USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 716 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 96 ASN : amide:sc= -7.76! C(o=-11!,f=-9.6!) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -3.32! K(o=-11!,f=-8.4) USER MOD Set 2.1: A 35 LYS NZ :NH3+ -178:sc= 0.742 (180deg=0) USER MOD Set 2.2: A 78 THR OG1 : rot 64:sc= -0.671 USER MOD Set 3.1: A 52 TYR OH : rot -130:sc= -2.09 USER MOD Set 3.2: A 75 MET CE :methyl 178:sc= -3.66! (180deg=-3.66!) USER MOD Set 4.1: A 70 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 71 HIS : no HD1:sc= -0.0135 X(o=-0.014,f=-0.014) USER MOD Set 5.1: A 53 SER OG : rot -160:sc= 0 USER MOD Set 5.2: A 68 ASN : amide:sc= -0.205 X(o=-0.21,f=-0.21) USER MOD Set 5.3: A 95 GLN : amide:sc= 0 X(o=-0.21,f=-0.23) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -162:sc= 0.82 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 170:sc= 0 USER MOD Single : A 40 THR OG1 : rot 175:sc= 0.279 USER MOD Single : A 43 SER OG : rot -56:sc= 0.505 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.774 K(o=-0.77,f=0.063) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00919 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 71:sc= 1.07 USER MOD Single : A 76 GLN : amide:sc= -0.226 K(o=-0.23,f=-1.9!) USER MOD Single : A 80 GLN : amide:sc=-0.00193 K(o=-0.0019,f=-1.2) USER MOD Single : A 81 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.28) USER MOD Single : A 83 MET CE :methyl 160:sc= -0.0374 (180deg=-0.302) USER MOD Single : A 86 THR OG1 : rot 65:sc= 0.0211 USER MOD Single : A 88 TYR OH : rot 130:sc= 0 USER MOD Single : A 93 MET CE :methyl 145:sc= -0.177 (180deg=-1.38) USER MOD Single : A 97 LYS NZ :NH3+ 151:sc= -0.0944 (180deg=-1.23) USER MOD Single : A 100 SER OG : rot 26:sc= 0.639 USER MOD Single : A 103 SER OG : rot 180:sc= 0.0626 USER MOD Single : A 104 SER OG : rot 133:sc= -0.184 USER MOD Single : A 111 THR OG1 : rot -160:sc= 1.37 USER MOD Single : A 112 GLN : amide:sc= -0.0195 K(o=-0.02,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 182 N LEU A 17 15.779 11.413 -5.695 1.00 0.00 N ATOM 183 CA LEU A 17 14.407 10.929 -5.588 1.00 0.00 C ATOM 184 C LEU A 17 14.010 10.733 -4.129 1.00 0.00 C ATOM 185 O LEU A 17 14.838 10.426 -3.271 1.00 0.00 O ATOM 186 CB LEU A 17 14.249 9.612 -6.352 1.00 0.00 C ATOM 187 CG LEU A 17 14.245 9.718 -7.877 1.00 0.00 C ATOM 188 CD1 LEU A 17 14.190 8.335 -8.508 1.00 0.00 C ATOM 189 CD2 LEU A 17 13.075 10.568 -8.350 1.00 0.00 C ATOM 0 HA LEU A 17 13.749 11.679 -6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 17 15.058 8.944 -6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.317 9.142 -6.038 1.00 0.00 H new ATOM 0 HG LEU A 17 15.170 10.202 -8.190 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.188 8.430 -9.594 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.060 7.758 -8.196 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.282 7.824 -8.187 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.088 10.632 -9.438 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.140 10.113 -8.025 1.00 0.00 H new ATOM 0 HD23 LEU A 17 13.158 11.569 -7.926 1.00 0.00 H new ATOM 201 N PRO A 18 12.713 10.913 -3.839 1.00 0.00 N ATOM 202 CA PRO A 18 12.176 10.759 -2.483 1.00 0.00 C ATOM 203 C PRO A 18 12.179 9.306 -2.020 1.00 0.00 C ATOM 204 O PRO A 18 12.847 8.458 -2.611 1.00 0.00 O ATOM 205 CB PRO A 18 10.741 11.277 -2.609 1.00 0.00 C ATOM 206 CG PRO A 18 10.393 11.082 -4.044 1.00 0.00 C ATOM 207 CD PRO A 18 11.670 11.280 -4.812 1.00 0.00 C ATOM 0 HA PRO A 18 12.774 11.294 -1.745 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.062 10.725 -1.959 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.673 12.327 -2.324 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.986 10.085 -4.215 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.633 11.796 -4.361 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.708 10.648 -5.699 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.780 12.310 -5.150 1.00 0.00 H new ATOM 215 N SER A 19 11.429 9.027 -0.959 1.00 0.00 N ATOM 216 CA SER A 19 11.349 7.676 -0.414 1.00 0.00 C ATOM 217 C SER A 19 9.898 7.282 -0.152 1.00 0.00 C ATOM 218 O SER A 19 9.063 8.125 0.174 1.00 0.00 O ATOM 219 CB SER A 19 12.158 7.576 0.880 1.00 0.00 C ATOM 220 OG SER A 19 11.968 6.319 1.504 1.00 0.00 O ATOM 0 H SER A 19 10.868 9.717 -0.460 1.00 0.00 H new ATOM 0 HA SER A 19 11.768 6.989 -1.149 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.216 7.722 0.663 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.860 8.373 1.562 1.00 0.00 H new ATOM 0 HG SER A 19 12.497 6.280 2.328 1.00 0.00 H new ATOM 226 N ALA A 20 9.606 5.994 -0.298 1.00 0.00 N ATOM 227 CA ALA A 20 8.258 5.486 -0.076 1.00 0.00 C ATOM 228 C ALA A 20 7.751 5.865 1.311 1.00 0.00 C ATOM 229 O ALA A 20 8.525 6.100 2.239 1.00 0.00 O ATOM 230 CB ALA A 20 8.226 3.976 -0.257 1.00 0.00 C ATOM 0 H ALA A 20 10.285 5.283 -0.569 1.00 0.00 H new ATOM 0 HA ALA A 20 7.598 5.943 -0.813 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.213 3.611 -0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.538 3.724 -1.271 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.904 3.509 0.458 1.00 0.00 H new ATOM 236 N PRO A 21 6.419 5.927 1.459 1.00 0.00 N ATOM 237 CA PRO A 21 5.779 6.277 2.730 1.00 0.00 C ATOM 238 C PRO A 21 5.943 5.185 3.782 1.00 0.00 C ATOM 239 O PRO A 21 6.298 4.051 3.462 1.00 0.00 O ATOM 240 CB PRO A 21 4.304 6.438 2.352 1.00 0.00 C ATOM 241 CG PRO A 21 4.130 5.592 1.138 1.00 0.00 C ATOM 242 CD PRO A 21 5.436 5.659 0.396 1.00 0.00 C ATOM 0 HA PRO A 21 6.219 7.169 3.176 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.650 6.110 3.160 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.059 7.480 2.147 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.888 4.565 1.410 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.311 5.960 0.520 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.651 4.726 -0.124 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.431 6.449 -0.355 1.00 0.00 H new ATOM 250 N ARG A 22 5.681 5.535 5.037 1.00 0.00 N ATOM 251 CA ARG A 22 5.800 4.584 6.136 1.00 0.00 C ATOM 252 C ARG A 22 4.436 4.294 6.754 1.00 0.00 C ATOM 253 O ARG A 22 3.429 4.888 6.368 1.00 0.00 O ATOM 254 CB ARG A 22 6.752 5.125 7.205 1.00 0.00 C ATOM 255 CG ARG A 22 7.947 5.872 6.635 1.00 0.00 C ATOM 256 CD ARG A 22 9.055 4.917 6.222 1.00 0.00 C ATOM 257 NE ARG A 22 8.744 4.224 4.974 1.00 0.00 N ATOM 258 CZ ARG A 22 9.406 3.157 4.541 1.00 0.00 C ATOM 259 NH1 ARG A 22 10.410 2.662 5.252 1.00 0.00 N ATOM 260 NH2 ARG A 22 9.064 2.582 3.395 1.00 0.00 N ATOM 0 H ARG A 22 5.385 6.470 5.318 1.00 0.00 H new ATOM 0 HA ARG A 22 6.204 3.654 5.737 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.200 5.792 7.867 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.110 4.295 7.814 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.632 6.460 5.773 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.327 6.573 7.378 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.987 5.471 6.107 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.216 4.184 7.013 1.00 0.00 H new ATOM 0 HE ARG A 22 7.976 4.579 4.404 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.676 3.101 6.134 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.917 1.843 4.917 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.292 2.959 2.846 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.573 1.763 3.064 1.00 0.00 H new ATOM 274 N ASP A 23 4.411 3.377 7.715 1.00 0.00 N ATOM 275 CA ASP A 23 3.170 3.007 8.387 1.00 0.00 C ATOM 276 C ASP A 23 2.089 2.646 7.373 1.00 0.00 C ATOM 277 O ASP A 23 0.940 3.067 7.500 1.00 0.00 O ATOM 278 CB ASP A 23 2.688 4.152 9.279 1.00 0.00 C ATOM 279 CG ASP A 23 3.622 4.410 10.446 1.00 0.00 C ATOM 280 OD1 ASP A 23 4.845 4.506 10.216 1.00 0.00 O ATOM 281 OD2 ASP A 23 3.128 4.515 11.589 1.00 0.00 O ATOM 0 H ASP A 23 5.236 2.876 8.046 1.00 0.00 H new ATOM 0 HA ASP A 23 3.368 2.132 9.006 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.597 5.060 8.683 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.693 3.919 9.658 1.00 0.00 H new ATOM 286 N VAL A 24 2.467 1.864 6.367 1.00 0.00 N ATOM 287 CA VAL A 24 1.530 1.446 5.331 1.00 0.00 C ATOM 288 C VAL A 24 0.573 0.380 5.853 1.00 0.00 C ATOM 289 O VAL A 24 0.966 -0.763 6.085 1.00 0.00 O ATOM 290 CB VAL A 24 2.268 0.896 4.096 1.00 0.00 C ATOM 291 CG1 VAL A 24 1.274 0.419 3.048 1.00 0.00 C ATOM 292 CG2 VAL A 24 3.199 1.952 3.518 1.00 0.00 C ATOM 0 H VAL A 24 3.415 1.507 6.247 1.00 0.00 H new ATOM 0 HA VAL A 24 0.962 2.330 5.042 1.00 0.00 H new ATOM 0 HB VAL A 24 2.871 0.042 4.405 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.814 0.034 2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.652 -0.371 3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.642 1.252 2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.712 1.547 2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.619 2.827 3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.934 2.240 4.270 1.00 0.00 H new ATOM 302 N VAL A 25 -0.687 0.763 6.036 1.00 0.00 N ATOM 303 CA VAL A 25 -1.702 -0.160 6.530 1.00 0.00 C ATOM 304 C VAL A 25 -3.047 0.091 5.857 1.00 0.00 C ATOM 305 O VAL A 25 -3.203 1.046 5.096 1.00 0.00 O ATOM 306 CB VAL A 25 -1.874 -0.041 8.056 1.00 0.00 C ATOM 307 CG1 VAL A 25 -0.522 -0.076 8.751 1.00 0.00 C ATOM 308 CG2 VAL A 25 -2.631 1.231 8.409 1.00 0.00 C ATOM 0 H VAL A 25 -1.029 1.706 5.850 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.360 -1.166 6.288 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.457 -0.893 8.405 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.664 0.009 9.828 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.021 -1.017 8.525 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.090 0.755 8.399 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.744 1.299 9.491 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.077 2.097 8.047 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.616 1.210 7.942 1.00 0.00 H new ATOM 318 N ALA A 26 -4.016 -0.772 6.143 1.00 0.00 N ATOM 319 CA ALA A 26 -5.349 -0.643 5.567 1.00 0.00 C ATOM 320 C ALA A 26 -6.355 -0.176 6.613 1.00 0.00 C ATOM 321 O ALA A 26 -6.777 -0.951 7.472 1.00 0.00 O ATOM 322 CB ALA A 26 -5.791 -1.966 4.959 1.00 0.00 C ATOM 0 H ALA A 26 -3.903 -1.568 6.770 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.307 0.110 4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.788 -1.855 4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.092 -2.258 4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.810 -2.734 5.733 1.00 0.00 H new ATOM 328 N SER A 27 -6.737 1.095 6.535 1.00 0.00 N ATOM 329 CA SER A 27 -7.691 1.666 7.478 1.00 0.00 C ATOM 330 C SER A 27 -8.988 0.862 7.492 1.00 0.00 C ATOM 331 O SER A 27 -9.652 0.752 8.523 1.00 0.00 O ATOM 332 CB SER A 27 -7.985 3.123 7.118 1.00 0.00 C ATOM 333 OG SER A 27 -9.213 3.550 7.684 1.00 0.00 O ATOM 0 H SER A 27 -6.400 1.749 5.828 1.00 0.00 H new ATOM 0 HA SER A 27 -7.249 1.627 8.474 