USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 698 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 84 MET CE :methyl 158:sc= -1.69 (180deg=-2.4) USER MOD Set 1.2: A 86 CYS SG : rot 92:sc= -0.985 USER MOD Set 2.1: A 68 TYR OH : rot 165:sc= -1.09 USER MOD Set 2.2: A 72 GLN : amide:sc= -0.191 X(o=-1.3,f=-1.3) USER MOD Set 3.1: A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 61 ASN : amide:sc= -5.68 K(o=-5.7,f=-15!) USER MOD Set 4.1: A 50 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Set 4.2: A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.444 X(o=-0.44,f=-0.55) USER MOD Single : A 28 ASN : amide:sc= -0.0391 K(o=-0.039,f=-1.6!) USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.47 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN :FLIP amide:sc= -1.15 F(o=-2.6,f=-1.1) USER MOD Single : A 33 SER OG : rot -80:sc= -1.04 USER MOD Single : A 35 THR OG1 : rot 72:sc= 0.171 USER MOD Single : A 37 GLN : amide:sc= -0.0862 K(o=-0.086,f=-2.9!) USER MOD Single : A 39 LYS NZ :NH3+ -155:sc= -0.0543 (180deg=-0.55) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 CYS SG : rot 180:sc=-0.00614 USER MOD Single : A 66 GLN : amide:sc= -0.527 K(o=-0.53,f=-4.7!) USER MOD Single : A 67 CYS SG : rot 104:sc= 1.29 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.522 X(o=-0.52,f=-0.83) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00185 USER MOD Single : A 79 LYS NZ :NH3+ -156:sc= -0.0734 (180deg=-0.512) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -142:sc= -0.179 USER MOD Single : A 94 ASN : amide:sc= -3.26 K(o=-3.3,f=-13!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= -4.28! USER MOD Single : A 99 SER OG : rot -72:sc= 0.197 USER MOD Single : A 102 SER OG : rot 100:sc= 1.03 USER MOD Single : A 107 TYR OH : rot -175:sc= -0.0682 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -154:sc= -1.12 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 18 1.899 13.409 -0.221 1.00 0.00 N ATOM 215 CA PRO A 18 1.272 12.784 -1.389 1.00 0.00 C ATOM 216 C PRO A 18 0.036 11.971 -1.018 1.00 0.00 C ATOM 217 O PRO A 18 -0.234 11.736 0.160 1.00 0.00 O ATOM 218 CB PRO A 18 2.370 11.868 -1.934 1.00 0.00 C ATOM 219 CG PRO A 18 3.231 11.567 -0.756 1.00 0.00 C ATOM 220 CD PRO A 18 3.198 12.798 0.107 1.00 0.00 C ATOM 0 HA PRO A 18 0.920 13.525 -2.107 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.950 10.957 -2.361 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.938 12.358 -2.725 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.858 10.699 -0.212 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.250 11.335 -1.066 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.269 12.549 1.166 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.026 13.469 -0.119 1.00 0.00 H new ATOM 228 N ASP A 19 -0.711 11.544 -2.030 1.00 0.00 N ATOM 229 CA ASP A 19 -1.918 10.755 -1.810 1.00 0.00 C ATOM 230 C ASP A 19 -1.578 9.400 -1.199 1.00 0.00 C ATOM 231 O ASP A 19 -0.457 8.909 -1.338 1.00 0.00 O ATOM 232 CB ASP A 19 -2.672 10.560 -3.126 1.00 0.00 C ATOM 233 CG ASP A 19 -3.934 9.737 -2.954 1.00 0.00 C ATOM 234 OD1 ASP A 19 -4.593 9.876 -1.903 1.00 0.00 O ATOM 235 OD2 ASP A 19 -4.261 8.954 -3.870 1.00 0.00 O ATOM 0 H ASP A 19 -0.502 11.731 -3.011 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.555 11.298 -1.112 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.931 11.534 -3.541 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.018 10.070 -3.847 1.00 0.00 H new ATOM 240 N ILE A 20 -2.551 8.801 -0.522 1.00 0.00 N ATOM 241 CA ILE A 20 -2.354 7.502 0.111 1.00 0.00 C ATOM 242 C ILE A 20 -2.365 6.380 -0.922 1.00 0.00 C ATOM 243 O ILE A 20 -3.331 6.193 -1.662 1.00 0.00 O ATOM 244 CB ILE A 20 -3.438 7.221 1.168 1.00 0.00 C ATOM 245 CG1 ILE A 20 -3.325 8.218 2.323 1.00 0.00 C ATOM 246 CG2 ILE A 20 -3.320 5.793 1.680 1.00 0.00 C ATOM 247 CD1 ILE A 20 -4.543 8.243 3.221 1.00 0.00 C ATOM 0 H ILE A 20 -3.484 9.194 -0.397 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.380 7.534 0.600 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.417 7.340 0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.448 7.971 2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.163 9.216 1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.093 5.609 2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.444 5.097 0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.338 5.648 2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.393 8.972 4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.420 8.520 2.636 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.694 7.255 3.657 1.00 0.00 H new ATOM 259 N PRO A 21 -1.265 5.614 -0.975 1.00 0.00 N ATOM 260 CA PRO A 21 -1.123 4.496 -1.912 1.00 0.00 C ATOM 261 C PRO A 21 -2.040 3.328 -1.563 1.00 0.00 C ATOM 262 O PRO A 21 -2.158 2.946 -0.399 1.00 0.00 O ATOM 263 CB PRO A 21 0.344 4.088 -1.758 1.00 0.00 C ATOM 264 CG PRO A 21 0.719 4.531 -0.386 1.00 0.00 C ATOM 265 CD PRO A 21 -0.075 5.780 -0.123 1.00 0.00 C ATOM 0 HA PRO A 21 -1.396 4.779 -2.929 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.470 3.012 -1.875 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.969 4.565 -2.513 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.489 3.760 0.350 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.789 4.727 -0.318 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.344 5.871 0.929 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.486 6.676 -0.387 1.00 0.00 H new ATOM 273 N ASN A 22 -2.685 2.764 -2.579 1.00 0.00 N ATOM 274 CA ASN A 22 -3.592 1.639 -2.379 1.00 0.00 C ATOM 275 C ASN A 22 -2.884 0.492 -1.664 1.00 0.00 C ATOM 276 O ASN A 22 -1.657 0.391 -1.662 1.00 0.00 O ATOM 277 CB ASN A 22 -4.143 1.156 -3.722 1.00 0.00 C ATOM 278 CG ASN A 22 -3.144 1.324 -4.850 1.00 0.00 C ATOM 279 OD1 ASN A 22 -2.035 0.792 -4.797 1.00 0.00 O ATOM 280 ND2 ASN A 22 -3.534 2.068 -5.879 1.00 0.00 N ATOM 0 H ASN A 22 -2.597 3.067 -3.549 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.420 1.977 -1.756 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.422 0.105 -3.641 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.051 1.710 -3.959 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.905 2.217 -6.668 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.463 2.490 -5.880 1.00 0.00 H new ATOM 287 N PRO A 23 -3.676 -0.395 -1.042 1.00 0.00 N ATOM 288 CA PRO A 23 -3.148 -1.552 -0.313 1.00 0.00 C ATOM 289 C PRO A 23 -2.543 -2.597 -1.244 1.00 0.00 C ATOM 290 O PRO A 23 -3.036 -2.841 -2.346 1.00 0.00 O ATOM 291 CB PRO A 23 -4.381 -2.117 0.396 1.00 0.00 C ATOM 292 CG PRO A 23 -5.533 -1.675 -0.438 1.00 0.00 C ATOM 293 CD PRO A 23 -5.146 -0.336 -1.002 1.00 0.00 C ATOM 0 HA PRO A 23 -2.340 -1.273 0.364 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.335 -3.204 0.464 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.461 -1.737 1.415 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.735 -2.391 -1.235 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.441 -1.599 0.160 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.569 -0.180 -1.994 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.498 0.482 -0.374 1.00 0.00 H new ATOM 301 N PRO A 24 -1.450 -3.231 -0.794 1.00 0.00 N ATOM 302 CA PRO A 24 -0.755 -4.261 -1.572 1.00 0.00 C ATOM 303 C PRO A 24 -1.570 -5.545 -1.692 1.00 0.00 C ATOM 304 O PRO A 24 -2.386 -5.856 -0.824 1.00 0.00 O ATOM 305 CB PRO A 24 0.523 -4.512 -0.767 1.00 0.00 C ATOM 306 CG PRO A 24 0.174 -4.123 0.628 1.00 0.00 C ATOM 307 CD