USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 552 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 58 ASN : amide:sc= 0.592 K(o=2.1,f=0.24) USER MOD Set 1.2: A 69 THR OG1 : rot 29:sc= 1.48 USER MOD Set 2.1: A 40 SER OG : rot 180:sc= 1.46 USER MOD Set 2.2: A 43 THR OG1 : rot 69:sc= 1.22 USER MOD Set 3.1: A 26 THR OG1 : rot -80:sc= 1.88 USER MOD Set 3.2: A 68 TYR OH : rot 56:sc= 1.71 USER MOD Set 4.1: A 16 LYS NZ :NH3+ -169:sc=-0.000338 (180deg=-0.145) USER MOD Set 4.2: A 20 LYS NZ :NH3+ 168:sc=-0.00026 (180deg=-0.123) USER MOD Single : A 8 SER OG : rot -81:sc= 2.07 USER MOD Single : A 15 MET CE :methyl -174:sc= -1.11 (180deg=-1.27) USER MOD Single : A 21 HIS : no HD1:sc= 0.336 K(o=0.34,f=-8.4!) USER MOD Single : A 22 SER OG : rot 180:sc= 0.00207 USER MOD Single : A 23 SER OG : rot 6:sc= 0.304 USER MOD Single : A 25 ASN : amide:sc= 0.5 K(o=0.5,f=-8.2!) USER MOD Single : A 27 ASN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 86:sc= 1.23 USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= 0.533 (180deg=0.425) USER MOD Single : A 36 THR OG1 : rot -81:sc= 0.989 USER MOD Single : A 37 SER OG : rot 172:sc= 0 USER MOD Single : A 38 THR OG1 : rot 56:sc= 0.225 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 72:sc= 1.15 USER MOD Single : A 47 MET CE :methyl 171:sc= -0.0171 (180deg=-0.191) USER MOD Single : A 53 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0457) USER MOD Single : A 54 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0287) USER MOD Single : A 59 HIS : no HD1:sc= -0.655 K(o=-0.66,f=-3.4) USER MOD Single : A 60 HIS : no HD1:sc= 0.47 K(o=0.47,f=-4.5!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 133 N SER A 8 7.956 4.138 -5.564 1.00 0.00 N ATOM 134 CA SER A 8 8.711 3.474 -6.613 1.00 0.00 C ATOM 135 C SER A 8 7.651 2.710 -7.414 1.00 0.00 C ATOM 136 O SER A 8 6.505 2.657 -6.967 1.00 0.00 O ATOM 137 CB SER A 8 9.800 2.569 -6.021 1.00 0.00 C ATOM 138 OG SER A 8 9.255 1.655 -5.091 1.00 0.00 O ATOM 0 HA SER A 8 9.260 4.165 -7.253 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.298 2.023 -6.822 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.559 3.180 -5.532 1.00 0.00 H new ATOM 0 HG SER A 8 9.131 2.102 -4.227 1.00 0.00 H new ATOM 144 N ASP A 9 7.990 2.130 -8.569 1.00 0.00 N ATOM 145 CA ASP A 9 7.013 1.455 -9.424 1.00 0.00 C ATOM 146 C ASP A 9 6.091 0.504 -8.650 1.00 0.00 C ATOM 147 O ASP A 9 4.886 0.732 -8.572 1.00 0.00 O ATOM 148 CB ASP A 9 7.723 0.727 -10.570 1.00 0.00 C ATOM 149 CG ASP A 9 6.723 -0.046 -11.428 1.00 0.00 C ATOM 150 OD1 ASP A 9 6.102 0.602 -12.297 1.00 0.00 O ATOM 151 OD2 ASP A 9 6.593 -1.265 -11.187 1.00 0.00 O ATOM 0 H ASP A 9 8.942 2.116 -8.934 1.00 0.00 H new ATOM 0 HA ASP A 9 6.367 2.228 -9.840 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.258 1.448 -11.188 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.467 0.041 -10.165 1.00 0.00 H new ATOM 156 N ALA A 10 6.656 -0.555 -8.067 1.00 0.00 N ATOM 157 CA ALA A 10 5.876 -1.553 -7.345 1.00 0.00 C ATOM 158 C ALA A 10 5.051 -0.915 -6.225 1.00 0.00 C ATOM 159 O ALA A 10 3.859 -1.189 -6.089 1.00 0.00 O ATOM 160 CB ALA A 10 6.801 -2.642 -6.805 1.00 0.00 C ATOM 0 H ALA A 10 7.659 -0.741 -8.083 1.00 0.00 H new ATOM 0 HA ALA A 10 5.169 -2.009 -8.038 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.213 -3.385 -6.266 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.321 -3.122 -7.634 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.531 -2.197 -6.128 1.00 0.00 H new ATOM 166 N GLU A 11 5.683 -0.047 -5.430 1.00 0.00 N ATOM 167 CA GLU A 11 4.998 0.655 -4.357 1.00 0.00 C ATOM 168 C GLU A 11 3.825 1.466 -4.910 1.00 0.00 C ATOM 169 O GLU A 11 2.789 1.561 -4.262 1.00 0.00 O ATOM 170 CB GLU A 11 5.971 1.564 -3.606 1.00 0.00 C ATOM 171 CG GLU A 11 6.995 0.759 -2.800 1.00 0.00 C ATOM 172 CD GLU A 11 7.927 1.688 -2.029 1.00 0.00 C ATOM 173 OE1 GLU A 11 8.505 2.577 -2.695 1.00 0.00 O ATOM 174 OE2 GLU A 11 8.060 1.482 -0.805 1.00 0.00 O ATOM 0 H GLU A 11 6.673 0.183 -5.515 1.00 0.00 H new ATOM 0 HA GLU A 11 4.606 -0.083 -3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.491 2.206 -4.317 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.414 2.218 -2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.478 0.096 -2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.577 0.127 -3.471 1.00 0.00 H new ATOM 181 N LEU A 12 3.974 2.059 -6.096 1.00 0.00 N ATOM 182 CA LEU A 12 2.912 2.836 -6.707 1.00 0.00 C ATOM 183 C LEU A 12 1.801 1.904 -7.200 1.00 0.00 C ATOM 184 O LEU A 12 0.634 2.212 -6.986 1.00 0.00 O ATOM 185 CB LEU A 12 3.491 3.777 -7.774 1.00 0.00 C ATOM 186 CG LEU A 12 2.504 4.772 -8.408 1.00 0.00 C ATOM 187 CD1 LEU A 12 1.655 4.163 -9.527 1.00 0.00 C ATOM 188 CD2 LEU A 12 1.616 5.469 -7.367 1.00 0.00 C ATOM 0 H LEU A 12 4.829 2.011 -6.650 1.00 0.00 H new ATOM 0 HA LEU A 12 2.440 3.490 -5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.308 4.343 -7.325 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.923 3.169 -8.569 1.00 0.00 H new ATOM 0 HG LEU A 12 3.135 5.531 -8.870 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.982 4.922 -9.927 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.307 3.800 -10.322 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.070 3.333 -9.130 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.939 6.160 -7.870 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.036 4.722 -6.825 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.242 6.021 -6.666 1.00 0.00 H new ATOM 200 N GLU A 13 2.119 0.761 -7.825 1.00 0.00 N ATOM 201 CA GLU A 13 1.094 -0.218 -8.200 1.00 0.00 C ATOM 202 C GLU A 13 0.250 -0.551 -6.970 1.00 0.00 C ATOM 203 O GLU A 13 -0.980 -0.534 -6.994 1.00 0.00 O ATOM 204 CB GLU A 13 1.751 -1.511 -8.699 1.00 0.00 C ATOM 205 CG GLU A 13 2.490 -1.296 -10.027 1.00 0.00 C ATOM 206 CD GLU A 13 1.545 -0.895 -11.159 1.00 0.00 C ATOM 207 OE1 GLU A 13 0.718 -1.750 -11.545 1.00 0.00 O ATOM 208 OE2 GLU A 13 1.649 0.267 -11.610 1.00 0.00 O ATOM 0 H GLU A 13 3.070 0.495 -8.079 1.00 0.00 H new ATOM 0 HA GLU A 13 0.475 0.205 -8.991 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.451 -1.877 -7.948 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.990 -2.280 -8.827 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.247 -0.523 -9.898 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.014 -2.212 -10.301 1.00 0.00 H new ATOM 215 N VAL A 14 0.956 -0.859 -5.887 1.00 0.00 N ATOM 216 CA VAL A 14 0.375 -1.127 -4.591 1.00 0.00 C ATOM 217 C VAL A 14 -0.532 0.036 -4.201 1.00 0.00 C ATOM 218 O VAL A 14 -1.722 -0.167 -4.002 1.00 0.00 O ATOM 219 CB VAL A 14 1.541 -1.381 -3.624 1.00 0.00 C ATOM 220 CG1 VAL A 14 1.237 -1.047 -2.160 1.00 0.00 C ATOM 221 CG2 VAL A 14 2.056 -2.799 -3.852 1.00 0.00 C ATOM 0 H VAL A 14 1.974 -0.929 -5.894 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.264 -2.010 -4.578 1.00 0.00 H new ATOM 0 HB VAL A 14 2.341 -0.677 -3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.115 -1.257 -1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.978 0.008 -2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.401 -1.655 -1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.885 -2.998 -3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.254 -3.512 -3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.397 -2.901 -4.882 1.00 0.00 H new ATOM 231 N MET A 15 0.000 1.254 -4.126 1.00 0.00 N ATOM 232 CA MET A 15 -0.759 2.437 -3.748 1.00 0.00 C ATOM 233 C MET A 15 -2.038 2.582 -4.570 1.00 0.00 C ATOM 234 O MET A 15 -3.108 2.797 -4.008 1.00 0.00 O ATOM 235 CB MET A 15 0.135 3.663 -3.900 1.00 0.00 C ATOM 236 CG MET A 15 1.236 3.661 -2.838 1.00 0.00 C ATOM 237 SD MET A 15 1.020 4.896 -1.531 1.00 0.00 S ATOM 238 CE MET A 15 -0.660 4.504 -0.976 1.00 0.00 C ATOM 0 H MET A 15 0.981 1.446 -4.329 1.00 0.00 H new ATOM 0 HA MET A 15 -1.072 2.337 -2.709 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.581 3.673 -4.894 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.463 4.570 -3.810 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.282 2.672 -2.382 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.195 3.831 -3.327 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.984 5.245 -0.245 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.337 4.517 -1.830 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.671 3.514 -0.519 1.00 0.00 H new ATOM 248 N LYS A 16 -1.923 2.458 -5.892 1.00 0.00 N ATOM 249 CA LYS A 16 -3.042 2.503 -6.815 1.00 0.00 C ATOM 250 C LYS A 16 -4.103 1.498 -6.372 1.00 0.00 C ATOM 251 O LYS A 16 -5.271 1.854 -6.240 1.00 0.00 O ATOM 252 CB LYS A 16 -2.517 2.237 -8.232 1.00 0.00 C ATOM 253 CG LYS A 16 -3.622 2.108 -9.283 1.00 0.00 C ATOM 254 CD LYS A 16 -2.982 1.674 -10.606 1.00 0.00 C ATOM 255 CE LYS A 16 -4.036 1.455 -11.691 1.00 0.00 C ATOM 256 NZ LYS A 16 -4.960 0.354 -11.368 1.00 0.00 N ATOM 0 H LYS A 16 -1.025 2.320 -6.356 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.518 3.484 -6.818 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.847 3.047 -8.520 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.926 1.321 -8.225 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.366 1.378 -8.964 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.141 3.059 -9.406 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.272 2.433 -10.934 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.418 0.754 -10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.606 2.374 -11.830 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.539 1.242 -12.