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.175 3.760 7.475 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.023 3.233 6.034 1.00 0.00 H new ATOM 0 HG SER A 27 -9.378 4.485 7.441 1.00 0.00 H new ATOM 339 N LEU A 28 -9.342 0.302 6.341 1.00 0.00 N ATOM 340 CA LEU A 28 -10.559 -0.493 6.219 1.00 0.00 C ATOM 341 C LEU A 28 -10.436 -1.508 5.087 1.00 0.00 C ATOM 342 O LEU A 28 -9.732 -1.276 4.105 1.00 0.00 O ATOM 343 CB LEU A 28 -11.764 0.418 5.974 1.00 0.00 C ATOM 344 CG LEU A 28 -13.000 -0.252 5.373 1.00 0.00 C ATOM 345 CD1 LEU A 28 -14.249 0.562 5.676 1.00 0.00 C ATOM 346 CD2 LEU A 28 -12.832 -0.434 3.872 1.00 0.00 C ATOM 0 H LEU A 28 -8.804 0.384 5.479 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.705 -1.035 7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.048 0.875 6.922 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.455 1.226 5.311 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.113 -1.236 5.828 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.119 0.070 5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.379 0.640 6.755 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.145 1.560 5.250 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.721 -0.912 3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.693 0.539 3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.961 -1.059 3.677 1.00 0.00 H new ATOM 358 N VAL A 29 -11.128 -2.634 5.231 1.00 0.00 N ATOM 359 CA VAL A 29 -11.098 -3.684 4.220 1.00 0.00 C ATOM 360 C VAL A 29 -12.508 -4.057 3.775 1.00 0.00 C ATOM 361 O VAL A 29 -13.197 -4.828 4.443 1.00 0.00 O ATOM 362 CB VAL A 29 -10.385 -4.946 4.741 1.00 0.00 C ATOM 363 CG1 VAL A 29 -10.506 -6.081 3.736 1.00 0.00 C ATOM 364 CG2 VAL A 29 -8.925 -4.645 5.045 1.00 0.00 C ATOM 0 H VAL A 29 -11.716 -2.842 6.038 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.543 -3.289 3.369 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.868 -5.260 5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.996 -6.964 4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.559 -6.312 3.573 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.050 -5.782 2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.436 -5.547 5.412 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.427 -4.306 4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.865 -3.865 5.804 1.00 0.00 H new ATOM 374 N SER A 30 -12.930 -3.506 2.641 1.00 0.00 N ATOM 375 CA SER A 30 -14.260 -3.779 2.108 1.00 0.00 C ATOM 376 C SER A 30 -14.248 -5.030 1.235 1.00 0.00 C ATOM 377 O SER A 30 -13.189 -5.511 0.831 1.00 0.00 O ATOM 378 CB SER A 30 -14.762 -2.583 1.297 1.00 0.00 C ATOM 379 OG SER A 30 -15.862 -2.946 0.481 1.00 0.00 O ATOM 0 H SER A 30 -12.371 -2.869 2.074 1.00 0.00 H new ATOM 0 HA SER A 30 -14.934 -3.949 2.948 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.056 -1.779 1.972 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.955 -2.197 0.674 1.00 0.00 H new ATOM 0 HG SER A 30 -15.987 -2.271 -0.218 1.00 0.00 H new ATOM 385 N THR A 31 -15.436 -5.554 0.947 1.00 0.00 N ATOM 386 CA THR A 31 -15.565 -6.750 0.124 1.00 0.00 C ATOM 387 C THR A 31 -15.379 -6.423 -1.354 1.00 0.00 C ATOM 388 O THR A 31 -15.101 -7.306 -2.164 1.00 0.00 O ATOM 389 CB THR A 31 -16.936 -7.422 0.321 1.00 0.00 C ATOM 390 OG1 THR A 31 -17.984 -6.464 0.131 1.00 0.00 O ATOM 391 CG2 THR A 31 -17.045 -8.032 1.710 1.00 0.00 C ATOM 0 H THR A 31 -16.323 -5.168 1.272 1.00 0.00 H new ATOM 0 HA THR A 31 -14.782 -7.439 0.442 1.00 0.00 H new ATOM 0 HB THR A 31 -17.035 -8.218 -0.417 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.853 -6.900 0.256 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.022 -8.501 1.826 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.265 -8.782 1.840 1.00 0.00 H new ATOM 0 HG23 THR A 31 -16.926 -7.251 2.461 1.00 0.00 H new ATOM 399 N ARG A 32 -15.535 -5.148 -1.697 1.00 0.00 N ATOM 400 CA ARG A 32 -15.386 -4.705 -3.078 1.00 0.00 C ATOM 401 C ARG A 32 -14.230 -3.717 -3.209 1.00 0.00 C ATOM 402 O ARG A 32 -13.876 -3.304 -4.313 1.00 0.00 O ATOM 403 CB ARG A 32 -16.681 -4.059 -3.572 1.00 0.00 C ATOM 404 CG ARG A 32 -17.825 -5.045 -3.748 1.00 0.00 C ATOM 405 CD ARG A 32 -19.011 -4.403 -4.450 1.00 0.00 C ATOM 406 NE ARG A 32 -20.242 -5.162 -4.250 1.00 0.00 N ATOM 407 CZ ARG A 32 -21.446 -4.713 -4.586 1.00 0.00 C ATOM 408 NH1 ARG A 32 -21.579 -3.514 -5.136 1.00 0.00 N ATOM 409 NH2 ARG A 32 -22.519 -5.463 -4.372 1.00 0.00 N ATOM 0 H ARG A 32 -15.764 -4.404 -1.038 1.00 0.00 H new ATOM 0 HA ARG A 32 -15.167 -5.579 -3.692 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.984 -3.286 -2.866 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.490 -3.564 -4.524 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.481 -5.904 -4.324 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -18.137 -5.420 -2.773 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -19.147 -3.388 -4.077 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -18.802 -4.326 -5.517 1.00 0.00 H new ATOM 0 HE ARG A 32 -20.174 -6.088 -3.829 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -20.756 -2.935 -5.302 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -22.504 -3.171 -5.393 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -22.420 -6.386 -3.949 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -23.443 -5.117 -4.631 1.00 0.00 H new ATOM 423 N PHE A 33 -13.647 -3.343 -2.075 1.00 0.00 N ATOM 424 CA PHE A 33 -12.532 -2.402 -2.063 1.00 0.00 C ATOM 425 C PHE A 33 -11.767 -2.482 -0.745 1.00 0.00 C ATOM 426 O PHE A 33 -12.111 -3.270 0.137 1.00 0.00 O ATOM 427 CB PHE A 33 -13.038 -0.976 -2.287 1.00 0.00 C ATOM 428 CG PHE A 33 -13.572 -0.327 -1.042 1.00 0.00 C ATOM 429 CD1 PHE A 33 -12.721 0.327 -0.166 1.00 0.00 C ATOM 430 CD2 PHE A 33 -14.926 -0.373 -0.747 1.00 0.00 C ATOM 431 CE1 PHE A 33 -13.210 0.925 0.981 1.00 0.00 C ATOM 432 CE2 PHE A 33 -15.420 0.224 0.398 1.00 0.00 C ATOM 433 CZ PHE A 33 -14.560 0.873 1.263 1.00 0.00 C ATOM 0 H PHE A 33 -13.928 -3.677 -1.153 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.854 -2.670 -2.873 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.225 -0.368 -2.684 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.822 -0.992 -3.044 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.664 0.370 -0.381 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -15.602 -0.881 -1.419 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -12.536 1.432 1.655 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -16.477 0.183 0.616 1.00 0.00 H new ATOM 0 HZ PHE A 33 -14.944 1.339 2.159 1.00 0.00 H new ATOM 443 N ILE A 34 -10.730 -1.662 -0.620 1.00 0.00 N ATOM 444 CA ILE A 34 -9.917 -1.639 0.590 1.00 0.00 C ATOM 445 C ILE A 34 -9.350 -0.246 0.845 1.00 0.00 C ATOM 446 O ILE A 34 -8.701 0.341 -0.021 1.00 0.00 O ATOM 447 CB ILE A 34 -8.755 -2.646 0.506 1.00 0.00 C ATOM 448 CG1 ILE A 34 -9.292 -4.059 0.271 1.00 0.00 C ATOM 449 CG2 ILE A 34 -7.918 -2.596 1.776 1.00 0.00 C ATOM 450 CD1 ILE A 34 -8.220 -5.058 -0.105 1.00 0.00 C ATOM 0 H ILE A 34 -10.432 -1.005 -1.341 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.571 -1.919 1.415 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.119 -2.375 -0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.796 -4.402 1.174 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.041 -4.027 -0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.101 -3.313 1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.510 -1.593 1.904 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.543 -2.846 2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.673 -6.038 -0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.731 -4.738 -1.025 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.483 -5.119 0.695 1.00 0.00 H new ATOM 462 N LYS A 35 -9.599 0.278 2.040 1.00 0.00 N ATOM 463 CA LYS A 35 -9.112 1.601 2.413 1.00 0.00 C ATOM 464 C LYS A 35 -7.674 1.529 2.916 1.00 0.00 C ATOM 465 O LYS A 35 -7.375 0.814 3.874 1.00 0.00 O ATOM 466 CB LYS A 35 -10.010 2.213 3.490 1.00 0.00 C ATOM 467 CG LYS A 35 -9.905 3.725 3.582 1.00 0.00 C ATOM 468 CD LYS A 35 -10.772 4.409 2.538 1.00 0.00 C ATOM 469 CE LYS A 35 -10.378 5.867 2.355 1.00 0.00 C ATOM 470 NZ LYS A 35 -11.491 6.674 1.783 1.00 0.00 N ATOM 0 H LYS A 35 -10.136 -0.194 2.768 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.137 2.233 1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.045 1.941 3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.751 1.780 4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.207 4.052 4.577 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.866 4.027 3.448 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.681 3.884 1.587 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.819 4.348 2.836 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.082 6.287 3.316 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.510 5.929 1.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.172 7.654 1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.780 6.269 0.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.299 6.664 2.437 1.00 0.00 H new ATOM 484 N LEU A 36 -6.787 2.274 2.267 1.00 0.00 N ATOM 485 CA LEU A 36 -5.379 2.297 2.650 1.00 0.00 C ATOM 486 C LEU A 36 -5.053 3.552 3.453 1.00 0.00 C ATOM 487 O LEU A 36 -5.738 4.569 3.342 1.00 0.00 O ATOM 488 CB LEU A 36 -4.491 2.227 1.407 1.00 0.00 C ATOM 489 CG LEU A 36 -4.110 0.825 0.931 1.00 0.00 C ATOM 490 CD1 LEU A 36 -3.415 0.055 2.043 1.00 0.00 C ATOM 491 CD2 LEU A 36 -5.341 0.073 0.448 1.00 0.00 C ATOM 0 H LEU A 36 -7.017 2.871 1.472 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.184 1.427 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.001 2.739 0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.575 2.782 1.608 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.417 0.921 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.151 -0.941 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.511 0.585 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.084 -0.032 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.051 -0.923 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.058 -0.013 1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.797 0.616 -0.380 1.00 0.00 H new ATOM 503 N THR A 37 -4.000 3.474 4.261 1.00 0.00 N ATOM 504 CA THR A 37 -3.582 4.604 5.082 1.00 0.00 C ATOM 505 C THR A 37 -2.106 4.500 5.449 1.00 0.00 C ATOM 506 O THR A 37 -1.650 3.467 5.938 1.00 0.00 O ATOM 507 CB THR A 37 -4.415 4.698 6.374 1.00 0.00 C ATOM 508 OG1 THR A 37 -4.552 3.401 6.965 1.00 0.00 O ATOM 509 CG2 THR A 37 -5.792 5.279 6.090 1.00 0.00 C ATOM 0 H THR A 37 -3.421 2.640 4.364 1.00 0.00 H new ATOM 0 HA THR A 37 -3.744 5.504 4.488 1.00 0.00 H new ATOM 0 HB THR A 37 -3.895 5.359 7.067 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.940 3.489 7.861 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.361 5.335 7.018 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.685 6.278 5.668 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.317 4.640 5.380 1.00 0.00 H new ATOM 517 N TRP A 38 -1.366 5.576 5.210 1.00 0.00 N ATOM 518 CA TRP A 38 0.060 5.606 5.516 1.00 0.00 C ATOM 519 C TRP A 38 0.489 6.994 5.978 1.00 0.00 C ATOM 520 O TRP A 38 -0.282 7.951 5.897 1.00 0.00 O ATOM 521 CB TRP A 38 0.875 5.188 4.291 1.00 0.00 C ATOM 522 CG TRP A 38 0.635 6.056 3.094 1.00 0.00 C ATOM 523 CD1 TRP A 38 1.245 7.244 2.807 1.00 0.00 C ATOM 524 CD2 TRP A 38 -0.282 5.805 2.023 1.00 0.00 C ATOM 525 NE1 TRP A 38 0.763 7.746 1.623 1.00 0.00 N ATOM 526 CE2 TRP A 38 -0.175 6.882 1.122 1.00 0.00 C ATOM 527 CE3 TRP A 38 -1.182 4.775 1.737 1.00 0.00 C ATOM 528 CZ2 TRP A 38 -0.934 6.956 -0.043 1.00 0.00 C ATOM 529 CZ3 TRP A 38 -1.935 4.850 0.581 1.00 0.00 C ATOM 530 CH2 TRP A 38 -1.807 5.934 -0.298 1.00 0.00 C ATOM 0 H TRP A 38 -1.729 6.439 4.805 1.00 0.00 H new ATOM 0 HA TRP A 38 0.247 4.900 6.326 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.935 5.214 4.543 1.00 0.00 H new ATOM 0 HB3 TRP A 38 0.633 4.156 4.037 1.00 0.00 H new ATOM 0 HD1 TRP A 38 1.996 7.719 3.421 1.00 0.00 H new ATOM 0 HE1 TRP A 38 1.056 8.620 1.187 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.287 3.935 2.