PRO A 24 -0.808 -2.991 0.509 1.00 0.00 C ATOM 0 HA PRO A 24 -0.573 -3.943 -2.598 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.827 -5.557 -0.822 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.354 -3.918 -1.148 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.262 -4.962 1.170 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.061 -3.813 1.180 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.534 -3.001 1.322 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.310 -2.022 0.539 1.00 0.00 H new ATOM 315 N ARG A 25 -1.342 -6.286 -2.771 1.00 0.00 N ATOM 316 CA ARG A 25 -2.056 -7.536 -3.004 1.00 0.00 C ATOM 317 C ARG A 25 -1.122 -8.732 -2.848 1.00 0.00 C ATOM 318 O ARG A 25 0.093 -8.572 -2.732 1.00 0.00 O ATOM 319 CB ARG A 25 -2.679 -7.540 -4.401 1.00 0.00 C ATOM 320 CG ARG A 25 -1.722 -7.095 -5.496 1.00 0.00 C ATOM 321 CD ARG A 25 -2.434 -6.945 -6.831 1.00 0.00 C ATOM 322 NE ARG A 25 -1.530 -6.493 -7.885 1.00 0.00 N ATOM 323 CZ ARG A 25 -0.705 -7.301 -8.542 1.00 0.00 C ATOM 324 NH1 ARG A 25 -0.671 -8.595 -8.255 1.00 0.00 N ATOM 325 NH2 ARG A 25 0.088 -6.815 -9.489 1.00 0.00 N ATOM 0 H ARG A 25 -0.669 -6.043 -3.498 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.849 -7.617 -2.260 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.035 -8.545 -4.628 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.550 -6.885 -4.403 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.265 -6.145 -5.217 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.915 -7.821 -5.592 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.875 -7.900 -7.116 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.254 -6.234 -6.727 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.532 -5.503 -8.130 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.279 -8.972 -7.528 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.037 -9.213 -8.761 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.064 -5.820 -9.713 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.721 -7.436 -9.993 1.00 0.00 H new ATOM 339 N ILE A 26 -1.698 -9.930 -2.846 1.00 0.00 N ATOM 340 CA ILE A 26 -0.918 -11.152 -2.705 1.00 0.00 C ATOM 341 C ILE A 26 -0.637 -11.785 -4.063 1.00 0.00 C ATOM 342 O ILE A 26 -1.555 -12.047 -4.839 1.00 0.00 O ATOM 343 CB ILE A 26 -1.637 -12.180 -1.811 1.00 0.00 C ATOM 344 CG1 ILE A 26 -1.379 -11.874 -0.335 1.00 0.00 C ATOM 345 CG2 ILE A 26 -1.181 -13.590 -2.153 1.00 0.00 C ATOM 346 CD1 ILE A 26 0.041 -12.159 0.102 1.00 0.00 C ATOM 0 H ILE A 26 -2.703 -10.079 -2.941 1.00 0.00 H new ATOM 0 HA ILE A 26 0.025 -10.871 -2.236 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.709 -12.112 -1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.605 -10.825 -0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.064 -12.463 0.275 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.698 -14.305 -1.513 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.412 -13.804 -3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.106 -13.673 -1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.151 -11.919 1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.266 -13.214 -0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.731 -11.550 -0.482 1.00 0.00 H new ATOM 358 N ALA A 27 0.639 -12.030 -4.344 1.00 0.00 N ATOM 359 CA ALA A 27 1.041 -12.636 -5.607 1.00 0.00 C ATOM 360 C ALA A 27 1.695 -13.995 -5.381 1.00 0.00 C ATOM 361 O ALA A 27 1.873 -14.772 -6.317 1.00 0.00 O ATOM 362 CB ALA A 27 1.987 -11.711 -6.359 1.00 0.00 C ATOM 0 H ALA A 27 1.412 -11.818 -3.713 1.00 0.00 H new ATOM 0 HA ALA A 27 0.145 -12.789 -6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.279 -12.176 -7.300 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.486 -10.765 -6.562 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.875 -11.528 -5.754 1.00 0.00 H new ATOM 368 N ASN A 28 2.052 -14.273 -4.131 1.00 0.00 N ATOM 369 CA ASN A 28 2.688 -15.539 -3.782 1.00 0.00 C ATOM 370 C ASN A 28 2.895 -15.646 -2.274 1.00 0.00 C ATOM 371 O ASN A 28 3.674 -14.894 -1.689 1.00 0.00 O ATOM 372 CB ASN A 28 4.031 -15.674 -4.503 1.00 0.00 C ATOM 373 CG ASN A 28 4.398 -17.120 -4.775 1.00 0.00 C ATOM 374 OD1 ASN A 28 3.709 -18.040 -4.334 1.00 0.00 O ATOM 375 ND2 ASN A 28 5.487 -17.326 -5.505 1.00 0.00 N ATOM 0 H ASN A 28 1.912 -13.640 -3.344 1.00 0.00 H new ATOM 0 HA ASN A 28 2.030 -16.348 -4.099 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.991 -15.129 -5.446 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.812 -15.211 -3.900 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.783 -18.278 -5.721 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.028 -16.533 -5.850 1.00 0.00 H new ATOM 382 N ARG A 29 2.192 -16.587 -1.652 1.00 0.00 N ATOM 383 CA ARG A 29 2.297 -16.792 -0.212 1.00 0.00 C ATOM 384 C ARG A 29 2.504 -18.269 0.112 1.00 0.00 C ATOM 385 O ARG A 29 1.746 -19.128 -0.341 1.00 0.00 O ATOM 386 CB ARG A 29 1.041 -16.275 0.492 1.00 0.00 C ATOM 387 CG ARG A 29 -0.250 -16.861 -0.057 1.00 0.00 C ATOM 388 CD ARG A 29 -1.353 -16.858 0.990 1.00 0.00 C ATOM 389 NE ARG A 29 -2.445 -17.761 0.637 1.00 0.00 N ATOM 390 CZ ARG A 29 -3.373 -17.474 -0.268 1.00 0.00 C ATOM 391 NH1 ARG A 29 -3.342 -16.314 -0.910 1.00 0.00 N ATOM 392 NH2 ARG A 29 -4.335 -18.348 -0.534 1.00 0.00 N ATOM 0 H ARG A 29 1.544 -17.219 -2.122 1.00 0.00 H new ATOM 0 HA ARG A 29 3.161 -16.234 0.147 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.111 -16.504 1.555 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.005 -15.189 0.401 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.571 -16.287 -0.926 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.072 -17.881 -0.397 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.938 -17.151 1.955 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.742 -15.846 1.104 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.498 -18.662 1.112 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.604 -15.639 -0.709 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.056 -16.096 -1.605 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.362 -19.242 -0.043 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.047 -18.126 -1.230 1.00 0.00 H new ATOM 406 N THR A 30 3.535 -18.558 0.899 1.00 0.00 N ATOM 407 CA THR A 30 3.843 -19.930 1.282 1.00 0.00 C ATOM 408 C THR A 30 3.640 -20.141 2.778 1.00 0.00 C ATOM 409 O THR A 30 3.204 -19.236 3.490 1.00 0.00 O ATOM 410 CB THR A 30 5.292 -20.305 0.915 1.00 0.00 C ATOM 411 OG1 THR A 30 6.210 -19.538 1.702 1.00 0.00 O ATOM 412 CG2 THR A 30 5.555 -20.060 -0.563 1.00 0.00 C ATOM 0 H THR A 30 4.171 -17.860 1.284 1.00 0.00 H new ATOM 0 HA THR A 30 3.158 -20.573 0.730 1.00 0.00 H new ATOM 0 HB THR A 30 5.434 -21.366 1.122 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.129 -19.783 1.464 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.584 -20.332 -0.799 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.873 -20.667 -1.159 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.397 -19.006 -0.791 1.00 0.00 H new ATOM 420 N LYS A 31 3.958 -21.342 3.250 1.00 0.00 N ATOM 421 CA LYS A 31 3.812 -21.673 4.663 1.00 0.00 C ATOM 422 C LYS A 31 4.840 -20.925 5.506 1.00 0.00 C ATOM 423 O LYS A 31 4.642 -20.716 6.702 1.00 0.00 O ATOM 424 CB LYS A 31 3.965 -23.181 4.873 1.00 0.00 C ATOM 425 CG LYS A 31 3.021 -24.012 4.021 1.00 0.00 C ATOM 426 CD LYS A 31 3.395 -25.485 4.050 1.00 0.00 C ATOM 427 CE LYS A 31 3.072 -26.116 5.396 1.00 0.00 C ATOM 428 NZ LYS A 31 3.562 -27.519 5.482 1.00 0.00 N ATOM 0 H LYS A 31 4.319 -22.103 2.674 1.00 0.00 H new ATOM 0 HA LYS A 31 2.815 -21.367 4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.992 -23.468 4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.792 -23.413 5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.000 -23.888 4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.043 -23.650 2.993 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.859 -26.013 3.261 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.459 -25.595 3.841 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.523 -25.524 6.192 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.994 -26.097 5.