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.532 0.123 -12.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.415 -0.483 -11.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.587 0.644 -10.590 1.00 0.00 H new ATOM 270 N VAL A 17 -3.700 0.246 -6.145 1.00 0.00 N ATOM 271 CA VAL A 17 -4.610 -0.791 -5.681 1.00 0.00 C ATOM 272 C VAL A 17 -5.244 -0.379 -4.343 1.00 0.00 C ATOM 273 O VAL A 17 -6.468 -0.368 -4.220 1.00 0.00 O ATOM 274 CB VAL A 17 -3.864 -2.139 -5.645 1.00 0.00 C ATOM 275 CG1 VAL A 17 -4.604 -3.203 -4.831 1.00 0.00 C ATOM 276 CG2 VAL A 17 -3.674 -2.651 -7.080 1.00 0.00 C ATOM 0 H VAL A 17 -2.740 -0.071 -6.278 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.445 -0.918 -6.370 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.904 -1.964 -5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.032 -4.131 -4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.721 -2.859 -3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.587 -3.378 -5.269 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.147 -3.605 -7.059 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.648 -2.785 -7.550 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.092 -1.927 -7.651 1.00 0.00 H new ATOM 286 N ILE A 18 -4.428 -0.009 -3.351 1.00 0.00 N ATOM 287 CA ILE A 18 -4.893 0.395 -2.028 1.00 0.00 C ATOM 288 C ILE A 18 -5.961 1.485 -2.144 1.00 0.00 C ATOM 289 O ILE A 18 -7.034 1.358 -1.558 1.00 0.00 O ATOM 290 CB ILE A 18 -3.707 0.829 -1.137 1.00 0.00 C ATOM 291 CG1 ILE A 18 -2.781 -0.375 -0.868 1.00 0.00 C ATOM 292 CG2 ILE A 18 -4.222 1.444 0.174 1.00 0.00 C ATOM 293 CD1 ILE A 18 -1.704 -0.128 0.194 1.00 0.00 C ATOM 0 H ILE A 18 -3.413 0.017 -3.450 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.358 -0.463 -1.542 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.128 1.592 -1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.391 -1.223 -0.557 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.294 -0.658 -1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.376 1.745 0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.836 2.316 -0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.820 0.708 0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.101 -1.028 0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.065 0.697 -0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.179 0.123 1.143 1.00 0.00 H new ATOM 305 N TRP A 19 -5.680 2.541 -2.911 1.00 0.00 N ATOM 306 CA TRP A 19 -6.574 3.675 -3.096 1.00 0.00 C ATOM 307 C TRP A 19 -7.956 3.296 -3.648 1.00 0.00 C ATOM 308 O TRP A 19 -8.869 4.117 -3.583 1.00 0.00 O ATOM 309 CB TRP A 19 -5.878 4.758 -3.939 1.00 0.00 C ATOM 310 CG TRP A 19 -4.801 5.558 -3.254 1.00 0.00 C ATOM 311 CD1 TRP A 19 -4.881 6.060 -1.999 1.00 0.00 C ATOM 312 CD2 TRP A 19 -3.516 6.027 -3.778 1.00 0.00 C ATOM 313 NE1 TRP A 19 -3.741 6.773 -1.699 1.00 0.00 N ATOM 314 CE2 TRP A 19 -2.861 6.774 -2.756 1.00 0.00 C ATOM 315 CE3 TRP A 19 -2.845 5.936 -5.018 1.00 0.00 C ATOM 316 CZ2 TRP A 19 -1.595 7.346 -2.929 1.00 0.00 C ATOM 317 CZ3 TRP A 19 -1.562 6.489 -5.198 1.00 0.00 C ATOM 318 CH2 TRP A 19 -0.921 7.162 -4.142 1.00 0.00 C ATOM 0 H TRP A 19 -4.806 2.629 -3.429 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.785 4.083 -2.107 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.441 4.279 -4.815 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.639 5.450 -4.300 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -5.717 5.921 -1.330 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -3.571 7.240 -0.808 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -3.325 5.433 -5.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -1.143 7.923 -2.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -1.067 6.396 -6.153 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.085 7.534 -4.266 1.00 0.00 H new ATOM 329 N LYS A 20 -8.148 2.089 -4.196 1.00 0.00 N ATOM 330 CA LYS A 20 -9.480 1.670 -4.622 1.00 0.00 C ATOM 331 C LYS A 20 -10.366 1.374 -3.404 1.00 0.00 C ATOM 332 O LYS A 20 -11.588 1.455 -3.501 1.00 0.00 O ATOM 333 CB LYS A 20 -9.402 0.443 -5.541 1.00 0.00 C ATOM 334 CG LYS A 20 -8.486 0.633 -6.757 1.00 0.00 C ATOM 335 CD LYS A 20 -8.864 1.864 -7.594 1.00 0.00 C ATOM 336 CE LYS A 20 -8.059 1.953 -8.896 1.00 0.00 C ATOM 337 NZ LYS A 20 -8.396 0.867 -9.834 1.00 0.00 N ATOM 0 H LYS A 20 -7.411 1.401 -4.351 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.928 2.488 -5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.048 -0.410 -4.962 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.405 0.198 -5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.455 0.731 -6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.532 -0.257 -7.385 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.928 1.828 -7.829 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.698 2.766 -7.005 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.248 2.915 -9.373 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.994 1.915 -8.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.988 1.076 -10.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.008 -0.031 -9.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.430 0.789 -9.917 1.00 0.00 H new ATOM 351 N HIS A 21 -9.757 1.003 -2.272 1.00 0.00 N ATOM 352 CA HIS A 21 -10.445 0.681 -1.027 1.00 0.00 C ATOM 353 C HIS A 21 -10.403 1.900 -0.089 1.00 0.00 C ATOM 354 O HIS A 21 -9.604 2.810 -0.301 1.00 0.00 O ATOM 355 CB HIS A 21 -9.764 -0.552 -0.414 1.00 0.00 C ATOM 356 CG HIS A 21 -10.632 -1.358 0.523 1.00 0.00 C ATOM 357 ND1 HIS A 21 -11.746 -0.819 1.174 1.00 0.00 N ATOM 358 CD2 HIS A 21 -10.511 -2.676 0.877 1.00 0.00 C ATOM 359 CE1 HIS A 21 -12.231 -1.827 1.907 1.00 0.00 C ATOM 360 NE2 HIS A 21 -11.529 -2.963 1.759 1.00 0.00 N ATOM 0 H HIS A 21 -8.743 0.918 -2.200 1.00 0.00 H new ATOM 0 HA HIS A 21 -11.495 0.447 -1.200 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.426 -1.201 -1.222 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -8.875 -0.227 0.127 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -9.755 -3.364 0.528 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -13.095 -1.737 2.549 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -11.713 -3.859 2.210 1.00 0.00 H new ATOM 368 N SER A 22 -11.256 1.947 0.943 1.00 0.00 N ATOM 369 CA SER A 22 -11.292 3.070 1.882 1.00 0.00 C ATOM 370 C SER A 22 -9.956 3.124 2.628 1.00 0.00 C ATOM 371 O SER A 22 -9.272 4.144 2.666 1.00 0.00 O ATOM 372 CB SER A 22 -12.483 2.904 2.833 1.00 0.00 C ATOM 373 OG SER A 22 -13.635 2.552 2.090 1.00 0.00 O ATOM 0 H SER A 22 -11.934 1.213 1.147 1.00 0.00 H new ATOM 0 HA SER A 22 -11.427 4.016 1.357 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.266 2.134 3.574 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.658 3.831 3.379 1.00 0.00 H new ATOM 0 HG SER A 22 -14.396 2.444 2.698 1.00 0.00 H new ATOM 379 N SER A 23 -9.624 2.036 3.315 1.00 0.00 N ATOM 380 CA SER A 23 -8.245 1.744 3.667 1.00 0.00 C ATOM 381 C SER A 23 -8.099 0.279 3.244 1.00 0.00 C ATOM 382 O SER A 23 -8.956 -0.181 2.496 1.00 0.00 O ATOM 383 CB SER A 23 -8.041 