USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 739 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 33 THR OG1 : rot 180:sc= 0.929 USER MOD Set 1.2: A 75 THR OG1 : rot -68:sc= 1.1 USER MOD Set 2.1: A 67 ASN : amide:sc= -0.0219 X(o=-0.022,f=-0.022) USER MOD Set 2.2: A 68 HIS : no HD1:sc= 0 X(o=-0.022,f=-0.022) USER MOD Set 3.1: A 56 GLN : amide:sc= 0.694 K(o=1.1,f=-0.17) USER MOD Set 3.2: A 60 ASN : amide:sc= 0.372 K(o=1.1,f=-0.17) USER MOD Set 4.1: A 28 THR OG1 : rot 180:sc= -0.0999 USER MOD Set 4.2: A 30 ASN : amide:sc= -0.0243 K(o=-0.12,f=-1) USER MOD Set 4.3: A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= 0.2 (180deg=0.163) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot -37:sc= 0.301 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 30:sc= -0.034 USER MOD Single : A 55 SER OG : rot 85:sc= 1.25 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0188 USER MOD Single : A 70 LYS NZ :NH3+ 168:sc= 0.632 (180deg=0.538) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0783 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 142:sc= 1.27 USER MOD Single : A 82 ASN : amide:sc= 0.69 K(o=0.69,f=-5.6!) USER MOD Single : A 83 THR OG1 : rot 70:sc= 1.2 USER MOD Single : A 85 TYR OH : rot 150:sc= 0.478 USER MOD Single : A 88 MET CE :methyl -172:sc= 0 (180deg=-0.0351) USER MOD Single : A 93 ASN : amide:sc= 0.0221 K(o=0.022,f=-9.5!) USER MOD Single : A 95 GLN : amide:sc= -0.325 K(o=-0.32,f=-3.4!) USER MOD Single : A 98 SER OG : rot 90:sc= 0.652 USER MOD Single : A 101 SER OG : rot 110:sc= 0.134 USER MOD Single : A 103 MET CE :methyl -176:sc= 0 (180deg=-0.0647) USER MOD Single : A 104 SER OG : rot 66:sc= 0.478 USER MOD Single : A 109 THR OG1 : rot -151:sc= 1.53 USER MOD Single : A 110 GLN : amide:sc= 1.22 K(o=1.2,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 177 N LEU A 15 9.087 -0.478 -1.954 1.00 0.00 N ATOM 178 CA LEU A 15 7.682 -0.184 -2.167 1.00 0.00 C ATOM 179 C LEU A 15 7.402 1.198 -1.553 1.00 0.00 C ATOM 180 O LEU A 15 8.194 1.666 -0.725 1.00 0.00 O ATOM 181 CB LEU A 15 6.829 -1.307 -1.545 1.00 0.00 C ATOM 182 CG LEU A 15 7.088 -2.700 -2.155 1.00 0.00 C ATOM 183 CD1 LEU A 15 6.397 -3.790 -1.338 1.00 0.00 C ATOM 184 CD2 LEU A 15 6.620 -2.785 -3.609 1.00 0.00 C ATOM 0 HA LEU A 15 7.423 -0.148 -3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.026 -1.348 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.775 -1.058 -1.666 1.00 0.00 H new ATOM 0 HG LEU A 15 8.167 -2.856 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.595 -4.763 -1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.780 -3.778 -0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.322 -3.608 -1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.822 -3.783 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.550 -2.586 -3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.155 -2.047 -4.207 1.00 0.00 H new ATOM 196 N PRO A 16 6.328 1.894 -1.962 1.00 0.00 N ATOM 197 CA PRO A 16 6.001 3.223 -1.461 1.00 0.00 C ATOM 198 C PRO A 16 5.756 3.223 0.048 1.00 0.00 C ATOM 199 O PRO A 16 5.342 2.208 0.618 1.00 0.00 O ATOM 200 CB PRO A 16 4.728 3.656 -2.198 1.00 0.00 C ATOM 201 CG PRO A 16 4.672 2.760 -3.427 1.00 0.00 C ATOM 202 CD PRO A 16 5.389 1.486 -2.985 1.00 0.00 C ATOM 0 HA PRO A 16 6.832 3.906 -1.637 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.845 3.527 -1.573 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.770 4.709 -2.477 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.644 2.557 -3.727 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.168 3.222 -4.281 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.681 0.754 -2.596 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.904 1.017 -3.823 1.00 0.00 H new ATOM 210 N GLY A 17 5.895 4.391 0.671 1.00 0.00 N ATOM 211 CA GLY A 17 5.439 4.604 2.032 1.00 0.00 C ATOM 212 C GLY A 17 3.909 4.466 2.097 1.00 0.00 C ATOM 213 O GLY A 17 3.238 4.754 1.095 1.00 0.00 O ATOM 0 H GLY A 17 6.326 5.211 0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.907 3.880 2.699 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.739 5.594 2.375 1.00 0.00 H new ATOM 217 N PRO A 18 3.328 4.053 3.239 1.00 0.00 N ATOM 218 CA PRO A 18 1.884 3.893 3.369 1.00 0.00 C ATOM 219 C PRO A 18 1.142 5.209 3.080 1.00 0.00 C ATOM 220 O PRO A 18 1.599 6.270 3.534 1.00 0.00 O ATOM 221 CB PRO A 18 1.616 3.438 4.810 1.00 0.00 C ATOM 222 CG PRO A 18 2.983 3.128 5.422 1.00 0.00 C ATOM 223 CD PRO A 18 4.030 3.668 4.451 1.00 0.00 C ATOM 0 HA PRO A 18 1.520 3.163 2.646 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.104 4.217 5.375 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.973 2.558 4.827 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.084 3.597 6.401 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.107 2.055 5.568 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.551 4.522 4.882 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.783 2.910 4.236 1.00 0.00 H new ATOM 231 N PRO A 19 -0.027 5.177 2.407 1.00 0.00 N ATOM 232 CA PRO A 19 -0.934 6.320 2.415 1.00 0.00 C ATOM 233 C PRO A 19 -1.442 6.594 3.840 1.00 0.00 C ATOM 234 O PRO A 19 -1.292 5.771 4.753 1.00 0.00 O ATOM 235 CB PRO A 19 -2.091 5.962 1.471 1.00 0.00 C ATOM 236 CG PRO A 19 -1.648 4.681 0.763 1.00 0.00 C ATOM 237 CD PRO A 19 -0.674 4.045 1.753 1.00 0.00 C ATOM 0 HA PRO A 19 -0.433 7.229 2.083 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.017 5.806 2.024 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.278 6.763 0.756 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.493 4.025 0.554 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.167 4.896 -0.191 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.195 3.415 2.474 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.053 3.412 1.244 1.00 0.00 H new ATOM 245 N SER A 20 -2.080 7.744 4.035 1.00 0.00 N ATOM 246 CA SER A 20 -2.741 8.066 5.288 1.00 0.00 C ATOM 247 C SER A 20 -4.181 7.544 5.252 1.00 0.00 C ATOM 248 O SER A 20 -4.706 7.213 4.188 1.00 0.00 O ATOM 249 CB SER A 20 -2.636 9.577 5.496 1.00 0.00 C ATOM 250 OG SER A 20 -1.287 9.894 5.818 1.00 0.00 O ATOM 0 H SER A 20 -2.151 8.476 3.328 1.00 0.00 H new ATOM 0 HA SER A 20 -2.267 7.581 6.142 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.945 10.106 4.595 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.302 9.897 6.297 1.00 0.00 H new ATOM 0 HG SER A 20 -1.201 10.861 5.953 1.00 0.00 H new ATOM 256 N LYS A 21 -4.816 7.448 6.427 1.00 0.00 N ATOM 257 CA LYS A 21 -6.164 6.908 6.560 1.00 0.00 C ATOM 258 C LYS A 21 -7.126 7.713 5.679 1.00 0.00 C ATOM 259 O LYS A 21 -7.152 8.940 5.847 1.00 0.00 O ATOM 260 CB LYS A 21 -6.605 6.965 8.032 1.00 0.00 C ATOM 261 CG LYS A 21 -7.957 6.260 8.240 1.00 0.00 C ATOM 262 CD LYS A 21 -9.050 7.192 8.767 1.00 0.00 C ATOM 263 CE LYS A 21 -10.398 6.485 8.702 1.00 0.00 C ATOM 264 NZ LYS A 21 -11.493 7.241 9.340 1.00 0.00 N ATOM 0 H LYS A 21 -4.403 7.745 7.311 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.175 5.868 6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.847 6.495 8.659 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.682 8.005 8.350 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.283 5.827 7.294 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.825 5.434 8.939 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.830 7.483 9.794 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.079 8.107 8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.653 6.303 7.658 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.312 5.511 9.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.403 6.791 9.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.356 7.247 10.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.493 8.218 8.985 1.00 0.00 H new ATOM 278 N PRO A 22 -7.897 7.087 4.772 1.00 0.00 N ATOM 279 CA PRO A 22 -8.871 7.811 3.987 1.00 0.00 C ATOM 280 C PRO A 22 -9.989 8.367 4.848 1.00 0.00 C ATOM 281 O PRO A 22 -10.285 7.872 5.938 1.00 0.00 O ATOM 282 CB PRO A 22 -9.441 6.850 2.945 1.00 0.00 C ATOM 283 CG PRO A 22 -9.120 5.476 3.525 1.00 0.00 C ATOM 284 CD PRO A 22 -7.853 5.700 4.351 1.00 0.00 C ATOM 0 HA PRO A 22 -8.385 8.662 3.509 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.514 6.990 2.812 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.977 6.993 1.969 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.937 5.105 4.143 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -8.956 4.740 2.738 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.823 5.031 5.211 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.960 5.499 3.760 1.00 0.00 H new ATOM 292 N GLN A 23 -10.624 9.388 4.292 1.00 0.00 N ATOM 293 CA GLN A 23 -11.676 10.189 4.874 1.00 0.00 C ATOM 294 C GLN A 23 -12.719 10.336 3.810 1.00 0.00 C ATOM 295 O GLN A 23 -12.457 10.849 2.722 1.00 0.00 O ATOM 296 CB GLN A 23 -11.139 11.547 5.334 1.00 0.00 C ATOM 297 CG GLN A 23 -10.031 11.234 6.328 1.00 0.00 C ATOM 298 CD GLN A 23 -9.514 12.414 7.134 1.00 0.00 C ATOM 299 OE1 GLN A 23 -8.814 13.277 6.605 1.00 0.00 O ATOM 300 NE2 GLN A 23 -9.793 12.430 8.425 1.00 0.00 N ATOM 0 H GLN A 23 -10.394 9.697 3.348 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.094 9.718 5.763 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -10.758 12.124 4.491 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -11.925 12.142 5.798 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -10.394 10.476 7.021 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.194 10.795 5.785 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -10.377 11.698 8.830 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.425 13.174 9.017 1.00 0.00 H new ATOM 309 N VAL A 24 -13.888 9.828 4.123 1.00 0.00 N ATOM 310 CA VAL A 24 -15.054 9.935 3.323 1.00 0.00 C ATOM 311 C VAL A 24 -15.452 11.411 3.196 1.00 0.00 C ATOM 312 O VAL A 24 -15.007 12.256 3.982 1.00 0.00 O ATOM 313 CB VAL A 24 -16.099 9.077 4.023 1.00 0.00 C ATOM 314 CG1 VAL A 24 -15.807 7.573 3.990 1.00 0.00 C ATOM 315 CG2 VAL A 24 -16.449 9.526 5.436 1.00 0.00 C ATOM 0 H VAL A 24 -14.044 9.307 4.986 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.920 9.584 2.300 1.00 0.00 H new ATOM 0 HB VAL A 24 -16.986 9.246 3.412 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -16.600 7.037 4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -15.759 7.234 2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -14.854 7.377 4.481 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -17.200 8.857 5.855 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -15.554 9.502 6.058 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -16.843 10.542 5.408 1.00 0.00 H new ATOM 325 N THR A 25 -16.272 11.718 2.202 1.00 0.00 N ATOM 326 CA THR A 25 -16.768 13.057 1.929 1.00 0.00 C ATOM 327 C THR A 25 -18.236 12.970 1.505 1.00 0.00 C ATOM 328 O THR A 25 -19.120 13.216 2.325 1.00 0.00 O ATOM 329 CB THR A 25 -15.852 13.774 0.919 1.00 0.00 C ATOM 330 OG1 THR A 25 -15.637 12.976 -0.228 1.00 0.00 O ATOM 331 CG2 THR A 25 -14.463 14.105 1.472 1.00 0.00 C ATOM 0 H THR A 25 -16.621 11.021 1.544 1.00 0.00 H new ATOM 0 HA THR A 25 -16.740 13.675 2.827 1.00 0.00 H new ATOM 0 HB THR A 25 -16.380 14.699 0.686 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.570 12.035 0.036 1.00 0.00 H new ATOM 0 HG21 THR A 25 -13.876 14.608 0.704 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.563 14.758 2.339 