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.323 -27.914 6.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.112 -28.090 4.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.594 -27.535 5.354 1.00 0.00 H new ATOM 442 N ASN A 32 5.938 -20.523 4.873 1.00 0.00 N ATOM 443 CA ASN A 32 6.997 -19.797 5.565 1.00 0.00 C ATOM 444 C ASN A 32 7.460 -18.598 4.745 1.00 0.00 C ATOM 445 O ASN A 32 8.659 -18.352 4.608 1.00 0.00 O ATOM 446 CB ASN A 32 8.180 -20.725 5.847 1.00 0.00 C ATOM 447 CG ASN A 32 7.816 -21.859 6.786 1.00 0.00 C ATOM 448 OD1 ASN A 32 6.962 -22.763 6.320 1.00 0.00 O flip ATOM 449 ND2 ASN A 32 8.296 -21.920 7.918 1.00 0.00 N flip ATOM 0 H ASN A 32 6.117 -20.688 3.882 1.00 0.00 H new ATOM 0 HA ASN A 32 6.596 -19.434 6.511 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.546 -21.139 4.907 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.996 -20.147 6.280 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.949 -21.203 8.234 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.041 -22.688 8.539 1.00 0.00 H new ATOM 456 N SER A 33 6.502 -17.854 4.200 1.00 0.00 N ATOM 457 CA SER A 33 6.812 -16.682 3.390 1.00 0.00 C ATOM 458 C SER A 33 5.536 -15.952 2.981 1.00 0.00 C ATOM 459 O SER A 33 4.431 -16.472 3.140 1.00 0.00 O ATOM 460 CB SER A 33 7.601 -17.090 2.145 1.00 0.00 C ATOM 461 OG SER A 33 8.336 -15.996 1.625 1.00 0.00 O ATOM 0 H SER A 33 5.505 -18.042 4.305 1.00 0.00 H new ATOM 0 HA SER A 33 7.420 -16.006 3.991 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.282 -17.904 2.393 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.917 -17.467 1.385 1.00 0.00 H new ATOM 0 HG SER A 33 7.741 -15.423 1.097 1.00 0.00 H new ATOM 467 N LEU A 34 5.697 -14.743 2.454 1.00 0.00 N ATOM 468 CA LEU A 34 4.559 -13.940 2.021 1.00 0.00 C ATOM 469 C LEU A 34 4.995 -12.872 1.023 1.00 0.00 C ATOM 470 O LEU A 34 5.803 -11.999 1.343 1.00 0.00 O ATOM 471 CB LEU A 34 3.886 -13.282 3.226 1.00 0.00 C ATOM 472 CG LEU A 34 2.715 -14.050 3.843 1.00 0.00 C ATOM 473 CD1 LEU A 34 2.291 -13.412 5.156 1.00 0.00 C ATOM 474 CD2 LEU A 34 1.545 -14.106 2.872 1.00 0.00 C ATOM 0 H LEU A 34 6.604 -14.298 2.316 1.00 0.00 H new ATOM 0 HA LEU A 34 3.845 -14.601 1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.640 -13.127 3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.530 -12.297 2.925 1.00 0.00 H new ATOM 0 HG LEU A 34 3.041 -15.070 4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.457 -13.972 5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.128 -13.424 5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.983 -12.382 4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.721 -14.656 3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.219 -13.093 2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.856 -14.610 1.957 1.00 0.00 H new ATOM 486 N THR A 35 4.453 -12.945 -0.189 1.00 0.00 N ATOM 487 CA THR A 35 4.785 -11.985 -1.234 1.00 0.00 C ATOM 488 C THR A 35 3.671 -10.959 -1.412 1.00 0.00 C ATOM 489 O THR A 35 2.502 -11.316 -1.563 1.00 0.00 O ATOM 490 CB THR A 35 5.041 -12.687 -2.582 1.00 0.00 C ATOM 491 OG1 THR A 35 5.797 -13.885 -2.374 1.00 0.00 O ATOM 492 CG2 THR A 35 5.788 -11.768 -3.537 1.00 0.00 C ATOM 0 H THR A 35 3.782 -13.660 -0.471 1.00 0.00 H new ATOM 0 HA THR A 35 5.696 -11.477 -0.918 1.00 0.00 H new ATOM 0 HB THR A 35 4.077 -12.939 -3.025 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.228 -14.562 -1.952 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.957 -12.285 -4.482 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.196 -10.870 -3.716 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.746 -11.489 -3.099 1.00 0.00 H new ATOM 500 N LEU A 36 4.041 -9.683 -1.393 1.00 0.00 N ATOM 501 CA LEU A 36 3.072 -8.604 -1.553 1.00 0.00 C ATOM 502 C LEU A 36 3.513 -7.634 -2.644 1.00 0.00 C ATOM 503 O LEU A 36 4.653 -7.170 -2.651 1.00 0.00 O ATOM 504 CB LEU A 36 2.890 -7.856 -0.231 1.00 0.00 C ATOM 505 CG LEU A 36 2.503 -8.710 0.976 1.00 0.00 C ATOM 506 CD1 LEU A 36 3.023 -8.085 2.261 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.993 -8.889 1.041 1.00 0.00 C ATOM 0 H LEU A 36 5.004 -9.370 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 36 2.119 -9.044 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.820 -7.336 0.000 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.125 -7.093 -0.371 1.00 0.00 H new ATOM 0 HG LEU A 36 2.961 -9.693 0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.738 -8.707 3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.109 -8.010 2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.595 -7.090 2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.736 -9.500 1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.514 -7.914 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.646 -9.382 0.133 1.00 0.00 H new ATOM 519 N GLN A 37 2.602 -7.329 -3.562 1.00 0.00 N ATOM 520 CA GLN A 37 2.897 -6.412 -4.657 1.00 0.00 C ATOM 521 C GLN A 37 1.990 -5.187 -4.600 1.00 0.00 C ATOM 522 O GLN A 37 0.876 -5.252 -4.082 1.00 0.00 O ATOM 523 CB GLN A 37 2.734 -7.121 -6.002 1.00 0.00 C ATOM 524 CG GLN A 37 3.787 -8.187 -6.261 1.00 0.00 C ATOM 525 CD GLN A 37 3.850 -8.604 -7.716 1.00 0.00 C ATOM 526 OE1 GLN A 37 3.637 -9.771 -8.049 1.00 0.00 O ATOM 527 NE2 GLN A 37 4.142 -7.652 -8.594 1.00 0.00 N ATOM 0 H GLN A 37 1.653 -7.703 -3.570 1.00 0.00 H new ATOM 0 HA GLN A 37 3.930 -6.081 -4.552 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.746 -7.580 -6.044 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.775 -6.380 -6.801 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.762 -7.811 -5.952 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.573 -9.061 -5.646 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.311 -6.698 -8.275 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.197 -7.874 -9.588 1.00 0.00 H new ATOM 536 N TRP A 38 2.476 -4.074 -5.137 1.00 0.00 N ATOM 537 CA TRP A 38 1.708 -2.833 -5.147 1.00 0.00 C ATOM 538 C TRP A 38 2.187 -1.906 -6.258 1.00 0.00 C ATOM 539 O TRP A 38 3.128 -2.226 -6.985 1.00 0.00 O ATOM 540 CB TRP A 38 1.821 -2.129 -3.794 1.00 0.00 C ATOM 541 CG TRP A 38 3.231 -1.787 -3.417 1.00 0.00 C ATOM 542 CD1 TRP A 38 3.908 -0.643 -3.730 1.00 0.00 C ATOM 543 CD2 TRP A 38 4.136 -2.598 -2.659 1.00 0.00 C ATOM 544 NE1 TRP A 38 5.180 -0.694 -3.212 1.00 0.00 N ATOM 545 CE2 TRP A 38 5.344 -1.882 -2.550 1.00 0.00 C ATOM 546 CE3 TRP A 38 4.042 -3.857 -2.061 1.00 0.00 C ATOM 547 CZ2 TRP A 38 6.448 -2.386 -1.868 1.00 0.00 C ATOM 548 CZ3 TRP A 38 5.139 -4.356 -1.384 1.00 0.00 C ATOM 549 CH2 TRP A 38 6.329 -3.621 -1.292 1.00 0.00 C ATOM 0 H TRP A 38 3.397 -4.005 -5.571 1.00 0.00 H new ATOM 0 HA TRP A 38 0.663 -3.082 -5.333 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.227 -1.215 -3.817 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.391 -2.769 -3.023 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.504 0.180 -4.300 1.00 0.00 H new ATOM 0 HE1 TRP A 38 5.887 0.035 -3.305 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.129 -4.430 -2.