2.047 5.151 1.00 0.00 C ATOM 384 OG SER A 23 -8.141 3.449 5.325 1.00 0.00 O ATOM 0 H SER A 23 -10.297 1.341 3.639 1.00 0.00 H new ATOM 0 HA SER A 23 -7.473 2.341 3.182 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.791 1.533 5.752 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.066 1.689 5.483 1.00 0.00 H new ATOM 0 HG SER A 23 -8.401 3.866 4.477 1.00 0.00 H new ATOM 390 N ILE A 24 -7.167 -0.521 3.761 1.00 0.00 N ATOM 391 CA ILE A 24 -7.155 -1.939 3.397 1.00 0.00 C ATOM 392 C ILE A 24 -6.549 -2.785 4.513 1.00 0.00 C ATOM 393 O ILE A 24 -5.543 -2.354 5.080 1.00 0.00 O ATOM 394 CB ILE A 24 -6.508 -2.106 2.010 1.00 0.00 C ATOM 395 CG1 ILE A 24 -6.703 -3.518 1.442 1.00 0.00 C ATOM 396 CG2 ILE A 24 -5.026 -1.731 2.064 1.00 0.00 C ATOM 397 CD1 ILE A 24 -6.667 -3.528 -0.091 1.00 0.00 C ATOM 0 H ILE A 24 -6.436 -0.228 4.409 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.170 -2.323 3.298 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.016 -1.424 1.328 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.924 -4.175 1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.657 -3.919 1.785 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.583 -1.854 1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.925 -0.693 2.380 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.513 -2.378 2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.809 -4.547 -0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.463 -2.892 -0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.703 -3.152 -0.435 1.00 0.00 H new ATOM 409 N ASN A 25 -7.122 -3.954 4.843 1.00 0.00 N ATOM 410 CA ASN A 25 -6.474 -4.852 5.795 1.00 0.00 C ATOM 411 C ASN A 25 -5.403 -5.649 5.062 1.00 0.00 C ATOM 412 O ASN A 25 -5.449 -5.818 3.843 1.00 0.00 O ATOM 413 CB ASN A 25 -7.407 -5.770 6.602 1.00 0.00 C ATOM 414 CG ASN A 25 -8.094 -6.872 5.810 1.00 0.00 C ATOM 415 OD1 ASN A 25 -7.432 -7.709 5.205 1.00 0.00 O ATOM 416 ND2 ASN A 25 -9.421 -6.927 5.858 1.00 0.00 N ATOM 0 H ASN A 25 -8.011 -4.288 4.472 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.036 -4.214 6.563 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.830 -6.230 7.404 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.173 -5.155 7.073 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.918 -7.681 5.383 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.943 -6.215 6.370 1.00 0.00 H new ATOM 423 N THR A 26 -4.433 -6.150 5.819 1.00 0.00 N ATOM 424 CA THR A 26 -3.316 -6.864 5.228 1.00 0.00 C ATOM 425 C THR A 26 -3.744 -8.068 4.383 1.00 0.00 C ATOM 426 O THR A 26 -3.207 -8.254 3.295 1.00 0.00 O ATOM 427 CB THR A 26 -2.280 -7.207 6.302 1.00 0.00 C ATOM 428 OG1 THR A 26 -1.959 -6.034 7.024 1.00 0.00 O ATOM 429 CG2 THR A 26 -0.995 -7.712 5.639 1.00 0.00 C ATOM 0 H THR A 26 -4.400 -6.074 6.836 1.00 0.00 H new ATOM 0 HA THR A 26 -2.837 -6.197 4.511 1.00 0.00 H new ATOM 0 HB THR A 26 -2.691 -7.972 6.961 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.311 -5.504 6.515 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.261 -7.955 6.407 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.215 -8.604 5.052 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.594 -6.937 4.986 1.00 0.00 H new ATOM 437 N ASN A 27 -4.706 -8.881 4.835 1.00 0.00 N ATOM 438 CA ASN A 27 -5.146 -10.032 4.047 1.00 0.00 C ATOM 439 C ASN A 27 -5.627 -9.570 2.671 1.00 0.00 C ATOM 440 O ASN A 27 -5.167 -10.082 1.650 1.00 0.00 O ATOM 441 CB ASN A 27 -6.228 -10.825 4.787 1.00 0.00 C ATOM 442 CG ASN A 27 -6.753 -11.967 3.921 1.00 0.00 C ATOM 443 OD1 ASN A 27 -6.238 -13.078 3.971 1.00 0.00 O ATOM 444 ND2 ASN A 27 -7.785 -11.711 3.121 1.00 0.00 N ATOM 0 H ASN A 27 -5.186 -8.765 5.727 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.300 -10.704 3.904 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.821 -11.225 5.716 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.049 -10.162 5.059 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.167 -12.449 2.529 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.194 -10.777 3.100 1.00 0.00 H new ATOM 451 N GLU A 28 -6.540 -8.592 2.653 1.00 0.00 N ATOM 452 CA GLU A 28 -7.034 -7.994 1.427 1.00 0.00 C ATOM 453 C GLU A 28 -5.854 -7.534 0.572 1.00 0.00 C ATOM 454 O GLU A 28 -5.818 -7.833 -0.615 1.00 0.00 O ATOM 455 CB GLU A 28 -7.920 -6.784 1.741 1.00 0.00 C ATOM 456 CG GLU A 28 -9.260 -7.125 2.399 1.00 0.00 C ATOM 457 CD GLU A 28 -9.996 -5.848 2.812 1.00 0.00 C ATOM 458 OE1 GLU A 28 -9.356 -5.010 3.485 1.00 0.00 O ATOM 459 OE2 GLU A 28 -11.182 -5.713 2.439 1.00 0.00 O ATOM 0 H GLU A 28 -6.953 -8.198 3.498 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.621 -8.739 0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.370 -6.109 2.397 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.113 -6.242 0.815 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.876 -7.699 1.707 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.093 -7.754 3.273 1.00 0.00 H new ATOM 466 N VAL A 29 -4.901 -6.803 1.160 1.00 0.00 N ATOM 467 CA VAL A 29 -3.769 -6.283 0.402 1.00 0.00 C ATOM 468 C VAL A 29 -2.962 -7.410 -0.250 1.00 0.00 C ATOM 469 O VAL A 29 -2.757 -7.384 -1.465 1.00 0.00 O ATOM 470 CB VAL A 29 -2.919 -5.313 1.265 1.00 0.00 C ATOM 471 CG1 VAL A 29 -1.513 -5.800 1.639 1.00 0.00 C ATOM 472 CG2 VAL A 29 -2.724 -3.995 0.510 1.00 0.00 C ATOM 0 H VAL A 29 -4.894 -6.562 2.151 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.149 -5.687 -0.428 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.488 -5.219 2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.013 -5.041 2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.588 -6.725 2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.937 -5.980 0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.127 -3.313 1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.210 -4.188 -0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.696 -3.544 0.308 1.00 0.00 H new ATOM 482 N ILE A 30 -2.514 -8.400 0.533 1.00 0.00 N ATOM 483 CA ILE A 30 -1.721 -9.499 -0.002 1.00 0.00 C ATOM 484 C ILE A 30 -2.512 -10.189 -1.110 1.00 0.00 C ATOM 485 O ILE A 30 -1.984 -10.384 -2.203 1.00 0.00 O ATOM 486 CB ILE A 30 -1.250 -10.475 1.102 1.00 0.00 C ATOM 487 CG1 ILE A 30 -0.383 -9.719 2.132 1.00 0.00 C ATOM 488 CG2 ILE A 30 -0.466 -11.640 0.469 1.00 0.00 C ATOM 489 CD1 ILE A 30 0.599 -10.585 2.928 1.00 0.00 C ATOM 0 H ILE A 30 -2.690 -8.457 1.536 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.802 -9.101 -0.432 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.116 -10.887 1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.181 -8.947 1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.044 -9.210 2.834 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.137 -12.324 1.251 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.109 -12.172 -0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.403 -11.249 -0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.158 -9.957 3.622 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.047 -11.341 3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.292 -11.074 2.243 1.00 0.00 H new ATOM 501 N LYS A 31 -3.774 -10.536 -0.843 1.00 0.00 N ATOM 502 CA LYS A 31 -4.615 -11.212 -1.815 1.00 0.00 C ATOM 503 C LYS A 31 -4.735 -10.391 -3.106 1.00 0.00 C ATOM 504 O LYS A 31 -4.449 -10.894 -4.192 1.00 0.00 O ATOM 505 CB LYS A 31 -5.978 -11.506 -1.168 1.00 0.00 C ATOM 506 CG LYS A 31 -6.920 -12.356 -2.032 1.00 0.00 C ATOM 507 CD LYS A 31 -6.309 -13.719 -2.386 1.00 0.00 C ATOM 508 CE LYS A 31 -7.362 -14.640 -3.011 1.00 0.00 C ATOM 509 NZ LYS A 31 -6.787 -15.951 -3.361 1.00 0.00 N ATOM 0 H LYS A 31 -4.233 -10.354 0.050 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.163 -12.160 -2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.814 -12.018 -0.220 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.469 -10.560 -0.939 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.860 -12.508 -1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.156 -11.816 -2.949 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.480 -13.582 -3.081 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.899 -14.183 -1.489 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.188 -14.777 -2.313 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.774 -14.171 -3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.524 -16.552 -3.