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.960 13.184 1.768 1.00 0.00 H new ATOM 339 N ASP A 26 -18.500 12.625 0.248 1.00 0.00 N ATOM 340 CA ASP A 26 -19.817 12.301 -0.282 1.00 0.00 C ATOM 341 C ASP A 26 -20.152 10.867 0.110 1.00 0.00 C ATOM 342 O ASP A 26 -19.273 10.012 0.052 1.00 0.00 O ATOM 343 CB ASP A 26 -19.799 12.414 -1.812 1.00 0.00 C ATOM 344 CG ASP A 26 -21.125 12.019 -2.472 1.00 0.00 C ATOM 345 OD1 ASP A 26 -22.162 12.661 -2.198 1.00 0.00 O ATOM 346 OD2 ASP A 26 -21.102 11.114 -3.343 1.00 0.00 O ATOM 0 H ASP A 26 -17.768 12.561 -0.459 1.00 0.00 H new ATOM 0 HA ASP A 26 -20.561 12.990 0.119 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -19.556 13.440 -2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -19.004 11.781 -2.205 1.00 0.00 H new ATOM 351 N VAL A 27 -21.407 10.572 0.430 1.00 0.00 N ATOM 352 CA VAL A 27 -21.950 9.219 0.434 1.00 0.00 C ATOM 353 C VAL A 27 -23.380 9.296 -0.064 1.00 0.00 C ATOM 354 O VAL A 27 -24.078 10.267 0.220 1.00 0.00 O ATOM 355 CB VAL A 27 -21.826 8.565 1.824 1.00 0.00 C ATOM 356 CG1 VAL A 27 -22.486 9.351 2.965 1.00 0.00 C ATOM 357 CG2 VAL A 27 -22.396 7.134 1.834 1.00 0.00 C ATOM 0 H VAL A 27 -22.089 11.281 0.699 1.00 0.00 H new ATOM 0 HA VAL A 27 -21.378 8.572 -0.232 1.00 0.00 H new ATOM 0 HB VAL A 27 -20.752 8.556 2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -22.348 8.815 3.904 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -22.028 10.337 3.040 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -23.552 9.460 2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -22.290 6.707 2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -23.451 7.161 1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -21.851 6.520 1.117 1.00 0.00 H new ATOM 367 N THR A 28 -23.841 8.266 -0.772 1.00 0.00 N ATOM 368 CA THR A 28 -25.117 8.360 -1.482 1.00 0.00 C ATOM 369 C THR A 28 -26.135 7.357 -0.981 1.00 0.00 C ATOM 370 O THR A 28 -27.183 7.749 -0.477 1.00 0.00 O ATOM 371 CB THR A 28 -24.889 8.297 -3.010 1.00 0.00 C ATOM 372 OG1 THR A 28 -24.658 6.976 -3.489 1.00 0.00 O ATOM 373 CG2 THR A 28 -23.719 9.145 -3.509 1.00 0.00 C ATOM 0 H THR A 28 -23.361 7.371 -0.869 1.00 0.00 H new ATOM 0 HA THR A 28 -25.557 9.333 -1.264 1.00 0.00 H new ATOM 0 HB THR A 28 -25.825 8.696 -3.401 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.523 6.999 -4.459 1.00 0.00 H new ATOM 0 HG21 THR A 28 -23.631 9.043 -4.591 1.00 0.00 H new ATOM 0 HG22 THR A 28 -23.894 10.191 -3.257 1.00 0.00 H new ATOM 0 HG23 THR A 28 -22.797 8.807 -3.036 1.00 0.00 H new ATOM 381 N LYS A 29 -25.814 6.074 -1.135 1.00 0.00 N ATOM 382 CA LYS A 29 -26.575 4.863 -0.848 1.00 0.00 C ATOM 383 C LYS A 29 -25.795 3.669 -1.394 1.00 0.00 C ATOM 384 O LYS A 29 -25.773 2.617 -0.779 1.00 0.00 O ATOM 385 CB LYS A 29 -27.989 4.931 -1.455 1.00 0.00 C ATOM 386 CG LYS A 29 -28.058 4.865 -2.988 1.00 0.00 C ATOM 387 CD LYS A 29 -29.147 5.801 -3.491 1.00 0.00 C ATOM 388 CE LYS A 29 -29.363 5.676 -4.996 1.00 0.00 C ATOM 389 NZ LYS A 29 -30.196 6.802 -5.465 1.00 0.00 N ATOM 0 H LYS A 29 -24.898 5.831 -1.512 1.00 0.00 H new ATOM 0 HA LYS A 29 -26.705 4.758 0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.580 4.111 -1.047 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.461 5.857 -1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.096 5.146 -3.418 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -28.265 3.844 -3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -30.080 5.582 -2.972 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -28.881 6.830 -3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -28.404 5.678 -5.514 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -29.849 4.728 -5.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -30.345 6.720 -6.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -31.115 6.780 -4.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -29.715 7.700 -5.256 1.00 0.00 H new ATOM 403 N ASN A 30 -25.103 3.824 -2.517 1.00 0.00 N ATOM 404 CA ASN A 30 -24.274 2.791 -3.133 1.00 0.00 C ATOM 405 C ASN A 30 -22.966 3.376 -3.649 1.00 0.00 C ATOM 406 O ASN A 30 -22.184 2.649 -4.259 1.00 0.00 O ATOM 407 CB ASN A 30 -25.020 2.054 -4.253 1.00 0.00 C ATOM 408 CG ASN A 30 -25.846 2.986 -5.114 1.00 0.00 C ATOM 409 OD1 ASN A 30 -25.424 4.084 -5.458 1.00 0.00 O ATOM 410 ND2 ASN A 30 -27.080 2.582 -5.344 1.00 0.00 N ATOM 0 H ASN A 30 -25.103 4.699 -3.041 1.00 0.00 H new ATOM 0 HA ASN A 30 -24.041 2.060 -2.359 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -24.299 1.529 -4.880 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -25.671 1.298 -3.814 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -27.735 3.194 -5.830 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -27.380 1.657 -5.036 1.00 0.00 H new ATOM 417 N SER A 31 -22.696 4.653 -3.383 1.00 0.00 N ATOM 418 CA SER A 31 -21.440 5.293 -3.710 1.00 0.00 C ATOM 419 C SER A 31 -20.954 6.073 -2.487 1.00 0.00 C ATOM 420 O SER A 31 -21.773 6.444 -1.637 1.00 0.00 O ATOM 421 CB SER A 31 -21.640 6.196 -4.935 1.00 0.00 C ATOM 422 OG SER A 31 -22.489 5.590 -5.907 1.00 0.00 O ATOM 0 H SER A 31 -23.362 5.276 -2.926 1.00 0.00 H new ATOM 0 HA SER A 31 -20.677 4.558 -3.965 1.00 0.00 H new ATOM 0 HB2 SER A 31 -22.070 7.147 -4.619 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.672 6.417 -5.385 1.00 0.00 H new ATOM 0 HG SER A 31 -22.594 6.194 -6.671 1.00 0.00 H new ATOM 428 N VAL A 32 -19.644 6.302 -2.389 1.00 0.00 N ATOM 429 CA VAL A 32 -19.005 7.107 -1.354 1.00 0.00 C ATOM 430 C VAL A 32 -17.675 7.621 -1.913 1.00 0.00 C ATOM 431 O VAL A 32 -16.935 6.869 -2.552 1.00 0.00 O ATOM 432 CB VAL A 32 -18.892 6.317 -0.021 1.00 0.00 C ATOM 433 CG1 VAL A 32 -18.261 4.931 -0.120 1.00 0.00 C ATOM 434 CG2 VAL A 32 -18.131 7.062 1.073 1.00 0.00 C ATOM 0 H VAL A 32 -18.975 5.916 -3.055 1.00 0.00 H new ATOM 0 HA VAL A 32 -19.609 7.977 -1.094 1.00 0.00 H new ATOM 0 HB VAL A 32 -19.945 6.206 0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -18.233 4.472 0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -18.852 4.309 -0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -17.246 5.020 -0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -18.093 6.448 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -17.116 7.270 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -18.639 8.000 1.295 1.00 0.00 H new ATOM 444 N THR A 33 -17.381 8.903 -1.714 1.00 0.00 N ATOM 445 CA THR A 33 -16.146 9.532 -2.147 1.00 0.00 C ATOM 446 C THR A 33 -15.160 9.544 -0.993 1.00 0.00 C ATOM 447 O THR A 33 -15.467 10.020 0.102 1.00 0.00 O ATOM 448 CB THR A 33 -16.414 10.939 -2.682 1.00 0.00 C ATOM 449 OG1 THR A 33 -17.280 10.831 -3.789 1.00 0.00 O ATOM 450 CG2 THR A 33 -15.118 11.652 -3.100 1.00 0.00 C ATOM 0 H THR A 33 -18.013 9.545 -1.235 1.00 0.00 H new ATOM 0 HA THR A 33 -15.711 8.960 -2.966 1.00 0.00 H new ATOM 0 HB THR A 33 -16.866 11.536 -1.890 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.466 11.724 -4.147 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.355 12.648 -3.474 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.455 11.736 -2.239 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.624 11.078 -3.884 1.00 0.00 H new ATOM 458 N LEU A 34 -13.960 9.053 -1.274 1.00 0.00 N ATOM 459 CA LEU A 34 -12.853 8.887 -0.361 1.00 0.00 C ATOM 460 C LEU A 34 -11.762 9.837 -0.797 1.00 0.00 C ATOM 461 O LEU A 34 -11.303 9.772 -1.935 1.00 0.00 O ATOM 462 CB LEU A 34 -12.341 7.446 -0.446 1.00 0.00 C ATOM 463 CG LEU A 34 -13.354 6.438 0.109 1.00 0.00 C ATOM 464 CD1 LEU A 34 -13.060 5.022 -0.381 1.00 0.00 C ATOM 465 CD2 LEU A 34 -13.334 6.476 1.636 1.00 0.00 C ATOM 0 H LEU A 34 -13.725 8.740 -2.216 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.158 9.094 0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.120 7.202 -1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.406 7.361 0.108 1.00 0.00 H new ATOM 0 HG LEU A 34 -14.343 6.718 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -13.797 4.334 0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -13.109 4.996 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -12.063 4.724 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -14.055 5.758 2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.337 6.220 1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.596 7.477 1.979 1.00 0.00 H new ATOM 477 N SER A 35 -11.362 10.706 0.116 1.00 0.00 N ATOM 478 CA SER A 35 -10.091 11.396 0.085 1.00 0.00 C ATOM 479 C SER A 35 -9.121 10.554 0.889 1.00 0.00 C ATOM 480 O SER A 35 -9.510 9.911 1.855 1.00 0.00 O ATOM 481 CB SER A 35 -10.274 12.781 0.714 1.00 0.00 C ATOM 482 OG SER A 35 -9.073 13.528 0.808 1.00 0.00 O ATOM 0 H SER A 35 -11.934 10.956 0.923 1.00 0.00 H new ATOM 0 HA SER A 35 -9.714 11.532 -0.929 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.997 13.345 0.125 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.698 12.664 1.711 1.00 0.00 H new ATOM 0 HG SER A 35 -9.261 14.399 1.215 1.00 0.00 H new ATOM 488 N TRP A 36 -7.858 10.564 0.514 1.00 0.00 N ATOM 489 CA TRP A 36 -6.730 10.253 1.382 1.00 0.00 C ATOM 490 C TRP A 36 -5.607 11.228 1.058 1.00 0.00 C ATOM 491 O TRP A 36 -5.716 12.013 0.111 1.00 0.00 O ATOM 492 CB TRP A 36 -6.299 8.792 1.262 1.00 0.00 C ATOM 493 CG TRP A 36 -5.991 8.366 -0.131 1.00 0.00 C ATOM 494 CD1 TRP A 36 -4.775 8.375 -0.718 1.00 0.00 C ATOM 495 CD2 TRP A 36 -6.934 7.916 -1.144 1.00 0.00 C ATOM 496 NE1 TRP A 36 -4.898 7.952 -2.026 1.00 0.00 N ATOM 497 CE2 TRP A 36 -6.204 7.637 -2.334 1.00 0.00 C ATOM 498 CE3 TRP A 36 -8.332 7.712 -1.171 1.00 0.00 C ATOM 499 CZ2 TRP A 36 -6.828 7.161 -3.493 1.00 0.00 C ATOM 500 CZ3 TRP A 36 -8.974 7.238 -2.327 1.00 0.00 C ATOM 501 CH2 TRP A 36 -8.218 6.962 -3.483 1.00 0.00 C ATOM 0 H TRP A 36 -7.574 10.797 -0.438 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.019 10.373 2.426 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -5.418 8.631 1.884 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.090 8.156 1.659 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.852 8.667 -0.240 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -4.120 7.881 -2.682 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.917 7.924 -0.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.250 6.950 -4.