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.366 -1.822 -1.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 5.078 -5.328 -0.918 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.169 -4.038 -0.756 1.00 0.00 H new ATOM 560 N LYS A 39 1.535 -0.755 -6.385 1.00 0.00 N ATOM 561 CA LYS A 39 1.895 0.220 -7.407 1.00 0.00 C ATOM 562 C LYS A 39 2.217 1.573 -6.779 1.00 0.00 C ATOM 563 O LYS A 39 2.090 1.751 -5.568 1.00 0.00 O ATOM 564 CB LYS A 39 0.757 0.373 -8.419 1.00 0.00 C ATOM 565 CG LYS A 39 0.185 -0.951 -8.896 1.00 0.00 C ATOM 566 CD LYS A 39 -1.275 -0.816 -9.293 1.00 0.00 C ATOM 567 CE LYS A 39 -1.429 -0.058 -10.602 1.00 0.00 C ATOM 568 NZ LYS A 39 -1.515 1.412 -10.385 1.00 0.00 N ATOM 0 H LYS A 39 0.754 -0.475 -5.792 1.00 0.00 H new ATOM 0 HA LYS A 39 2.785 -0.143 -7.922 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.041 0.963 -7.969 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.121 0.933 -9.280 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.763 -1.313 -9.747 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.281 -1.696 -8.106 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.720 -1.806 -9.390 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.821 -0.298 -8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.583 -0.280 -11.252 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.326 -0.402 -11.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.024 1.851 -11.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.025 1.603 -9.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.556 1.811 -10.325 1.00 0.00 H new ATOM 582 N ALA A 40 2.632 2.522 -7.611 1.00 0.00 N ATOM 583 CA ALA A 40 2.968 3.859 -7.137 1.00 0.00 C ATOM 584 C ALA A 40 1.832 4.840 -7.410 1.00 0.00 C ATOM 585 O ALA A 40 1.328 4.947 -8.529 1.00 0.00 O ATOM 586 CB ALA A 40 4.254 4.343 -7.790 1.00 0.00 C ATOM 0 H ALA A 40 2.744 2.390 -8.616 1.00 0.00 H new ATOM 0 HA ALA A 40 3.118 3.808 -6.059 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.493 5.343 -7.427 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.068 3.662 -7.540 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.124 4.371 -8.872 1.00 0.00 H new ATOM 592 N PRO A 41 1.418 5.573 -6.366 1.00 0.00 N ATOM 593 CA PRO A 41 0.337 6.557 -6.469 1.00 0.00 C ATOM 594 C PRO A 41 0.741 7.777 -7.291 1.00 0.00 C ATOM 595 O PRO A 41 1.731 7.746 -8.021 1.00 0.00 O ATOM 596 CB PRO A 41 0.079 6.954 -5.014 1.00 0.00 C ATOM 597 CG PRO A 41 1.367 6.687 -4.314 1.00 0.00 C ATOM 598 CD PRO A 41 1.974 5.497 -5.004 1.00 0.00 C ATOM 0 HA PRO A 41 -0.538 6.150 -6.975 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.205 8.003 -4.934 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.734 6.370 -4.583 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.029 7.551 -4.372 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.201 6.482 -3.256 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.063 5.548 -5.011 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.702 4.564 -4.510 1.00 0.00 H new ATOM 606 N SER A 42 -0.033 8.851 -7.166 1.00 0.00 N ATOM 607 CA SER A 42 0.242 10.081 -7.900 1.00 0.00 C ATOM 608 C SER A 42 1.195 10.979 -7.117 1.00 0.00 C ATOM 609 O SER A 42 0.868 11.446 -6.025 1.00 0.00 O ATOM 610 CB SER A 42 -1.060 10.829 -8.190 1.00 0.00 C ATOM 611 OG SER A 42 -0.863 11.836 -9.168 1.00 0.00 O ATOM 0 H SER A 42 -0.855 8.894 -6.564 1.00 0.00 H new ATOM 0 HA SER A 42 0.716 9.813 -8.844 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.818 10.126 -8.535 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.437 11.279 -7.271 1.00 0.00 H new ATOM 0 HG SER A 42 -1.710 12.298 -9.337 1.00 0.00 H new ATOM 617 N ASP A 43 2.373 11.217 -7.682 1.00 0.00 N ATOM 618 CA ASP A 43 3.374 12.060 -7.038 1.00 0.00 C ATOM 619 C ASP A 43 3.001 13.534 -7.160 1.00 0.00 C ATOM 620 O ASP A 43 3.162 14.140 -8.219 1.00 0.00 O ATOM 621 CB ASP A 43 4.751 11.816 -7.657 1.00 0.00 C ATOM 622 CG ASP A 43 5.175 10.363 -7.571 1.00 0.00 C ATOM 623 OD1 ASP A 43 4.388 9.490 -7.991 1.00 0.00 O ATOM 624 OD2 ASP A 43 6.295 10.099 -7.084 1.00 0.00 O ATOM 0 H ASP A 43 2.659 10.838 -8.585 1.00 0.00 H new ATOM 0 HA ASP A 43 3.409 11.799 -5.980 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.737 12.126 -8.702 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.489 12.438 -7.150 1.00 0.00 H new ATOM 661 N LYS A 47 8.607 13.892 -6.456 1.00 0.00 N ATOM 662 CA LYS A 47 8.581 12.440 -6.591 1.00 0.00 C ATOM 663 C LYS A 47 8.624 11.766 -5.223 1.00 0.00 C ATOM 664 O LYS A 47 8.993 12.388 -4.226 1.00 0.00 O ATOM 665 CB LYS A 47 9.760 11.965 -7.442 1.00 0.00 C ATOM 666 CG LYS A 47 11.084 11.953 -6.697 1.00 0.00 C ATOM 667 CD LYS A 47 11.780 13.301 -6.776 1.00 0.00 C ATOM 668 CE LYS A 47 11.423 14.183 -5.590 1.00 0.00 C ATOM 669 NZ LYS A 47 12.546 15.087 -5.213 1.00 0.00 N ATOM 0 HA LYS A 47 7.650 12.163 -7.085 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.550 10.960 -7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.850 12.611 -8.315 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.913 11.692 -5.653 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.732 11.183 -7.116 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.859 13.153 -6.809 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.499 13.803 -7.702 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.543 14.779 -5.832 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.159 13.557 -4.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.263 15.672 -4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.378 14.518 -4.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.781 15.703 -6.018 1.00 0.00 H new ATOM 683 N ILE A 48 8.247 10.493 -5.183 1.00 0.00 N ATOM 684 CA ILE A 48 8.245 9.735 -3.938 1.00 0.00 C ATOM 685 C ILE A 48 9.569 9.005 -3.737 1.00 0.00 C ATOM 686 O ILE A 48 9.808 7.959 -4.339 1.00 0.00 O ATOM 687 CB ILE A 48 7.096 8.711 -3.904 1.00 0.00 C ATOM 688 CG1 ILE A 48 5.748 9.419 -4.051 1.00 0.00 C ATOM 689 CG2 ILE A 48 7.141 7.907 -2.613 1.00 0.00 C ATOM 690 CD1 ILE A 48 4.666 8.542 -4.642 1.00 0.00 C ATOM 0 H ILE A 48 7.939 9.964 -5.999 1.00 0.00 H new ATOM 0 HA ILE A 48 8.103 10.454 -3.131 1.00 0.00 H new ATOM 0 HB ILE A 48 7.217 8.024 -4.741 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.424 9.772 -3.072 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.876 10.299 -4.681 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.322 7.187 -2.604 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.091 7.377 -2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.042 8.580 -1.761 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.738 9.109 -4.717 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.969 8.209 -5.635 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.510 7.675 -4.001 1.00 0.00 H new ATOM 702 N GLN A 49 10.424 9.564 -2.887 1.00 0.00 N ATOM 703 CA GLN A 49 11.723 8.965 -2.606 1.00 0.00 C ATOM 704 C GLN A 49 11.639 7.442 -2.642 1.00 0.00 C ATOM 705 O GLN A 49 12.111 6.807 -3.584 1.00 0.00 O ATOM 706 CB GLN A 49 12.237 9.427 -1.241 1.00 0.00 C ATOM 707 CG GLN A 49 12.322 10.938 -1.103 1.00 0.00 C ATOM 708 CD GLN A 49 13.063 11.370 0.147 1.00 0.00 C ATOM 709 OE1 GLN A 49 12.652 11.057 1.265 1.00 0.00 O ATOM 710 NE2 GLN A 49 14.162 12.092 -0.035 1.00 0.00 N ATOM 0 H GLN A 49 10.241 10.431 -2.381 1.00 0.00 H new ATOM 0 HA GLN A 49 