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.015 -15.820 -4.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.416 -16.407 -2.503 1.00 0.00 H new ATOM 523 N GLU A 32 -5.149 -9.126 -2.987 1.00 0.00 N ATOM 524 CA GLU A 32 -5.369 -8.231 -4.112 1.00 0.00 C ATOM 525 C GLU A 32 -4.108 -8.078 -4.958 1.00 0.00 C ATOM 526 O GLU A 32 -4.164 -8.181 -6.186 1.00 0.00 O ATOM 527 CB GLU A 32 -5.888 -6.871 -3.618 1.00 0.00 C ATOM 528 CG GLU A 32 -6.614 -6.088 -4.710 1.00 0.00 C ATOM 529 CD GLU A 32 -7.784 -6.843 -5.344 1.00 0.00 C ATOM 530 OE1 GLU A 32 -8.537 -7.490 -4.582 1.00 0.00 O ATOM 531 OE2 GLU A 32 -7.896 -6.776 -6.587 1.00 0.00 O ATOM 0 H GLU A 32 -5.343 -8.693 -2.084 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.131 -8.671 -4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.564 -7.028 -2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.051 -6.280 -3.247 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.984 -5.154 -4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.900 -5.825 -5.490 1.00 0.00 H new ATOM 538 N LEU A 33 -2.967 -7.818 -4.314 1.00 0.00 N ATOM 539 CA LEU A 33 -1.738 -7.713 -5.076 1.00 0.00 C ATOM 540 C LEU A 33 -1.438 -9.064 -5.720 1.00 0.00 C ATOM 541 O LEU A 33 -1.293 -9.113 -6.934 1.00 0.00 O ATOM 542 CB LEU A 33 -0.562 -7.179 -4.249 1.00 0.00 C ATOM 543 CG LEU A 33 -0.423 -5.644 -4.222 1.00 0.00 C ATOM 544 CD1 LEU A 33 -0.463 -5.018 -5.624 1.00 0.00 C ATOM 545 CD2 LEU A 33 -1.463 -4.992 -3.308 1.00 0.00 C ATOM 0 H LEU A 33 -2.876 -7.682 -3.307 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.879 -6.970 -5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.667 -7.537 -3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.361 -7.605 -4.642 1.00 0.00 H new ATOM 0 HG LEU A 33 0.565 -5.443 -3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.361 -3.936 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.356 -5.416 -6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.413 -5.258 -6.102 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.329 -3.910 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.464 -5.237 -3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.337 -5.363 -2.291 1.00 0.00 H new ATOM 557 N SER A 34 -1.420 -10.160 -4.956 1.00 0.00 N ATOM 558 CA SER A 34 -1.132 -11.485 -5.501 1.00 0.00 C ATOM 559 C SER A 34 -1.987 -11.808 -6.736 1.00 0.00 C ATOM 560 O SER A 34 -1.486 -12.393 -7.692 1.00 0.00 O ATOM 561 CB SER A 34 -1.322 -12.568 -4.434 1.00 0.00 C ATOM 562 OG SER A 34 -0.477 -12.340 -3.325 1.00 0.00 O ATOM 0 H SER A 34 -1.603 -10.153 -3.953 1.00 0.00 H new ATOM 0 HA SER A 34 -0.089 -11.473 -5.817 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.362 -12.583 -4.107 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.109 -13.547 -4.863 1.00 0.00 H new ATOM 0 HG SER A 34 -0.916 -11.727 -2.700 1.00 0.00 H new ATOM 568 N LYS A 35 -3.270 -11.429 -6.720 1.00 0.00 N ATOM 569 CA LYS A 35 -4.179 -11.655 -7.839 1.00 0.00 C ATOM 570 C LYS A 35 -3.738 -10.891 -9.094 1.00 0.00 C ATOM 571 O LYS A 35 -3.977 -11.358 -10.205 1.00 0.00 O ATOM 572 CB LYS A 35 -5.589 -11.178 -7.461 1.00 0.00 C ATOM 573 CG LYS A 35 -6.335 -12.134 -6.524 1.00 0.00 C ATOM 574 CD LYS A 35 -7.496 -11.421 -5.810 1.00 0.00 C ATOM 575 CE LYS A 35 -8.439 -10.672 -6.760 1.00 0.00 C ATOM 576 NZ LYS A 35 -9.510 -9.984 -6.016 1.00 0.00 N ATOM 0 H LYS A 35 -3.704 -10.956 -5.927 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.170 -12.723 -8.055 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.516 -10.200 -6.984 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.174 -11.046 -8.371 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.720 -12.980 -7.094 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.643 -12.537 -5.785 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.071 -12.156 -5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.087 -10.715 -5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.872 -9.945 -7.341 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.878 -11.374 -7.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.258 -9.690 -6.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.910 -10.630 -5.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.119 -9.146 -5.540 1.00 0.00 H new ATOM 590 N THR A 36 -3.146 -9.707 -8.924 1.00 0.00 N ATOM 591 CA THR A 36 -2.737 -8.840 -10.019 1.00 0.00 C ATOM 592 C THR A 36 -1.242 -9.016 -10.303 1.00 0.00 C ATOM 593 O THR A 36 -0.855 -9.551 -11.339 1.00 0.00 O ATOM 594 CB THR A 36 -3.110 -7.392 -9.661 1.00 0.00 C ATOM 595 OG1 THR A 36 -2.683 -7.069 -8.350 1.00 0.00 O ATOM 596 CG2 THR A 36 -4.627 -7.185 -9.731 1.00 0.00 C ATOM 0 H THR A 36 -2.936 -9.322 -8.003 1.00 0.00 H new ATOM 0 HA THR A 36 -3.257 -9.106 -10.939 1.00 0.00 H new ATOM 0 HB THR A 36 -2.612 -6.746 -10.384 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.331 -7.413 -7.701 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.866 -6.153 -9.474 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.977 -7.397 -10.741 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.119 -7.857 -9.028 1.00 0.00 H new ATOM 604 N SER A 37 -0.403 -8.545 -9.381 1.00 0.00 N ATOM 605 CA SER A 37 1.046 -8.651 -9.437 1.00 0.00 C ATOM 606 C SER A 37 1.469 -9.812 -8.535 1.00 0.00 C ATOM 607 O SER A 37 1.459 -9.686 -7.310 1.00 0.00 O ATOM 608 CB SER A 37 1.650 -7.331 -8.958 1.00 0.00 C ATOM 609 OG SER A 37 1.161 -6.261 -9.742 1.00 0.00 O ATOM 0 H SER A 37 -0.731 -8.062 -8.545 1.00 0.00 H new ATOM 0 HA SER A 37 1.396 -8.842 -10.451 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.401 -7.167 -7.909 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.737 -7.374 -9.025 1.00 0.00 H new ATOM 0 HG SER A 37 1.453 -5.410 -9.353 1.00 0.00 H new ATOM 615 N THR A 38 1.881 -10.930 -9.133 1.00 0.00 N ATOM 616 CA THR A 38 2.231 -12.152 -8.430 1.00 0.00 C ATOM 617 C THR A 38 3.557 -12.031 -7.667 1.00 0.00 C ATOM 618 O THR A 38 4.554 -12.635 -8.059 1.00 0.00 O ATOM 619 CB THR A 38 2.271 -13.292 -9.457 1.00 0.00 C ATOM 620 OG1 THR A 38 3.157 -12.928 -10.495 1.00 0.00 O ATOM 621 CG2 THR A 38 0.888 -13.561 -10.059 1.00 0.00 C ATOM 0 H THR A 38 1.981 -11.007 -10.145 1.00 0.00 H new ATOM 0 HA THR A 38 1.478 -12.358 -7.669 1.00 0.00 H new ATOM 0 HB THR A 38 2.603 -14.199 -8.952 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.035 -12.714 -10.116 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.958 -14.374 -10.781 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.194 -13.838 -9.266 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.528 -12.662 -10.559 1.00 0.00 H new ATOM 629 N TRP A 39 3.563 -11.247 -6.588 1.00 0.00 N ATOM 630 CA TRP A 39 4.680 -11.079 -5.674 1.00 0.00 C ATOM 631 C TRP A 39 4.404 -11.942 -4.438 1.00 0.00 C ATOM 632 O TRP A 39 3.249 -12.108 -4.050 1.00 0.00 O ATOM 633 CB TRP A 39 4.789 -9.600 -5.296 1.00 0.00 C ATOM 634 CG TRP A 39 5.187 -8.651 -6.385 1.00 0.00 C ATOM 635 CD1 TRP A 39 6.225 -8.814 -7.236 1.00 0.00 C ATOM 636 CD2 TRP A 39 4.604 -7.356 -6.720 1.00 0.00 C ATOM 637 NE1 TRP A 39 6.327 -7.721 -8.073 1.00 0.00 N ATOM 638 CE2 TRP A 39 5.353 -6.786 -7.792 1.00 0.00 C ATOM 639 CE3 TRP A 39 3.512 -6.606 -6.232 1.00 0.00 C ATOM 640 CZ2 TRP A 39 5.040 -5.537 -8.347 1.00 0.00 C ATOM 641 CZ3 TRP A 39 3.202 -5.343 -6.769 1.00 0.00 C ATOM 642 CH2 TRP A 39 3.951 -4.816 -7.834 1.00 0.00 C ATOM 0 H TRP A 39 2.751 -10.690 -6.321 1.00 0.00 H new ATOM 0 HA TRP A 39 5.621 -11.387 -6.129 1.00 0.00 H new ATOM 0 HB2 TRP A 39 3.825 -9.279 -4.901 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.512 -9.509 -4.485 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.879 -9.673 -7.258 1.00 0.00 H new ATOM 0 HE1 TRP A 39 7.031 -7.618 -8.804 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.905 -7.008 -5.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 5.629 -5.135 -9.