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -10.043 7.086 -2.329 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -8.712 6.594 -4.370 1.00 0.00 H new ATOM 512 N GLN A 37 -4.546 11.210 1.856 1.00 0.00 N ATOM 513 CA GLN A 37 -3.293 11.882 1.562 1.00 0.00 C ATOM 514 C GLN A 37 -2.241 10.809 1.241 1.00 0.00 C ATOM 515 O GLN A 37 -2.289 9.710 1.809 1.00 0.00 O ATOM 516 CB GLN A 37 -2.899 12.768 2.749 1.00 0.00 C ATOM 517 CG GLN A 37 -3.978 13.836 2.993 1.00 0.00 C ATOM 518 CD GLN A 37 -3.714 14.641 4.253 1.00 0.00 C ATOM 519 OE1 GLN A 37 -3.396 14.087 5.306 1.00 0.00 O ATOM 520 NE2 GLN A 37 -3.904 15.948 4.194 1.00 0.00 N ATOM 0 H GLN A 37 -4.536 10.714 2.747 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.382 12.539 0.697 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.773 12.157 3.643 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.940 13.247 2.552 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.021 14.509 2.136 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.953 13.354 3.069 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.167 16.386 3.311 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.788 16.519 5.031 1.00 0.00 H new ATOM 529 N PRO A 38 -1.327 11.085 0.299 1.00 0.00 N ATOM 530 CA PRO A 38 -0.426 10.091 -0.275 1.00 0.00 C ATOM 531 C PRO A 38 0.789 9.824 0.624 1.00 0.00 C ATOM 532 O PRO A 38 1.168 10.687 1.418 1.00 0.00 O ATOM 533 CB PRO A 38 -0.012 10.693 -1.627 1.00 0.00 C ATOM 534 CG PRO A 38 -0.080 12.204 -1.395 1.00 0.00 C ATOM 535 CD PRO A 38 -1.200 12.363 -0.381 1.00 0.00 C ATOM 0 HA PRO A 38 -0.906 9.118 -0.382 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.991 10.378 -1.914 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.685 10.381 -2.426 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.864 12.593 -1.013 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.296 12.741 -2.318 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.971 13.158 0.328 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.134 12.634 -0.874 1.00 0.00 H new ATOM 543 N GLY A 39 1.439 8.667 0.461 1.00 0.00 N ATOM 544 CA GLY A 39 2.706 8.346 1.111 1.00 0.00 C ATOM 545 C GLY A 39 3.908 8.682 0.223 1.00 0.00 C ATOM 546 O GLY A 39 3.751 9.220 -0.875 1.00 0.00 O ATOM 0 H GLY A 39 1.091 7.918 -0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.782 8.897 2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.726 7.286 1.362 1.00 0.00 H new ATOM 550 N THR A 40 5.110 8.356 0.690 1.00 0.00 N ATOM 551 CA THR A 40 6.378 8.626 0.018 1.00 0.00 C ATOM 552 C THR A 40 6.594 7.675 -1.173 1.00 0.00 C ATOM 553 O THR A 40 6.048 6.572 -1.189 1.00 0.00 O ATOM 554 CB THR A 40 7.524 8.558 1.059 1.00 0.00 C ATOM 555 OG1 THR A 40 7.864 9.879 1.438 1.00 0.00 O ATOM 556 CG2 THR A 40 8.824 7.864 0.633 1.00 0.00 C ATOM 0 H THR A 40 5.232 7.877 1.582 1.00 0.00 H new ATOM 0 HA THR A 40 6.364 9.630 -0.407 1.00 0.00 H new ATOM 0 HB THR A 40 7.115 7.942 1.860 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.588 9.854 2.099 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.537 7.889 1.457 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.613 6.828 0.367 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.247 8.381 -0.229 1.00 0.00 H new ATOM 564 N PRO A 41 7.392 8.082 -2.173 1.00 0.00 N ATOM 565 CA PRO A 41 8.016 7.217 -3.170 1.00 0.00 C ATOM 566 C PRO A 41 9.260 6.545 -2.565 1.00 0.00 C ATOM 567 O PRO A 41 9.130 5.614 -1.771 1.00 0.00 O ATOM 568 CB PRO A 41 8.275 8.166 -4.342 1.00 0.00 C ATOM 569 CG PRO A 41 8.549 9.520 -3.686 1.00 0.00 C ATOM 570 CD PRO A 41 7.717 9.477 -2.407 1.00 0.00 C ATOM 0 HA PRO A 41 7.416 6.372 -3.508 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.124 7.836 -4.940 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.415 8.215 -5.010 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.609 9.653 -3.470 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.249 10.346 -4.331 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.275 9.891 -1.567 1.00 0.00 H new ATOM 0 HD3 PRO A 41 6.811 10.074 -2.513 1.00 0.00 H new ATOM 578 N GLY A 42 10.447 7.046 -2.891 1.00 0.00 N ATOM 579 CA GLY A 42 11.714 6.864 -2.211 1.00 0.00 C ATOM 580 C GLY A 42 12.615 6.006 -3.079 1.00 0.00 C ATOM 581 O GLY A 42 13.264 6.493 -4.010 1.00 0.00 O ATOM 0 H GLY A 42 10.550 7.642 -3.712 1.00 0.00 H new ATOM 0 HA2 GLY A 42 12.182 7.830 -2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.558 6.388 -1.243 1.00 0.00 H new ATOM 585 N THR A 43 12.558 4.707 -2.826 1.00 0.00 N ATOM 586 CA THR A 43 13.221 3.642 -3.550 1.00 0.00 C ATOM 587 C THR A 43 12.854 3.710 -5.026 1.00 0.00 C ATOM 588 O THR A 43 13.720 3.907 -5.883 1.00 0.00 O ATOM 589 CB THR A 43 12.812 2.320 -2.879 1.00 0.00 C ATOM 590 OG1 THR A 43 11.497 2.395 -2.323 1.00 0.00 O ATOM 591 CG2 THR A 43 13.811 2.010 -1.771 1.00 0.00 C ATOM 0 H THR A 43 12.004 4.347 -2.049 1.00 0.00 H new ATOM 0 HA THR A 43 14.307 3.732 -3.512 1.00 0.00 H new ATOM 0 HB THR A 43 12.810 1.533 -3.634 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.269 1.538 -1.906 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.536 1.075 -1.284 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.810 1.917 -2.197 1.00 0.00 H new ATOM 0 HG23 THR A 43 13.803 2.817 -1.038 1.00 0.00 H new ATOM 599 N LEU A 44 11.554 3.682 -5.308 1.00 0.00 N ATOM 600 CA LEU A 44 10.983 3.880 -6.626 1.00 0.00 C ATOM 601 C LEU A 44 9.799 4.843 -6.519 1.00 0.00 C ATOM 602 O LEU A 44 9.236 5.001 -5.428 1.00 0.00 O ATOM 603 CB LEU A 44 10.537 2.519 -7.176 1.00 0.00 C ATOM 604 CG LEU A 44 11.694 1.625 -7.655 1.00 0.00 C ATOM 605 CD1 LEU A 44 11.184 0.191 -7.811 1.00 0.00 C ATOM 606 CD2 LEU A 44 12.251 2.120 -8.996 1.00 0.00 C ATOM 0 H LEU A 44 10.847 3.514 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 44 11.718 4.312 -7.306 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.981 1.991 -6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.850 2.682 -8.007 1.00 0.00 H new ATOM 0 HG LEU A 44 12.496 1.662 -6.917 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.998 -0.450 -8.150 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.814 -0.170 -6.851 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.376 0.170 -8.543 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.068 1.471 -9.313 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.461 2.102 -9.747 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.621 3.139 -8.883 1.00 0.00 H new ATOM 618 N PRO A 45 9.398 5.459 -7.638 1.00 0.00 N ATOM 619 CA PRO A 45 8.198 6.269 -7.739 1.00 0.00 C ATOM 620 C PRO A 45 6.989 5.356 -7.780 1.00 0.00 C ATOM 621 O PRO A 45 7.058 4.209 -8.218 1.00 0.00 O ATOM 622 CB PRO A 45 8.364 7.037 -9.053 1.00 0.00 C ATOM 623 CG PRO A 45 9.125 6.048 -9.935 1.00 0.00 C ATOM 624 CD PRO A 45 9.997 5.279 -8.952 1.00 0.00 C ATOM 0 HA PRO A 45 8.056 6.948 -6.898 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.401 7.307 -9.487 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.921 7.963 -8.912 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.445 5.385 -10.470 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.726 6.562 -10.685 1.00 0.00 H new ATOM 0 HD2 PRO A 45 10.041 4.223 -9.217 1.00 0.00 H new ATOM 0 HD3 PRO A 45 11.020 5.654 -8.966 1.00 0.00 H new ATOM 632 N ALA A 46 5.859 5.893 -7.344 1.00 0.00 N ATOM 633 CA ALA A 46 4.587 5.234 -7.511 1.00 0.00 C ATOM 634 C ALA A 46 4.221 5.151 -8.995 1.00 0.00 C ATOM 635 O ALA A 46 4.726 5.889 -9.844 1.00 0.00 O ATOM 636 CB ALA A 46 3.556 6.002 -6.695 1.00 0.00 C ATOM 0 H ALA A 46 5.805 6.793 -6.868 1.00 0.00 H new ATOM 0 HA ALA A 46 4.626 4.206 -7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.581 5.527 -6.801 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.848 6.000 -5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.500 7.030 -7.054 1.00 0.00 H new ATOM 642 N SER A 47 3.290 4.256 -9.286 1.00 0.00 N ATOM 643 CA SER A 47 2.804 3.874 -10.599 1.00 0.00 C ATOM 644 C SER A 47 1.306 4.171 -10.688 1.00 0.00 C ATOM 645 O SER A 47 0.854 4.700 -11.702 1.00 0.00 O ATOM 646 CB SER A 47 3.094 2.378 -10.778 1.00 0.00 C ATOM 647 OG SER A 47 4.393 2.117 -11.267 1.00 0.00 O ATOM 0 H SER A 47 2.817 3.736 -8.547 1.00 0.00 H new ATOM 0 HA SER A 47 3.298 4.436 -11.391 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.965 1.873 -9.821 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.362 1.952 -11.465 1.00 0.00 H new ATOM 0 HG SER A 47 4.520 1.150 -11.359 1.00 0.00 H new ATOM 653 N ALA A 48 0.528 3.840 -9.650 1.00 0.00 N ATOM 654 CA ALA A 48 -0.865 4.240 -9.478 1.00 0.00 C ATOM 655 C ALA A 48 -1.272 3.906 -8.039 1.00 0.00 C ATOM 656 O ALA A 48 -0.407 3.655 -7.202 1.00 0.00 O ATOM 657 CB ALA A 48 -1.774 3.526 -10.486 1.00 0.00 C ATOM 0 H ALA A 48 0.869 3.264 -8.880 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.972 5.309 -9.661 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.806 3.843 -10.334 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.462 3.778 -11.500 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.701 2.448 -10.342 1.00 0.00 H new ATOM 663 N TYR A 49 -2.568 3.895 -7.740 1.00 0.00 N ATOM 664 CA TYR A 49 -3.182 3.478 -6.489 1.00 0.00 C ATOM 665 C TYR A 49 -4.292 2.473 -6.808 1.00 0.00 C ATOM 666 O TYR A 49 -4.813 2.425 -7.927 1.00 0.00 O ATOM 667 CB TYR A 49 -3.742 4.702 -5.727 1.00 0.00 C ATOM 668 CG TYR A 49 -2.769 5.468 -4.838 1.00 0.00 C ATOM 669 CD1 TYR A 49 -1.534 5.976 -5.291 1.00 0.00 C ATOM 670 CD2 TYR A 49 -3.145 5.700 -3.509 1.00 0.00 C ATOM 671 CE1 TYR A 49 -0.676 6.666 -4.411 1.00 0.00 C ATOM 672 CE2 TYR A 49 -2.293 6.360 -2.613 1.00 0.00 C ATOM 673 CZ TYR A 49 -1.051 6.845 -3.060 1.00 0.00 C ATOM 674 OH TYR A 49 -0.251 7.485 -2.172 1.00 0.00 O ATOM 0 H TYR A 49 -3.266 4.201 -8.418 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.439 3.007 -5.846 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.152 5.398 -6.459 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.573 4.364 -5.108 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.243 5.835 -6.321 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.112 5.363 -3.167 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.265 7.057 -4.768 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.589 6.496 -1.583 1.00 0.00 H new ATOM 0 HH TYR A 49 0.287 8.156 -2.641 1.00 0.00 H new ATOM 684 N ILE A 50 -4.685 1.709 -5.799 1.00 0.00 N ATOM 685 CA ILE A 50 -5.826 0.811 -5.752 1.00 0.00 C ATOM 686 C ILE A 50 -6.632 1.197 -4.506 1.00 0.00 C ATOM 687 O ILE A 50 -6.078 1.716 -3.534 1.00 0.00 O ATOM 688 CB ILE A 50 -5.313 -0.657 -5.736 1.00 0.00 C ATOM 689 CG1 ILE A 50 -5.094 -1.165 -7.176 1.00 0.00 C ATOM 690 CG2 ILE A 50 -6.231 -1.631 -4.992 1.00 0.00 C ATOM 691 CD1 ILE A 50 -4.373 -2.515 -7.232 1.00 0.00 C ATOM 0 H ILE A 50 -4.169 1.702 -4.919 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.476 0.893 -6.623 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.371 -0.631 -5.188 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.059 -1.254 -7.675 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.515 -0.427 -7.731 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.803 -2.633 -5.027 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.332 -1.315 -3.954 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.213 -1.639 -5.465 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.249 -2.818 -8.272 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.394 -2.425 -6.761 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.962 -3.264 -6.703 1.00 0.00 H new ATOM 703 N ILE A 51 -7.925 0.876 -4.506 1.00 0.00 N ATOM 704 CA ILE A 51 -8.731 0.775 -3.300 1.00 0.00 C ATOM 705 C ILE A 51 -9.287 -0.639 -3.307 1.00 0.00 C ATOM 706 O ILE A 51 -9.771 -1.122 -4.335 1.00 0.00 O ATOM 707 CB ILE A 51 -9.859 1.826 -3.253 1.00 0.00 C ATOM 708 CG1 ILE A 51 -9.288 3.249 -3.385 1.00 0.00 C ATOM 709 CG2 ILE A 51 -10.696 1.718 -1.961 1.00 0.00 C ATOM 710 CD1 ILE A 51 -10.397 4.291 -3.504 1.00 0.00 C ATOM 0 H ILE A 51 -8.446 0.676 -5.360 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.131 0.974 -2.412 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.516 1.623 -4.099 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.668 3.475 -2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.642 3.303 -4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.479 2.477 -1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.150 0.729 -1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.051 1.872 -1.096 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.956 5.283 -3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -11.001 