 -2.202 5.725 1.00 0.00 O ATOM 1766 CB THR A 115 -2.006 -1.236 8.547 1.00 0.00 C ATOM 1767 OG1 THR A 115 -2.850 -0.444 9.364 1.00 0.00 O ATOM 1768 CG2 THR A 115 -0.799 -1.625 9.375 1.00 0.00 C ATOM 0 H THR A 115 -3.457 -1.047 6.359 1.00 0.00 H new ATOM 0 HA THR A 115 -1.219 0.480 7.512 1.00 0.00 H new ATOM 0 HB THR A 115 -2.510 -2.146 8.221 1.00 0.00 H new ATOM 0 HG1 THR A 115 -2.312 0.014 10.043 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.127 -2.149 10.273 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.151 -2.278 8.790 1.00 0.00 H new ATOM 0 HG23 THR A 115 -0.249 -0.728 9.659 1.00 0.00 H new ATOM 1776 N ILE A 116 0.660 -0.975 6.719 1.00 0.00 N ATOM 1777 CA ILE A 116 1.760 -1.686 6.079 1.00 0.00 C ATOM 1778 C ILE A 116 2.656 -2.288 7.143 1.00 0.00 C ATOM 1779 O ILE A 116 2.870 -1.692 8.198 1.00 0.00 O ATOM 1780 CB ILE A 116 2.609 -0.793 5.144 1.00 0.00 C ATOM 1781 CG1 ILE A 116 2.225 0.671 5.299 1.00 0.00 C ATOM 1782 CG2 ILE A 116 2.454 -1.238 3.699 1.00 0.00 C ATOM 1783 CD1 ILE A 116 2.787 1.572 4.217 1.00 0.00 C ATOM 0 H ILE A 116 0.952 -0.226 7.347 1.00 0.00 H new ATOM 0 HA ILE A 116 1.313 -2.461 5.456 1.00 0.00 H new ATOM 0 HB ILE A 116 3.656 -0.900 5.427 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.138 0.753 5.298 1.00 0.00 H new ATOM 0 HG13 ILE A 116 2.571 1.026 6.270 1.00 0.00 H new ATOM 0 HG21 ILE A 116 3.058 -0.599 3.055 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.786 -2.271 3.599 1.00 0.00 H new ATOM 0 HG23 ILE A 116 1.407 -1.163 3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.469 2.599 4.397 1.00 0.00 H new ATOM 0 HD12 ILE A 116 3.876 1.521 4.231 1.00 0.00 H new ATOM 0 HD13 ILE A 116 2.421 1.244 3.244 1.00 0.00 H new ATOM 1795 N CYS A 117 3.154 -3.483 6.880 1.00 0.00 N ATOM 1796 CA CYS A 117 3.999 -4.166 7.847 1.00 0.00 C ATOM 1797 C CYS A 117 5.272 -4.720 7.219 1.00 0.00 C ATOM 1798 O CYS A 117 5.233 -5.367 6.172 1.00 0.00 O ATOM 1799 CB CYS A 117 3.214 -5.306 8.495 1.00 0.00 C ATOM 1800 SG CYS A 117 1.797 -4.767 9.478 1.00 0.00 S ATOM 0 H CYS A 117 2.991 -3.998 6.014 1.00 0.00 H new ATOM 0 HA CYS A 117 4.296 -3.432 8.596 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.864 -5.981 7.714 1.00 0.00 H new ATOM 0 HB3 CYS A 117 3.887 -5.879 9.133 1.00 0.00 H new ATOM 0 HG CYS A 117 1.718 -5.487 10.557 1.00 0.00 H new ATOM 1806 N ASP A 118 6.398 -4.482 7.885 1.00 0.00 N ATOM 1807 CA ASP A 118 7.684 -4.977 7.416 1.00 0.00 C ATOM 1808 C ASP A 118 7.746 -6.493 7.561 1.00 0.00 C ATOM 1809 O ASP A 118 7.338 -7.043 8.585 1.00 0.00 O ATOM 1810 CB ASP A 118 8.825 -4.326 8.202 1.00 0.00 C ATOM 1811 CG ASP A 118 9.769 -3.545 7.308 1.00 0.00 C ATOM 1812 OD1 ASP A 118 9.321 -3.070 6.243 1.00 0.00 O ATOM 1813 OD2 ASP A 118 10.956 -3.409 7.673 1.00 0.00 O ATOM 0 H ASP A 118 6.444 -3.948 8.753 1.00 0.00 H new ATOM 0 HA ASP A 118 7.794 -4.718 6.363 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.409 -3.659 8.957 1.00 0.00 H new ATOM 0 HB3 ASP A 118 9.385 -5.097 8.731 1.00 0.00 H new ATOM 1818 N VAL A 119 8.253 -7.166 6.536 1.00 0.00 N ATOM 1819 CA VAL A 119 8.360 -8.616 6.563 1.00 0.00 C ATOM 1820 C VAL A 119 9.661 -9.037 7.227 1.00 0.00 C ATOM 1821 O VAL A 119 10.746 -8.773 6.710 1.00 0.00 O ATOM 1822 CB VAL A 119 8.291 -9.217 5.147 1.00 0.00 C ATOM 1823 CG1 VAL A 119 7.821 -10.660 5.206 1.00 0.00 C ATOM 1824 CG2 VAL A 119 7.377 -8.390 4.250 1.00 0.00 C ATOM 0 H VAL A 119 8.595 -6.731 5.679 1.00 0.00 H new ATOM 0 HA VAL A 119 7.515 -8.994 7.138 1.00 0.00 H new ATOM 0 HB VAL A 119 9.293 -9.197 4.718 