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.837 7.791 -0.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.634 4.060 0.351 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -2.409 5.963 -1.194 1.00 0.00 H new ATOM 541 N ARG A 39 1.723 7.098 6.461 1.00 0.00 N ATOM 542 CA ARG A 39 2.253 8.370 6.936 1.00 0.00 C ATOM 543 C ARG A 39 3.236 8.959 5.929 1.00 0.00 C ATOM 544 O ARG A 39 3.506 8.363 4.885 1.00 0.00 O ATOM 545 CB ARG A 39 2.941 8.187 8.290 1.00 0.00 C ATOM 546 CG ARG A 39 1.973 7.962 9.440 1.00 0.00 C ATOM 547 CD ARG A 39 2.709 7.723 10.749 1.00 0.00 C ATOM 548 NE ARG A 39 1.832 7.877 11.906 1.00 0.00 N ATOM 549 CZ ARG A 39 1.464 9.055 12.398 1.00 0.00 C ATOM 550 NH1 ARG A 39 1.895 10.176 11.836 1.00 0.00 N ATOM 551 NH2 ARG A 39 0.663 9.113 13.454 1.00 0.00 N ATOM 0 H ARG A 39 2.374 6.316 6.534 1.00 0.00 H new ATOM 0 HA ARG A 39 1.419 9.062 7.051 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.623 7.339 8.230 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.546 9.068 8.503 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.319 8.828 9.542 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.335 7.106 9.218 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.134 6.719 10.748 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.542 8.422 10.830 1.00 0.00 H new ATOM 0 HE ARG A 39 1.483 7.034 12.362 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.511 10.135 11.024 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.611 11.079 12.216 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.329 8.253 13.889 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.381 10.018 13.831 1.00 0.00 H new ATOM 565 N THR A 40 3.770 10.134 6.248 1.00 0.00 N ATOM 566 CA THR A 40 4.722 10.805 5.372 1.00 0.00 C ATOM 567 C THR A 40 6.061 10.077 5.355 1.00 0.00 C ATOM 568 O THR A 40 6.526 9.559 6.371 1.00 0.00 O ATOM 569 CB THR A 40 4.950 12.266 5.803 1.00 0.00 C ATOM 570 OG1 THR A 40 4.784 12.390 7.220 1.00 0.00 O ATOM 571 CG2 THR A 40 3.981 13.198 5.091 1.00 0.00 C ATOM 0 H THR A 40 3.559 10.641 7.108 1.00 0.00 H new ATOM 0 HA THR A 40 4.292 10.793 4.370 1.00 0.00 H new ATOM 0 HB THR A 40 5.967 12.548 5.530 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.015 13.301 7.498 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.161 14.224 5.412 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.129 13.123 4.014 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.957 12.916 5.337 1.00 0.00 H new ATOM 579 N PRO A 41 6.699 10.036 4.176 1.00 0.00 N ATOM 580 CA PRO A 41 7.995 9.375 3.999 1.00 0.00 C ATOM 581 C PRO A 41 9.127 10.123 4.696 1.00 0.00 C ATOM 582 O PRO A 41 9.007 11.311 4.994 1.00 0.00 O ATOM 583 CB PRO A 41 8.198 9.391 2.482 1.00 0.00 C ATOM 584 CG PRO A 41 7.390 10.548 2.004 1.00 0.00 C ATOM 585 CD PRO A 41 6.203 10.633 2.924 1.00 0.00 C ATOM 0 HA PRO A 41 8.005 8.375 4.433 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.250 9.510 2.225 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.862 8.459 2.028 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.972 11.469 2.032 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.074 10.403 0.971 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.881 11.664 3.070 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.348 10.085 2.529 1.00 0.00 H new ATOM 593 N ALA A 42 10.225 9.420 4.952 1.00 0.00 N ATOM 594 CA ALA A 42 11.379 10.018 5.611 1.00 0.00 C ATOM 595 C ALA A 42 11.946 11.170 4.788 1.00 0.00 C ATOM 596 O ALA A 42 12.423 12.162 5.337 1.00 0.00 O ATOM 597 CB ALA A 42 12.450 8.966 5.858 1.00 0.00 C ATOM 0 H ALA A 42 10.340 8.435 4.713 1.00 0.00 H new ATOM 0 HA ALA A 42 11.051 10.419 6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.306 9.427 6.351 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.046 8.178 6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.766 8.538 4.907 1.00 0.00 H new ATOM 603 N SER A 43 11.890 11.031 3.467 1.00 0.00 N ATOM 604 CA SER A 43 12.402 12.058 2.568 1.00 0.00 C ATOM 605 C SER A 43 11.508 13.294 2.590 1.00 0.00 C ATOM 606 O SER A 43 11.985 14.421 2.456 1.00 0.00 O ATOM 607 CB SER A 43 12.502 11.513 1.141 1.00 0.00 C ATOM 608 OG SER A 43 11.218 11.361 0.562 1.00 0.00 O ATOM 0 H SER A 43 11.495 10.217 2.996 1.00 0.00 H new ATOM 0 HA SER A 43 13.396 12.344 2.911 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.102 12.189 0.531 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.016 10.552 1.151 1.00 0.00 H new ATOM 0 HG SER A 43 10.668 10.785 1.133 1.00 0.00 H new ATOM 614 N ASP A 44 10.209 13.074 2.761 1.00 0.00 N ATOM 615 CA ASP A 44 9.247 14.169 2.803 1.00 0.00 C ATOM 616 C ASP A 44 8.330 14.042 4.015 1.00 0.00 C ATOM 617 O ASP A 44 7.360 13.284 4.013 1.00 0.00 O ATOM 618 CB ASP A 44 8.415 14.195 1.519 1.00 0.00 C ATOM 619 CG ASP A 44 9.040 15.058 0.441 1.00 0.00 C ATOM 620 OD1 ASP A 44 8.942 16.299 0.544 1.00 0.00 O ATOM 621 OD2 ASP A 44 9.626 14.494 -0.506 1.00 0.00 O ATOM 0 H ASP A 44 9.798 12.147 2.873 1.00 0.00 H new ATOM 0 HA ASP A 44 9.802 15.103 2.887 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.299 13.178 1.144 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.416 14.568 1.745 1.00 0.00 H new ATOM 626 N PRO A 45 8.644 14.799 5.077 1.00 0.00 N ATOM 627 CA PRO A 45 7.861 14.788 6.316 1.00 0.00 C ATOM 628 C PRO A 45 6.489 15.429 6.141 1.00 0.00 C ATOM 629 O PRO A 45 5.618 15.302 7.003 1.00 0.00 O ATOM 630 CB PRO A 45 8.716 15.610 7.283 1.00 0.00 C ATOM 631 CG PRO A 45 9.524 16.505 6.408 1.00 0.00 C ATOM 632 CD PRO A 45 9.786 15.725 5.149 1.00 0.00 C ATOM 0 HA PRO A 45 7.658 13.774 6.661 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.095 16.184 7.971 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.354 14.968 7.890 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.986 17.428 6.191 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.458 16.787 6.894 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.831 16.375 4.276 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.734 15.190 5.198 1.00 0.00 H new ATOM 640 N HIS A 46 6.301 16.117 5.019 1.00 0.00 N ATOM 641 CA HIS A 46 5.033 16.778 4.731 1.00 0.00 C ATOM 642 C HIS A 46 4.361 16.155 3.511 1.00 0.00 C ATOM 643 O HIS A 46 3.139 16.198 3.373 1.00 0.00 O ATOM 644 CB HIS A 46 5.254 18.273 4.498 1.00 0.00 C ATOM 645 CG HIS A 46 5.406 19.060 5.763 1.00 0.00 C ATOM 646 ND1 HIS A 46 4.342 19.643 6.419 1.00 0.00 N ATOM 647 CD2 HIS A 46 6.505 19.358 6.494 1.00 0.00 C ATOM 648 CE1 HIS A 46 4.781 20.267 7.497 1.00 0.00 C ATOM 649 NE2 HIS A 46 6.090 20.109 7.566 1.00 0.00 N ATOM 0 H HIS A 46 7.010 16.231 4.295 1.00 0.00 H new ATOM 0 HA HIS A 46 4.378 16.645 5.592 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.145 18.409 3.886 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.413 18.672 3.930 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.520 19.060 6.275 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.173 20.814 8.202 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.695 20.484 8.297 1.00 0.00 H new ATOM 658 N GLY A 47 5.169 15.576 2.627 1.00 0.00 N ATOM 659 CA GLY A 47 4.634 14.953 1.430 1.00 0.00 C ATOM 660 C GLY A 47 3.385 15.647 0.924 1.00 0.00 C ATOM 661 O GLY A 47 2.424 14.993 0.519 1.00 0.00 O ATOM 0 H GLY A 47 6.184 15.527 2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.394 14.963 0.648 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.406 13.908 1.639 1.00 0.00 H new ATOM 665 N ASP A 48 3.397 16.975 0.949 1.00 0.00 N ATOM 666 CA ASP A 48 2.256 17.759 0.490 1.00 0.00 C ATOM 667 C ASP A 48 2.456 18.217 -0.951 1.00 0.00 C ATOM 668 O ASP A 48 1.506 18.613 -1.625 1.00 0.00 O ATOM 669 CB ASP A 48 2.043 18.970 1.399 1.00 0.00 C ATOM 670 CG ASP A 48 0.804 19.761 1.028 1.00 0.00 C ATOM 671 OD1 ASP A 48 -0.315 19.260 1.269 1.00 0.00 O ATOM 672 OD2 ASP A 48 0.952 20.882 0.498 1.00 0.00 O ATOM 0 H ASP A 48 4.184 17.531 1.282 1.00 0.00 H new ATOM 0 HA ASP A 48 1.371 17.125 0.531 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.960 18.635 2.433 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.916 19.620 1.344 1.00 0.00 H new ATOM 677 N ASN A 49 3.700 18.162 -1.417 1.00 0.00 N ATOM 678 CA ASN A 49 4.026 18.574 -2.777 1.00 0.00 C ATOM 679 C ASN A 49 4.374 17.366 -3.642 1.00 0.00 C ATOM 680 O ASN A 49 5.019 17.500 -4.683 1.00 0.00 O ATOM 681 CB ASN A 49 5.193 19.562 -2.768 1.00 0.00 C ATOM 682 CG ASN A 49 6.469 18.945 -2.227 1.00 0.00 C ATOM 683 OD1 ASN A 49 7.377 18.606 -2.985 1.00 0.00 O ATOM 684 ND2 ASN A 49 6.542 18.798 -0.910 1.00 0.00 N ATOM 0 H ASN A 49 4.498 17.836 -0.872 1.00 0.00 H new ATOM 0 HA ASN A 49 3.149 19.063 -3.202 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.368 19.922 -3.782 1.00 0.00 H new ATOM 0 HB3 ASN A 49 4.927 20.429 -2.163 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.376 18.390 -0.488 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.764 19.094 -0.320 1.00 0.00 H new ATOM 691 N LEU A 50 3.943 16.188 -3.205 1.00 0.00 N ATOM 692 CA LEU A 50 4.208 14.956 -3.939 1.00 0.00 C ATOM 693 C LEU A 50 3.022 14.002 -3.847 1.00 0.00 C ATOM 694 O LEU A 50 2.519 13.720 -2.759 1.00 0.00 O ATOM 695 CB LEU A 50 5.467 14.277 -3.396 1.00 0.00 C ATOM 696 CG LEU A 50 5.695 14.393 -1.889 1.00 0.00 C ATOM 697 CD1 LEU A 50 4.950 13.292 -1.150 1.00 0.00 C ATOM 698 CD2 LEU A 50 7.182 14.340 -1.569 1.00 0.00 C ATOM 0 H LEU A 50 3.408 16.060 -2.346 1.00 0.00 H new ATOM 0 HA LEU A 50 4.364 15.212 -4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.426 13.219 -3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.332 14.698 -3.908 1.00 0.00 H new ATOM 0 HG LEU A 50 5.305 15.355 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.124 13.391 -0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.882 13.375 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.309 12.320 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.326 14.424 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.596 