4.080 -4.386 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -11.027 4.255 -2.615 1.00 0.00 H new ATOM 722 N GLU A 52 -9.247 -1.279 -2.150 1.00 0.00 N ATOM 723 CA GLU A 52 -9.956 -2.502 -1.844 1.00 0.00 C ATOM 724 C GLU A 52 -11.053 -2.125 -0.853 1.00 0.00 C ATOM 725 O GLU A 52 -10.904 -1.151 -0.118 1.00 0.00 O ATOM 726 CB GLU A 52 -8.985 -3.571 -1.301 1.00 0.00 C ATOM 727 CG GLU A 52 -7.853 -3.791 -2.312 1.00 0.00 C ATOM 728 CD GLU A 52 -6.918 -4.975 -2.053 1.00 0.00 C ATOM 729 OE1 GLU A 52 -7.090 -5.730 -1.074 1.00 0.00 O ATOM 730 OE2 GLU A 52 -6.051 -5.228 -2.928 1.00 0.00 O ATOM 0 H GLU A 52 -8.692 -0.941 -1.364 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.405 -2.950 -2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.575 -3.252 -0.343 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.517 -4.506 -1.125 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.299 -3.919 -3.299 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.250 -2.884 -2.350 1.00 0.00 H new ATOM 737 N ALA A 53 -12.148 -2.874 -0.819 1.00 0.00 N ATOM 738 CA ALA A 53 -13.234 -2.719 0.134 1.00 0.00 C ATOM 739 C ALA A 53 -13.659 -4.103 0.576 1.00 0.00 C ATOM 740 O ALA A 53 -13.543 -5.071 -0.186 1.00 0.00 O ATOM 741 CB ALA A 53 -14.431 -2.024 -0.521 1.00 0.00 C ATOM 0 H ALA A 53 -12.308 -3.634 -1.480 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.898 -2.115 0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -15.234 -1.917 0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.130 -1.038 -0.876 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.783 -2.621 -1.362 1.00 0.00 H new ATOM 747 N PHE A 54 -14.251 -4.163 1.755 1.00 0.00 N ATOM 748 CA PHE A 54 -14.802 -5.355 2.357 1.00 0.00 C ATOM 749 C PHE A 54 -16.186 -4.999 2.878 1.00 0.00 C ATOM 750 O PHE A 54 -16.415 -3.852 3.254 1.00 0.00 O ATOM 751 CB PHE A 54 -13.851 -5.805 3.475 1.00 0.00 C ATOM 752 CG PHE A 54 -14.391 -6.796 4.485 1.00 0.00 C ATOM 753 CD1 PHE A 54 -15.200 -6.349 5.549 1.00 0.00 C ATOM 754 CD2 PHE A 54 -14.037 -8.155 4.406 1.00 0.00 C ATOM 755 CE1 PHE A 54 -15.650 -7.251 6.525 1.00 0.00 C ATOM 756 CE2 PHE A 54 -14.498 -9.060 5.376 1.00 0.00 C ATOM 757 CZ PHE A 54 -15.302 -8.608 6.436 1.00 0.00 C ATOM 0 H PHE A 54 -14.364 -3.339 2.345 1.00 0.00 H new ATOM 0 HA PHE A 54 -14.900 -6.181 1.652 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.967 -6.243 3.011 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.521 -4.918 4.015 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -15.475 -5.307 5.613 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.410 -8.503 3.598 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -16.263 -6.902 7.343 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.234 -10.105 5.307 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.652 -9.305 7.183 1.00 0.00 H new ATOM 767 N SER A 55 -17.077 -5.979 2.978 1.00 0.00 N ATOM 768 CA SER A 55 -18.266 -5.896 3.802 1.00 0.00 C ATOM 769 C SER A 55 -18.625 -7.316 4.176 1.00 0.00 C ATOM 770 O SER A 55 -18.696 -8.200 3.311 1.00 0.00 O ATOM 771 CB SER A 55 -19.422 -5.315 3.009 1.00 0.00 C ATOM 772 OG SER A 55 -20.570 -5.136 3.813 1.00 0.00 O ATOM 0 H SER A 55 -16.988 -6.864 2.480 1.00 0.00 H new ATOM 0 HA SER A 55 -18.082 -5.264 4.671 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.125 -4.358 2.581 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.661 -5.976 2.176 1.00 0.00 H new ATOM 0 HG SER A 55 -20.510 -4.278 4.282 1.00 0.00 H new ATOM 778 N GLN A 56 -18.913 -7.530 5.450 1.00 0.00 N ATOM 779 CA GLN A 56 -19.278 -8.842 5.929 1.00 0.00 C ATOM 780 C GLN A 56 -20.665 -9.285 5.438 1.00 0.00 C ATOM 781 O GLN A 56 -20.933 -10.486 5.385 1.00 0.00 O ATOM 782 CB GLN A 56 -19.101 -8.857 7.453 1.00 0.00 C ATOM 783 CG GLN A 56 -19.000 -10.277 8.009 1.00 0.00 C ATOM 784 CD GLN A 56 -18.048 -10.336 9.206 1.00 0.00 C ATOM 785 OE1 GLN A 56 -18.382 -9.890 10.301 1.00 0.00 O ATOM 786 NE2 GLN A 56 -16.846 -10.859 9.044 1.00 0.00 N ATOM 0 H GLN A 56 -18.899 -6.806 6.168 1.00 0.00 H new ATOM 0 HA GLN A 56 -18.617 -9.598 5.506 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -18.202 -8.300 7.718 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -19.942 -8.345 7.920 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -19.989 -10.624 8.310 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -18.649 -10.952 7.228 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -16.569 -11.229 8.135 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -16.195 -10.893 9.828 1.00 0.00 H new ATOM 795 N SER A 57 -21.495 -8.340 4.989 1.00 0.00 N ATOM 796 CA SER A 57 -22.843 -8.578 4.476 1.00 0.00 C ATOM 797 C SER A 57 -22.925 -8.517 2.938 1.00 0.00 C ATOM 798 O SER A 57 -24.025 -8.654 2.391 1.00 0.00 O ATOM 799 CB SER A 57 -23.810 -7.584 5.137 1.00 0.00 C ATOM 800 OG SER A 57 -25.116 -8.131 5.230 1.00 0.00 O ATOM 0 H SER A 57 -21.236 -7.354 4.973 1.00 0.00 H new ATOM 0 HA SER A 57 -23.130 -9.597 4.736 1.00 0.00 H new ATOM 0 HB2 SER A 57 -23.448 -7.326 6.132 1.00 0.00 H new ATOM 0 HB3 SER A 57 -23.839 -6.660 4.559 1.00 0.00 H new ATOM 0 HG SER A 57 -25.713 -7.481 5.655 1.00 0.00 H new ATOM 806 N VAL A 58 -21.806 -8.300 2.233 1.00 0.00 N ATOM 807 CA VAL A 58 -21.722 -8.466 0.782 1.00 0.00 C ATOM 808 C VAL A 58 -21.208 -9.884 0.551 1.00 0.00 C ATOM 809 O VAL A 58 -22.017 -10.774 0.295 1.00 0.00 O ATOM 810 CB VAL A 58 -20.851 -7.363 0.149 1.00 0.00 C ATOM 811 CG1 VAL A 58 -20.595 -7.524 -1.356 1.00 0.00 C ATOM 812 CG2 VAL A 58 -21.514 -5.989 0.328 1.00 0.00 C ATOM 0 H VAL A 58 -20.929 -8.002 2.660 1.00 0.00 H new ATOM 0 HA VAL A 58 -22.688 -8.351 0.290 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.897 -7.448 0.670 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -19.974 -6.701 -1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -20.084 -8.469 -1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -21.545 -7.516 -1.890 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -20.887 -5.221 -0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.491 -5.991 -0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -21.635 -5.779 1.391 1.00 0.00 H new ATOM 822 N SER A 59 -19.902 -10.122 0.692 1.00 0.00 N ATOM 823 CA SER A 59 -19.317 -11.449 0.518 1.00 0.00 C ATOM 824 C SER A 59 -18.437 -11.871 1.683 1.00 0.00 C ATOM 825 O SER A 59 -17.990 -13.016 1.682 1.00 0.00 O ATOM 826 CB SER A 59 -18.482 -11.507 -0.756 1.00 0.00 C ATOM 827 OG SER A 59 -19.221 -11.162 -1.911 1.00 0.00 O ATOM 0 H SER A 59 -19.223 -9.399 0.930 1.00 0.00 H new ATOM 0 HA SER A 59 -20.160 -12.137 0.460 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.632 -10.832 -0.659 1.00 0.00 H new ATOM 0 HB3 SER A 59 -18.078 -12.513 -0.875 1.00 0.00 H new ATOM 0 HG SER A 59 -18.640 -11.213 -2.699 1.00 0.00 H new ATOM 833 N ASN A 60 -18.173 -10.996 2.664 1.00 0.00 N ATOM 834 CA ASN A 60 -17.158 -11.247 3.687 1.00 0.00 C ATOM 835 C ASN A 60 -15.815 -11.535 2.999 1.00 0.00 C ATOM 836 O ASN A 60 -15.145 -12.528 3.277 1.00 0.00 O ATOM 837 CB ASN A 60 -17.681 -12.348 4.628 1.00 0.00 C ATOM 838 CG ASN A 60 -16.892 -12.538 5.906 1.00 0.00 C ATOM 839 OD1 ASN A 60 -16.091 -11.707 6.316 1.00 0.00 O ATOM 840 ND2 ASN A 60 -17.159 -13.616 6.614 1.00 0.00 N ATOM 0 H ASN A 60 -18.655 -10.103 2.767 1.00 0.00 H new ATOM 0 HA ASN A 60 -16.969 -10.381 4.322 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -18.714 -12.119 4.889 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -17.692 -13.292 4.084 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -16.697 -13.764 7.511 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -17.827 -14.303 6.265 1.00 0.00 H new ATOM 847 N SER A 61 -15.470 -10.677 2.031 1.00 0.00 N ATOM 848 CA SER A 61 -14.344 -10.784 1.107 1.00 0.00 C ATOM 849 C SER A 61 -13.781 -9.384 0.889 1.00 0.00 C ATOM 850 O SER A 61 -14.562 -8.443 0.713 1.00 0.00 O ATOM 851 CB SER A 61 -14.852 -11.305 -0.248 1.00 0.00 C ATOM 852 OG SER A 61 -15.520 -12.542 -0.103 1.00 0.00 O ATOM 0 H SER A 61 -16.013 -9.830 1.865 1.00 0.00 H new ATOM 0 HA SER A 61 -13.588 -11.458 1.511 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.528 -10.574 -0.691 1.00 0.00 H new ATOM 0 HB3 SER A 61 -14.013 -11.420 -0.934 1.00 0.00 H new ATOM 0 HG SER A 61 -15.834 -12.849 -0.979 1.00 0.00 H new ATOM 858 N TRP A 62 -12.459 -9.243 0.839 1.00 0.00 N ATOM 859 CA TRP A 62 -11.831 -8.053 0.278 1.00 0.00 C ATOM 860 C TRP A 62 -11.905 -8.177 -1.238 1.00 0.00 C ATOM 861 O TRP A 62 -11.513 -9.212 -1.794 1.00 0.00 O ATOM 862 CB TRP A 62 -10.379 -7.897 0.759 1.00 0.00 C ATOM 863 CG TRP A 62 -10.277 -7.358 2.146 1.00 0.00 C ATOM 864 CD1 TRP A 62 -10.157 -8.089 3.273 1.00 0.00 C ATOM 865 CD2 TRP A 62 -10.399 -5.972 2.574 1.00 0.00 C ATOM 866 NE1 TRP A 62 -10.222 -7.256 4.370 1.00 0.00 N ATOM 867 CE2 TRP A 62 -10.402 -5.938 4.001 1.00 0.00 C ATOM 868 CE3 TRP A 62 -10.593 -4.751 1.894 1.00 0.00 C ATOM 869 CZ2 TRP A 62 -10.604 -4.750 4.720 1.00 0.00 C ATOM 870 CZ3 TRP A 62 -10.846 -3.566 2.607 1.00 0.00 C ATOM 871 CH2 TRP A 62 -10.845 -3.562 4.012 1.00 0.00 C ATOM 0 H TRP A 62 -11.800 -9.942 1.182 1.00 0.00 H new ATOM 0 HA TRP A 62 -12.354 -7.157 0.613 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.882 -8.866 0.715 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -9.846 -7.234 0.078 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -10.030 -9.161 3.311 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -10.146 -7.575 5.336 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -10.547 -4.726 0.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -10.575 -4.750 5.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.043 -2.650 2.070 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.030 -2.643 4.548 1.00 0.00 H new ATOM 882 N GLN A 63 -12.390 -7.130 -1.902 1.00 0.00 N ATOM 883 CA GLN A 63 -12.392 -7.001 -3.353 1.00 0.00 C ATOM 884 C GLN A 63 -11.734 -5.686 -3.712 1.00 0.00 C ATOM 885 O GLN A 63 -11.818 -4.724 -2.950 1.00 0.00 O ATOM 886 CB GLN A 63 -13.810 -7.006 -3.944 1.00 0.00 C ATOM 887 CG GLN A 63 -14.726 -8.072 -3.337 1.00 0.00 C ATOM 888 CD GLN A 63 -15.812 -8.495 -4.311 1.00 0.00 C ATOM 889 OE1 GLN A 63 -16.536 -7.657 -4.837 1.00 0.00 O ATOM 890 NE2 GLN A 63 -15.993 -9.780 -4.532 1.00 0.00 N ATOM 0 H GLN A 63 -12.804 -6.326 -1.430 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.856 -7.856 -3.765 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.260 -6.025 -3.794 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.745 -7.166 -5.020 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.134 -8.941 -3.051 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.183 -7.684 -2.427 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.382 -10.465 -4.087 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.744 -10.091 -5.148 1.00 0.00 H new ATOM 899 N THR A 64 -11.144 -5.627 -4.896 1.00 0.00 N ATOM 900 CA THR A 64 -10.698 -4.374 -5.491 1.00 0.00 C ATOM 901 C THR A 64 -11.955 -3.589 -5.902 1.00 0.00 C ATOM 902 O THR A 64 -12.879 -4.175 -6.467 1.00 0.00 O ATOM 903 CB THR A 64 -9.771 -4.654 -6.692 1.00 0.00 C ATOM 904 OG1 THR A 64 -9.069 -5.879 -6.537 1.00 0.00 O ATOM 905 CG2 THR A 64 -8.705 -3.566 -6.857 1.00 0.00 C ATOM 0 H THR A 64 -10.960 -6.447 -5.473 1.00 0.00 H new ATOM 0 HA THR A 64 -10.117 -3.784 -4.782 1.00 0.00 H new ATOM 0 HB THR A 64 -10.428 -4.687 -7.561 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.493 -6.026 -7.316 