12.420 9.291 -3.378 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.581 9.036 -0.464 1.00 0.00 H new ATOM 0 HB3 GLN A 49 13.225 8.999 -1.070 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.823 11.351 -1.979 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.315 11.355 -1.086 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.466 12.328 -0.979 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.702 12.410 0.770 1.00 0.00 H new ATOM 719 N ASN A 50 11.036 6.863 -1.609 1.00 0.00 N ATOM 720 CA ASN A 50 10.891 5.414 -1.522 1.00 0.00 C ATOM 721 C ASN A 50 9.580 5.038 -0.839 1.00 0.00 C ATOM 722 O ASN A 50 8.877 5.897 -0.306 1.00 0.00 O ATOM 723 CB ASN A 50 12.069 4.808 -0.756 1.00 0.00 C ATOM 724 CG ASN A 50 12.621 5.751 0.296 1.00 0.00 C ATOM 725 OD1 ASN A 50 11.738 6.285 1.133 1.00 0.00 O flip ATOM 726 ND2 ASN A 50 13.826 5.995 0.357 1.00 0.00 N flip ATOM 0 H ASN A 50 10.640 7.375 -0.820 1.00 0.00 H new ATOM 0 HA ASN A 50 10.880 5.014 -2.536 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.750 3.882 -0.278 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.861 4.548 -1.459 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.468 5.562 -0.307 1.00 0.00 H new ATOM 0 HD22 ASN A 50 14.182 6.630 1.071 1.00 0.00 H new ATOM 733 N PHE A 51 9.256 3.750 -0.860 1.00 0.00 N ATOM 734 CA PHE A 51 8.029 3.259 -0.244 1.00 0.00 C ATOM 735 C PHE A 51 8.294 2.757 1.172 1.00 0.00 C ATOM 736 O PHE A 51 9.343 2.175 1.450 1.00 0.00 O ATOM 737 CB PHE A 51 7.421 2.138 -1.090 1.00 0.00 C ATOM 738 CG PHE A 51 6.879 2.609 -2.409 1.00 0.00 C ATOM 739 CD1 PHE A 51 5.710 3.352 -2.467 1.00 0.00 C ATOM 740 CD2 PHE A 51 7.537 2.309 -3.590 1.00 0.00 C ATOM 741 CE1 PHE A 51 5.209 3.786 -3.679 1.00 0.00 C ATOM 742 CE2 PHE A 51 7.040 2.741 -4.806 1.00 0.00 C ATOM 743 CZ PHE A 51 5.875 3.481 -4.850 1.00 0.00 C ATOM 0 H PHE A 51 9.827 3.026 -1.297 1.00 0.00 H new ATOM 0 HA PHE A 51 7.323 4.087 -0.190 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.180 1.377 -1.269 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.619 1.662 -0.526 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.185 3.594 -1.555 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.449 1.731 -3.561 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.297 4.364 -3.711 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.562 2.500 -5.720 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.485 3.821 -5.798 1.00 0.00 H new ATOM 753 N VAL A 52 7.336 2.987 2.064 1.00 0.00 N ATOM 754 CA VAL A 52 7.465 2.558 3.452 1.00 0.00 C ATOM 755 C VAL A 52 6.384 1.546 3.817 1.00 0.00 C ATOM 756 O VAL A 52 5.217 1.902 3.983 1.00 0.00 O ATOM 757 CB VAL A 52 7.382 3.753 4.419 1.00 0.00 C ATOM 758 CG1 VAL A 52 7.485 3.282 5.862 1.00 0.00 C ATOM 759 CG2 VAL A 52 8.468 4.770 4.103 1.00 0.00 C ATOM 0 H VAL A 52 6.462 3.468 1.851 1.00 0.00 H new ATOM 0 HA VAL A 52 8.445 2.090 3.549 1.00 0.00 H new ATOM 0 HB VAL A 52 6.414 4.236 4.289 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.424 4.141 6.530 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.668 2.595 6.080 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.437 2.773 6.011 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.395 5.608 4.796 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.447 4.301 4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.342 5.131 3.082 1.00 0.00 H new ATOM 769 N LEU A 53 6.780 0.285 3.941 1.00 0.00 N ATOM 770 CA LEU A 53 5.845 -0.780 4.288 1.00 0.00 C ATOM 771 C LEU A 53 5.827 -1.021 5.794 1.00 0.00 C ATOM 772 O LEU A 53 6.806 -0.746 6.487 1.00 0.00 O ATOM 773 CB LEU A 53 6.219 -2.072 3.558 1.00 0.00 C ATOM 774 CG LEU A 53 5.320 -3.279 3.827 1.00 0.00 C ATOM 775 CD1 LEU A 53 3.964 -3.094 3.163 1.00 0.00 C ATOM 776 CD2 LEU A 53 5.984 -4.558 3.339 1.00 0.00 C ATOM 0 H LEU A 53 7.742 -0.026 3.807 1.00 0.00 H new ATOM 0 HA LEU A 53 4.848 -0.469 3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.216 -1.874 2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.241 -2.337 3.831 1.00 0.00 H new ATOM 0 HG LEU A 53 5.167 -3.360 4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.338 -3.963 3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.483 -2.200 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.098 -2.986 2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.330 -5.407 3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.168 -4.486 2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.930 -4.699 3.861 1.00 0.00 H new ATOM 788 N GLU A 54 4.708 -1.536 6.293 1.00 0.00 N ATOM 789 CA GLU A 54 4.565 -1.815 7.717 1.00 0.00 C ATOM 790 C GLU A 54 3.656 -3.019 7.947 1.00 0.00 C ATOM 791 O GLU A 54 2.768 -3.302 7.143 1.00 0.00 O ATOM 792 CB GLU A 54 4.002 -0.592 8.444 1.00 0.00 C ATOM 793 CG GLU A 54 5.023 0.513 8.656 1.00 0.00 C ATOM 794 CD GLU A 54 4.533 1.585 9.610 1.00 0.00 C ATOM 795 OE1 GLU A 54 3.545 1.331 10.331 1.00 0.00 O ATOM 796 OE2 GLU A 54 5.137 2.678 9.637 1.00 0.00 O ATOM 0 H GLU A 54 3.888 -1.768 5.733 1.00 0.00 H new ATOM 0 HA GLU A 54 5.552 -2.045 8.117 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.163 -0.195 7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.610 -0.904 9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.945 0.081 9.044 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.264 0.969 7.696 1.00 0.00 H new ATOM 803 N TRP A 55 3.887 -3.724 9.048 1.00 0.00 N ATOM 804 CA TRP A 55 3.090 -4.899 9.384 1.00 0.00 C ATOM 805 C TRP A 55 3.144 -5.183 10.881 1.00 0.00 C ATOM 806 O TRP A 55 4.069 -4.754 11.571 1.00 0.00 O ATOM 807 CB TRP A 55 3.585 -6.117 8.603 1.00 0.00 C ATOM 808 CG TRP A 55 4.914 -6.625 9.075 1.00 0.00 C ATOM 809 CD1 TRP A 55 5.965 -5.877 9.524 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.334 -7.992 9.143 1.00 0.00 C ATOM 811 NE1 TRP A 55 7.013 -6.698 9.866 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.650 -7.999 9.643 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.725 -9.211 8.832 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.366 -9.178 9.837 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.437 -10.380 9.024 1.00 0.00 C ATOM 816 CH2 TRP A 55 6.746 -10.357 9.524 1.00 0.00 C ATOM 0 H TRP A 55 4.619 -3.503 9.723 1.00 0.00 H new ATOM 0 HA TRP A 55 2.055 -4.696 9.109 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.848 -6.916 8.685 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.657 -5.858 7.547 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.972 -4.800 9.599 1.00 0.00 H new ATOM 0 HE1 TRP A 55 7.915 -6.388 10.227 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.716 -9.239 8.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.375 -9.162 10.