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 2.381 -4.774 -6.359 1.00 0.00 H new ATOM 0 HH2 TRP A 39 3.689 -3.858 -8.257 1.00 0.00 H new ATOM 653 N SER A 40 5.443 -12.511 -3.817 1.00 0.00 N ATOM 654 CA SER A 40 5.248 -13.356 -2.645 1.00 0.00 C ATOM 655 C SER A 40 4.773 -12.512 -1.455 1.00 0.00 C ATOM 656 O SER A 40 5.052 -11.312 -1.424 1.00 0.00 O ATOM 657 CB SER A 40 6.557 -14.083 -2.305 1.00 0.00 C ATOM 658 OG SER A 40 7.542 -13.178 -1.834 1.00 0.00 O ATOM 0 H SER A 40 6.415 -12.401 -4.106 1.00 0.00 H new ATOM 0 HA SER A 40 4.481 -14.099 -2.864 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.367 -14.843 -1.548 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.929 -14.600 -3.190 1.00 0.00 H new ATOM 0 HG SER A 40 8.364 -13.669 -1.624 1.00 0.00 H new ATOM 664 N PRO A 41 4.102 -13.103 -0.451 1.00 0.00 N ATOM 665 CA PRO A 41 3.722 -12.375 0.749 1.00 0.00 C ATOM 666 C PRO A 41 4.939 -11.676 1.359 1.00 0.00 C ATOM 667 O PRO A 41 4.846 -10.521 1.752 1.00 0.00 O ATOM 668 CB PRO A 41 3.083 -13.397 1.692 1.00 0.00 C ATOM 669 CG PRO A 41 2.622 -14.501 0.772 1.00 0.00 C ATOM 670 CD PRO A 41 3.596 -14.466 -0.407 1.00 0.00 C ATOM 0 HA PRO A 41 3.008 -11.579 0.537 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.798 -13.763 2.428 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.250 -12.964 2.245 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.644 -15.468 1.274 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.596 -14.337 0.442 1.00 0.00 H new ATOM 0 HD2 PRO A 41 4.407 -15.181 -0.268 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.095 -14.729 -1.338 1.00 0.00 H new ATOM 678 N LYS A 42 6.098 -12.345 1.392 1.00 0.00 N ATOM 679 CA LYS A 42 7.333 -11.737 1.872 1.00 0.00 C ATOM 680 C LYS A 42 7.654 -10.479 1.055 1.00 0.00 C ATOM 681 O LYS A 42 7.942 -9.425 1.625 1.00 0.00 O ATOM 682 CB LYS A 42 8.474 -12.767 1.817 1.00 0.00 C ATOM 683 CG LYS A 42 9.861 -12.184 2.131 1.00 0.00 C ATOM 684 CD LYS A 42 9.929 -11.496 3.502 1.00 0.00 C ATOM 685 CE LYS A 42 11.339 -10.948 3.747 1.00 0.00 C ATOM 686 NZ LYS A 42 11.420 -10.229 5.030 1.00 0.00 N ATOM 0 H LYS A 42 6.200 -13.313 1.089 1.00 0.00 H new ATOM 0 HA LYS A 42 7.213 -11.429 2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.260 -13.568 2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.497 -13.216 0.824 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.601 -12.983 2.095 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.130 -11.465 1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.202 -10.685 3.547 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.664 -12.205 4.287 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.056 -11.769 3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.617 -10.277 2.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.387 -9.870 5.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.752 -9.432 5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.178 -10.877 5.807 1.00 0.00 H new ATOM 700 N THR A 43 7.619 -10.581 -0.278 1.00 0.00 N ATOM 701 CA THR A 43 7.877 -9.437 -1.145 1.00 0.00 C ATOM 702 C THR A 43 6.922 -8.295 -0.783 1.00 0.00 C ATOM 703 O THR A 43 7.363 -7.181 -0.499 1.00 0.00 O ATOM 704 CB THR A 43 7.742 -9.846 -2.619 1.00 0.00 C ATOM 705 OG1 THR A 43 8.631 -10.899 -2.920 1.00 0.00 O ATOM 706 CG2 THR A 43 8.044 -8.687 -3.570 1.00 0.00 C ATOM 0 H THR A 43 7.414 -11.447 -0.776 1.00 0.00 H new ATOM 0 HA THR A 43 8.898 -9.086 -0.997 1.00 0.00 H new ATOM 0 HB THR A 43 6.708 -10.160 -2.760 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.343 -11.713 -2.456 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.936 -9.024 -4.601 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.348 -7.870 -3.380 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.064 -8.339 -3.407 1.00 0.00 H new ATOM 714 N ILE A 44 5.616 -8.577 -0.763 1.00 0.00 N ATOM 715 CA ILE A 44 4.592 -7.604 -0.425 1.00 0.00 C ATOM 716 C ILE A 44 4.904 -6.945 0.915 1.00 0.00 C ATOM 717 O ILE A 44 4.925 -5.725 1.025 1.00 0.00 O ATOM 718 CB ILE A 44 3.243 -8.328 -0.388 1.00 0.00 C ATOM 719 CG1 ILE A 44 2.899 -8.895 -1.771 1.00 0.00 C ATOM 720 CG2 ILE A 44 2.134 -7.429 0.170 1.00 0.00 C ATOM 721 CD1 ILE A 44 2.392 -7.834 -2.741 1.00 0.00 C ATOM 0 H ILE A 44 5.243 -9.500 -0.985 1.00 0.00 H new ATOM 0 HA ILE A 44 4.560 -6.811 -1.172 1.00 0.00 H new ATOM 0 HB ILE A 44 3.325 -9.171 0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.784 -9.371 -2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.141 -9.671 -1.661 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.192 -7.977 0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.388 -7.125 1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.032 -6.544 -0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.166 -8.297 -3.701 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.489 -7.374 -2.338 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.158 -7.071 -2.878 1.00 0.00 H new ATOM 733 N GLN A 45 5.147 -7.760 1.936 1.00 0.00 N ATOM 734 CA GLN A 45 5.477 -7.305 3.277 1.00 0.00 C ATOM 735 C GLN A 45 6.708 -6.396 3.249 1.00 0.00 C ATOM 736 O GLN A 45 6.731 -5.382 3.941 1.00 0.00 O ATOM 737 CB GLN A 45 5.625 -8.512 4.208 1.00 0.00 C ATOM 738 CG GLN A 45 4.247 -9.157 4.440 1.00 0.00 C ATOM 739 CD GLN A 45 4.359 -10.550 5.052 1.00 0.00 C ATOM 740 OE1 GLN A 45 3.803 -11.515 4.536 1.00 0.00 O ATOM 741 NE2 GLN A 45 5.078 -10.673 6.164 1.00 0.00 N ATOM 0 H GLN A 45 5.119 -8.776 1.850 1.00 0.00 H new ATOM 0 HA GLN A 45 4.667 -6.695 3.677 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.309 -9.239 3.771 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.056 -8.200 5.159 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.655 -8.520 5.097 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.713 -9.220 3.492 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.530 -9.855 6.572 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.178 -11.586 6.609 1.00 0.00 H new ATOM 750 N THR A 46 7.716 -6.722 2.437 1.00 0.00 N ATOM 751 CA THR A 46 8.895 -5.874 2.299 1.00 0.00 C ATOM 752 C THR A 46 8.489 -4.513 1.709 1.00 0.00 C ATOM 753 O THR A 46 8.857 -3.466 2.244 1.00 0.00 O ATOM 754 CB THR A 46 9.970 -6.590 1.466 1.00 0.00 C ATOM 755 OG1 THR A 46 10.214 -7.878 2.003 1.00 0.00 O ATOM 756 CG2 THR A 46 11.292 -5.817 1.482 1.00 0.00 C ATOM 0 H THR A 46 7.737 -7.567 1.867 1.00 0.00 H new ATOM 0 HA THR A 46 9.334 -5.683 3.278 1.00 0.00 H new ATOM 0 HB THR A 46 9.601 -6.657 0.443 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.452 -8.463 1.810 1.00 0.00 H new ATOM 0 HG21 THR A 46 12.032 -6.349 0.884 1.00 0.00 H new ATOM 0 HG22 THR A 46 11.137 -4.822 1.066 1.00 0.00 H new ATOM 0 HG23 THR A 46 11.650 -5.729 2.508 1.00 0.00 H new ATOM 764 N MET A 47 7.719 -4.515 0.615 1.00 0.00 N ATOM 765 CA MET A 47 7.236 -3.288 -0.013 1.00 0.00 C ATOM 766 C MET A 47 6.433 -2.451 0.991 1.00 0.00 C ATOM 767 O MET A 47 6.650 -1.247 1.115 1.00 0.00 O ATOM 768 CB MET A 47 6.407 -3.631 -1.258 1.00 0.00 C ATOM 769 CG MET A 47 7.271 -4.306 -2.329 1.00 0.00 C ATOM 770 SD MET A 47 6.369 -4.853 -3.800 1.00 0.00 S ATOM 771 CE MET A 47 7.769 -5.300 -4.853 1.00 0.00 C ATOM 0 H MET A 47 7.416 -5.367 0.144 1.00 0.00 H new ATOM 0 HA MET A 47 8.088 -2.686 -0.330 1.00 0.00 H new ATOM 0 HB2 MET A 47 5.585 -4.291 -0.981 1.00 0.00 H new ATOM 0 HB3 MET A 47 5.963 -2.722 -1.664 1.00 0.00 H new ATOM 0 HG2 MET A 47 8.052 -3.611 -2.637 1.00 0.00 H new ATOM 0 HG3 MET A 47 7.769 -5.168 -1.884 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.405 -5.809 -5.745 1.00 0.00 H new ATOM 0 HE2 MET A 47 8.308 -4.398 -5.144 1.00 0.00 H new ATOM 0 HE3 MET A 47 8.439 -5.962 -4.305 1.00 0.00 H new ATOM 781 N LEU A 48 5.512 -3.090 1.717 1.00 0.00 N ATOM 782 CA LEU A 48 4.711 -2.447 2.748 1.00 0.00 C ATOM 783 C LEU A 48 5.631 -1.842 3.805 1.00 0.00 C ATOM 784 O LEU A 48 5.456 -0.687 4.178 1.00 0.00 O ATOM 785 CB LEU A 48 3.739 -3.448 3.388 1.00 0.00 C ATOM 786 CG LEU A 48 2.594 -3.869 2.453 1.00 0.00 C ATOM 787 CD1 LEU A 48 1.940 -5.140 3.002 1.00 0.00 C ATOM 788 CD2 LEU A 48 1.524 -2.776 2.338 1.00 0.00 C ATOM 0 H LEU A 48 5.303 -4.081 1.599 1.00 0.00 H new ATOM 0 HA LEU A 48 4.119 -1.653 2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.293 -4.335 3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.317 -3.007 4.291 1.00 0.00 H new ATOM 0 HG LEU A 48 3.016 -4.043 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.127 -5.444 2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.682 -5.937 3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.546 -4.945 3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.732 -3.111 1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.105 -2.572 