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.074 -3.802 -7.714 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.190 -2.603 -7.018 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.092 -3.518 -5.957 1.00 0.00 H new ATOM 913 N VAL A 65 -12.003 -2.287 -5.610 1.00 0.00 N ATOM 914 CA VAL A 65 -13.105 -1.381 -5.952 1.00 0.00 C ATOM 915 C VAL A 65 -12.607 -0.065 -6.581 1.00 0.00 C ATOM 916 O VAL A 65 -13.411 0.811 -6.912 1.00 0.00 O ATOM 917 CB VAL A 65 -14.005 -1.130 -4.723 1.00 0.00 C ATOM 918 CG1 VAL A 65 -14.626 -2.432 -4.183 1.00 0.00 C ATOM 919 CG2 VAL A 65 -13.271 -0.389 -3.597 1.00 0.00 C ATOM 0 H VAL A 65 -11.248 -1.816 -5.111 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.709 -1.871 -6.715 1.00 0.00 H new ATOM 0 HB VAL A 65 -14.811 -0.487 -5.076 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.251 -2.206 -3.319 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.235 -2.894 -4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -13.832 -3.118 -3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -13.950 -0.239 -2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.415 -0.980 -3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.926 0.578 -3.962 1.00 0.00 H new ATOM 929 N ALA A 66 -11.291 0.101 -6.741 1.00 0.00 N ATOM 930 CA ALA A 66 -10.672 1.105 -7.591 1.00 0.00 C ATOM 931 C ALA A 66 -9.333 0.538 -8.039 1.00 0.00 C ATOM 932 O ALA A 66 -8.638 -0.071 -7.223 1.00 0.00 O ATOM 933 CB ALA A 66 -10.448 2.402 -6.815 1.00 0.00 C ATOM 0 H ALA A 66 -10.608 -0.485 -6.261 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.313 1.334 -8.442 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.984 3.141 -7.468 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.405 2.783 -6.459 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -9.795 2.209 -5.964 1.00 0.00 H new ATOM 939 N ASN A 67 -8.946 0.733 -9.297 1.00 0.00 N ATOM 940 CA ASN A 67 -7.716 0.166 -9.836 1.00 0.00 C ATOM 941 C ASN A 67 -7.063 1.151 -10.799 1.00 0.00 C ATOM 942 O ASN A 67 -7.764 1.860 -11.520 1.00 0.00 O ATOM 943 CB ASN A 67 -8.036 -1.181 -10.497 1.00 0.00 C ATOM 944 CG ASN A 67 -6.890 -1.681 -11.352 1.00 0.00 C ATOM 945 OD1 ASN A 67 -6.959 -1.621 -12.581 1.00 0.00 O ATOM 946 ND2 ASN A 67 -5.831 -2.160 -10.727 1.00 0.00 N ATOM 0 H ASN A 67 -9.476 1.288 -9.969 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.997 -0.015 -9.037 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.262 -1.918 -9.726 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.930 -1.079 -11.113 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.032 -2.497 -11.263 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.812 -2.193 -9.708 1.00 0.00 H new ATOM 953 N HIS A 68 -5.729 1.195 -10.799 1.00 0.00 N ATOM 954 CA HIS A 68 -4.913 2.248 -11.406 1.00 0.00 C ATOM 955 C HIS A 68 -5.560 3.631 -11.227 1.00 0.00 C ATOM 956 O HIS A 68 -5.931 4.291 -12.197 1.00 0.00 O ATOM 957 CB HIS A 68 -4.598 1.998 -12.893 1.00 0.00 C ATOM 958 CG HIS A 68 -3.572 0.955 -13.224 1.00 0.00 C ATOM 959 ND1 HIS A 68 -2.327 1.177 -13.778 1.00 0.00 N ATOM 960 CD2 HIS A 68 -3.768 -0.392 -13.170 1.00 0.00 C ATOM 961 CE1 HIS A 68 -1.795 -0.026 -14.057 1.00 0.00 C ATOM 962 NE2 HIS A 68 -2.636 -1.011 -13.701 1.00 0.00 N ATOM 0 H HIS A 68 -5.165 0.468 -10.358 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.963 2.226 -10.873 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.528 1.723 -13.391 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.270 2.941 -13.329 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.644 -0.892 -12.785 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.825 -0.179 -14.506 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -2.478 -2.014 -13.799 1.00 0.00 H new ATOM 970 N VAL A 69 -5.712 4.089 -9.992 1.00 0.00 N ATOM 971 CA VAL A 69 -6.132 5.450 -9.689 1.00 0.00 C ATOM 972 C VAL A 69 -4.883 6.329 -9.669 1.00 0.00 C ATOM 973 O VAL A 69 -3.883 5.952 -9.066 1.00 0.00 O ATOM 974 CB VAL A 69 -6.871 5.462 -8.342 1.00 0.00 C ATOM 975 CG1 VAL A 69 -7.391 6.858 -8.007 1.00 0.00 C ATOM 976 CG2 VAL A 69 -8.084 4.529 -8.370 1.00 0.00 C ATOM 0 H VAL A 69 -5.545 3.519 -9.163 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.821 5.837 -10.440 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.149 5.133 -7.594 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.909 6.833 -7.048 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.554 7.554 -7.949 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.082 7.185 -8.784 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.588 4.558 -7.404 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.774 4.853 -9.149 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.755 3.511 -8.578 1.00 0.00 H new ATOM 986 N LYS A 70 -4.924 7.496 -10.315 1.00 0.00 N ATOM 987 CA LYS A 70 -3.794 8.426 -10.403 1.00 0.00 C ATOM 988 C LYS A 70 -4.168 9.758 -9.748 1.00 0.00 C ATOM 989 O LYS A 70 -4.020 10.828 -10.343 1.00 0.00 O ATOM 990 CB LYS A 70 -3.314 8.580 -11.859 1.00 0.00 C ATOM 991 CG LYS A 70 -3.197 7.271 -12.661 1.00 0.00 C ATOM 992 CD LYS A 70 -4.526 6.921 -13.345 1.00 0.00 C ATOM 993 CE LYS A 70 -4.367 5.769 -14.324 1.00 0.00 C ATOM 994 NZ LYS A 70 -5.677 5.309 -14.828 1.00 0.00 N ATOM 0 H LYS A 70 -5.757 7.828 -10.800 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.945 8.021 -9.852 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.002 9.245 -12.381 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.340 9.070 -11.852 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.413 7.370 -13.412 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.902 6.459 -11.997 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.266 6.657 -12.589 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.906 7.796 -13.871 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.743 6.083 -15.161 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.852 4.942 -13.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.533 4.670 -15.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.182 4.803 -14.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.240 6.129 -15.131 1.00 0.00 H new ATOM 1008 N THR A 71 -4.768 9.678 -8.565 1.00 0.00 N ATOM 1009 CA THR A 71 -5.212 10.807 -7.761 1.00 0.00 C ATOM 1010 C THR A 71 -5.319 10.326 -6.307 1.00 0.00 C ATOM 1011 O THR A 71 -4.894 9.210 -5.975 1.00 0.00 O ATOM 1012 CB THR A 71 -6.484 11.445 -8.383 1.00 0.00 C ATOM 1013 OG1 THR A 71 -7.116 12.402 -7.555 1.00 0.00 O ATOM 1014 CG2 THR A 71 -7.532 10.459 -8.903 1.00 0.00 C ATOM 0 H THR A 71 -4.966 8.781 -8.121 1.00 0.00 H new ATOM 0 HA THR A 71 -4.501 11.633 -7.754 1.00 0.00 H new ATOM 0 HB THR A 71 -6.064 11.954 -9.251 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.905 12.760 -8.012 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.377 11.010 -9.316 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.091 9.836 -9.681 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.876 9.828 -8.084 1.00 0.00 H new ATOM 1022 N THR A 72 -5.820 11.193 -5.435 1.00 0.00 N ATOM 1023 CA THR A 72 -6.013 10.989 -4.015 1.00 0.00 C ATOM 1024 C THR A 72 -7.474 11.253 -3.601 1.00 0.00 C ATOM 1025 O THR A 72 -7.790 11.117 -2.418 1.00 0.00 O ATOM 1026 CB THR A 72 -4.982 11.846 -3.261 1.00 0.00 C ATOM 1027 OG1 THR A 72 -5.001 13.183 -3.729 1.00 0.00 O ATOM 1028 CG2 THR A 72 -3.558 11.301 -3.429 1.00 0.00 C ATOM 0 H THR A 72 -6.122 12.122 -5.729 1.00 0.00 H new ATOM 0 HA THR A 72 -5.840 9.946 -3.749 1.00 0.00 H new ATOM 0 HB THR A 72 -5.259 11.811 -2.207 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.340 13.712 -3.236 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.859 11.934 -2.882 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.509 10.284 -3.039 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.292 11.297 -4.486 1.00 0.00 H new ATOM 1036 N LEU A 73 -8.379 11.558 -4.551 1.00 0.00 N ATOM 1037 CA LEU A 73 -9.834 11.527 -4.333 1.00 0.00 C ATOM 1038 C LEU A 73 -10.459 10.576 -5.351 1.00 0.00 C ATOM 1039 O LEU A 73 -10.053 10.596 -6.514 1.00 0.00 O ATOM 1040 CB LEU A 73 -10.440 12.946 -4.396 1.00 0.00 C ATOM 1041 CG LEU A 73 -10.857 13.442 -2.996 1.00 0.00 C ATOM 1042 CD1 LEU A 73 -10.642 14.942 -2.822 1.00 0.00 C ATOM 1043 CD2 LEU A 73 -12.269 13.067 -2.602 1.00 0.00 C ATOM 0 H LEU A 73 -8.117 11.834 -5.497 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.053 11.156 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.713 13.635 -4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -11.307 12.944 -5.056 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.190 12.913 -2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.951 15.240 -1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.587 15.177 -2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.234 15.483 -3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.483 13.453 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.972 13.496 -3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.370 11.982 -2.600 1.00 0.00 H new ATOM 1055 N TYR A 74 -11.324 9.657 -4.919 1.00 0.00 N ATOM 1056 CA TYR A 74 -12.027 8.705 -5.784 1.00 0.00 C ATOM 1057 C TYR A 74 -13.414 8.441 -5.217 1.00 0.00 C ATOM 1058 O TYR A 74 -13.608 8.479 -4.004 1.00 0.00 O ATOM 1059 CB TYR A 74 -11.219 7.404 -5.886 1.00 0.00 C ATOM 1060 CG TYR A 74 -11.900 6.257 -6.615 1.00 0.00 C ATOM 1061 CD1 TYR A 74 -11.750 6.102 -8.008 1.00 0.00 C ATOM 1062 CD2 TYR A 74 -12.666 5.325 -5.890 1.00 0.00 C ATOM 1063 CE1 TYR A 74 -12.347 5.013 -8.671 1.00 0.00 C ATOM 1064 CE2 TYR A 74 -13.246 4.225 -6.542 1.00 0.00 C ATOM 1065 CZ TYR A 74 -13.085 4.060 -7.934 1.00 0.00 C ATOM 1066 OH TYR A 74 -13.578 2.952 -8.551 1.00 0.00 O ATOM 0 H TYR A 74 -11.562 9.551 -3.933 1.00 0.00 H new ATOM 0 HA TYR A 74 -12.133 9.121 -6.786 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.278 7.622 -6.390 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -10.971 7.072 -4.878 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.174 6.823 -8.570 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -12.808 5.457 -4.828 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -12.241 4.906 -9.740 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -13.817 3.503 -5.977 1.00 0.00 H new ATOM 0 HH TYR A 74 -13.496 2.180 -7.952 1.00 0.00 H new ATOM 1076 N THR A 75 -14.358 8.123 -6.092 1.00 0.00 N ATOM 1077 CA THR A 75 -15.745 7.854 -5.787 1.00 0.00 C ATOM 1078 C THR A 75 -15.978 6.361 -6.005 1.00 0.00 C ATOM 1079 O THR A 75 -16.083 5.882 -7.138 1.00 0.00 O ATOM 1080 CB THR A 75 -16.616 8.771 -6.654 1.00 0.00 C ATOM 1081 OG1 THR A 75 -16.362 10.133 -6.335 1.00 0.00 O ATOM 1082 CG2 THR A 75 -18.108 8.508 -6.438 1.00 0.00 C ATOM 0 H THR A 75 -14.159 8.043 -7.089 1.00 0.00 H new ATOM 0 HA THR A 75 -16.014 8.072 -4.753 1.00 0.00 H new ATOM 0 HB THR A 75 -16.361 8.561 -7.693 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.688 10.323 -5.431 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.691 9.178 -7.070 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.336 7.474 -6.697 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.361 8.684 -5.393 1.00 0.00 H new ATOM 1090 N VAL A 76 -16.027 5.607 -4.911 1.00 0.00 N ATOM 1091 CA VAL A 76 -16.490 4.230 -4.913 1.00 0.00 C ATOM 1092 C VAL A 76 -17.952 4.252 -5.343 1.00 0.00 C ATOM 1093 O VAL A 76 -18.696 5.140 -4.932 1.00 0.00 O ATOM 1094 CB VAL A 76 -16.329 3.621 -3.504 1.00 0.00 C ATOM 1095 