13.394 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.691 15.164 -2.068 1.00 0.00 H new ATOM 710 N THR A 51 2.579 13.504 -4.998 1.00 0.00 N ATOM 711 CA THR A 51 1.453 12.580 -5.048 1.00 0.00 C ATOM 712 C THR A 51 1.860 11.190 -4.571 1.00 0.00 C ATOM 713 O THR A 51 3.046 10.865 -4.518 1.00 0.00 O ATOM 714 CB THR A 51 0.877 12.473 -6.473 1.00 0.00 C ATOM 715 OG1 THR A 51 1.023 13.723 -7.155 1.00 0.00 O ATOM 716 CG2 THR A 51 -0.592 12.078 -6.435 1.00 0.00 C ATOM 0 H THR A 51 2.983 13.726 -5.908 1.00 0.00 H new ATOM 0 HA THR A 51 0.687 12.979 -4.383 1.00 0.00 H new ATOM 0 HB THR A 51 1.430 11.701 -7.008 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.656 13.646 -8.061 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.977 12.009 -7.453 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.696 11.112 -5.941 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.157 12.830 -5.884 1.00 0.00 H new ATOM 724 N TYR A 52 0.870 10.375 -4.226 1.00 0.00 N ATOM 725 CA TYR A 52 1.125 9.020 -3.752 1.00 0.00 C ATOM 726 C TYR A 52 0.378 7.996 -4.600 1.00 0.00 C ATOM 727 O TYR A 52 -0.846 8.051 -4.725 1.00 0.00 O ATOM 728 CB TYR A 52 0.712 8.884 -2.286 1.00 0.00 C ATOM 729 CG TYR A 52 1.629 9.610 -1.328 1.00 0.00 C ATOM 730 CD1 TYR A 52 2.929 9.169 -1.111 1.00 0.00 C ATOM 731 CD2 TYR A 52 1.196 10.736 -0.639 1.00 0.00 C ATOM 732 CE1 TYR A 52 3.771 9.828 -0.237 1.00 0.00 C ATOM 733 CE2 TYR A 52 2.032 11.402 0.237 1.00 0.00 C ATOM 734 CZ TYR A 52 3.318 10.945 0.434 1.00 0.00 C ATOM 735 OH TYR A 52 4.152 11.605 1.307 1.00 0.00 O ATOM 0 H TYR A 52 -0.117 10.629 -4.266 1.00 0.00 H new ATOM 0 HA TYR A 52 2.194 8.827 -3.841 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.301 9.267 -2.166 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.687 7.827 -2.021 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.287 8.295 -1.635 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.189 11.097 -0.790 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.778 9.471 -0.080 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.680 12.276 0.765 1.00 0.00 H new ATOM 0 HH TYR A 52 3.690 11.743 2.160 1.00 0.00 H new ATOM 745 N SER A 53 1.123 7.061 -5.181 1.00 0.00 N ATOM 746 CA SER A 53 0.533 6.025 -6.021 1.00 0.00 C ATOM 747 C SER A 53 0.347 4.730 -5.236 1.00 0.00 C ATOM 748 O SER A 53 1.056 4.474 -4.262 1.00 0.00 O ATOM 749 CB SER A 53 1.412 5.770 -7.247 1.00 0.00 C ATOM 750 OG SER A 53 1.301 6.828 -8.183 1.00 0.00 O ATOM 0 H SER A 53 2.137 7.000 -5.085 1.00 0.00 H new ATOM 0 HA SER A 53 -0.446 6.373 -6.351 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.451 5.662 -6.937 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.121 4.831 -7.718 1.00 0.00 H new ATOM 0 HG SER A 53 1.598 6.518 -9.064 1.00 0.00 H new ATOM 756 N VAL A 54 -0.612 3.917 -5.666 1.00 0.00 N ATOM 757 CA VAL A 54 -0.892 2.647 -5.006 1.00 0.00 C ATOM 758 C VAL A 54 -1.036 1.520 -6.021 1.00 0.00 C ATOM 759 O VAL A 54 -1.981 1.498 -6.811 1.00 0.00 O ATOM 760 CB VAL A 54 -2.174 2.727 -4.157 1.00 0.00 C ATOM 761 CG1 VAL A 54 -2.555 1.350 -3.634 1.00 0.00 C ATOM 762 CG2 VAL A 54 -1.994 3.711 -3.011 1.00 0.00 C ATOM 0 H VAL A 54 -1.209 4.115 -6.469 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.045 2.436 -4.353 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.986 3.086 -4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.463 1.426 -3.036 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.729 0.677 -4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.746 0.959 -3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.910 3.755 -2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.170 3.384 -2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.773 4.700 -3.412 1.00 0.00 H new ATOM 772 N PHE A 55 -0.094 0.583 -5.995 1.00 0.00 N ATOM 773 CA PHE A 55 -0.115 -0.549 -6.914 1.00 0.00 C ATOM 774 C PHE A 55 -0.664 -1.797 -6.228 1.00 0.00 C ATOM 775 O PHE A 55 -0.073 -2.304 -5.274 1.00 0.00 O ATOM 776 CB PHE A 55 1.291 -0.825 -7.451 1.00 0.00 C ATOM 777 CG PHE A 55 1.979 0.399 -7.985 1.00 0.00 C ATOM 778 CD1 PHE A 55 2.469 1.366 -7.122 1.00 0.00 C ATOM 779 CD2 PHE A 55 2.136 0.582 -9.349 1.00 0.00 C ATOM 780 CE1 PHE A 55 3.104 2.493 -7.610 1.00 0.00 C ATOM 781 CE2 PHE A 55 2.769 1.706 -9.843 1.00 0.00 C ATOM 782 CZ PHE A 55 3.253 2.664 -8.973 1.00 0.00 C ATOM 0 H PHE A 55 0.694 0.585 -5.347 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.771 -0.295 -7.747 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.898 -1.255 -6.654 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.229 -1.572 -8.243 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.354 1.238 -6.056 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.759 -0.163 -10.034 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.483 3.239 -6.927 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.886 1.836 -10.909 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.747 3.544 -9.357 1.00 0.00 H new ATOM 792 N TYR A 56 -1.797 -2.285 -6.719 1.00 0.00 N ATOM 793 CA TYR A 56 -2.428 -3.471 -6.151 1.00 0.00 C ATOM 794 C TYR A 56 -2.423 -4.622 -7.152 1.00 0.00 C ATOM 795 O TYR A 56 -2.627 -4.420 -8.350 1.00 0.00 O ATOM 796 CB TYR A 56 -3.863 -3.156 -5.725 1.00 0.00 C ATOM 797 CG TYR A 56 -4.669 -2.446 -6.789 1.00 0.00 C ATOM 798 CD1 TYR A 56 -4.561 -1.072 -6.968 1.00 0.00 C ATOM 799 CD2 TYR A 56 -5.538 -3.148 -7.614 1.00 0.00 C ATOM 800 CE1 TYR A 56 -5.296 -0.418 -7.938 1.00 0.00 C ATOM 801 CE2 TYR A 56 -6.276 -2.503 -8.588 1.00 0.00 C ATOM 802 CZ TYR A 56 -6.151 -1.138 -8.746 1.00 0.00 C ATOM 803 OH TYR A 56 -6.885 -0.491 -9.714 1.00 0.00 O ATOM 0 H TYR A 56 -2.298 -1.878 -7.509 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.854 -3.773 -5.275 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.367 -4.086 -5.460 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.839 -2.539 -4.827 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.891 -0.506 -6.338 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.639 -4.216 -7.492 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.202 0.651 -8.063 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.947 -3.064 -9.222 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.436 -1.142 -10.196 1.00 0.00 H new ATOM 813 N THR A 57 -2.190 -5.832 -6.652 1.00 0.00 N ATOM 814 CA THR A 57 -2.158 -7.016 -7.501 1.00 0.00 C ATOM 815 C THR A 57 -2.325 -8.287 -6.677 1.00 0.00 C ATOM 816 O THR A 57 -1.812 -8.389 -5.562 1.00 0.00 O ATOM 817 CB THR A 57 -0.842 -7.102 -8.296 1.00 0.00 C ATOM 818 OG1 THR A 57 -0.617 -8.449 -8.727 1.00 0.00 O ATOM 819 CG2 THR A 57 0.332 -6.632 -7.451 1.00 0.00 C ATOM 0 H THR A 57 -2.021 -6.017 -5.663 1.00 0.00 H new ATOM 0 HA THR A 57 -2.990 -6.927 -8.200 1.00 0.00 H new ATOM 0 HB THR A 57 -0.926 -6.452 -9.167 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.221 -8.495 -9.233 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.251 -6.702 -8.034 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.172 -5.597 -7.149 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.416 -7.260 -6.564 1.00 0.00 H new ATOM 827 N LYS A 58 -3.044 -9.257 -7.232 1.00 0.00 N ATOM 828 CA LYS A 58 -3.277 -10.524 -6.549 1.00 0.00 C ATOM 829 C LYS A 58 -1.959 -11.226 -6.239 1.00 0.00 C ATOM 830 O LYS A 58 -1.029 -11.201 -7.044 1.00 0.00 O ATOM 831 CB LYS A 58 -4.162 -11.433 -7.406 1.00 0.00 C ATOM 832 CG LYS A 58 -4.919 -12.476 -6.603 1.00 0.00 C ATOM 833 CD LYS A 58 -5.251 -13.696 -7.446 1.00 0.00 C ATOM 834 CE LYS A 58 -6.079 -13.322 -8.666 1.00 0.00 C ATOM 835 NZ LYS A 58 -7.523 -13.171 -8.332 1.00 0.00 N ATOM 0 H LYS A 58 -3.476 -9.190 -8.154 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.786 -10.313 -5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.877 -10.819 -7.954 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.541 -11.937 -8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.322 -12.779 -5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.839 -12.040 -6.214 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.328 -14.181 -7.766 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.798 -14.419 -6.841 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.704 -12.389 -9.087 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.962 -14.088 -9.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.053 -12.916 -9.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.888 -14.069 -7.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.638 -12.423 -7.619 1.00 0.00 H new ATOM 924 N GLU A 64 -0.186 -5.518 -11.870 1.00 0.00 N ATOM 925 CA GLU A 64 -0.712 -4.608 -10.859 1.00 0.00 C ATOM 926 C GLU A 64 -1.108 -3.273 -11.482 1.00 0.00 C ATOM 927 O GLU A 64 -0.493 -2.819 -12.447 1.00 0.00 O ATOM 928 CB GLU A 64 0.324 -4.382 -9.756 1.00 0.00 C ATOM 929 CG GLU A 64 1.458 -3.458 -10.167 1.00 0.00 C ATOM 930 CD GLU A 64 2.576 -3.416 -9.143 1.00 0.00 C ATOM 931 OE1 GLU A 64 2.690 -4.372 -8.348 1.00 0.00 O ATOM 932 OE2 GLU A 64 3.337 -2.425 -9.137 1.00 0.00 O ATOM 0 HA GLU A 64 -1.601 -5.064 -10.424 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.174 -3.965 -8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.740 -5.344 -9.457 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.860 -3.786 -11.125 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.067 -2.451 -10.314 1.00 0.00 H new ATOM 939 N ARG A 65 -2.140 -2.649 -10.924 1.00 0.00 N ATOM 940 CA ARG A 65 -2.620 -1.367 -11.425 1.00 0.00 C ATOM 941 C ARG A 65 -2.310 -0.246 -10.437 1.00 0.00 C ATOM 942 O ARG A 65 -2.380 -0.438 -9.222 1.00 0.00 O ATOM 943 CB ARG A 65 -4.126 -1.429 -11.686 1.00 0.00 C ATOM 944 CG ARG A 65 -4.490 -2.113 -12.994 1.00 0.00 C ATOM 945 CD ARG A 65 -5.753 -1.521 -13.600 1.00 0.00 C ATOM 946 NE ARG A 65 -5.459 -0.418 -14.510 1.00 0.00 N ATOM 947 CZ ARG A 65 -6.276 -0.031 -15.483 1.00 0.00 C ATOM 948 NH1 ARG A 65 -7.432 -0.654 -15.671 1.00 0.00 N ATOM 949 NH2 ARG A 65 -5.939 0.982 -16.271 1.00 0.00 N ATOM 0 H ARG A 65 -2.660 -3.011 -10.124 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.104 -1.155 -12.362 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.607 -1.958 -10.863 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.527 -0.416 -11.692 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.665 -2.013 -13.700 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.634 -3.179 -12.820 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.296 -2.299 -14.137 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.407 -1.168 -12.802 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.578 0.083 -14.392 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -7.696 -1.433 -15.067 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.057 -0.354 -16.419 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.052 1.465 -16.130 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.567 1.278 -17.018 1.00 0.00 H new ATOM 963 N VAL A 66 -1.968 0.924 -10.965 1.00 0.00 N ATOM 964 CA VAL A 66 -1.648 2.076 -10.130 1.00 0.00 C ATOM 965 C VAL A 66 -2.854 2.995 -9.976 1.00 0.00 C ATOM 966 O VAL A 