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.977 -11.327 8.785 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.276 -11.288 9.665 1.00 0.00 H new ATOM 827 N ASP A 56 2.147 -5.908 11.378 1.00 0.00 N ATOM 828 CA ASP A 56 2.082 -6.251 12.794 1.00 0.00 C ATOM 829 C ASP A 56 2.823 -7.555 13.071 1.00 0.00 C ATOM 830 O ASP A 56 2.447 -8.314 13.964 1.00 0.00 O ATOM 831 CB ASP A 56 0.626 -6.370 13.245 1.00 0.00 C ATOM 832 CG ASP A 56 0.500 -6.602 14.738 1.00 0.00 C ATOM 833 OD1 ASP A 56 0.911 -5.713 15.514 1.00 0.00 O ATOM 834 OD2 ASP A 56 -0.011 -7.671 15.131 1.00 0.00 O ATOM 0 H ASP A 56 1.373 -6.269 10.821 1.00 0.00 H new ATOM 0 HA ASP A 56 2.564 -5.453 13.359 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.089 -5.460 12.975 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.149 -7.192 12.711 1.00 0.00 H new ATOM 839 N GLU A 57 3.875 -7.809 12.300 1.00 0.00 N ATOM 840 CA GLU A 57 4.666 -9.023 12.463 1.00 0.00 C ATOM 841 C GLU A 57 3.772 -10.214 12.794 1.00 0.00 C ATOM 842 O GLU A 57 4.183 -11.135 13.499 1.00 0.00 O ATOM 843 CB GLU A 57 5.711 -8.833 13.564 1.00 0.00 C ATOM 844 CG GLU A 57 6.767 -7.793 13.229 1.00 0.00 C ATOM 845 CD GLU A 57 7.965 -7.858 14.156 1.00 0.00 C ATOM 846 OE1 GLU A 57 8.422 -8.981 14.458 1.00 0.00 O ATOM 847 OE2 GLU A 57 8.447 -6.786 14.578 1.00 0.00 O ATOM 0 H GLU A 57 4.199 -7.191 11.556 1.00 0.00 H new ATOM 0 HA GLU A 57 5.175 -9.224 11.520 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.207 -8.542 14.486 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.201 -9.787 13.756 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.100 -7.937 12.201 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.323 -6.799 13.284 1.00 0.00 H new ATOM 854 N GLY A 58 2.546 -10.188 12.281 1.00 0.00 N ATOM 855 CA GLY A 58 1.612 -11.270 12.533 1.00 0.00 C ATOM 856 C GLY A 58 1.619 -11.715 13.982 1.00 0.00 C ATOM 857 O GLY A 58 1.653 -12.911 14.272 1.00 0.00 O ATOM 0 H GLY A 58 2.183 -9.436 11.695 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.607 -10.950 12.259 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.861 -12.117 11.894 1.00 0.00 H new ATOM 861 N LYS A 59 1.588 -10.751 14.896 1.00 0.00 N ATOM 862 CA LYS A 59 1.591 -11.048 16.323 1.00 0.00 C ATOM 863 C LYS A 59 0.176 -11.008 16.890 1.00 0.00 C ATOM 864 O LYS A 59 -0.247 -11.923 17.596 1.00 0.00 O ATOM 865 CB LYS A 59 2.481 -10.052 17.071 1.00 0.00 C ATOM 866 CG LYS A 59 3.943 -10.117 16.664 1.00 0.00 C ATOM 867 CD LYS A 59 4.825 -9.341 17.627 1.00 0.00 C ATOM 868 CE LYS A 59 4.744 -7.843 17.374 1.00 0.00 C ATOM 869 NZ LYS A 59 5.071 -7.055 18.594 1.00 0.00 N ATOM 0 H LYS A 59 1.560 -9.756 14.673 1.00 0.00 H new ATOM 0 HA LYS A 59 1.989 -12.054 16.458 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.109 -9.043 16.896 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.402 -10.240 18.142 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.266 -11.157 16.631 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.060 -9.715 15.658 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.522 -9.555 18.652 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.858 -9.673 17.524 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.431 -7.573 16.572 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.741 -7.586 17.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.004 -6.040 18.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.400 -7.294 19.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.038 -7.281 18.904 1.00 0.00 H new ATOM 883 N GLY A 60 -0.552 -9.940 16.576 1.00 0.00 N ATOM 884 CA GLY A 60 -1.913 -9.802 17.062 1.00 0.00 C ATOM 885 C GLY A 60 -2.008 -8.885 18.266 1.00 0.00 C ATOM 886 O GLY A 60 -2.775 -9.144 19.192 1.00 0.00 O ATOM 0 H GLY A 60 -0.224 -9.169 15.994 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.544 -9.413 16.262 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.303 -10.785 17.326 1.00 0.00 H new ATOM 890 N ASN A 61 -1.225 -7.811 18.253 1.00 0.00 N ATOM 891 CA ASN A 61 -1.223 -6.854 19.353 1.00 0.00 C ATOM 892 C ASN A 61 -1.765 -5.502 18.899 1.00 0.00 C ATOM 893 O ASN A 61 -2.558 -4.873 19.599 1.00 0.00 O ATOM 894 CB ASN A 61 0.192 -6.688 19.910 1.00 0.00 C ATOM 895 CG ASN A 61 1.100 -5.928 18.962 1.00 0.00 C ATOM 896 OD1 ASN A 61 1.017 -4.705 18.851 1.00 0.00 O ATOM 897 ND2 ASN A 61 1.974 -6.653 18.272 1.00 0.00 N ATOM 0 H ASN A 61 -0.584 -7.582 17.493 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.872 -7.240 20.139 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.145 -6.162 20.864 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.619 -7.671 20.109 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.611 -6.198 17.619 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.008 -7.665 18.396 1.00 0.00 H new ATOM 904 N GLY A 62 -1.332 -5.062 17.722 1.00 0.00 N ATOM 905 CA GLY A 62 -1.785 -3.788 17.194 1.00 0.00 C ATOM 906 C GLY A 62 -0.658 -2.784 17.058 1.00 0.00 C ATOM 907 O GLY A 62 -0.865 -1.583 17.226 1.00 0.00 O ATOM 0 H GLY A 62 -0.676 -5.565 17.124 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.247 -3.946 16.219 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.554 -3.379 17.849 1.00 0.00 H new ATOM 911 N GLU A 63 0.539 -3.277 16.755 1.00 0.00 N ATOM 912 CA GLU A 63 1.704 -2.413 16.599 1.00 0.00 C ATOM 913 C GLU A 63 2.378 -2.646 15.250 1.00 0.00 C ATOM 914 O GLU A 63 2.972 -3.698 15.014 1.00 0.00 O ATOM 915 CB GLU A 63 2.704 -2.659 17.731 1.00 0.00 C ATOM 916 CG GLU A 63 2.299 -2.022 19.050 1.00 0.00 C ATOM 917 CD GLU A 63 2.816 -0.604 19.195 1.00 0.00 C ATOM 918 OE1 GLU A 63 2.968 0.081 18.162 1.00 0.00 O ATOM 919 OE2 GLU A 63 3.068 -0.178 20.342 1.00 0.00 O ATOM 0 H GLU A 63 0.727 -4.269 16.613 1.00 0.00 H new ATOM 0 HA GLU A 63 1.365 -1.378 16.642 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.819 -3.733 17.876 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.679 -2.272 17.434 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.212 -2.018 19.129 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.676 -2.628 19.873 1.00 0.00 H new ATOM 926 N PHE A 64 2.280 -1.657 14.368 1.00 0.00 N ATOM 927 CA PHE A 64 2.879 -1.754 13.042 1.00 0.00 C ATOM 928 C PHE A 64 4.264 -1.113 13.022 1.00 0.00 C ATOM 929 O PHE A 64 4.463 -0.025 13.562 1.00 0.00 O ATOM 930 CB PHE A 64 1.979 -1.083 12.002 1.00 0.00 C ATOM 931 CG PHE A 64 0.738 -1.868 11.687 1.00 0.00 C ATOM 932 CD1 PHE A 64 -0.274 -1.995 12.625 1.00 0.00 C ATOM 933 CD2 PHE A 64 0.583 -2.479 10.454 1.00 0.00 C ATOM 934 CE1 PHE A 64 -1.417 -2.718 12.338 1.00 0.00 C ATOM 935 CE2 PHE A 64 -0.557 -3.203 10.161 1.00 0.00 C ATOM 936 CZ PHE A 64 -1.559 -3.321 11.104 1.00 0.00 C ATOM 0 H PHE A 64 1.792 -0.780 14.547 1.00 0.00 H new ATOM 0 HA PHE A 64 2.983 -2.810 12.795 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.692 -0.096 12.364 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.547 -0.933 11.084 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.169 -1.524 13.591 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.363 -2.389 9.712 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.198 -2.811 13.078 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.664 -3.676 9.196 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.452 -3.884 10.877 1.00 0.00 H new ATOM 946 N CYS A 65 5.216 -1.796 12.396 1.00 0.00 N ATOM 947 CA CYS A 65 6.583 -1.295 12.306 1.00 0.00 C ATOM 948 C CYS A 65 7.114 -1.417 10.881 1.00 0.00 C ATOM 949 O CYS A 65 6.724 -2.318 10.139 1.00 0.00 O ATOM 950 CB CYS A 65 7.492 -2.059 13.269 1.00 0.00 C ATOM 951 SG CYS A 65 6.998 -1.935 15.005 1.00 0.00 S ATOM 0 H CYS A 65 5.067 -2.698 11.943 1.00 0.00 H new ATOM 0 HA CYS A 65 6.577 -0.241 12.583 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.507 -3.110 12.981 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.510 -1.685 13.164 1.00 0.00 H new ATOM 0 HG CYS A 65 7.826 -2.615 15.741 1.00 0.00 H new ATOM 957 N GLN A 66 8.004 -0.504 10.507 1.00 0.00 N ATOM 958 CA GLN A 66 8.587 -0.509 9.170 1.00 0.00 C ATOM 959 C GLN A 66 9.160 -1.881 8.831 1.00 0.00 C ATOM 960 O GLN A 66 10.130 -2.327 9.443 1.00 0.00 O ATOM 961 CB GLN A 66 9.681 0.555 9.064 1.00 0.00 C ATOM 962 CG GLN A 66 10.286 0.669 7.674 1.00 0.00 C ATOM 963 CD GLN A 66 11.075 1.949 7.485 1.00 0.00 C ATOM 964 OE1 GLN A 66 10.553 2.944 6.980 1.00 0.00 O ATOM 965 NE2 