CG1 VAL A 76 -16.631 2.115 -3.532 1.00 0.00 C ATOM 1096 CG2 VAL A 76 -14.899 3.782 -2.971 1.00 0.00 C ATOM 0 H VAL A 76 -15.743 5.942 -3.990 1.00 0.00 H new ATOM 0 HA VAL A 76 -15.908 3.614 -5.599 1.00 0.00 H new ATOM 0 HB VAL A 76 -17.027 4.153 -2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.513 1.702 -2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.654 1.955 -3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.941 1.618 -4.214 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.829 3.340 -1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -14.202 3.279 -3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.649 4.841 -2.915 1.00 0.00 H new ATOM 1106 N ARG A 77 -18.372 3.275 -6.144 1.00 0.00 N ATOM 1107 CA ARG A 77 -19.753 3.034 -6.554 1.00 0.00 C ATOM 1108 C ARG A 77 -20.043 1.547 -6.401 1.00 0.00 C ATOM 1109 O ARG A 77 -19.172 0.772 -5.993 1.00 0.00 O ATOM 1110 CB ARG A 77 -19.956 3.478 -8.012 1.00 0.00 C ATOM 1111 CG ARG A 77 -19.792 4.987 -8.195 1.00 0.00 C ATOM 1112 CD ARG A 77 -19.797 5.378 -9.671 1.00 0.00 C ATOM 1113 NE ARG A 77 -19.821 6.840 -9.792 1.00 0.00 N ATOM 1114 CZ ARG A 77 -19.253 7.597 -10.732 1.00 0.00 C ATOM 1115 NH1 ARG A 77 -18.623 7.070 -11.776 1.00 0.00 N ATOM 1116 NH2 ARG A 77 -19.329 8.914 -10.625 1.00 0.00 N ATOM 0 H ARG A 77 -17.725 2.596 -6.545 1.00 0.00 H new ATOM 0 HA ARG A 77 -20.438 3.609 -5.931 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -19.240 2.959 -8.649 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -20.951 3.182 -8.343 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -20.599 5.507 -7.678 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.858 5.310 -7.735 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.914 4.976 -10.167 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -20.666 4.947 -10.169 1.00 0.00 H new ATOM 0 HE ARG A 77 -20.336 7.340 -9.067 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -18.563 6.057 -11.877 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -18.200 7.679 -12.477 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -19.816 9.334 -9.833 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -18.901 9.509 -11.334 1.00 0.00 H new ATOM 1130 N GLY A 78 -21.247 1.129 -6.777 1.00 0.00 N ATOM 1131 CA GLY A 78 -21.599 -0.278 -6.899 1.00 0.00 C ATOM 1132 C GLY A 78 -21.738 -0.973 -5.550 1.00 0.00 C ATOM 1133 O GLY A 78 -21.594 -2.192 -5.466 1.00 0.00 O ATOM 0 H GLY A 78 -22.011 1.764 -7.007 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -22.538 -0.367 -7.446 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -20.837 -0.788 -7.488 1.00 0.00 H new ATOM 1137 N LEU A 79 -21.980 -0.212 -4.484 1.00 0.00 N ATOM 1138 CA LEU A 79 -22.121 -0.729 -3.128 1.00 0.00 C ATOM 1139 C LEU A 79 -23.593 -1.044 -2.871 1.00 0.00 C ATOM 1140 O LEU A 79 -24.439 -0.984 -3.771 1.00 0.00 O ATOM 1141 CB LEU A 79 -21.567 0.275 -2.093 1.00 0.00 C ATOM 1142 CG LEU A 79 -20.123 0.719 -2.345 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -19.817 1.959 -1.505 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -19.103 -0.384 -2.059 1.00 0.00 C ATOM 0 H LEU A 79 -22.085 0.801 -4.542 1.00 0.00 H new ATOM 0 HA LEU A 79 -21.538 -1.644 -3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -22.208 1.157 -2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -21.627 -0.175 -1.102 1.00 0.00 H new ATOM 0 HG LEU A 79 -20.034 0.954 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -18.789 2.275 -1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -20.498 2.764 -1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -19.945 1.723 -0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.098 -0.010 -2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.179 -0.688 -1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.304 -1.241 -2.702 1.00 0.00 H new ATOM 1156 N ARG A 80 -23.898 -1.364 -1.618 1.00 0.00 N ATOM 1157 CA ARG A 80 -25.245 -1.636 -1.125 1.00 0.00 C ATOM 1158 C ARG A 80 -25.618 -0.584 -0.088 1.00 0.00 C ATOM 1159 O ARG A 80 -24.753 -0.172 0.689 1.00 0.00 O ATOM 1160 CB ARG A 80 -25.357 -3.044 -0.516 1.00 0.00 C ATOM 1161 CG ARG A 80 -25.068 -4.097 -1.582 1.00 0.00 C ATOM 1162 CD ARG A 80 -25.360 -5.528 -1.111 1.00 0.00 C ATOM 1163 NE ARG A 80 -25.243 -6.490 -2.225 1.00 0.00 N ATOM 1164 CZ ARG A 80 -26.084 -6.651 -3.257 1.00 0.00 C ATOM 1165 NH1 ARG A 80 -27.282 -6.074 -3.261 1.00 0.00 N ATOM 1166 NH2 ARG A 80 -25.696 -7.392 -4.291 1.00 0.00 N ATOM 0 H ARG A 80 -23.188 -1.444 -0.890 1.00 0.00 H new ATOM 0 HA ARG A 80 -25.935 -1.592 -1.968 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -24.654 -3.149 0.311 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -26.356 -3.194 -0.106 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -25.667 -3.883 -2.467 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -24.022 -4.026 -1.880 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -24.666 -5.801 -0.316 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -26.363 -5.577 -0.688 1.00 0.00 H new ATOM 0 HE ARG A 80 -24.428 -7.103 -2.208 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -27.574 -5.498 -2.471 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -27.909 -6.207 -4.054 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -24.773 -7.826 -4.290 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -26.321 -7.526 -5.085 1.00 0.00 H new ATOM 1180 N PRO A 81 -26.881 -0.145 -0.045 1.00 0.00 N ATOM 1181 CA PRO A 81 -27.367 0.787 0.959 1.00 0.00 C ATOM 1182 C PRO A 81 -27.551 0.114 2.320 1.00 0.00 C ATOM 1183 O PRO A 81 -27.665 -1.113 2.395 1.00 0.00 O ATOM 1184 CB PRO A 81 -28.631 1.381 0.350 1.00 0.00 C ATOM 1185 CG PRO A 81 -29.133 0.353 -0.670 1.00 0.00 C ATOM 1186 CD PRO A 81 -27.900 -0.466 -1.024 1.00 0.00 C ATOM 0 HA PRO A 81 -26.659 1.583 1.190 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -29.383 1.568 1.117 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -28.421 2.337 -0.130 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -29.918 -0.274 -0.248 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -29.552 0.840 -1.550 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -28.128 -1.532 -1.008 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -27.556 -0.229 -2.031 1.00 0.00 H new ATOM 1194 N ASN A 82 -27.542 0.916 3.395 1.00 0.00 N ATOM 1195 CA ASN A 82 -27.586 0.489 4.801 1.00 0.00 C ATOM 1196 C ASN A 82 -26.597 -0.654 5.088 1.00 0.00 C ATOM 1197 O ASN A 82 -26.878 -1.561 5.874 1.00 0.00 O ATOM 1198 CB ASN A 82 -29.034 0.145 5.193 1.00 0.00 C ATOM 1199 CG ASN A 82 -29.228 0.017 6.700 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -29.168 0.993 7.439 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -29.498 -1.158 7.236 1.00 0.00 N ATOM 0 H ASN A 82 -27.502 1.931 3.302 1.00 0.00 H new ATOM 0 HA ASN A 82 -27.258 1.316 5.431 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -29.701 0.917 4.810 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -29.322 -0.791 4.714 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -29.651 -1.237 8.241 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -29.554 -1.987 6.645 1.00 0.00 H new ATOM 1208 N THR A 83 -25.445 -0.652 4.418 1.00 0.00 N ATOM 1209 CA THR A 83 -24.425 -1.691 4.480 1.00 0.00 C ATOM 1210 C THR A 83 -23.131 -0.981 4.864 1.00 0.00 C ATOM 1211 O THR A 83 -22.826 0.098 4.350 1.00 0.00 O ATOM 1212 CB THR A 83 -24.417 -2.480 3.143 1.00 0.00 C ATOM 1213 OG1 THR A 83 -25.718 -3.003 2.916 1.00 0.00 O ATOM 1214 CG2 THR A 83 -23.447 -3.659 3.084 1.00 0.00 C ATOM 0 H THR A 83 -25.189 0.110 3.790 1.00 0.00 H new ATOM 0 HA THR A 83 -24.602 -2.462 5.230 1.00 0.00 H new ATOM 0 HB THR A 83 -24.092 -1.762 2.390 1.00 0.00 H new ATOM 0 HG1 THR A 83 -26.334 -2.269 2.711 1.00 0.00 H new ATOM 0 HG21 THR A 83 -23.520 -4.142 2.109 1.00 0.00 H new ATOM 0 HG22 THR A 83 -22.429 -3.301 3.236 1.00 0.00 H new ATOM 0 HG23 THR A 83 -23.699 -4.377 3.864 1.00 0.00 H new ATOM 1222 N ILE A 84 -22.458 -1.528 5.873 1.00 0.00 N ATOM 1223 CA ILE A 84 -21.146 -1.082 6.292 1.00 0.00 C ATOM 1224 C ILE A 84 -20.156 -1.586 5.260 1.00 0.00 C ATOM 1225 O ILE A 84 -20.344 -2.652 4.666 1.00 0.00 O ATOM 1226 CB ILE A 84 -20.833 -1.627 7.704 1.00 0.00 C ATOM 1227 CG1 ILE A 84 -21.688 -0.956 8.797 1.00 0.00 C ATOM 1228 CG2 ILE A 84 -19.346 -1.514 8.100 1.00 0.00 C ATOM 1229 CD1 ILE A 84 -21.612 0.574 8.819 1.00 0.00 C ATOM 0 H ILE A 84 -22.820 -2.305 6.426 1.00 0.00 H new ATOM 0 HA ILE A 84 -21.090 0.005 6.354 1.00 0.00 H new ATOM 0 HB ILE A 84 -21.087 -2.685 7.640 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -22.728 -1.253 8.659 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -21.374 -1.336 9.769 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -19.205 -1.917 9.103 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -18.737 -2.079 7.394 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -19.044 -0.467 8.084 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -22.245 0.958 9.619 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -20.581 0.885 8.990 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -21.956 0.969 7.863 1.00 0.00 H new ATOM 1241 N TYR A 85 -19.073 -0.841 5.114 1.00 0.00 N ATOM 1242 CA TYR A 85 -17.910 -1.252 4.362 1.00 0.00 C ATOM 1243 C TYR A 85 -16.671 -0.996 5.188 1.00 0.00 C ATOM 1244 O TYR A 85 -16.714 -0.322 6.219 1.00 0.00 O ATOM 1245 CB TYR A 85 -17.876 -0.505 3.018 1.00 0.00 C ATOM 1246 CG TYR A 85 -18.942 -1.011 2.078 1.00 0.00 C ATOM 1247 CD1 TYR A 85 -20.243 -0.473 2.116 1.00 0.00 C ATOM 1248 CD2 TYR A 85 -18.652 -2.111 1.255 1.00 0.00 C ATOM 1249 CE1 TYR A 85 -21.271 -1.077 1.377 1.00 0.00 C ATOM 1250 CE2 TYR A 85 -19.669 -2.707 0.499 1.00 0.00 C ATOM 1251 CZ TYR A 85 -20.988 -2.214 0.589 1.00 0.00 C ATOM 1252 OH TYR A 85 -21.984 -2.832 -0.094 1.00 0.00 O ATOM 0 H TYR A 85 -18.981 0.087 5.527 1.00 0.00 H new ATOM 0 HA TYR A 85 -17.952 -2.319 4.142 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -18.017 0.562 3.190 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -16.896 -0.627 2.557 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -20.449 0.403 2.713 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.645 -2.497 1.205 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -22.273 -0.675 1.411 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -19.445 -3.540 -0.150 1.00 0.00 H new ATOM 0 HH TYR A 85 -21.619 -3.241 -0.906 1.00 0.00 H new ATOM 1262 N LEU A 86 -15.562 -1.538 4.702 1.00 0.00 N ATOM 1263 CA LEU A 86 -14.227 -1.025 4.930 1.00 0.00 C ATOM 1264 C LEU A 86 -13.646 -0.684 3.581 1.00 0.00 C ATOM 1265 O LEU A 86 -14.105 -1.229 2.586 1.00 0.00 O ATOM 1266 CB LEU A 86 -13.398 -1.994 5.771 1.00 0.00 C ATOM 1267 CG LEU A 86 -14.000 -2.201 7.171 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -13.556 -3.557 7.709 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -13.625 -1.076 8.141 1.00 0.00 C ATOM 0 H LEU A 86 -15.573 -2.375 4.119 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.234 -0.114 5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.332 -2.954 5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.381 -1.613 5.866 1.00 0.00 H new ATOM 0 HG LEU A 86 -15.086 -2.177 7.082 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -13.979 -3.711 8.702 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.903 -4.345 7.041 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.468 -3.586 7.770 