66 -3.606 3.212 -10.925 1.00 0.00 O ATOM 967 CB VAL A 66 -0.473 2.883 -10.714 1.00 0.00 C ATOM 968 CG1 VAL A 66 -0.939 3.735 -11.884 1.00 0.00 C ATOM 969 CG2 VAL A 66 0.167 3.746 -9.637 1.00 0.00 C ATOM 0 H VAL A 66 -1.905 1.100 -11.968 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.363 1.689 -9.152 1.00 0.00 H new ATOM 0 HB VAL A 66 0.278 2.184 -11.082 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.095 4.298 -12.283 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.347 3.091 -12.663 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.709 4.428 -11.545 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.995 4.309 -10.067 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.574 4.438 -9.237 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.539 3.110 -8.834 1.00 0.00 H new ATOM 979 N GLU A 67 -3.032 3.533 -8.773 1.00 0.00 N ATOM 980 CA GLU A 67 -4.148 4.429 -8.495 1.00 0.00 C ATOM 981 C GLU A 67 -3.659 5.723 -7.851 1.00 0.00 C ATOM 982 O GLU A 67 -3.263 5.738 -6.686 1.00 0.00 O ATOM 983 CB GLU A 67 -5.165 3.744 -7.581 1.00 0.00 C ATOM 984 CG GLU A 67 -6.593 4.218 -7.795 1.00 0.00 C ATOM 985 CD GLU A 67 -7.010 4.175 -9.252 1.00 0.00 C ATOM 986 OE1 GLU A 67 -7.175 3.060 -9.789 1.00 0.00 O ATOM 987 OE2 GLU A 67 -7.171 5.257 -9.855 1.00 0.00 O ATOM 0 H GLU A 67 -2.418 3.364 -7.976 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.629 4.674 -9.442 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.120 2.667 -7.745 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.884 3.921 -6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.270 3.596 -7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.693 5.237 -7.422 1.00 0.00 H new ATOM 994 N ASN A 68 -3.690 6.808 -8.618 1.00 0.00 N ATOM 995 CA ASN A 68 -3.249 8.107 -8.123 1.00 0.00 C ATOM 996 C ASN A 68 -4.290 8.715 -7.188 1.00 0.00 C ATOM 997 O ASN A 68 -5.463 8.840 -7.543 1.00 0.00 O ATOM 998 CB ASN A 68 -2.980 9.057 -9.292 1.00 0.00 C ATOM 999 CG ASN A 68 -2.470 8.330 -10.522 1.00 0.00 C ATOM 1000 OD1 ASN A 68 -3.200 8.147 -11.495 1.00 0.00 O ATOM 1001 ND2 ASN A 68 -1.210 7.913 -10.482 1.00 0.00 N ATOM 0 H ASN A 68 -4.016 6.813 -9.585 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.325 7.960 -7.563 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.897 9.590 -9.542 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.249 9.806 -8.987 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.811 7.419 -11.280 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.641 8.087 -9.653 1.00 0.00 H new ATOM 1008 N THR A 69 -3.854 9.092 -5.991 1.00 0.00 N ATOM 1009 CA THR A 69 -4.747 9.687 -5.004 1.00 0.00 C ATOM 1010 C THR A 69 -5.483 10.890 -5.583 1.00 0.00 C ATOM 1011 O THR A 69 -4.864 11.811 -6.116 1.00 0.00 O ATOM 1012 CB THR A 69 -3.979 10.127 -3.744 1.00 0.00 C ATOM 1013 OG1 THR A 69 -3.021 11.136 -4.081 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.271 8.944 -3.100 1.00 0.00 C ATOM 0 H THR A 69 -2.887 8.996 -5.681 1.00 0.00 H new ATOM 0 HA THR A 69 -5.471 8.919 -4.729 1.00 0.00 H new ATOM 0 HB THR A 69 -4.698 10.532 -3.031 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.487 11.971 -4.297 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.735 9.280 -2.212 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.006 8.190 -2.817 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.564 8.513 -3.809 1.00 0.00 H new ATOM 1022 N SER A 70 -6.808 10.876 -5.474 1.00 0.00 N ATOM 1023 CA SER A 70 -7.629 11.965 -5.990 1.00 0.00 C ATOM 1024 C SER A 70 -6.920 13.305 -5.823 1.00 0.00 C ATOM 1025 O SER A 70 -7.042 14.195 -6.666 1.00 0.00 O ATOM 1026 CB SER A 70 -8.980 11.997 -5.274 1.00 0.00 C ATOM 1027 OG SER A 70 -9.822 12.999 -5.817 1.00 0.00 O ATOM 0 H SER A 70 -7.336 10.123 -5.033 1.00 0.00 H new ATOM 0 HA SER A 70 -7.794 11.791 -7.053 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.464 11.024 -5.361 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.827 12.183 -4.211 1.00 0.00 H new ATOM 0 HG SER A 70 -10.680 12.998 -5.343 1.00 0.00 H new ATOM 1033 N HIS A 71 -6.178 13.443 -4.729 1.00 0.00 N ATOM 1034 CA HIS A 71 -5.448 14.675 -4.450 1.00 0.00 C ATOM 1035 C HIS A 71 -4.017 14.372 -4.015 1.00 0.00 C ATOM 1036 O HIS A 71 -3.742 13.370 -3.354 1.00 0.00 O ATOM 1037 CB HIS A 71 -6.163 15.482 -3.366 1.00 0.00 C ATOM 1038 CG HIS A 71 -7.580 15.822 -3.710 1.00 0.00 C ATOM 1039 ND1 HIS A 71 -7.934 16.959 -4.406 1.00 0.00 N ATOM 1040 CD2 HIS A 71 -8.736 15.167 -3.450 1.00 0.00 C ATOM 1041 CE1 HIS A 71 -9.246 16.989 -4.558 1.00 0.00 C ATOM 1042 NE2 HIS A 71 -9.756 15.912 -3.988 1.00 0.00 N ATOM 0 H HIS A 71 -6.066 12.717 -4.021 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.413 15.263 -5.367 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.150 14.916 -2.435 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.610 16.404 -3.187 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.837 14.232 -2.918 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -9.806 17.762 -5.062 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -10.747 15.673 -3.953 1.00 0.00 H new ATOM 1051 N PRO A 72 -3.083 15.256 -4.394 1.00 0.00 N ATOM 1052 CA PRO A 72 -1.665 15.104 -4.054 1.00 0.00 C ATOM 1053 C PRO A 72 -1.399 15.313 -2.567 1.00 0.00 C ATOM 1054 O PRO A 72 -1.782 16.334 -1.996 1.00 0.00 O ATOM 1055 CB PRO A 72 -0.984 16.200 -4.878 1.00 0.00 C ATOM 1056 CG PRO A 72 -2.041 17.227 -5.091 1.00 0.00 C ATOM 1057 CD PRO A 72 -3.339 16.473 -5.183 1.00 0.00 C ATOM 0 HA PRO A 72 -1.300 14.100 -4.269 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.127 16.618 -4.349 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.614 15.810 -5.826 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.062 17.941 -4.268 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.855 17.796 -6.002 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.169 17.050 -4.774 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.594 16.236 -6.216 1.00 0.00 H new ATOM 1065 N GLY A 73 -0.741 14.340 -1.946 1.00 0.00 N ATOM 1066 CA GLY A 73 -0.436 14.437 -0.530 1.00 0.00 C ATOM 1067 C GLY A 73 -1.307 13.529 0.315 1.00 0.00 C ATOM 1068 O GLY A 73 -0.918 13.132 1.412 1.00 0.00 O ATOM 0 H GLY A 73 -0.413 13.486 -2.397 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.612 14.183 -0.369 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.568 15.468 -0.203 1.00 0.00 H new ATOM 1072 N GLU A 74 -2.490 13.202 -0.197 1.00 0.00 N ATOM 1073 CA GLU A 74 -3.419 12.338 0.520 1.00 0.00 C ATOM 1074 C GLU A 74 -2.680 11.188 1.198 1.00 0.00 C ATOM 1075 O GLU A 74 -2.025 10.381 0.538 1.00 0.00 O ATOM 1076 CB GLU A 74 -4.477 11.784 -0.436 1.00 0.00 C ATOM 1077 CG GLU A 74 -5.816 11.511 0.229 1.00 0.00 C ATOM 1078 CD GLU A 74 -6.855 10.990 -0.744 1.00 0.00 C ATOM 1079 OE1 GLU A 74 -6.507 10.127 -1.578 1.00 0.00 O ATOM 1080 OE2 GLU A 74 -8.016 11.444 -0.673 1.00 0.00 O ATOM 0 H GLU A 74 -2.827 13.523 -1.105 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.910 12.935 1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.624 12.492 -1.252 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.106 10.860 -0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.678 10.785 1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.183 12.428 0.689 1.00 0.00 H new ATOM 1087 N MET A 75 -2.788 11.121 2.521 1.00 0.00 N ATOM 1088 CA MET A 75 -2.131 10.070 3.289 1.00 0.00 C ATOM 1089 C MET A 75 -2.986 8.807 3.327 1.00 0.00 C ATOM 1090 O MET A 75 -2.712 7.884 4.093 1.00 0.00 O ATOM 1091 CB MET A 75 -1.848 10.551 4.714 1.00 0.00 C ATOM 1092 CG MET A 75 -0.776 11.625 4.790 1.00 0.00 C ATOM 1093 SD MET A 75 0.880 10.942 4.996 1.00 0.00 S ATOM 1094 CE MET A 75 1.354 10.682 3.288 1.00 0.00 C ATOM 0 H MET A 75 -3.324 11.782 3.083 1.00 0.00 H new ATOM 0 HA MET A 75 -1.187 9.833 2.798 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.770 10.938 5.148 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.542 9.700 5.322 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.806 12.227 3.882 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.995 12.293 5.623 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.372 10.295 3.248 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.675 9.965 2.827 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.304 11.628 2.749 1.00 0.00 H new ATOM 1104 N GLN A 76 -4.023 8.775 2.495 1.00 0.00 N ATOM 1105 CA GLN A 76 -4.918 7.626 2.435 1.00 0.00 C ATOM 1106 C GLN A 76 -5.687 7.603 1.118 1.00 0.00 C ATOM 1107 O GLN A 76 -5.988 8.650 0.545 1.00 0.00 O ATOM 1108 CB GLN A 76 -5.897 7.654 3.610 1.00 0.00 C ATOM 1109 CG GLN A 76 -7.008 8.679 3.453 1.00 0.00 C ATOM 1110 CD GLN A 76 -6.554 10.087 3.781 1.00 0.00 C ATOM 1111 OE1 GLN A 76 -5.575 10.284 4.502 1.00 0.00 O ATOM 1112 NE2 GLN A 76 -7.265 11.077 3.254 1.00 0.00 N ATOM 0 H GLN A 76 -4.263 9.531 1.854 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.312 6.722 2.497 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.340 6.665 3.726 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.346 7.866 4.526 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.381 8.651 2.429 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.840 8.409 4.103 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.069 10.868 2.662 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.007 12.046 3.441 1.00 0.00 H new ATOM 1121 N VAL A 77 -6.002 6.402 0.644 1.00 0.00 N ATOM 1122 CA VAL A 77 -6.737 6.242 -0.605 1.00 0.00 C ATOM 1123 C VAL A 77 -7.606 4.990 -0.576 1.00 0.00 C ATOM 1124 O VAL A 77 -7.453 4.134 0.297 1.00 0.00 O ATOM 1125 CB VAL A 77 -5.782 6.162 -1.812 1.00 0.00 C ATOM 1126 CG1 VAL A 77 -5.066 4.821 -1.838 1.00 0.00 C ATOM 1127 CG2 VAL A 77 -6.542 6.396 -3.108 1.00 0.00 C ATOM 0 H VAL A 77 -5.760 5.526 1.106 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.374 7.120 -0.711 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.031 6.945 -1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.396 4.783 -2.697 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.488 4.699 -0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.800 4.018 -1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.852 6.336 -3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.316 5.637 -3.218 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.003 7.383 -3.086 1.00 0.00 H new ATOM 1137 N THR A 78 -8.520 4.888 -1.535 1.00 0.00 N ATOM 1138 CA THR A 78 -9.415 3.741 -1.619 1.00 0.00 C ATOM 1139 C THR A 78 -9.217 2.983 -2.927 1.00 0.00 C ATOM 1140 O THR A 78 -9.091 3.587 -3.993 1.00 0.00 O ATOM 1141 CB THR A 78 -10.890 4.170 -1.507 1.00 0.00 C ATOM 1142 OG1 THR A 78 -11.078 4.977 -0.340 1.00 0.00 O ATOM 1143 CG2 THR A 78 -11.804 2.955 -1.442 1.00 0.00 C ATOM 0 H THR A 78 -8.660 5.586 -2.265 1.00 0.00 H new ATOM 0 HA THR A 78 -9.169 3.087 -0.782 1.00 0.00 H new ATOM 0 HB THR A 78 -11.145 4.750 -2.394 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.562 5.805 -0.428 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.840 3.283 -1.363 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.680 