GLN A 66 12.339 1.932 7.889 1.00 0.00 N ATOM 0 H GLN A 66 8.337 0.248 11.110 1.00 0.00 H new ATOM 0 HA GLN A 66 7.797 -0.280 8.455 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.266 1.521 9.351 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.472 0.324 9.778 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.939 -0.185 7.495 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.490 0.624 6.931 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.731 1.086 8.302 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.918 2.765 7.786 1.00 0.00 H new ATOM 974 N CYS A 67 8.553 -2.544 7.853 1.00 0.00 N ATOM 975 CA CYS A 67 9.003 -3.866 7.433 1.00 0.00 C ATOM 976 C CYS A 67 10.019 -3.761 6.300 1.00 0.00 C ATOM 977 O CYS A 67 11.130 -4.282 6.399 1.00 0.00 O ATOM 978 CB CYS A 67 7.811 -4.715 6.988 1.00 0.00 C ATOM 979 SG CYS A 67 8.102 -6.498 7.071 1.00 0.00 S ATOM 0 H CYS A 67 7.749 -2.188 7.336 1.00 0.00 H new ATOM 0 HA CYS A 67 9.485 -4.346 8.285 1.00 0.00 H new ATOM 0 HB2 CYS A 67 6.951 -4.469 7.611 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.550 -4.448 5.964 1.00 0.00 H new ATOM 0 HG CYS A 67 7.495 -6.989 8.111 1.00 0.00 H new ATOM 985 N TYR A 68 9.629 -3.086 5.224 1.00 0.00 N ATOM 986 CA TYR A 68 10.504 -2.916 4.071 1.00 0.00 C ATOM 987 C TYR A 68 10.442 -1.484 3.546 1.00 0.00 C ATOM 988 O TYR A 68 9.361 -0.945 3.311 1.00 0.00 O ATOM 989 CB TYR A 68 10.117 -3.895 2.961 1.00 0.00 C ATOM 990 CG TYR A 68 10.882 -3.685 1.674 1.00 0.00 C ATOM 991 CD1 TYR A 68 10.412 -2.814 0.698 1.00 0.00 C ATOM 992 CD2 TYR A 68 12.074 -4.356 1.434 1.00 0.00 C ATOM 993 CE1 TYR A 68 11.107 -2.620 -0.480 1.00 0.00 C ATOM 994 CE2 TYR A 68 12.776 -4.167 0.259 1.00 0.00 C ATOM 995 CZ TYR A 68 12.289 -3.298 -0.694 1.00 0.00 C ATOM 996 OH TYR A 68 12.985 -3.106 -1.866 1.00 0.00 O ATOM 0 H TYR A 68 8.713 -2.648 5.127 1.00 0.00 H new ATOM 0 HA TYR A 68 11.526 -3.123 4.389 1.00 0.00 H new ATOM 0 HB2 TYR A 68 10.285 -4.913 3.312 1.00 0.00 H new ATOM 0 HB3 TYR A 68 9.050 -3.799 2.759 1.00 0.00 H new ATOM 0 HD1 TYR A 68 9.488 -2.280 0.863 1.00 0.00 H new ATOM 0 HD2 TYR A 68 12.459 -5.037 2.179 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.727 -1.941 -1.229 1.00 0.00 H new ATOM 0 HE2 TYR A 68 13.701 -4.697 0.088 1.00 0.00 H new ATOM 0 HH TYR A 68 13.894 -3.458 -1.768 1.00 0.00 H new ATOM 1006 N MET A 69 11.609 -0.876 3.364 1.00 0.00 N ATOM 1007 CA MET A 69 11.689 0.492 2.865 1.00 0.00 C ATOM 1008 C MET A 69 12.681 0.593 1.711 1.00 0.00 C ATOM 1009 O MET A 69 13.885 0.423 1.898 1.00 0.00 O ATOM 1010 CB MET A 69 12.098 1.445 3.990 1.00 0.00 C ATOM 1011 CG MET A 69 12.452 2.841 3.505 1.00 0.00 C ATOM 1012 SD MET A 69 12.838 3.969 4.857 1.00 0.00 S ATOM 1013 CE MET A 69 12.724 5.550 4.023 1.00 0.00 C ATOM 0 H MET A 69 12.513 -1.309 3.555 1.00 0.00 H new ATOM 0 HA MET A 69 10.703 0.777 2.498 1.00 0.00 H new ATOM 0 HB2 MET A 69 11.283 1.515 4.710 1.00 0.00 H new ATOM 0 HB3 MET A 69 12.954 1.025 4.518 1.00 0.00 H new ATOM 0 HG2 MET A 69 13.307 2.781 2.831 1.00 0.00 H new ATOM 0 HG3 MET A 69 11.619 3.243 2.928 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.938 6.351 4.731 1.00 0.00 H new ATOM 0 HE2 MET A 69 13.446 5.584 3.208 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.718 5.678 3.622 1.00 0.00 H new ATOM 1023 N GLY A 70 12.167 0.871 0.517 1.00 0.00 N ATOM 1024 CA GLY A 70 13.022 0.990 -0.650 1.00 0.00 C ATOM 1025 C GLY A 70 12.264 1.448 -1.880 1.00 0.00 C ATOM 1026 O GLY A 70 11.098 1.832 -1.792 1.00 0.00 O ATOM 0 H GLY A 70 11.174 1.016 0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.825 1.696 -0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.490 0.027 -0.853 1.00 0.00 H new ATOM 1030 N SER A 71 12.928 1.408 -3.031 1.00 0.00 N ATOM 1031 CA SER A 71 12.312 1.828 -4.284 1.00 0.00 C ATOM 1032 C SER A 71 11.387 0.741 -4.825 1.00 0.00 C ATOM 1033 O SER A 71 10.287 1.027 -5.297 1.00 0.00 O ATOM 1034 CB SER A 71 13.387 2.160 -5.320 1.00 0.00 C ATOM 1035 OG SER A 71 12.822 2.785 -6.459 1.00 0.00 O ATOM 0 H SER A 71 13.893 1.089 -3.121 1.00 0.00 H new ATOM 0 HA SER A 71 11.719 2.721 -4.087 1.00 0.00 H new ATOM 0 HB2 SER A 71 14.135 2.816 -4.875 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.902 1.247 -5.620 1.00 0.00 H new ATOM 0 HG SER A 71 13.530 2.988 -7.105 1.00 0.00 H new ATOM 1041 N GLN A 72 11.843 -0.505 -4.752 1.00 0.00 N ATOM 1042 CA GLN A 72 11.058 -1.635 -5.235 1.00 0.00 C ATOM 1043 C GLN A 72 9.637 -1.587 -4.680 1.00 0.00 C ATOM 1044 O GLN A 72 9.409 -1.111 -3.568 1.00 0.00 O ATOM 1045 CB GLN A 72 11.727 -2.953 -4.843 1.00 0.00 C ATOM 1046 CG GLN A 72 13.129 -3.115 -5.406 1.00 0.00 C ATOM 1047 CD GLN A 72 14.023 -3.955 -4.515 1.00 0.00 C ATOM 1048 OE1 GLN A 72 15.106 -3.524 -4.118 1.00 0.00 O ATOM 1049 NE2 GLN A 72 13.573 -5.163 -4.195 1.00 0.00 N ATOM 0 H GLN A 72 12.752 -0.758 -4.363 1.00 0.00 H new ATOM 0 HA GLN A 72 11.007 -1.572 -6.322 1.00 0.00 H new ATOM 0 HB2 GLN A 72 11.771 -3.019 -3.756 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.108 -3.781 -5.188 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.069 -3.576 -6.392 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.578 -2.131 -5.541 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.669 -5.480 -4.546 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.131 -5.773 -3.598 1.00 0.00 H new ATOM 1058 N LYS A 73 8.685 -2.083 -5.463 1.00 0.00 N ATOM 1059 CA LYS A 73 7.287 -2.098 -5.051 1.00 0.00 C ATOM 1060 C LYS A 73 6.837 -3.514 -4.703 1.00 0.00 C ATOM 1061 O LYS A 73 5.643 -3.780 -4.570 1.00 0.00 O ATOM 1062 CB LYS A 73 6.400 -1.529 -6.162 1.00 0.00 C ATOM 1063 CG LYS A 73 6.631 -0.052 -6.428 1.00 0.00 C ATOM 1064 CD LYS A 73 5.771 0.450 -7.575 1.00 0.00 C ATOM 1065 CE LYS A 73 6.449 0.228 -8.918 1.00 0.00 C ATOM 1066 NZ LYS A 73 7.480 1.265 -9.197 1.00 0.00 N ATOM 0 H LYS A 73 8.857 -2.480 -6.387 1.00 0.00 H new ATOM 0 HA LYS A 73 7.190 -1.475 -4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.580 -2.087 -7.081 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.354 -1.682 -5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.408 0.520 -5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.683 0.117 -6.660 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.810 -0.063 -7.562 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.567 1.512 -7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.913 -0.758 -8.932 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.700 0.239 -9.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.919 1.078 -10.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.033 2.204 -9.