3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.974 -1.866 1.940 1.00 0.00 H new ATOM 800 N LEU A 49 6.614 -2.606 4.290 1.00 0.00 N ATOM 801 CA LEU A 49 7.568 -2.122 5.278 1.00 0.00 C ATOM 802 C LEU A 49 8.240 -0.857 4.755 1.00 0.00 C ATOM 803 O LEU A 49 8.278 0.138 5.475 1.00 0.00 O ATOM 804 CB LEU A 49 8.561 -3.232 5.652 1.00 0.00 C ATOM 805 CG LEU A 49 9.498 -2.860 6.817 1.00 0.00 C ATOM 806 CD1 LEU A 49 9.913 -4.140 7.553 1.00 0.00 C ATOM 807 CD2 LEU A 49 10.773 -2.143 6.348 1.00 0.00 C ATOM 0 H LEU A 49 6.766 -3.574 4.006 1.00 0.00 H new ATOM 0 HA LEU A 49 7.055 -1.854 6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.004 -4.130 5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.163 -3.478 4.777 1.00 0.00 H new ATOM 0 HG LEU A 49 8.948 -2.179 7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.577 -3.886 8.379 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.026 -4.641 7.941 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.432 -4.805 6.862 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.395 -1.905 7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 49 11.327 -2.792 5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.503 -1.222 5.830 1.00 0.00 H new ATOM 819 N ARG A 50 8.748 -0.870 3.515 1.00 0.00 N ATOM 820 CA ARG A 50 9.332 0.336 2.939 1.00 0.00 C ATOM 821 C ARG A 50 8.314 1.472 2.976 1.00 0.00 C ATOM 822 O ARG A 50 8.596 2.527 3.538 1.00 0.00 O ATOM 823 CB ARG A 50 9.815 0.133 1.498 1.00 0.00 C ATOM 824 CG ARG A 50 11.079 -0.732 1.414 1.00 0.00 C ATOM 825 CD ARG A 50 11.904 -0.386 0.167 1.00 0.00 C ATOM 826 NE ARG A 50 11.161 -0.640 -1.078 1.00 0.00 N ATOM 827 CZ ARG A 50 10.883 0.243 -2.053 1.00 0.00 C ATOM 828 NH1 ARG A 50 11.146 1.551 -1.931 1.00 0.00 N ATOM 829 NH2 ARG A 50 10.318 -0.199 -3.182 1.00 0.00 N ATOM 0 H ARG A 50 8.764 -1.688 2.906 1.00 0.00 H new ATOM 0 HA ARG A 50 10.205 0.585 3.543 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.021 -0.334 0.915 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.014 1.104 1.045 1.00 0.00 H new ATOM 0 HG2 ARG A 50 11.685 -0.583 2.308 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.801 -1.786 1.389 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.196 0.663 0.206 1.00 0.00 H new ATOM 0 HD3 ARG A 50 12.822 -0.973 0.166 1.00 0.00 H new ATOM 0 HE ARG A 50 10.819 -1.591 -1.216 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.572 1.908 -1.076 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.920 2.190 -2.693 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.106 -1.191 -3.292 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.100 0.456 -3.933 1.00 0.00 H new ATOM 843 N LEU A 51 7.135 1.262 2.389 1.00 0.00 N ATOM 844 CA LEU A 51 6.101 2.282 2.337 1.00 0.00 C ATOM 845 C LEU A 51 5.836 2.893 3.719 1.00 0.00 C ATOM 846 O LEU A 51 5.768 4.112 3.865 1.00 0.00 O ATOM 847 CB LEU A 51 4.792 1.692 1.777 1.00 0.00 C ATOM 848 CG LEU A 51 4.667 1.751 0.247 1.00 0.00 C ATOM 849 CD1 LEU A 51 3.559 0.805 -0.221 1.00 0.00 C ATOM 850 CD2 LEU A 51 4.328 3.170 -0.229 1.00 0.00 C ATOM 0 H LEU A 51 6.876 0.383 1.940 1.00 0.00 H new ATOM 0 HA LEU A 51 6.459 3.072 1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.712 0.653 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.950 2.226 2.218 1.00 0.00 H new ATOM 0 HG LEU A 51 5.627 1.453 -0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.475 0.852 -1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.799 -0.214 0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.612 1.103 0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.246 3.179 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.381 3.484 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.116 3.856 0.081 1.00 0.00 H new ATOM 862 N ILE A 52 5.656 2.052 4.734 1.00 0.00 N ATOM 863 CA ILE A 52 5.288 2.492 6.069 1.00 0.00 C ATOM 864 C ILE A 52 6.464 3.138 6.803 1.00 0.00 C ATOM 865 O ILE A 52 6.386 4.282 7.243 1.00 0.00 O ATOM 866 CB ILE A 52 4.730 1.282 6.844 1.00 0.00 C ATOM 867 CG1 ILE A 52 3.461 0.750 6.151 1.00 0.00 C ATOM 868 CG2 ILE A 52 4.396 1.651 8.298 1.00 0.00 C ATOM 869 CD1 ILE A 52 3.163 -0.694 6.557 1.00 0.00 C ATOM 0 H ILE A 52 5.763 1.041 4.649 1.00 0.00 H new ATOM 0 HA ILE A 52 4.522 3.264 5.995 1.00 0.00 H new ATOM 0 HB ILE A 52 5.500 0.511 6.851 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.612 1.384 6.408 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.585 0.807 5.070 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.005 0.775 8.815 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.298 1.997 8.802 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.647 2.443 8.310 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.261 -1.036 6.049 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.002 -1.331 6.276 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.014 -0.745 7.635 1.00 0.00 H new ATOM 881 N LYS A 53 7.569 2.407 6.934 1.00 0.00 N ATOM 882 CA LYS A 53 8.709 2.837 7.722 1.00 0.00 C ATOM 883 C LYS A 53 9.509 3.940 7.033 1.00 0.00 C ATOM 884 O LYS A 53 10.014 4.843 7.696 1.00 0.00 O ATOM 885 CB LYS A 53 9.593 1.615 8.014 1.00 0.00 C ATOM 886 CG LYS A 53 10.649 1.908 9.088 1.00 0.00 C ATOM 887 CD LYS A 53 11.510 0.662 9.329 1.00 0.00 C ATOM 888 CE LYS A 53 12.507 0.871 10.476 1.00 0.00 C ATOM 889 NZ LYS A 53 13.470 1.948 10.183 1.00 0.00 N ATOM 0 H LYS A 53 7.694 1.496 6.492 1.00 0.00 H new ATOM 0 HA LYS A 53 8.345 3.266 8.656 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.966 0.785 8.340 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.089 1.299 7.096 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.279 2.740 8.773 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.163 2.209 10.016 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.865 -0.186 9.558 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.052 0.413 8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.963 1.110 11.390 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.047 -0.058 10.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.176 1.999 10.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.948 1.750 9.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.966 2.855 10.116 1.00 0.00 H new ATOM 903 N LYS A 54 9.642 3.863 5.708 1.00 0.00 N ATOM 904 CA LYS A 54 10.526 4.726 4.942 1.00 0.00 C ATOM 905 C LYS A 54 9.863 5.988 4.369 1.00 0.00 C ATOM 906 O LYS A 54 10.396 6.553 3.413 1.00 0.00 O ATOM 907 CB LYS A 54 11.255 3.872 3.892 1.00 0.00 C ATOM 908 CG LYS A 54 12.710 4.295 3.631 1.00 0.00 C ATOM 909 CD LYS A 54 13.679 4.062 4.805 1.00 0.00 C ATOM 910 CE LYS A 54 13.632 2.645 5.393 1.00 0.00 C ATOM 911 NZ LYS A 54 13.839 1.612 4.362 1.00 0.00 N ATOM 0 H LYS A 54 9.131 3.191 5.136 1.00 0.00 H new ATOM 0 HA LYS A 54 11.259 5.151 5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.244 2.831 4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.701 3.920 2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.080 3.751 2.762 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.724 5.354 3.374 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.695 4.269 4.469 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.452 4.778 5.595 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.397 2.547 6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.669 2.485 5.