2.358 -2.345 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.547 2.353 -0.571 1.00 0.00 H new ATOM 1151 N ILE A 79 -9.190 1.657 -2.839 1.00 0.00 N ATOM 1152 CA ILE A 79 -9.008 0.818 -4.017 1.00 0.00 C ATOM 1153 C ILE A 79 -10.260 -0.005 -4.304 1.00 0.00 C ATOM 1154 O ILE A 79 -10.448 -1.083 -3.742 1.00 0.00 O ATOM 1155 CB ILE A 79 -7.809 -0.135 -3.849 1.00 0.00 C ATOM 1156 CG1 ILE A 79 -6.575 0.641 -3.385 1.00 0.00 C ATOM 1157 CG2 ILE A 79 -7.524 -0.862 -5.155 1.00 0.00 C ATOM 1158 CD1 ILE A 79 -6.144 1.724 -4.349 1.00 0.00 C ATOM 0 H ILE A 79 -9.292 1.141 -1.965 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.816 1.488 -4.855 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.056 -0.876 -3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.783 1.092 -2.415 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.750 -0.057 -3.242 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.674 -1.532 -5.021 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.400 -1.441 -5.448 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.293 -0.135 -5.933 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.264 2.232 -3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.904 1.278 -5.314 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.953 2.444 -4.473 1.00 0.00 H new ATOM 1170 N GLN A 80 -11.111 0.512 -5.184 1.00 0.00 N ATOM 1171 CA GLN A 80 -12.345 -0.175 -5.547 1.00 0.00 C ATOM 1172 C GLN A 80 -12.109 -1.143 -6.701 1.00 0.00 C ATOM 1173 O GLN A 80 -11.002 -1.236 -7.230 1.00 0.00 O ATOM 1174 CB GLN A 80 -13.425 0.838 -5.928 1.00 0.00 C ATOM 1175 CG GLN A 80 -13.678 1.889 -4.858 1.00 0.00 C ATOM 1176 CD GLN A 80 -14.589 3.002 -5.338 1.00 0.00 C ATOM 1177 OE1 GLN A 80 -14.883 3.110 -6.529 1.00 0.00 O ATOM 1178 NE2 GLN A 80 -15.041 3.838 -4.410 1.00 0.00 N ATOM 0 H GLN A 80 -10.969 1.404 -5.659 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.682 -0.745 -4.681 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -13.134 1.336 -6.853 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.355 0.306 -6.131 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -14.122 1.413 -3.984 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -12.726 2.315 -4.540 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -14.772 3.711 -3.434 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -15.657 4.607 -4.673 1.00 0.00 H new ATOM 1187 N ASN A 81 -13.158 -1.863 -7.087 1.00 0.00 N ATOM 1188 CA ASN A 81 -13.065 -2.825 -8.179 1.00 0.00 C ATOM 1189 C ASN A 81 -12.212 -4.024 -7.776 1.00 0.00 C ATOM 1190 O ASN A 81 -11.345 -4.466 -8.531 1.00 0.00 O ATOM 1191 CB ASN A 81 -12.473 -2.160 -9.424 1.00 0.00 C ATOM 1192 CG ASN A 81 -13.037 -0.773 -9.662 1.00 0.00 C ATOM 1193 OD1 ASN A 81 -12.324 0.226 -9.561 1.00 0.00 O ATOM 1194 ND2 ASN A 81 -14.325 -0.705 -9.979 1.00 0.00 N ATOM 0 H ASN A 81 -14.082 -1.798 -6.660 1.00 0.00 H new ATOM 0 HA ASN A 81 -14.071 -3.177 -8.407 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.390 -2.096 -9.318 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -12.671 -2.784 -10.295 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -14.761 0.201 -10.150 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -14.878 -1.559 -10.052 1.00 0.00 H new ATOM 1201 N LEU A 82 -12.466 -4.548 -6.582 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.722 -5.698 -6.077 1.00 0.00 C ATOM 1203 C LEU A 82 -12.653 -6.879 -5.824 1.00 0.00 C ATOM 1204 O LEU A 82 -13.871 -6.718 -5.751 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.986 -5.328 -4.788 1.00 0.00 C ATOM 1206 CG LEU A 82 -10.002 -4.163 -4.888 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -9.308 -3.934 -3.554 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -8.980 -4.420 -5.986 1.00 0.00 C ATOM 0 H LEU A 82 -13.181 -4.196 -5.945 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.993 -5.989 -6.833 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.728 -5.087 -4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.444 -6.206 -4.438 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.560 -3.262 -5.143 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.611 -3.101 -3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.052 -3.703 -2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.763 -4.834 -3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.288 -3.580 -6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.427 -5.332 -5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.493 -4.532 -6.941 1.00 0.00 H new ATOM 1220 N MET A 83 -12.071 -8.066 -5.690 1.00 0.00 N ATOM 1221 CA MET A 83 -12.848 -9.275 -5.441 1.00 0.00 C ATOM 1222 C MET A 83 -12.812 -9.650 -3.963 1.00 0.00 C ATOM 1223 O MET A 83 -11.770 -9.597 -3.310 1.00 0.00 O ATOM 1224 CB MET A 83 -12.315 -10.433 -6.286 1.00 0.00 C ATOM 1225 CG MET A 83 -13.079 -11.732 -6.088 1.00 0.00 C ATOM 1226 SD MET A 83 -14.457 -11.910 -7.238 1.00 0.00 S ATOM 1227 CE MET A 83 -13.582 -12.239 -8.766 1.00 0.00 C ATOM 0 H MET A 83 -11.064 -8.217 -5.750 1.00 0.00 H new ATOM 0 HA MET A 83 -13.882 -9.076 -5.722 1.00 0.00 H new ATOM 0 HB2 MET A 83 -12.357 -10.153 -7.339 1.00 0.00 H new ATOM 0 HB3 MET A 83 -11.266 -10.597 -6.042 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.397 -12.573 -6.212 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.456 -11.775 -5.066 1.00 0.00 H new ATOM 0 HE1 MET A 83 -14.258 -12.713 -9.477 1.00 0.00 H new ATOM 0 HE2 MET A 83 -13.215 -11.302 -9.184 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.740 -12.902 -8.568 1.00 0.00 H new ATOM 1237 N PRO A 84 -13.976 -10.037 -3.421 1.00 0.00 N ATOM 1238 CA PRO A 84 -14.103 -10.429 -2.014 1.00 0.00 C ATOM 1239 C PRO A 84 -13.411 -11.754 -1.716 1.00 0.00 C ATOM 1240 O PRO A 84 -13.361 -12.644 -2.566 1.00 0.00 O ATOM 1241 CB PRO A 84 -15.616 -10.559 -1.817 1.00 0.00 C ATOM 1242 CG PRO A 84 -16.150 -10.855 -3.176 1.00 0.00 C ATOM 1243 CD PRO A 84 -15.258 -10.124 -4.140 1.00 0.00 C ATOM 0 HA PRO A 84 -13.633 -9.707 -1.346 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.857 -11.357 -1.114 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.043 -9.640 -1.415 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.142 -11.927 -3.373 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -17.183 -10.521 -3.270 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.155 -10.665 -5.081 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.651 -9.136 -4.381 1.00 0.00 H new ATOM 1251 N ALA A 85 -12.879 -11.880 -0.505 1.00 0.00 N ATOM 1252 CA ALA A 85 -12.192 -13.098 -0.095 1.00 0.00 C ATOM 1253 C ALA A 85 -10.988 -13.376 -0.988 1.00 0.00 C ATOM 1254 O ALA A 85 -10.705 -14.526 -1.327 1.00 0.00 O ATOM 1255 CB ALA A 85 -13.152 -14.279 -0.118 1.00 0.00 C ATOM 0 H ALA A 85 -12.911 -11.153 0.210 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.831 -12.957 0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.625 -15.182 0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -13.979 -14.089 0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.540 -14.413 -1.128 1.00 0.00 H new ATOM 1261 N THR A 86 -10.280 -12.317 -1.367 1.00 0.00 N ATOM 1262 CA THR A 86 -9.107 -12.446 -2.222 1.00 0.00 C ATOM 1263 C THR A 86 -7.981 -11.532 -1.753 1.00 0.00 C ATOM 1264 O THR A 86 -8.170 -10.325 -1.603 1.00 0.00 O ATOM 1265 CB THR A 86 -9.443 -12.119 -3.689 1.00 0.00 C ATOM 1266 OG1 THR A 86 -10.497 -12.969 -4.152 1.00 0.00 O ATOM 1267 CG2 THR A 86 -8.219 -12.292 -4.576 1.00 0.00 C ATOM 0 H THR A 86 -10.499 -11.359 -1.095 1.00 0.00 H new ATOM 0 HA THR A 86 -8.779 -13.483 -2.155 1.00 0.00 H new ATOM 0 HB THR A 86 -9.766 -11.079 -3.741 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.319 -12.771 -3.656 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.481 -12.056 -5.607 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.428 -11.622 -4.239 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.870 -13.323 -4.518 1.00 0.00 H new ATOM 1275 N VAL A 87 -6.809 -12.114 -1.524 1.00 0.00 N ATOM 1276 CA VAL A 87 -5.651 -11.351 -1.074 1.00 0.00 C ATOM 1277 C VAL A 87 -5.133 -10.436 -2.178 1.00 0.00 C ATOM 1278 O VAL A 87 -5.231 -10.758 -3.363 1.00 0.00 O ATOM 1279 CB VAL A 87 -4.511 -12.279 -0.614 1.00 0.00 C ATOM 1280 CG1 VAL A 87 -3.295 -11.465 -0.196 1.00 0.00 C ATOM 1281 CG2 VAL A 87 -4.979 -13.175 0.522 1.00 0.00 C ATOM 0 H VAL A 87 -6.636 -13.112 -1.643 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.980 -10.746 -0.229 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.223 -12.914 -1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.500 -12.138 0.126 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.947 -10.870 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.566 -10.803 0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.161 -13.824 0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.296 -12.560 1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.817 -13.785 0.183 1.00 0.00 H new ATOM 1291 N TYR A 88 -4.581 -9.295 -1.783 1.00 0.00 N ATOM 1292 CA TYR A 88 -4.048 -8.331 -2.739 1.00 0.00 C ATOM 1293 C TYR A 88 -2.848 -7.591 -2.156 1.00 0.00 C ATOM 1294 O TYR A 88 -2.917 -7.047 -1.053 1.00 0.00 O ATOM 1295 CB TYR A 88 -5.132 -7.331 -3.144 1.00 0.00 C ATOM 1296 CG TYR A 88 -6.102 -7.871 -4.171 1.00 0.00 C ATOM 1297 CD1 TYR A 88 -5.724 -8.026 -5.499 1.00 0.00 C ATOM 1298 CD2 TYR A 88 -7.396 -8.228 -3.811 1.00 0.00 C ATOM 1299 CE1 TYR A 88 -6.608 -8.518 -6.440 1.00 0.00 C ATOM 1300 CE2 TYR A 88 -8.285 -8.723 -4.745 1.00 0.00 C ATOM 1301 CZ TYR A 88 -7.887 -8.866 -6.058 1.00 0.00 C ATOM 1302 OH TYR A 88 -8.769 -9.358 -6.992 1.00 0.00 O ATOM 0 H TYR A 88 -4.491 -9.014 -0.807 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.719 -8.878 -3.623 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.687 -7.030 -2.255 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.657 -6.434 -3.542 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.722 -7.757 -5.801 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.712 -8.117 -2.784 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.299 -8.630 -7.469 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.287 -8.997 -4.449 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.174 -10.185 -6.656 1.00 0.00 H new ATOM 1312 N ILE A 89 -1.751 -7.574 -2.905 1.00 0.00 N ATOM 1313 CA ILE A 89 -0.537 -6.899 -2.464 1.00 0.00 C ATOM 1314 C ILE A 89 -0.539 -5.433 -2.884 1.00 0.00 C ATOM 1315 O ILE A 89 -0.357 -5.112 -4.059 1.00 0.00 O ATOM 1316 CB ILE A 89 0.723 -7.581 -3.029 1.00 0.00 C ATOM 1317 CG1 ILE A 89 0.572 -9.103 -2.979 1.00 0.00 C ATOM 1318 CG2 ILE A 89 1.957 -7.140 -2.254 1.00 0.00 C ATOM 1319 CD1 ILE A 89 -0.023 -9.608 -1.683 1.00 0.00 C ATOM 0 H ILE A 89 -1.678 -8.020 -3.820 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.518 -6.963 -1.376 1.00 0.00 H new ATOM 0 HB ILE A 89 0.845 -7.281 -4.070 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.058 -9.425 -3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.550 -9.562 -3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.839 -7.630 -2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.071 -6.059 -2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.845 -7.414 -1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.101 -10.695 -1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.617 -9.316 -0.851 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.015 -9.177 -1.546 1.00 0.00 H new ATOM 1331 N PHE A 90 -0.745 -4.546 -1.916 1.00 0.00 N ATOM 1332 CA PHE A 90 -0.770 -3.113 -2.185 1.00 0.00 C ATOM 1333 C PHE A 90 0.605 -2.492 -1.955 1.00 0.00 C ATOM 1334 O PHE A 90 1.288 -2.815 -0.983 1.00 0.00 O ATOM 1335 CB PHE A 90 -1.808 -2.424 -1.297 1.00 0.00 C ATOM 1336 CG PHE A 90 -3.218 -2.864 -1.570 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -3.752 -3.967 -0.922 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -4.009 -2.176 -2.475 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -5.049 -4.374 -1.172 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -5.307 -2.579 -2.728 1.00 0.00 C ATOM 1341 CZ PHE A 90 -5.827 -3.680 -2.077 1.00 0.00 C ATOM 0 H PHE A 90 -0.897 -4.794 -0.938 1.00 0.00 H new ATOM 0 HA PHE A 90 -1.044 -2.970 -3.230 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -1.570 -2.623 -0.252 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.738 -1.346 -1.440 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.148 -4.514 -0.214 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.607 -1.315 -2.989 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.454 -5.234 -0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.914 -2.033 -3.435 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.840 -3.998 -2.275 1.00 0.00 H new ATOM 1351 N ARG A 91 1.003 -1.600 -2.856 1.00 0.00 N ATOM 1352 CA ARG A 91 2.296 -0.935 -2.753 1.00 0.00 C ATOM 1353 C ARG A 91 2.143 0.576 -2.894 1.00 0.00 C ATOM 1354 O ARG A 91 1.650 1.069 -3.909 1.00 0.00 O ATOM 1355 CB ARG A 91 3.252 -1.464 -3.824 1.00 0.00 C ATOM 1356 CG ARG A 91 3.843 -2.825 -3.495 1.00 0.00 C ATOM 1357 CD ARG A 91 5.099 -2.696 -2.646 1.00 0.00 C ATOM 1358 NE ARG A 91 6.301 -2.560 -3.464 1.00 0.00 N ATOM 1359 CZ ARG A 91 6.740 -3.504 -4.288 1.00 0.00 C ATOM 1360 NH1 ARG A 91 6.079 -4.648 -4.404 1.00 0.00 N ATOM 1361 NH2 ARG A 91 7.842 -3.306 -4.999 1.00 0.00 N ATOM 0 H ARG A 91 0.449 -1.321 -3.665 1.00 0.00 H new ATOM 0 HA ARG A 91 2.710 -1.150 -1.768 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.721 -1.528 -4.774 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.063 -0.749 -3.960 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.104 -3.425 -2.965 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.079 -3.353 -4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.006 -1.830 -1.991 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.194 -3.572 -2.004 1.00 0.00 H new ATOM 0 HE ARG A 91 6.833 -1.692 -3.399 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.231 -4.804 -3.859 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.419 -5.371 -5.038 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.353 -2.428 -4.913 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.178 -4.032 -5.632 1.00 0.00 H new ATOM 1375 N VAL A 92 2.569 1.307 -1.869 1.00 0.00 N ATOM 1376 CA VAL A 92 2.480 2.762 -1.878 1.00 0.00 C ATOM 1377 C VAL A 92 3.810 3.392 -2.276 1.00 0.00 C ATOM 1378 O VAL A 92 4.877 2.879 -1.938 1.00 0.00 O ATOM 1379 CB VAL A 92 2.058 3.308 -0.501 1.00 0.00 C ATOM 1380 CG1 VAL A 92 1.479 4.708 -0.635 1.00 0.00 C ATOM 1381 CG2 VAL A 92 1.059 2.370 0.160 1.00 0.00 C ATOM 0 H VAL A 92 2.979 0.915 -1.021 1.00 0.00 H new ATOM 0 HA VAL A 92 1.721 3.027 -2.614 1.00 0.00 H new ATOM 0 HB VAL A 92 2.942 3.367 0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.187 5.077 0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.229 5.373 -1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.605 4.680 -1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.772 2.771 1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.175 2.278 -0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.514 1.389 0.293 1.00 0.00 H new ATOM 1391 N MET A 93 3.739 4.506 -2.997 1.00 0.00 N ATOM 1392 CA MET A 93 4.939 5.207 -3.440 1.00 0.00 C ATOM 1393 C MET A 93 4.669 6.700 -3.599 1.00 0.00 C ATOM 1394 O MET A 93 3.586 7.102 -4.024 1.00 0.00 O ATOM 1395 CB MET A 93 5.437 4.623 -4.763 1.00 0.00 C ATOM 1396 CG MET A 93 6.692 5.299 -5.292 1.00 0.00 C ATOM 1397 SD MET A 93 7.601 4.264 -6.454 1.00 0.00 S ATOM 1398 CE MET A 93 6.302 3.825 -7.606 1.00 0.00 C ATOM 0 H MET A 93 2.864 4.943 -3.287 1.00 0.00 H new ATOM 0 HA MET A 93 5.709 5.074 -2.680 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.636 3.560 -4.629 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.647 4.708 -5.509 1.00 0.00 H new ATOM 0 HG2 MET A 93 6.418 6.233 -5.781 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.342 5.556 -4.455 1.00 0.00 H new ATOM 0 HE1 MET A 93 6.715 3.759 -8.612 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.876 2.862 -7.325 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.523 4.587 -7.583 1.00 0.00 H new ATOM 1408 N ALA A 94 5.659 7.516 -3.256 1.00 0.00 N ATOM 1409 CA ALA A 94 5.528 8.964 -3.362 1.00 0.00 C ATOM 1410 C ALA A 94 6.060 9.466 -4.701 1.00 0.00 C ATOM 1411 O ALA A 94 6.922 8.836 -5.312 1.00 0.00 O ATOM 1412 CB ALA A 94 6.257 9.646 -2.214 1.00 0.00 C ATOM 0 H ALA A 94 6.562 7.199 -2.902 1.00 0.00 H new ATOM 0 HA ALA A 94 4.468 9.213 -3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.151 10.727 -2.306 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.830 9.319 -1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.314 9.382 -2.246 1.00 0.00 H new ATOM 1418 N GLN A 95 5.538 10.603 -5.150 1.00 0.00 N ATOM 1419 CA GLN A 95 5.960 11.188 -6.418 1.00 0.00 C ATOM 1420 C GLN A 95 5.995 12.710 -6.330 1.00 0.00 C ATOM 1421 O GLN A 95 5.022 13.340 -5.917 1.00 0.00 O ATOM 1422 CB GLN A 95 5.020 10.751 -7.543 1.00 0.00 C ATOM 1423 CG GLN A 95 5.475 9.491 -8.261 1.00 0.00 C ATOM 1424 CD GLN A 95 4.315 8.668 -8.786 1.00 0.00 C ATOM 1425 OE1 GLN A 95 3.327 9.212 -9.281 1.00 0.00 O ATOM 1426 NE2 GLN A 95 4.429 7.349 -8.682 1.00 0.00 N ATOM 0 H GLN A 95 4.823 11.137 -4.656 1.00 0.00 H new ATOM 0 HA GLN A 95 6.967 10.832 -6.637 1.00 0.00 H new ATOM 0 HB2 GLN A 95 4.025 10.585 -7.130 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.933 11.561 -8.268 1.00 0.00 H new ATOM 0 HG2 GLN A 95 6.126 9.765 -9.091 1.00 0.00 H new ATOM 0 HG3 GLN A 95 6.068 8.882 -7.578 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.265 6.941 -8.265 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.680 6.744 -9.019 1.00 0.00 H new ATOM 1435 N ASN A 96 7.123 13.294 -6.720 1.00 0.00 N ATOM 1436 CA ASN A 96 7.285 14.743 -6.685 1.00 0.00 C ATOM 1437 C ASN A 96 7.621 15.287 -8.070 1.00 0.00 C ATOM 1438 O ASN A 96 7.625 14.549 -9.055 1.00 0.00 O ATOM 1439 CB ASN A 96 8.384 15.130 -5.692 1.00 0.00 C ATOM 1440 CG ASN A 96 9.767 14.754 -6.186 1.00 0.00 C ATOM 1441 OD1 ASN A 96 10.584 15.620 -6.498 1.00 0.00 O ATOM 1442 ND2 ASN A 96 10.036 13.455 -6.259 1.00 0.00 N ATOM 0 H ASN A 96 7.938 12.787 -7.064 1.00 0.00 H new ATOM 0 HA ASN A 96 6.341 15.181 -6.362 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.345 16.204 -5.512 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.196 14.639 -4.737 1.00 0.00 H new ATOM 0 HD21 ASN A 96 10.950 13.141 -6.584 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.328 12.772 -5.990 1.00 0.00 H new ATOM 1449 N LYS A 97 7.903 16.584 -8.138 1.00 0.00 N ATOM 1450 CA LYS A 97 8.242 17.229 -9.401 1.00 0.00 C ATOM 1451 C LYS A 97 9.243 16.389 -10.189 1.00 0.00 C ATOM 1452 O LYS A 97 9.366 16.532 -11.406 1.00 0.00 O ATOM 1453 CB LYS A 97 8.819 18.623 -9.147 1.00 0.00 C ATOM 1454 CG LYS A 97 10.101 18.611 -8.332 1.00 0.00 C ATOM 1455 CD LYS A 97 10.276 19.901 -7.548 1.00 0.00 C ATOM 1456 CE LYS A 97 10.952 20.975 -8.387 1.00 0.00 C ATOM 1457 NZ LYS A 97 10.040 21.523 -9.428 1.00 0.00 N ATOM 0 H LYS A 97 7.903 17.209 -7.332 1.00 0.00 H new ATOM 0 HA LYS A 97 7.329 17.322 -9.989 1.00 0.00 H new ATOM 0 HB2 LYS A 97 9.011 19.107 -10.104 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.074 19.227 -8.628 1.00 0.00 H new ATOM 0 HG2 LYS A 97 10.088 17.765 -7.644 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.954 18.469 -8.996 1.00 0.00 H new ATOM 0 HD2 LYS A 97 9.303 20.259 -7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.870 19.708 -6.655 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.290 21.783 -7.738 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.839 20.558 -8.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.301 22.509 -9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.122 20.955 -10.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.059 21.489 -9.083 1.00 0.00 H new ATOM 1471 N HIS A 98 9.954 15.512 -9.488 1.00 0.00 N ATOM 1472 CA HIS A 98 10.942 14.647 -10.123 1.00 0.00 C ATOM 1473 C HIS A 98 10.270 13.444 -10.779 1.00 0.00 C ATOM 1474 O HIS A 98 10.251 13.323 -12.003 1.00 0.00 O ATOM 1475 CB HIS A 98 11.972 14.174 -9.096 1.00 0.00 C ATOM 1476 CG HIS A 98 12.659 15.293 -8.377 1.00 0.00 C ATOM 1477 ND1 HIS A 98 13.004 16.481 -8.988 1.00 0.00 N ATOM 1478 CD2 HIS A 98 13.066 15.402 -7.091 1.00 0.00 C ATOM 1479 CE1 HIS A 98 13.593 17.271 -8.109 1.00 0.00 C ATOM 1480 NE2 HIS A 98 13.643 16.640 -6.950 1.00 0.00 N ATOM 0 H HIS A 98 9.865 15.381 -8.480 1.00 0.00 H new ATOM 0 HA HIS A 98 11.450 15.223 -10.896 1.00 0.00 H new ATOM 0 HB2 HIS A 98 11.477 13.534 -8.366 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.721 13.563 -9.600 1.00 0.00 H new ATOM 0 HD2 HIS A 98 12.957 14.654 -6.319 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.970 18.264 -8.305 1.00 0.00 H new ATOM 0 HE2 HIS A 98 14.045 17.012 -6.090 1.00 0.00 H new ATOM 1489 N GLY A 99 9.721 12.557 -9.955 1.00 0.00 N ATOM 1490 CA GLY A 99 9.057 11.375 -10.474 1.00 0.00 C ATOM 1491 C GLY A 99 8.759 10.356 -9.392 1.00 0.00 C ATOM 1492 O GLY A 99 8.426 10.718 -8.263 1.00 0.00 O ATOM 0 H GLY A 99 9.724 12.635 -8.938 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.126 11.668 -10.959 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.684 10.916 -11.239 1.00 0.00 H new ATOM 1496 N SER A 100 8.876 9.078 -9.737 1.00 0.00 N ATOM 1497 CA SER A 100 8.612 8.003 -8.788 1.00 0.00 C ATOM 1498 C SER A 100 9.893 7.576 -8.079 1.00 0.00 C ATOM 1499 O SER A 100 10.837 7.103 -8.711 1.00 0.00 O ATOM 1500 CB SER A 100 7.988 6.803 -9.505 1.00 0.00 C ATOM 1501 OG SER A 100 8.892 6.243 -10.442 1.00 0.00 O ATOM 0 H SER A 100 9.152 8.762 -10.667 1.00 0.00 H new ATOM 0 HA SER A 100 7.912 8.376 -8.041 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.702 6.047 -8.774 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.076 7.114 -10.015 1.00 0.00 H new ATOM 0 HG SER A 100 9.812 6.443 -10.169 1.00 0.00 H new ATOM 1507 N GLY A 101 9.918 7.747 -6.761 1.00 0.00 N ATOM 1508 CA GLY A 101 11.088 7.376 -5.986 1.00 0.00 C ATOM 1509 C GLY A 101 11.142 5.889 -5.694 1.00 0.00 C ATOM 1510 O GLY A 101 11.254 5.074 -6.609 1.00 0.00 O