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.778 -11.070 4.197 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.518 -11.245 5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 119 6.830 -10.702 5.657 1.00 0.00 H new ATOM 0 HG21 VAL A 119 7.344 -8.834 3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 119 6.372 -8.372 4.672 1.00 0.00 H new ATOM 0 HG23 VAL A 119 7.760 -7.372 4.180 1.00 0.00 H new ATOM 1834 N VAL A 120 9.551 -9.678 8.384 1.00 0.00 N ATOM 1835 CA VAL A 120 10.732 -10.113 9.119 1.00 0.00 C ATOM 1836 C VAL A 120 10.631 -11.578 9.524 1.00 0.00 C ATOM 1837 O VAL A 120 9.546 -12.083 9.808 1.00 0.00 O ATOM 1838 CB VAL A 120 10.956 -9.247 10.375 1.00 0.00 C ATOM 1839 CG1 VAL A 120 11.823 -8.044 10.042 1.00 0.00 C ATOM 1840 CG2 VAL A 120 9.627 -8.799 10.967 1.00 0.00 C ATOM 0 H VAL A 120 8.663 -9.907 8.831 1.00 0.00 H new ATOM 0 HA VAL A 120 11.583 -9.995 8.448 1.00 0.00 H new ATOM 0 HB VAL A 120 11.473 -9.852 11.120 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.972 -7.443 10.939 1.00 0.00 H new ATOM 0 HG12 VAL A 120 12.789 -8.384 9.669 1.00 0.00 H new ATOM 0 HG13 VAL A 120 11.331 -7.441 9.279 1.00 0.00 H new ATOM 0 HG21 VAL A 120 9.810 -8.190 11.852 1.00 0.00 H new ATOM 0 HG22 VAL A 120 9.079 -8.212 10.229 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.039 -9.674 11.244 1.00 0.00 H new ATOM 1850 N LYS A 121 11.774 -12.256 9.540 1.00 0.00 N ATOM 1851 CA LYS A 121 11.824 -13.667 9.901 1.00 0.00 C ATOM 1852 C LYS A 121 11.653 -13.856 11.404 1.00 0.00 C ATOM 1853 O LYS A 121 12.236 -13.123 12.205 1.00 0.00 O ATOM 1854 CB LYS A 121 13.149 -14.281 9.445 1.00 0.00 C ATOM 1855 CG LYS A 121 13.260 -15.770 9.730 1.00 0.00 C ATOM 1856 CD LYS A 121 14.162 -16.464 8.721 1.00 0.00 C ATOM 1857 CE LYS A 121 13.358 -17.106 7.603 1.00 0.00 C ATOM 1858 NZ LYS A 121 12.511 -18.226 8.099 1.00 0.00 N ATOM 0 H LYS A 121 12.680 -11.849 9.306 1.00 0.00 H new ATOM 0 HA LYS A 121 11.001 -14.174 9.397 1.00 0.00 H new ATOM 0 HB2 LYS A 121 13.267 -14.115 8.374 1.00 0.00 H new ATOM 0 HB3 LYS A 121 13.970 -13.763 9.941 1.00 0.00 H new ATOM 0 HG2 LYS A 121 13.653 -15.921 10.735 1.00 0.00 H new ATOM 0 HG3 LYS A 121 12.268 -16.222 9.704 1.00 0.00 H new ATOM 0 HD2 LYS A 121 14.861 -15.742 8.299 1.00 0.00 H new ATOM 0 HD3 LYS A 121 14.756 -17.225 9.226 1.00 0.00 H new ATOM 0 HE2 LYS A 121 12.725 -16.353 7.133 1.00 0.00 H new ATOM 0 HE3 LYS A 121 14.037 -17.477 6.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 12.917 -19.132 7.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 12.474 -18.200 9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 11.549 -18.129 7.716 1.00 0.00 H new ATOM 1872 N GLU A 122 10.849 -14.844 11.780 1.00 0.00 N ATOM 1873 CA GLU A 122 10.597 -15.135 13.187 1.00 0.00 C ATOM 1874 C GLU A 122 11.725 -15.974 13.777 1.00 0.00 C ATOM 1875 O GLU A 122 12.034 -17.057 13.278 1.00 0.00 O ATOM 1876 CB GLU A 122 9.263 -15.866 13.345 1.00 0.00 C ATOM 1877 CG GLU A 122 8.914 -16.196 14.787 1.00 0.00 C ATOM 1878 CD GLU A 122 8.220 -15.048 15.496 1.00 0.00 C ATOM 1879 OE1 GLU A 122 7.266 -14.486 14.921 1.00 0.00 O ATOM 1880 OE2 GLU A 122 8.633 -14.714 16.626 1.00 0.00 O ATOM 0 H GLU A 122 10.360 -15.458 11.129 1.00 0.00 H new ATOM 0 HA GLU A 122 10.551 -14.190 13.728 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.469 -15.251 12.920 1.00 0.00 H new ATOM 0 HB3 GLU A 122 9.294 -16.790 12.768 1.00 0.00 H new ATOM 0 HG2 GLU A 122 8.270 -17.075 14.809 1.00 0.00 H new ATOM 0 HG3 GLU A 122 9.825 -16.455 15.327 1.00 0.00 H new