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.867 0.674 4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.058 1.644 3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.738 1.788 3.870 1.00 0.00 H new ATOM 925 N GLY A 55 8.758 6.464 4.965 1.00 0.00 N ATOM 926 CA GLY A 55 8.153 7.754 4.622 1.00 0.00 C ATOM 927 C GLY A 55 6.828 7.858 3.857 1.00 0.00 C ATOM 928 O GLY A 55 6.381 8.990 3.683 1.00 0.00 O ATOM 0 H GLY A 55 8.260 5.961 5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.017 8.295 5.558 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.894 8.303 4.041 1.00 0.00 H new ATOM 932 N ALA A 56 6.132 6.798 3.432 1.00 0.00 N ATOM 933 CA ALA A 56 4.873 6.977 2.689 1.00 0.00 C ATOM 934 C ALA A 56 3.611 6.847 3.546 1.00 0.00 C ATOM 935 O ALA A 56 2.956 7.849 3.833 1.00 0.00 O ATOM 936 CB ALA A 56 4.784 6.002 1.508 1.00 0.00 C ATOM 0 H ALA A 56 6.408 5.828 3.583 1.00 0.00 H new ATOM 0 HA ALA A 56 4.907 8.005 2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.844 6.157 0.978 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.617 6.177 0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.827 4.978 1.878 1.00 0.00 H new ATOM 942 N LEU A 57 3.313 5.625 3.987 1.00 0.00 N ATOM 943 CA LEU A 57 2.009 5.165 4.472 1.00 0.00 C ATOM 944 C LEU A 57 1.995 4.998 5.994 1.00 0.00 C ATOM 945 O LEU A 57 3.047 5.034 6.624 1.00 0.00 O ATOM 946 CB LEU A 57 1.808 3.788 3.807 1.00 0.00 C ATOM 947 CG LEU A 57 0.373 3.421 3.413 1.00 0.00 C ATOM 948 CD1 LEU A 57 -0.073 4.239 2.197 1.00 0.00 C ATOM 949 CD2 LEU A 57 0.356 1.942 3.008 1.00 0.00 C ATOM 0 H LEU A 57 4.015 4.886 4.018 1.00 0.00 H new ATOM 0 HA LEU A 57 1.226 5.883 4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.428 3.748 2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.181 3.023 4.488 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.292 3.621 4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.094 3.967 1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.032 5.301 2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.589 4.032 1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.656 1.655 2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.029 1.788 2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.683 1.331 3.849 1.00 0.00 H new ATOM 961 N ASN A 58 0.806 4.859 6.593 1.00 0.00 N ATOM 962 CA ASN A 58 0.647 4.647 8.027 1.00 0.00 C ATOM 963 C ASN A 58 -0.106 3.337 8.292 1.00 0.00 C ATOM 964 O ASN A 58 -0.931 2.925 7.476 1.00 0.00 O ATOM 965 CB ASN A 58 -0.062 5.853 8.646 1.00 0.00 C ATOM 966 CG ASN A 58 -0.316 5.584 10.125 1.00 0.00 C ATOM 967 OD1 ASN A 58 0.597 5.683 10.936 1.00 0.00 O ATOM 968 ND2 ASN A 58 -1.515 5.130 10.465 1.00 0.00 N ATOM 0 H ASN A 58 -0.078 4.892 6.086 1.00 0.00 H new ATOM 0 HA ASN A 58 1.626 4.555 8.497 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.548 6.748 8.527 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.005 6.039 8.131 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.700 4.850 11.428 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.252 5.061 9.763 1.00 0.00 H new ATOM 975 N HIS A 59 0.190 2.691 9.425 1.00 0.00 N ATOM 976 CA HIS A 59 -0.400 1.436 9.883 1.00 0.00 C ATOM 977 C HIS A 59 -1.401 1.709 11.009 1.00 0.00 C ATOM 978 O HIS A 59 -1.296 2.704 11.728 1.00 0.00 O ATOM 979 CB HIS A 59 0.736 0.549 10.409 1.00 0.00 C ATOM 980 CG HIS A 59 0.378 -0.795 10.994 1.00 0.00 C ATOM 981 ND1 HIS A 59 -0.241 -0.909 12.239 1.00 0.00 N ATOM 982 CD2 HIS A 59 0.743 -2.048 10.576 1.00 0.00 C ATOM 983 CE1 HIS A 59 -0.248 -2.216 12.509 1.00 0.00 C ATOM 984 NE2 HIS A 59 0.345 -2.942 11.549 1.00 0.00 N ATOM 0 H HIS A 59 0.885 3.052 10.079 1.00 0.00 H new ATOM 0 HA HIS A 59 -0.925 0.944 9.064 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.434 0.380 9.589 1.00 0.00 H new ATOM 0 HB3 HIS A 59 1.272 1.112 11.173 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.250 -2.291 9.654 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.683 -2.642 13.401 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.476 -3.954 11.540 1.00 0.00 H new ATOM 992 N HIS A 60 -2.365 0.805 11.158 1.00 0.00 N ATOM 993 CA HIS A 60 -3.371 0.796 12.204 1.00 0.00 C ATOM 994 C HIS A 60 -3.682 -0.659 12.559 1.00 0.00 C ATOM 995 O HIS A 60 -3.655 -1.523 11.685 1.00 0.00 O ATOM 996 CB HIS A 60 -4.619 1.543 11.755 1.00 0.00 C ATOM 997 CG HIS A 60 -5.791 1.364 12.685 1.00 0.00 C ATOM 998 ND1 HIS A 60 -5.635 1.410 14.072 1.00 0.00 N ATOM 999 CD2 HIS A 60 -7.095 1.065 12.396 1.00 0.00 C ATOM 1000 CE1 HIS A 60 -6.852 1.150 14.561 1.00 0.00 C ATOM 1001 NE2 HIS A 60 -7.760 0.933 13.597 1.00 0.00 N ATOM 0 H HIS A 60 -2.467 0.019 10.516 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.998 1.310 13.090 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -4.388 2.605 11.674 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.900 1.201 10.759 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -7.523 0.953 11.411 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.079 1.118 15.616 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -8.748 0.714 13.727 1.00 0.00 H new ATOM 1009 N LYS A 61 -3.961 -0.947 13.832 1.00 0.00 N ATOM 1010 CA LYS A 61 -4.361 -2.270 14.287 1.00 0.00 C ATOM 1011 C LYS A 61 -5.886 -2.257 14.370 1.00 0.00 C ATOM 1012 O LYS A 61 -6.448 -1.843 15.386 1.00 0.00 O ATOM 1013 CB LYS A 61 -3.702 -2.595 15.636 1.00 0.00 C ATOM 1014 CG LYS A 61 -4.068 -4.016 16.093 1.00 0.00 C ATOM 1015 CD LYS A 61 -3.395 -4.352 17.427 1.00 0.00 C ATOM 1016 CE LYS A 61 -3.811 -5.757 17.880 1.00 0.00 C ATOM 1017 NZ LYS A 61 -3.192 -6.112 19.169 1.00 0.00 N ATOM 0 H LYS A 61 -3.913 -0.256 14.581 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.035 -3.052 13.601 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.619 -2.504 15.548 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.023 -1.873 16.386 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.150 -4.102 16.195 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.761 -4.736 15.335 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.311 -4.300 17.321 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.677 -3.618 18.182 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.896 -5.805 17.970 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.521 -6.486 17.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.493 -7.068 19.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.157 -6.089 19.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.489 -5.430 19.896 1.00 0.00 H new ATOM 1031 N GLU A 62 -6.578 -2.728 13.330 1.00 0.00 N ATOM 1032 CA GLU A 62 -8.033 -2.708 13.348 1.00 0.00 C ATOM 1033 C GLU A 62 -8.516 -3.977 14.054 1.00 0.00 C ATOM 1034 O GLU A 62 -9.023 -4.919 13.441 1.00 0.00 O ATOM 1035 CB GLU A 62 -8.560 -2.578 11.911 1.00 0.00 C ATOM 1036 CG GLU A 62 -10.033 -2.150 11.850 1.00 0.00 C ATOM 1037 CD GLU A 62 -10.198 -0.653 12.092 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -10.284 -0.267 13.279 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -10.195 0.088 11.086 1.00 0.00 O ATOM 0 H GLU A 62 -6.161 -3.119 12.485 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.419 -1.850 13.898 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.953 -1.851 11.372 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.443 -3.533 11.399 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.447 -2.408 10.875 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.604 -2.704 12.595 1.00 0.00 H new ATOM 1046 N GLY A 63 -8.404 -3.937 15.384 1.00 0.00 N ATOM 1047 CA GLY A 63 -8.803 -4.989 16.305 1.00 0.00 C ATOM 1048 C GLY A 63 -8.136 -6.331 15.999 1.00 0.00 C ATOM 1049 O GLY A 63 -7.171 -6.714 16.655 1.00 0.00 O ATOM 0 H GLY A 63 -8.013 -3.127 15.865 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.553 -4.688 17.323 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.886 -5.109 16.265 1.00 0.00 H new ATOM 1053 N ARG A 64 -8.677 -7.044 15.010 1.00 0.00 N ATOM 1054 CA ARG A 64 -8.231 -8.363 14.590 1.00 0.00 C ATOM 1055 C ARG A 64 -7.200 -8.271 13.466 1.00 0.00 C ATOM 1056 O ARG A 64 -6.173 -8.942 13.520 1.00 0.00 O ATOM 1057 CB ARG A 64 -9.447 -9.184 14.159 1.00 0.00 C ATOM 1058 CG ARG A 64 -9.047 -10.621 13.797 1.00 0.00 C ATOM 1059 CD ARG A 64 -10.271 -11.493 13.584 1.00 0.00 C ATOM 1060 NE ARG A 64 -11.115 -10.996 12.489 1.00 0.00 N ATOM 1061 CZ ARG A 64 -12.330 -11.475 12.188 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -12.853 -12.480 12.900 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -13.016 -10.944 11.172 1.00 0.00 N ATOM 0 H ARG A 64 -9.467 -6.701 14.463 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.740 -8.858 15.428 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.182 -9.200 14.964 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.924 -8.710 13.301 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.439 -10.615 12.892 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.431 -11.041 14.592 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.956 -12.513 13.365 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.855 -11.530 14.504 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.751 -10.233 11.918 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.327 -12.884 13.675 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.778 -12.842 12.668 