ATOM 0 H GLY A 101 9.149 8.136 -6.216 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.987 7.670 -6.528 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.088 7.928 -5.046 1.00 0.00 H new ATOM 1514 N GLU A 102 11.063 5.536 -4.415 1.00 0.00 N ATOM 1515 CA GLU A 102 11.105 4.137 -4.005 1.00 0.00 C ATOM 1516 C GLU A 102 9.702 3.612 -3.716 1.00 0.00 C ATOM 1517 O GLU A 102 8.845 4.342 -3.218 1.00 0.00 O ATOM 1518 CB GLU A 102 11.989 3.972 -2.767 1.00 0.00 C ATOM 1519 CG GLU A 102 12.088 2.537 -2.277 1.00 0.00 C ATOM 1520 CD GLU A 102 12.778 1.627 -3.274 1.00 0.00 C ATOM 1521 OE1 GLU A 102 12.305 1.544 -4.427 1.00 0.00 O ATOM 1522 OE2 GLU A 102 13.789 0.996 -2.902 1.00 0.00 O ATOM 0 H GLU A 102 10.970 6.199 -3.645 1.00 0.00 H new ATOM 0 HA GLU A 102 11.529 3.557 -4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 102 12.990 4.339 -2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 102 11.595 4.595 -1.964 1.00 0.00 H new ATOM 0 HG2 GLU A 102 12.633 2.516 -1.333 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.087 2.156 -2.075 1.00 0.00 H new ATOM 1529 N SER A 103 9.475 2.341 -4.032 1.00 0.00 N ATOM 1530 CA SER A 103 8.176 1.718 -3.810 1.00 0.00 C ATOM 1531 C SER A 103 8.101 1.097 -2.419 1.00 0.00 C ATOM 1532 O SER A 103 8.874 0.198 -2.086 1.00 0.00 O ATOM 1533 CB SER A 103 7.910 0.650 -4.873 1.00 0.00 C ATOM 1534 OG SER A 103 9.106 -0.021 -5.231 1.00 0.00 O ATOM 0 H SER A 103 10.174 1.723 -4.443 1.00 0.00 H new ATOM 0 HA SER A 103 7.413 2.492 -3.884 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.184 -0.070 -4.496 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.470 1.113 -5.756 1.00 0.00 H new ATOM 0 HG SER A 103 8.910 -0.700 -5.910 1.00 0.00 H new ATOM 1540 N SER A 104 7.165 1.583 -1.610 1.00 0.00 N ATOM 1541 CA SER A 104 6.991 1.079 -0.253 1.00 0.00 C ATOM 1542 C SER A 104 6.945 -0.446 -0.241 1.00 0.00 C ATOM 1543 O SER A 104 6.996 -1.087 -1.290 1.00 0.00 O ATOM 1544 CB SER A 104 5.709 1.644 0.363 1.00 0.00 C ATOM 1545 OG SER A 104 4.561 1.042 -0.208 1.00 0.00 O ATOM 0 H SER A 104 6.516 2.325 -1.871 1.00 0.00 H new ATOM 0 HA SER A 104 7.845 1.404 0.341 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.714 1.476 1.440 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.673 2.722 0.209 1.00 0.00 H new ATOM 0 HG SER A 104 3.944 0.774 0.504 1.00 0.00 H new ATOM 1551 N ALA A 105 6.848 -1.020 0.954 1.00 0.00 N ATOM 1552 CA ALA A 105 6.793 -2.468 1.103 1.00 0.00 C ATOM 1553 C ALA A 105 5.427 -3.011 0.699 1.00 0.00 C ATOM 1554 O ALA A 105 4.397 -2.358 0.871 1.00 0.00 O ATOM 1555 CB ALA A 105 7.117 -2.864 2.537 1.00 0.00 C ATOM 0 H ALA A 105 6.806 -0.504 1.833 1.00 0.00 H new ATOM 0 HA ALA A 105 7.539 -2.905 0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.072 -3.949 2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.118 -2.518 2.793 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.393 -2.409 3.213 1.00 0.00 H new ATOM 1561 N PRO A 106 5.414 -4.233 0.146 1.00 0.00 N ATOM 1562 CA PRO A 106 4.180 -4.890 -0.294 1.00 0.00 C ATOM 1563 C PRO A 106 3.292 -5.302 0.875 1.00 0.00 C ATOM 1564 O PRO A 106 3.618 -6.229 1.618 1.00 0.00 O ATOM 1565 CB PRO A 106 4.683 -6.125 -1.045 1.00 0.00 C ATOM 1566 CG PRO A 106 6.022 -6.406 -0.455 1.00 0.00 C ATOM 1567 CD PRO A 106 6.603 -5.068 -0.089 1.00 0.00 C ATOM 0 HA PRO A 106 3.561 -4.228 -0.900 1.00 0.00 H new ATOM 0 HB2 PRO A 106 4.007 -6.970 -0.915 1.00 0.00 H new ATOM 0 HB3 PRO A 106 4.754 -5.936 -2.116 1.00 0.00 H new ATOM 0 HG2 PRO A 106 5.935 -7.047 0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.661 -6.927 -1.168 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.231 -5.132 0.800 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.224 -4.667 -0.890 1.00 0.00 H new ATOM 1575 N LEU A 107 2.170 -4.608 1.034 1.00 0.00 N ATOM 1576 CA LEU A 107 1.235 -4.903 2.114 1.00 0.00 C ATOM 1577 C LEU A 107 0.257 -5.999 1.704 1.00 0.00 C ATOM 1578 O LEU A 107 -0.479 -5.855 0.727 1.00 0.00 O ATOM 1579 CB LEU A 107 0.467 -3.640 2.508 1.00 0.00 C ATOM 1580 CG LEU A 107 -0.659 -3.830 3.525 1.00 0.00 C ATOM 1581 CD1 LEU A 107 -0.097 -4.268 4.868 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -1.464 -2.547 3.674 1.00 0.00 C ATOM 0 H LEU A 107 1.886 -3.838 0.429 1.00 0.00 H new ATOM 0 HA LEU A 107 1.808 -5.256 2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.177 -2.918 2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.044 -3.200 1.605 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.324 -4.613 3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.913 -4.398 5.579 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.435 -5.212 4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.591 -3.508 5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.261 -2.700 4.401 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.810 -1.745 4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -1.898 -2.276 2.712 1.00 0.00 H new ATOM 1594 N ARG A 108 0.254 -7.094 2.457 1.00 0.00 N ATOM 1595 CA ARG A 108 -0.634 -8.215 2.172 1.00 0.00 C ATOM 1596 C ARG A 108 -1.993 -8.013 2.835 1.00 0.00 C ATOM 1597 O ARG A 108 -2.127 -8.142 4.052 1.00 0.00 O ATOM 1598 CB ARG A 108 -0.008 -9.525 2.655 1.00 0.00 C ATOM 1599 CG ARG A 108 -0.756 -10.764 2.192 1.00 0.00 C ATOM 1600 CD ARG A 108 -0.138 -12.032 2.759 1.00 0.00 C ATOM 1601 NE ARG A 108 -0.542 -12.266 4.143 1.00 0.00 N ATOM 1602 CZ ARG A 108 0.110 -13.074 4.972 1.00 0.00 C ATOM 1603 NH1 ARG A 108 1.191 -13.721 4.560 1.00 0.00 N ATOM 1604 NH2 ARG A 108 -0.319 -13.235 6.218 1.00 0.00 N ATOM 0 H ARG A 108 0.856 -7.229 3.269 1.00 0.00 H new ATOM 0 HA ARG A 108 -0.779 -8.266 1.093 1.00 0.00 H new ATOM 0 HB2 ARG A 108 1.021 -9.579 2.300 1.00 0.00 H new ATOM 0 HB3 ARG A 108 0.030 -9.520 3.744 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -1.799 -10.697 2.501 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -0.748 -10.809 1.103 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -0.432 -12.884 2.146 1.00 0.00 H new ATOM 0 HD3 ARG A 108 0.948 -11.961 2.705 1.00 0.00 H new ATOM 0 HE ARG A 108 -1.370 -11.783 4.492 1.00 0.00 H new ATOM 0 HH11 ARG A 108 1.525 -13.599 3.604 1.00 0.00 H new ATOM 0 HH12 ARG A 108 1.689 -14.341 5.199 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -1.150 -12.738 6.540 1.00 0.00 H new ATOM 0 HH22 ARG A 108 0.182 -13.856 6.854 1.00 0.00 H new ATOM 1618 N VAL A 109 -3.000 -7.696 2.026 1.00 0.00 N ATOM 1619 CA VAL A 109 -4.349 -7.477 2.534 1.00 0.00 C ATOM 1620 C VAL A 109 -5.319 -8.513 1.979 1.00 0.00 C ATOM 1621 O VAL A 109 -5.120 -9.042 0.886 1.00 0.00 O ATOM 1622 CB VAL A 109 -4.860 -6.068 2.179 1.00 0.00 C ATOM 1623 CG1 VAL A 109 -6.282 -5.873 2.685 1.00 0.00 C ATOM 1624 CG2 VAL A 109 -3.932 -5.006 2.749 1.00 0.00 C ATOM 0 H VAL A 109 -2.907 -7.585 1.016 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.299 -7.574 3.619 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.869 -5.966 1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.627 -4.872 2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.937 -6.613 2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -6.303 -5.994 3.768 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.308 -4.017 2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.889 -5.104 3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -2.933 -5.135 2.334 1.00 0.00 H new ATOM 1634 N GLU A 110 -6.371 -8.798 2.741 1.00 0.00 N ATOM 1635 CA GLU A 110 -7.374 -9.772 2.324 1.00 0.00 C ATOM 1636 C GLU A 110 -8.783 -9.238 2.561 1.00 0.00 C ATOM 1637 O GLU A 110 -9.134 -8.849 3.676 1.00 0.00 O ATOM 1638 CB GLU A 110 -7.182 -11.089 3.080 1.00 0.00 C ATOM 1639 CG GLU A 110 -8.057 -12.219 2.564 1.00 0.00 C ATOM 1640 CD GLU A 110 -7.972 -13.463 3.428 1.00 0.00 C ATOM 1641 OE1 GLU A 110 -6.841 -13.883 3.752 1.00 0.00 O ATOM 1642 OE2 GLU A 110 -9.035 -14.016 3.778 1.00 0.00 O ATOM 0 H GLU A 110 -6.551 -8.369 3.649 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.247 -9.952 1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.136 -11.389 3.010 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.397 -10.927 4.136 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.092 -11.881 2.521 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.760 -12.468 1.545 1.00 0.00 H new ATOM 1649 N THR A 111 -9.588 -9.220 1.503 1.00 0.00 N ATOM 1650 CA THR A 111 -10.959 -8.732 1.594 1.00 0.00 C ATOM 1651 C THR A 111 -11.833 -9.694 2.389 1.00 0.00 C ATOM 1652 O THR A 111 -11.376 -10.754 2.815 1.00 0.00 O ATOM 1653 CB THR A 111 -11.576 -8.529 0.197 1.00 0.00 C ATOM 1654 OG1 THR A 111 -11.273 -9.651 -0.640 1.00 0.00 O ATOM 1655 CG2 THR A 111 -11.053 -7.254 -0.446 1.00 0.00 C ATOM 0 H THR A 111 -9.314 -9.538 0.573 1.00 0.00 H new ATOM 0 HA THR A 111 -10.920 -7.772 2.109 1.00 0.00 H new ATOM 0 HB THR A 111 -12.657 -8.442 0.311 1.00 0.00 H new ATOM 0 HG1 THR A 111 -11.370 -9.393 -1.580 1.00 0.00 H new ATOM 0 HG21 THR A 111 -11.503 -7.132 -1.431 1.00 0.00 H new ATOM 0 HG22 THR A 111 -11.311 -6.399 0.179 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.969 -7.315 -0.547 1.00 0.00 H new ATOM 1663 N GLN A 112 -13.093 -9.317 2.585 1.00 0.00 N ATOM 1664 CA GLN A 112 -14.031 -10.149 3.329 1.00 0.00 C ATOM 1665 C GLN A 112 -15.017 -10.834 2.389 1.00 0.00 C ATOM 1666 O GLN A 112 -15.455 -10.266 1.388 1.00 0.00 O ATOM 1667 CB GLN A 112 -14.791 -9.304 4.355 1.00 0.00 C ATOM 1668 CG GLN A 112 -14.015 -8.088 4.835 1.00 0.00 C ATOM 1669 CD GLN A 112 -12.939 -8.443 5.842 1.00 0.00 C ATOM 1670 OE1 GLN A 112 -12.429 -9.564 5.854 1.00 0.00 O ATOM 1671 NE2 GLN A 112 -12.587 -7.488 6.695 1.00 0.00 N ATOM 0 H GLN A 112 -13.487 -8.442 2.239 1.00 0.00 H new ATOM 0 HA GLN A 112 -13.461 -10.918 3.850 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -15.732 -8.974 3.916 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -15.041 -9.927 5.213 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -13.557 -7.593 3.979 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -14.706 -7.374 5.284 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -13.036 -6.573 6.650 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -11.868 -7.669 7.395 1.00 0.00 H new ATOM 1680 N PRO A 113 -15.373 -12.086 2.714 1.00 0.00 N ATOM 1681 CA PRO A 113 -16.311 -12.876 1.911 1.00 0.00 C ATOM 1682 C PRO A 113 -17.737 -12.343 1.993 1.00 0.00 C ATOM 1683 O PRO A 113 -18.433 -12.559 2.985 1.00 0.00 O ATOM 1684 CB PRO A 113 -16.224 -14.271 2.535 1.00 0.00 C ATOM 1685 CG PRO A 113 -15.786 -14.032 3.938 1.00 0.00 C ATOM 1686 CD PRO A 113 -14.889 -12.825 3.892 1.00 0.00 C ATOM 0 HA PRO A 113 -16.060 -12.852 0.851 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.187 -14.780 2.502 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -15.513 -14.900 2.000 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.642 -13.857 4.590 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.255 -14.898 4.334 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -14.970 -12.229 4.801 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.841 -13.107 3.787 1.00 0.00 H new