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -14.075 -1.270 9.115 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.541 -1.031 8.245 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -13.992 -0.125 7.755 1.00 0.00 H new ATOM 1281 N PHE A 87 -12.671 0.223 3.561 1.00 0.00 N ATOM 1282 CA PHE A 87 -11.884 0.611 2.400 1.00 0.00 C ATOM 1283 C PHE A 87 -10.423 0.564 2.825 1.00 0.00 C ATOM 1284 O PHE A 87 -10.132 0.858 3.989 1.00 0.00 O ATOM 1285 CB PHE A 87 -12.259 2.019 1.896 1.00 0.00 C ATOM 1286 CG PHE A 87 -13.710 2.194 1.494 1.00 0.00 C ATOM 1287 CD1 PHE A 87 -14.247 1.345 0.518 1.00 0.00 C ATOM 1288 CD2 PHE A 87 -14.542 3.142 2.122 1.00 0.00 C ATOM 1289 CE1 PHE A 87 -15.621 1.370 0.232 1.00 0.00 C ATOM 1290 CE2 PHE A 87 -15.923 3.177 1.840 1.00 0.00 C ATOM 1291 CZ PHE A 87 -16.461 2.271 0.906 1.00 0.00 C ATOM 0 H PHE A 87 -12.397 0.732 4.401 1.00 0.00 H new ATOM 0 HA PHE A 87 -12.078 -0.070 1.571 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -12.025 2.742 2.678 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -11.629 2.261 1.040 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -13.600 0.667 -0.018 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.119 3.846 2.824 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -16.032 0.697 -0.506 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.562 3.892 2.336 1.00 0.00 H new ATOM 0 HZ PHE A 87 -17.523 2.269 0.707 1.00 0.00 H new ATOM 1301 N MET A 88 -9.534 0.202 1.901 1.00 0.00 N ATOM 1302 CA MET A 88 -8.112 0.035 2.112 1.00 0.00 C ATOM 1303 C MET A 88 -7.414 0.516 0.846 1.00 0.00 C ATOM 1304 O MET A 88 -7.617 -0.055 -0.222 1.00 0.00 O ATOM 1305 CB MET A 88 -7.822 -1.447 2.384 1.00 0.00 C ATOM 1306 CG MET A 88 -7.780 -1.768 3.885 1.00 0.00 C ATOM 1307 SD MET A 88 -6.181 -2.384 4.472 1.00 0.00 S ATOM 1308 CE MET A 88 -6.176 -3.981 3.619 1.00 0.00 C ATOM 0 H MET A 88 -9.809 0.009 0.938 1.00 0.00 H new ATOM 0 HA MET A 88 -7.753 0.607 2.967 1.00 0.00 H new ATOM 0 HB2 MET A 88 -8.587 -2.058 1.906 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.868 -1.717 1.930 1.00 0.00 H new ATOM 0 HG2 MET A 88 -8.037 -0.868 4.444 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.546 -2.511 4.107 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.332 -4.576 3.966 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.105 -4.510 3.832 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.089 -3.819 2.545 1.00 0.00 H new ATOM 1318 N VAL A 89 -6.590 1.549 0.951 1.00 0.00 N ATOM 1319 CA VAL A 89 -5.848 2.134 -0.147 1.00 0.00 C ATOM 1320 C VAL A 89 -4.473 1.485 -0.162 1.00 0.00 C ATOM 1321 O VAL A 89 -3.659 1.697 0.735 1.00 0.00 O ATOM 1322 CB VAL A 89 -5.697 3.650 0.051 1.00 0.00 C ATOM 1323 CG1 VAL A 89 -5.027 4.283 -1.165 1.00 0.00 C ATOM 1324 CG2 VAL A 89 -7.035 4.360 0.166 1.00 0.00 C ATOM 0 H VAL A 89 -6.416 2.018 1.840 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.374 1.967 -1.087 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.116 3.763 0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.928 5.357 -1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.039 3.844 -1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.635 4.101 -2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.869 5.428 0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.613 4.197 -0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.585 3.964 1.020 1.00 0.00 H new ATOM 1334 N ARG A 90 -4.192 0.706 -1.200 1.00 0.00 N ATOM 1335 CA ARG A 90 -2.822 0.326 -1.505 1.00 0.00 C ATOM 1336 C ARG A 90 -2.353 1.280 -2.590 1.00 0.00 C ATOM 1337 O ARG A 90 -3.078 1.508 -3.555 1.00 0.00 O ATOM 1338 CB ARG A 90 -2.778 -1.144 -1.940 1.00 0.00 C ATOM 1339 CG ARG A 90 -2.874 -2.087 -0.726 1.00 0.00 C ATOM 1340 CD ARG A 90 -2.713 -3.548 -1.159 1.00 0.00 C ATOM 1341 NE ARG A 90 -2.572 -4.493 -0.030 1.00 0.00 N ATOM 1342 CZ ARG A 90 -1.436 -4.765 0.631 1.00 0.00 C ATOM 1343 NH1 ARG A 90 -0.357 -4.009 0.488 1.00 0.00 N ATOM 1344 NH2 ARG A 90 -1.363 -5.812 1.437 1.00 0.00 N ATOM 0 H ARG A 90 -4.891 0.328 -1.840 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.160 0.402 -0.642 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.599 -1.347 -2.628 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.853 -1.338 -2.482 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.103 -1.831 0.001 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.836 -1.953 -0.231 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.577 -3.837 -1.757 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.837 -3.632 -1.803 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.414 -4.982 0.274 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.379 -3.201 -0.135 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.495 -4.235 1.001 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.174 -6.419 1.559 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -0.496 -6.012 1.936 1.00 0.00 H new ATOM 1358 N ALA A 91 -1.143 1.816 -2.478 1.00 0.00 N ATOM 1359 CA ALA A 91 -0.512 2.469 -3.611 1.00 0.00 C ATOM 1360 C ALA A 91 0.188 1.365 -4.407 1.00 0.00 C ATOM 1361 O ALA A 91 0.345 0.245 -3.925 1.00 0.00 O ATOM 1362 CB ALA A 91 0.478 3.533 -3.127 1.00 0.00 C ATOM 0 H ALA A 91 -0.587 1.810 -1.623 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.239 2.987 -4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.944 4.015 -3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.051 4.280 -2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.247 3.063 -2.514 1.00 0.00 H new ATOM 1368 N ILE A 92 0.609 1.663 -5.626 1.00 0.00 N ATOM 1369 CA ILE A 92 1.315 0.761 -6.527 1.00 0.00 C ATOM 1370 C ILE A 92 2.578 1.456 -6.998 1.00 0.00 C ATOM 1371 O ILE A 92 2.612 2.682 -7.111 1.00 0.00 O ATOM 1372 CB ILE A 92 0.356 0.301 -7.663 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.098 -1.109 -7.272 1.00 0.00 C ATOM 1374 CG2 ILE A 92 0.910 0.309 -9.095 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -1.171 -1.688 -8.181 1.00 0.00 C ATOM 0 H ILE A 92 0.461 2.585 -6.035 1.00 0.00 H new ATOM 0 HA ILE A 92 1.630 -0.157 -6.031 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.449 1.033 -7.725 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.766 -1.773 -7.279 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.475 -1.088 -6.250 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.139 -0.033 -9.785 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.213 1.321 -9.362 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.772 -0.355 -9.155 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.438 -2.688 -7.838 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.053 -1.048 -8.156 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.792 -1.744 -9.201 1.00 0.00 H new ATOM 1387 N ASN A 93 3.594 0.662 -7.313 1.00 0.00 N ATOM 1388 CA ASN A 93 4.887 1.089 -7.852 1.00 0.00 C ATOM 1389 C ASN A 93 5.381 0.017 -8.839 1.00 0.00 C ATOM 1390 O ASN A 93 4.688 -0.992 -9.007 1.00 0.00 O ATOM 1391 CB ASN A 93 5.865 1.383 -6.694 1.00 0.00 C ATOM 1392 CG ASN A 93 6.701 0.202 -6.215 1.00 0.00 C ATOM 1393 OD1 ASN A 93 6.295 -0.946 -6.334 1.00 0.00 O ATOM 1394 ND2 ASN A 93 7.872 0.461 -5.661 1.00 0.00 N ATOM 0 H ASN A 93 3.539 -0.350 -7.195 1.00 0.00 H new ATOM 0 HA ASN A 93 4.803 2.022 -8.409 1.00 0.00 H new ATOM 0 HB2 ASN A 93 6.541 2.179 -7.008 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.293 1.765 -5.849 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.456 -0.303 -5.323 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.192 1.425 -5.572 1.00 0.00 H new ATOM 1401 N PRO A 94 6.538 0.187 -9.498 1.00 0.00 N ATOM 1402 CA PRO A 94 7.064 -0.794 -10.438 1.00 0.00 C ATOM 1403 C PRO A 94 7.337 -2.192 -9.864 1.00 0.00 C ATOM 1404 O PRO A 94 7.606 -3.092 -10.651 1.00 0.00 O ATOM 1405 CB PRO A 94 8.346 -0.184 -11.006 1.00 0.00 C ATOM 1406 CG PRO A 94 8.156 1.317 -10.821 1.00 0.00 C ATOM 1407 CD PRO A 94 7.314 1.413 -9.559 1.00 0.00 C ATOM 0 HA PRO A 94 6.300 -0.983 -11.193 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.228 -0.543 -10.475 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.479 -0.443 -12.056 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.110 1.832 -10.708 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.651 1.766 -11.676 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.945 1.519 -8.677 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.662 2.286 -9.591 1.00 0.00 H new ATOM 1415 N GLN A 95 7.287 -2.404 -8.542 1.00 0.00 N ATOM 1416 CA GLN A 95 7.686 -3.654 -7.902 1.00 0.00 C ATOM 1417 C GLN A 95 6.515 -4.396 -7.265 1.00 0.00 C ATOM 1418 O GLN A 95 6.543 -5.627 -7.251 1.00 0.00 O ATOM 1419 CB GLN A 95 8.793 -3.384 -6.866 1.00 0.00 C ATOM 1420 CG GLN A 95 10.134 -3.038 -7.530 1.00 0.00 C ATOM 1421 CD GLN A 95 10.870 -4.276 -8.046 1.00 0.00 C ATOM 1422 OE1 GLN A 95 10.307 -5.127 -8.734 1.00 0.00 O ATOM 1423 NE2 GLN A 95 12.136 -4.431 -7.710 1.00 0.00 N ATOM 0 H GLN A 95 6.962 -1.698 -7.881 1.00 0.00 H new ATOM 0 HA GLN A 95 8.072 -4.308 -8.684 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.488 -2.564 -6.216 1.00 0.00 H new ATOM 0 HB3 GLN A 95 8.918 -4.262 -6.233 1.00 0.00 H new ATOM 0 HG2 GLN A 95 9.959 -2.352 -8.359 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.767 -2.516 -6.812 1.00 0.00 H new ATOM 0 HE21 GLN A 95 12.602 -3.725 -7.140 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.649 -5.256 -8.020 1.00 0.00 H new ATOM 1432 N GLY A 96 5.511 -3.693 -6.748 1.00 0.00 N ATOM 1433 CA GLY A 96 4.432 -4.300 -5.983 1.00 0.00 C ATOM 1434 C GLY A 96 3.434 -3.242 -5.542 1.00 0.00 C ATOM 1435 O GLY A 96 3.303 -2.198 -6.195 1.00 0.00 O ATOM 0 H GLY A 96 5.425 -2.682 -6.850 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.929 -5.054 -6.588 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.839 -4.811 -5.111 1.00 0.00 H new ATOM 1439 N LEU A 97 2.690 -3.529 -4.475 1.00 0.00 N ATOM 1440 CA LEU A 97 1.800 -2.592 -3.808 1.00 0.00 C ATOM 1441 C LEU A 97 2.435 -2.102 -2.505 1.00 0.00 C ATOM 1442 O LEU A 97 3.127 -2.871 -1.840 1.00 0.00 O ATOM 1443 CB LEU A 97 0.470 -3.282 -3.484 1.00 0.00 C ATOM 1444 CG LEU A 97 -0.228 -3.875 -4.724 1.00 0.00 C ATOM 1445 CD1 LEU A 97 -0.093 -5.395 -4.776 1.00 0.00 C ATOM 1446 CD2 LEU A 97 -1.714 -3.557 -4.731 1.00 0.00 C ATOM 0 H LEU A 97 2.693 -4.452 -4.040 1.00 0.00 H new ATOM 0 HA LEU A 97 1.625 -1.744 -4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.648 -4.078 -2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.198 -2.563 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 97 0.263 -3.423 -5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.598 -5.775 -5.664 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.962 -5.665 -4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.547 -5.831 -3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.175 -3.990 -5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.180 -3.976 -3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.855 -2.476 -4.740 1.00 0.00 H new ATOM 1458 N SER A 98 2.137 -0.871 -2.084 1.00 0.00 N ATOM 1459 CA SER A 98 2.571 -0.346 -0.795 1.00 0.00 C ATOM 1460 C SER A 98 1.785 -1.014 0.324 1.00 0.00 C ATOM 1461 O SER A 98 0.713 -1.565 0.055 1.00 0.00 O ATOM 1462 CB SER A 98 2.352 1.168 -0.712 1.00 0.00 C ATOM 1463 OG SER A 98 0.979 1.506 -0.562 1.00 0.00 O ATOM 0 H SER A 98 1.586 -0.211 -2.632 1.00 0.00 H new ATOM 0 HA SER A 98 3.635 -0.556 -0.690 