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.615 -10.179 10.630 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.941 -11.304 10.938 1.00 0.00 H new ATOM 1077 N VAL A 65 -7.485 -7.471 12.434 1.00 0.00 N ATOM 1078 CA VAL A 65 -6.618 -7.328 11.275 1.00 0.00 C ATOM 1079 C VAL A 65 -5.884 -5.998 11.360 1.00 0.00 C ATOM 1080 O VAL A 65 -6.433 -5.031 11.881 1.00 0.00 O ATOM 1081 CB VAL A 65 -7.441 -7.388 9.975 1.00 0.00 C ATOM 1082 CG1 VAL A 65 -8.086 -8.754 9.747 1.00 0.00 C ATOM 1083 CG2 VAL A 65 -8.538 -6.316 9.888 1.00 0.00 C ATOM 0 H VAL A 65 -8.331 -6.903 12.385 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.898 -8.146 11.266 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.705 -7.196 9.194 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.653 -8.738 8.816 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.310 -9.517 9.686 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.756 -8.983 10.576 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.075 -6.421 8.945 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.234 -6.439 10.718 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.084 -5.326 9.939 1.00 0.00 H new ATOM 1093 N PHE A 66 -4.651 -5.922 10.854 1.00 0.00 N ATOM 1094 CA PHE A 66 -3.966 -4.643 10.777 1.00 0.00 C ATOM 1095 C PHE A 66 -4.195 -4.061 9.384 1.00 0.00 C ATOM 1096 O PHE A 66 -4.115 -4.768 8.370 1.00 0.00 O ATOM 1097 CB PHE A 66 -2.512 -4.705 11.224 1.00 0.00 C ATOM 1098 CG PHE A 66 -1.626 -5.751 10.578 1.00 0.00 C ATOM 1099 CD1 PHE A 66 -1.665 -7.073 11.059 1.00 0.00 C ATOM 1100 CD2 PHE A 66 -0.615 -5.368 9.677 1.00 0.00 C ATOM 1101 CE1 PHE A 66 -0.724 -8.017 10.614 1.00 0.00 C ATOM 1102 CE2 PHE A 66 0.369 -6.295 9.290 1.00 0.00 C ATOM 1103 CZ PHE A 66 0.300 -7.626 9.736 1.00 0.00 C ATOM 0 H PHE A 66 -4.120 -6.718 10.499 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.394 -3.951 11.502 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.063 -3.728 11.046 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.498 -4.871 12.301 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.421 -7.363 11.773 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.595 -4.363 9.283 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.788 -9.042 10.947 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.180 -5.983 8.648 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.033 -8.347 9.404 1.00 0.00 H new ATOM 1113 N VAL A 67 -4.549 -2.776 9.391 1.00 0.00 N ATOM 1114 CA VAL A 67 -4.983 -1.956 8.283 1.00 0.00 C ATOM 1115 C VAL A 67 -3.939 -0.911 7.932 1.00 0.00 C ATOM 1116 O VAL A 67 -3.308 -0.333 8.816 1.00 0.00 O ATOM 1117 CB VAL A 67 -6.334 -1.306 8.644 1.00 0.00 C ATOM 1118 CG1 VAL A 67 -6.776 -0.221 7.653 1.00 0.00 C ATOM 1119 CG2 VAL A 67 -7.422 -2.382 8.693 1.00 0.00 C ATOM 0 H VAL A 67 -4.534 -2.242 10.260 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.112 -2.580 7.398 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.194 -0.829 9.614 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.734 0.192 7.969 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.029 0.573 7.626 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.879 -0.656 6.659 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.377 -1.923 8.948 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.500 -2.865 7.719 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.164 -3.126 9.447 1.00 0.00 H new ATOM 1129 N TYR A 68 -3.755 -0.692 6.630 1.00 0.00 N ATOM 1130 CA TYR A 68 -2.891 0.358 6.128 1.00 0.00 C ATOM 1131 C TYR A 68 -3.785 1.541 5.786 1.00 0.00 C ATOM 1132 O TYR A 68 -4.709 1.405 4.983 1.00 0.00 O ATOM 1133 CB TYR A 68 -2.124 -0.136 4.904 1.00 0.00 C ATOM 1134 CG TYR A 68 -1.305 -1.372 5.192 1.00 0.00 C ATOM 1135 CD1 TYR A 68 -0.333 -1.340 6.210 1.00 0.00 C ATOM 1136 CD2 TYR A 68 -1.638 -2.593 4.580 1.00 0.00 C ATOM 1137 CE1 TYR A 68 0.278 -2.529 6.635 1.00 0.00 C ATOM 1138 CE2 TYR A 68 -1.006 -3.775 4.993 1.00 0.00 C ATOM 1139 CZ TYR A 68 -0.071 -3.746 6.037 1.00 0.00 C ATOM 1140 OH TYR A 68 0.444 -4.905 6.521 1.00 0.00 O ATOM 0 H TYR A 68 -4.205 -1.243 5.899 1.00 0.00 H new ATOM 0 HA TYR A 68 -2.148 0.653 6.869 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.829 -0.351 4.100 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -1.466 0.657 4.548 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -0.058 -0.400 6.664 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.378 -2.621 3.794 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.017 -2.506 7.423 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.240 -4.710 4.505 1.00 0.00 H new ATOM 0 HH TYR A 68 0.230 -4.985 7.474 1.00 0.00 H new ATOM 1150 N THR A 69 -3.524 2.681 6.422 1.00 0.00 N ATOM 1151 CA THR A 69 -4.256 3.922 6.257 1.00 0.00 C ATOM 1152 C THR A 69 -3.465 4.799 5.279 1.00 0.00 C ATOM 1153 O THR A 69 -2.324 5.154 5.601 1.00 0.00 O ATOM 1154 CB THR A 69 -4.364 4.598 7.629 1.00 0.00 C ATOM 1155 OG1 THR A 69 -3.083 4.636 8.218 1.00 0.00 O ATOM 1156 CG2 THR A 69 -5.298 3.821 8.562 1.00 0.00 C ATOM 0 H THR A 69 -2.762 2.762 7.095 1.00 0.00 H new ATOM 0 HA THR A 69 -5.260 3.756 5.865 1.00 0.00 H new ATOM 0 HB THR A 69 -4.766 5.601 7.485 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.401 4.677 7.515 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.352 4.327 9.526 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.294 3.772 8.121 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.913 2.811 8.703 1.00 0.00 H new ATOM 1164 N PRO A 70 -4.012 5.140 4.101 1.00 0.00 N ATOM 1165 CA PRO A 70 -3.318 5.965 3.126 1.00 0.00 C ATOM 1166 C PRO A 70 -3.041 7.385 3.621 1.00 0.00 C ATOM 1167 O PRO A 70 -3.809 8.315 3.394 1.00 0.00 O ATOM 1168 CB PRO A 70 -4.176 5.942 1.852 1.00 0.00 C ATOM 1169 CG PRO A 70 -5.005 4.672 2.006 1.00 0.00 C ATOM 1170 CD PRO A 70 -5.226 4.591 3.513 1.00 0.00 C ATOM 0 HA PRO A 70 -2.323 5.562 2.934 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.808 6.827 1.777 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.560 5.913 0.953 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.947 4.736 1.462 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.477 3.797 1.627 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -6.104 5.162 3.815 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.390 3.562 3.833 1.00 0.00 H new ATOM 1178 N ASN A 71 -1.893 7.542 4.279 1.00 0.00 N ATOM 1179 CA ASN A 71 -1.347 8.820 4.726 1.00 0.00 C ATOM 1180 C ASN A 71 -1.243 9.822 3.575 1.00 0.00 C ATOM 1181 O ASN A 71 -1.299 11.032 3.774 1.00 0.00 O ATOM 1182 CB ASN A 71 0.047 8.551 5.248 1.00 0.00 C ATOM 1183 CG ASN A 71 0.671 9.774 5.904 1.00 0.00 C ATOM 1184 OD1 ASN A 71 1.654 10.311 5.402 1.00 0.00 O ATOM 1185 ND2 ASN A 71 0.135 10.211 7.039 1.00 0.00 N ATOM 0 H ASN A 71 -1.296 6.752 4.524 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.003 9.244 5.486 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.010 7.735 5.970 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.682 8.220 4.426 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.541 11.015 7.518 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.682 9.743 7.431 1.00 0.00 H new ATOM 1192 N ILE A 72 -1.085 9.272 2.372 1.00 0.00 N ATOM 1193 CA ILE A 72 -1.011 9.983 1.108 1.00 0.00 C ATOM 1194 C ILE A 72 -2.303 9.672 0.340 1.00 0.00 C ATOM 1195 O ILE A 72 -2.695 8.512 0.204 1.00 0.00 O ATOM 1196 CB ILE A 72 0.242 9.578 0.301 1.00 0.00 C ATOM 1197 CG1 ILE A 72 0.497 8.064 0.140 1.00 0.00 C ATOM 1198 CG2 ILE A 72 1.502 10.278 0.825 1.00 0.00 C ATOM 1199 CD1 ILE A 72 1.337 7.421 1.242 1.00 0.00 C ATOM 0 H ILE A 72 -1.001 8.262 2.253 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.919 11.056 1.279 1.00 0.00 H new ATOM 0 HB ILE A 72 0.010 9.925 -0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.465 7.553 0.095 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.992 7.896 -0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.363 9.968 0.233 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.377 11.358 0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.662 10.006 1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.457 6.358 1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.317 7.897 1.277 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.837 7.549 2.202 1.00 0.00 H new