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.917 1.569 0.129 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.744 1.640 -1.613 1.00 0.00 H new ATOM 0 HG SER A 98 0.754 1.545 0.391 1.00 0.00 H new ATOM 1469 N ASP A 99 2.265 -0.846 1.560 1.00 0.00 N ATOM 1470 CA ASP A 99 1.685 -1.369 2.795 1.00 0.00 C ATOM 1471 C ASP A 99 0.159 -1.287 2.795 1.00 0.00 C ATOM 1472 O ASP A 99 -0.400 -0.285 2.328 1.00 0.00 O ATOM 1473 CB ASP A 99 2.079 -0.562 4.044 1.00 0.00 C ATOM 1474 CG ASP A 99 3.532 -0.624 4.485 1.00 0.00 C ATOM 1475 OD1 ASP A 99 4.419 -0.251 3.682 1.00 0.00 O ATOM 1476 OD2 ASP A 99 3.757 -0.943 5.676 1.00 0.00 O ATOM 0 H ASP A 99 3.116 -0.311 1.732 1.00 0.00 H new ATOM 0 HA ASP A 99 2.062 -2.391 2.831 1.00 0.00 H new ATOM 0 HB2 ASP A 99 1.826 0.483 3.864 1.00 0.00 H new ATOM 0 HB3 ASP A 99 1.460 -0.902 4.874 1.00 0.00 H new ATOM 1481 N PRO A 100 -0.517 -2.254 3.433 1.00 0.00 N ATOM 1482 CA PRO A 100 -1.923 -2.145 3.746 1.00 0.00 C ATOM 1483 C PRO A 100 -2.128 -0.989 4.739 1.00 0.00 C ATOM 1484 O PRO A 100 -1.789 -1.086 5.927 1.00 0.00 O ATOM 1485 CB PRO A 100 -2.347 -3.520 4.262 1.00 0.00 C ATOM 1486 CG PRO A 100 -1.052 -4.118 4.810 1.00 0.00 C ATOM 1487 CD PRO A 100 0.052 -3.468 3.994 1.00 0.00 C ATOM 0 HA PRO A 100 -2.551 -1.896 2.890 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.110 -3.439 5.037 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.766 -4.135 3.465 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -0.936 -3.904 5.873 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.039 -5.202 4.700 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.915 -3.240 4.619 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.398 -4.136 3.205 1.00 0.00 H new ATOM 1495 N SER A 101 -2.651 0.117 4.210 1.00 0.00 N ATOM 1496 CA SER A 101 -3.036 1.341 4.894 1.00 0.00 C ATOM 1497 C SER A 101 -3.907 1.110 6.146 1.00 0.00 C ATOM 1498 O SER A 101 -4.473 0.026 6.340 1.00 0.00 O ATOM 1499 CB SER A 101 -3.797 2.205 3.873 1.00 0.00 C ATOM 1500 OG SER A 101 -4.935 1.521 3.384 1.00 0.00 O ATOM 0 H SER A 101 -2.829 0.180 3.208 1.00 0.00 H new ATOM 0 HA SER A 101 -2.133 1.830 5.260 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.103 3.142 4.339 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.137 2.462 3.044 1.00 0.00 H new ATOM 0 HG SER A 101 -5.747 1.947 3.731 1.00 0.00 H new ATOM 1506 N PRO A 102 -4.084 2.147 6.987 1.00 0.00 N ATOM 1507 CA PRO A 102 -5.236 2.240 7.876 1.00 0.00 C ATOM 1508 C PRO A 102 -6.533 2.096 7.072 1.00 0.00 C ATOM 1509 O PRO A 102 -6.671 2.745 6.033 1.00 0.00 O ATOM 1510 CB PRO A 102 -5.161 3.639 8.491 1.00 0.00 C ATOM 1511 CG PRO A 102 -3.709 4.072 8.322 1.00 0.00 C ATOM 1512 CD PRO A 102 -3.295 3.371 7.035 1.00 0.00 C ATOM 0 HA PRO A 102 -5.229 1.457 8.634 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.839 4.328 7.987 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.447 3.623 9.543 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.617 5.155 8.240 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.094 3.763 9.167 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.491 3.999 6.166 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.228 3.150 7.034 1.00 0.00 H new ATOM 1520 N MET A 103 -7.502 1.313 7.547 1.00 0.00 N ATOM 1521 CA MET A 103 -8.829 1.278 6.941 1.00 0.00 C ATOM 1522 C MET A 103 -9.508 2.645 7.073 1.00 0.00 C ATOM 1523 O MET A 103 -9.171 3.444 7.944 1.00 0.00 O ATOM 1524 CB MET A 103 -9.706 0.214 7.619 1.00 0.00 C ATOM 1525 CG MET A 103 -9.310 -1.218 7.262 1.00 0.00 C ATOM 1526 SD MET A 103 -10.242 -2.441 8.187 1.00 0.00 S ATOM 1527 CE MET A 103 -9.132 -3.854 8.062 1.00 0.00 C ATOM 0 H MET A 103 -7.390 0.695 8.351 1.00 0.00 H new ATOM 0 HA MET A 103 -8.712 1.028 5.887 1.00 0.00 H new ATOM 0 HB2 MET A 103 -9.647 0.340 8.700 1.00 0.00 H new ATOM 0 HB3 MET A 103 -10.746 0.377 7.335 1.00 0.00 H new ATOM 0 HG2 MET A 103 -9.465 -1.379 6.195 1.00 0.00 H new ATOM 0 HG3 MET A 103 -8.246 -1.356 7.454 1.00 0.00 H new ATOM 0 HE1 MET A 103 -9.597 -4.724 8.526 1.00 0.00 H new ATOM 0 HE2 MET A 103 -8.931 -4.067 7.012 1.00 0.00 H new ATOM 0 HE3 MET A 103 -8.196 -3.627 8.572 1.00 0.00 H new ATOM 1537 N SER A 104 -10.560 2.882 6.291 1.00 0.00 N ATOM 1538 CA SER A 104 -11.419 4.060 6.422 1.00 0.00 C ATOM 1539 C SER A 104 -12.214 4.126 7.719 1.00 0.00 C ATOM 1540 O SER A 104 -12.953 5.097 7.903 1.00 0.00 O ATOM 1541 CB SER A 104 -12.415 4.054 5.254 1.00 0.00 C ATOM 1542 OG SER A 104 -13.233 2.884 5.298 1.00 0.00 O ATOM 0 H SER A 104 -10.844 2.254 5.539 1.00 0.00 H new ATOM 0 HA SER A 104 -10.758 4.926 6.420 1.00 0.00 H new ATOM 0 HB2 SER A 104 -13.042 4.945 5.299 1.00 0.00 H new ATOM 0 HB3 SER A 104 -11.875 4.092 4.308 1.00 0.00 H new ATOM 0 HG SER A 104 -13.798 2.909 6.099 1.00 0.00 H new ATOM 1548 N ASP A 105 -12.089 3.114 8.582 1.00 0.00 N ATOM 1549 CA ASP A 105 -13.037 2.772 9.637 1.00 0.00 C ATOM 1550 C ASP A 105 -14.415 2.406 9.043 1.00 0.00 C ATOM 1551 O ASP A 105 -14.681 2.717 7.874 1.00 0.00 O ATOM 1552 CB ASP A 105 -12.988 3.866 10.715 1.00 0.00 C ATOM 1553 CG ASP A 105 -14.246 4.087 11.543 1.00 0.00 C ATOM 1554 OD1 ASP A 105 -15.155 4.799 11.061 1.00 0.00 O ATOM 1555 OD2 ASP A 105 -14.242 3.758 12.748 1.00 0.00 O ATOM 0 H ASP A 105 -11.287 2.485 8.560 1.00 0.00 H new ATOM 0 HA ASP A 105 -12.765 1.856 10.161 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.172 3.630 11.398 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.735 4.808 10.228 1.00 0.00 H new ATOM 1560 N PRO A 106 -15.232 1.603 9.754 1.00 0.00 N ATOM 1561 CA PRO A 106 -16.437 1.014 9.187 1.00 0.00 C ATOM 1562 C PRO A 106 -17.514 2.067 8.935 1.00 0.00 C ATOM 1563 O PRO A 106 -18.230 2.461 9.861 1.00 0.00 O ATOM 1564 CB PRO A 106 -16.880 -0.113 10.125 1.00 0.00 C ATOM 1565 CG PRO A 106 -16.131 0.148 11.426 1.00 0.00 C ATOM 1566 CD PRO A 106 -14.898 0.937 11.002 1.00 0.00 C ATOM 0 HA PRO A 106 -16.240 0.592 8.201 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -17.959 -0.098 10.280 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -16.630 -1.091 9.714 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -16.742 0.713 12.130 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -15.856 -0.784 11.920 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -14.623 1.664 11.766 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -14.042 0.275 10.869 1.00 0.00 H new ATOM 1574 N VAL A 107 -17.622 2.526 7.689 1.00 0.00 N ATOM 1575 CA VAL A 107 -18.539 3.588 7.290 1.00 0.00 C ATOM 1576 C VAL A 107 -19.796 3.002 6.660 1.00 0.00 C ATOM 1577 O VAL A 107 -19.742 2.020 5.916 1.00 0.00 O ATOM 1578 CB VAL A 107 -17.840 4.580 6.340 1.00 0.00 C ATOM 1579 CG1 VAL A 107 -16.945 5.519 7.162 1.00 0.00 C ATOM 1580 CG2 VAL A 107 -17.078 3.923 5.195 1.00 0.00 C ATOM 0 H VAL A 107 -17.064 2.163 6.916 1.00 0.00 H new ATOM 0 HA VAL A 107 -18.841 4.140 8.180 1.00 0.00 H new ATOM 0 HB VAL A 107 -18.621 5.155 5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -16.448 6.223 6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -17.555 6.067 7.880 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -16.196 4.933 7.695 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -16.617 4.693 4.576 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -16.304 3.271 5.600 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -17.767 3.335 4.589 1.00 0.00 H new ATOM 1590 N ARG A 108 -20.943 3.622 6.939 1.00 0.00 N ATOM 1591 CA ARG A 108 -22.230 3.179 6.420 1.00 0.00 C ATOM 1592 C ARG A 108 -22.562 3.905 5.132 1.00 0.00 C ATOM 1593 O ARG A 108 -22.240 5.085 4.982 1.00 0.00 O ATOM 1594 CB ARG A 108 -23.311 3.479 7.467 1.00 0.00 C ATOM 1595 CG ARG A 108 -24.501 2.519 7.386 1.00 0.00 C ATOM 1596 CD ARG A 108 -25.656 3.121 8.189 1.00 0.00 C ATOM 1597 NE ARG A 108 -26.681 2.123 8.527 1.00 0.00 N ATOM 1598 CZ ARG A 108 -26.517 1.115 9.390 1.00 0.00 C ATOM 1599 NH1 ARG A 108 -25.423 0.991 10.128 1.00 0.00 N ATOM 1600 NH2 ARG A 108 -27.458 0.193 9.502 1.00 0.00 N ATOM 0 H ARG A 108 -21.002 4.448 7.534 1.00 0.00 H new ATOM 0 HA ARG A 108 -22.186 2.110 6.214 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -22.871 3.422 8.463 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -23.665 4.501 7.334 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -24.798 2.368 6.348 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -24.229 1.542 7.785 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -25.266 3.563 9.106 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -26.113 3.928 7.615 1.00 0.00 H new ATOM 0 HE ARG A 108 -27.588 2.206 8.067 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -24.673 1.677 10.047 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -25.331 0.209 10.777 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -28.302 0.254 8.932 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -27.340 -0.579 10.158 1.00 0.00 H new ATOM 1614 N THR A 109 -23.268 3.235 4.237 1.00 0.00 N ATOM 1615 CA THR A 109 -24.028 3.898 3.199 1.00 0.00 C ATOM 1616 C THR A 109 -25.346 4.413 3.793 1.00 0.00 C ATOM 1617 O THR A 109 -25.875 3.822 4.732 1.00 0.00 O ATOM 1618 CB THR A 109 -24.254 2.889 2.069 1.00 0.00 C ATOM 1619 OG1 THR A 109 -24.722 1.655 2.582 1.00 0.00 O ATOM 1620 CG2 THR A 109 -22.970 2.623 1.279 1.00 0.00 C ATOM 0 H THR A 109 -23.328 2.217 4.212 1.00 0.00 H new ATOM 0 HA THR A 109 -23.497 4.760 2.795 1.00 0.00 H new ATOM 0 HB THR A 109 -24.999 3.328 1.406 1.00 0.00 H new ATOM 0 HG1 THR A 109 -24.439 0.927 1.991 1.00 0.00 H new ATOM 0 HG21 THR A 109 -23.173 1.902 0.487 1.00 0.00 H new ATOM 0 HG22 THR A 109 -22.614 3.555 0.839 1.00 0.00 H new ATOM 0 HG23 THR A 109 -22.208 2.223 1.947 1.00 0.00 H new ATOM 1628 N GLN A 110 -25.890 5.489 3.215 1.00 0.00 N ATOM 1629 CA GLN A 110 -27.098 6.197 3.648 1.00 0.00 C ATOM 1630 C GLN A 110 -28.338 5.279 3.617 1.00 0.00 C ATOM 1631 O GLN A 110 -28.593 4.515 4.546 1.00 0.00 O ATOM 1632 CB GLN A 110 -27.236 7.444 2.741 1.00 0.00 C ATOM 1633 CG GLN A 110 -26.232 8.551 3.064 1.00 0.00 C ATOM 1634 CD GLN A 110 -26.787 9.959 2.818 1.00 0.00 C ATOM 1635 OE1 GLN A 110 -27.753 10.371 3.457 1.00 0.00 O ATOM 1636 NE2 GLN A 110 -26.206 10.747 1.936 1.00 0.00 N ATOM 0 H GLN A 110 -25.475 5.913 2.385 1.00 0.00 H new ATOM 0 HA GLN A 110 -27.019 6.512 4.689 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -27.109 7.142 1.701 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -28.246 7.842 2.836 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -25.928 8.464 4.107 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -25.337 8.409 2.458 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -25.404 10.411 1.402 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -26.558 11.693 1.787 1.00 0.00 H new ATOM 1645 N ASP A 111 -29.129 5.360 2.550 1.00 0.00 N ATOM 1646 CA ASP A 111 -30.381 4.640 2.317 1.00 0.00 C ATOM 1647 C ASP A 111 -30.830 5.003 0.906 1.00 0.00 C ATOM 1648 O ASP A 111 -30.466 6.070 0.406 1.00 0.00 O ATOM 1649 CB ASP A 111 -31.450 5.083 3.326 1.00 0.00 C ATOM 1650 CG ASP A 111 -32.844 4.513 3.041 1.00 0.00 C ATOM 1651 OD1 ASP A 111 -32.997 3.324 2.672 1.00 0.00 O ATOM 1652 OD2 ASP A 111 -33.840 5.231 3.256 1.00 0.00 O ATOM 0 H ASP A 111 -28.896 5.974 1.769 1.00 0.00 H new ATOM 0 HA ASP A 111 -30.239 3.565 2.432 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -31.141 4.779 4.326 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -31.506 6.172 3.327 1.00 0.00 H new