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.209 1.238 -8.456 1.00 0.00 H new ATOM 1080 N GLN A 74 7.802 -4.416 -4.556 1.00 0.00 N ATOM 1081 CA GLN A 74 7.504 -5.804 -4.222 1.00 0.00 C ATOM 1082 C GLN A 74 8.502 -6.345 -3.204 1.00 0.00 C ATOM 1083 O GLN A 74 9.714 -6.205 -3.371 1.00 0.00 O ATOM 1084 CB GLN A 74 7.525 -6.670 -5.483 1.00 0.00 C ATOM 1085 CG GLN A 74 7.339 -8.153 -5.206 1.00 0.00 C ATOM 1086 CD GLN A 74 7.305 -8.984 -6.474 1.00 0.00 C ATOM 1087 OE1 GLN A 74 7.452 -8.459 -7.578 1.00 0.00 O ATOM 1088 NE2 GLN A 74 7.111 -10.288 -6.322 1.00 0.00 N ATOM 0 H GLN A 74 8.795 -4.211 -4.663 1.00 0.00 H new ATOM 0 HA GLN A 74 6.508 -5.839 -3.782 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.738 -6.333 -6.158 1.00 0.00 H new ATOM 0 HB3 GLN A 74 8.473 -6.522 -6.000 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.150 -8.504 -4.568 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.411 -8.302 -4.654 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.994 -10.681 -5.388 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.079 -10.898 -7.139 1.00 0.00 H new ATOM 1097 N PHE A 75 7.985 -6.964 -2.147 1.00 0.00 N ATOM 1098 CA PHE A 75 8.831 -7.525 -1.100 1.00 0.00 C ATOM 1099 C PHE A 75 8.271 -8.855 -0.603 1.00 0.00 C ATOM 1100 O PHE A 75 7.072 -8.982 -0.351 1.00 0.00 O ATOM 1101 CB PHE A 75 8.954 -6.543 0.066 1.00 0.00 C ATOM 1102 CG PHE A 75 9.581 -7.143 1.292 1.00 0.00 C ATOM 1103 CD1 PHE A 75 10.749 -7.882 1.198 1.00 0.00 C ATOM 1104 CD2 PHE A 75 9.002 -6.968 2.539 1.00 0.00 C ATOM 1105 CE1 PHE A 75 11.327 -8.437 2.324 1.00 0.00 C ATOM 1106 CE2 PHE A 75 9.576 -7.520 3.669 1.00 0.00 C ATOM 1107 CZ PHE A 75 10.740 -8.254 3.561 1.00 0.00 C ATOM 0 H PHE A 75 6.985 -7.090 -1.993 1.00 0.00 H new ATOM 0 HA PHE A 75 9.820 -7.702 -1.522 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.547 -5.685 -0.253 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.963 -6.168 0.321 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.213 -8.026 0.234 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.092 -6.394 2.629 1.00 0.00 H new ATOM 0 HE1 PHE A 75 12.236 -9.013 2.237 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.114 -7.377 4.635 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.191 -8.685 4.443 1.00 0.00 H new ATOM 1117 N LYS A 76 9.147 -9.844 -0.464 1.00 0.00 N ATOM 1118 CA LYS A 76 8.743 -11.165 0.003 1.00 0.00 C ATOM 1119 C LYS A 76 9.261 -11.424 1.414 1.00 0.00 C ATOM 1120 O LYS A 76 10.458 -11.624 1.618 1.00 0.00 O ATOM 1121 CB LYS A 76 9.261 -12.245 -0.949 1.00 0.00 C ATOM 1122 CG LYS A 76 9.068 -13.659 -0.426 1.00 0.00 C ATOM 1123 CD LYS A 76 9.920 -14.657 -1.192 1.00 0.00 C ATOM 1124 CE LYS A 76 9.336 -16.060 -1.119 1.00 0.00 C ATOM 1125 NZ LYS A 76 9.769 -16.902 -2.268 1.00 0.00 N ATOM 0 H LYS A 76 10.142 -9.756 -0.668 1.00 0.00 H new ATOM 0 HA LYS A 76 7.654 -11.199 0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.751 -12.148 -1.907 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.322 -12.076 -1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.326 -13.695 0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.017 -13.938 -0.507 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.996 -14.347 -2.234 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.931 -14.661 -0.786 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.643 -16.533 -0.186 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.248 -16.000 -1.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.350 -17.850 -2.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.454 -16.464 -3.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.806 -16.981 -2.269 1.00 0.00 H new ATOM 1139 N ILE A 77 8.351 -11.421 2.383 1.00 0.00 N ATOM 1140 CA ILE A 77 8.717 -11.659 3.774 1.00 0.00 C ATOM 1141 C ILE A 77 8.869 -13.151 4.055 1.00 0.00 C ATOM 1142 O ILE A 77 7.881 -13.877 4.166 1.00 0.00 O ATOM 1143 CB ILE A 77 7.672 -11.070 4.739 1.00 0.00 C ATOM 1144 CG1 ILE A 77 7.611 -9.548 4.594 1.00 0.00 C ATOM 1145 CG2 ILE A 77 7.998 -11.458 6.174 1.00 0.00 C ATOM 1146 CD1 ILE A 77 6.248 -8.966 4.894 1.00 0.00 C ATOM 0 H ILE A 77 7.356 -11.257 2.230 1.00 0.00 H new ATOM 0 HA ILE A 77 9.673 -11.162 3.939 1.00 0.00 H new ATOM 0 HB ILE A 77 6.694 -11.479 4.485 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.344 -9.098 5.263 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.897 -9.276 3.578 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.250 -11.034 6.844 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.995 -12.544 6.267 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.983 -11.074 6.440 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.280 -7.883 4.771 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.513 -9.388 4.208 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.967 -9.207 5.919 1.00 0.00 H new ATOM 1158 N THR A 78 10.114 -13.602 4.171 1.00 0.00 N ATOM 1159 CA THR A 78 10.396 -15.006 4.440 1.00 0.00 C ATOM 1160 C THR A 78 10.514 -15.266 5.938 1.00 0.00 C ATOM 1161 O THR A 78 10.321 -14.363 6.752 1.00 0.00 O ATOM 1162 CB THR A 78 11.695 -15.461 3.748 1.00 0.00 C ATOM 1163 OG1 THR A 78 12.757 -14.549 4.051 1.00 0.00 O ATOM 1164 CG2 THR A 78 11.505 -15.541 2.241 1.00 0.00 C ATOM 0 H THR A 78 10.943 -13.015 4.083 1.00 0.00 H new ATOM 0 HA THR A 78 9.560 -15.579 4.039 1.00 0.00 H new ATOM 0 HB THR A 78 11.951 -16.453 4.120 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.580 -14.846 3.609 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.435 -15.864 1.774 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.716 -16.257 2.011 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.228 -14.559 1.857 1.00 0.00 H new ATOM 1172 N LYS A 79 10.834 -16.505 6.295 1.00 0.00 N ATOM 1173 CA LYS A 79 10.981 -16.884 7.695 1.00 0.00 C ATOM 1174 C LYS A 79 9.664 -16.712 8.446 1.00 0.00 C ATOM 1175 O LYS A 79 9.634 -16.166 9.549 1.00 0.00 O ATOM 1176 CB LYS A 79 12.073 -16.045 8.361 1.00 0.00 C ATOM 1177 CG LYS A 79 13.430 -16.170 7.690 1.00 0.00 C ATOM 1178 CD LYS A 79 14.183 -17.395 8.179 1.00 0.00 C ATOM 1179 CE LYS A 79 14.998 -17.088 9.426 1.00 0.00 C ATOM 1180 NZ LYS A 79 16.103 -16.131 9.145 1.00 0.00 N ATOM 0 H LYS A 79 10.997 -17.264 5.634 1.00 0.00 H new ATOM 0 HA LYS A 79 11.266 -17.935 7.732 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.769 -14.998 8.356 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.164 -16.345 9.405 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.299 -16.230 6.610 1.00 0.00 H new ATOM 0 HG3 LYS A 79 14.020 -15.275 7.890 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.476 -18.196 8.393 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.844 -17.756 7.391 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.345 -16.673 10.194 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.412 -18.013 9.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.854 -16.249 9.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.490 -16.316 8.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.738 -15.158 9.186 1.00 0.00 H new ATOM 1194 N LEU A 80 8.579 -17.183 7.843 1.00 0.00 N ATOM 1195 CA LEU A 80 7.259 -17.083 8.455 1.00 0.00 C ATOM 1196 C LEU A 80 6.708 -18.465 8.793 1.00 0.00 C ATOM 1197 O LEU A 80 7.381 -19.477 8.595 1.00 0.00 O ATOM 1198 CB LEU A 80 6.294 -16.352 7.519 1.00 0.00 C ATOM 1199 CG LEU A 80 6.604 -14.879 7.252 1.00 0.00 C ATOM 1200 CD1 LEU A 80 5.451 -14.216 6.515 1.00 0.00 C ATOM 1201 CD2 LEU A 80 6.895 -14.150 8.556 1.00 0.00 C ATOM 0 H LEU A 80 8.587 -17.638 6.930 1.00 0.00 H new ATOM 0 HA LEU A 80 7.358 -16.515 9.380 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.277 -16.878 6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.290 -16.421 7.939 1.00 0.00 H new ATOM 0 HG LEU A 80 7.492 -14.823 6.622 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.690 -13.168 6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.289 -14.721 5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.546 -14.283 7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.114 -13.103 8.347 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.026 -14.215 9.211 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.754 -14.609 9.046 1.00 0.00 H new ATOM 1213 N SER A 81 5.481 -18.499 9.302 1.00 0.00 N ATOM 1214 CA SER A 81 4.841 -19.757 9.669 1.00 0.00 C ATOM 1215 C SER A 81 3.444 -19.853 9.062 1.00 0.00 C ATOM 1216 O SER A 81 2.789 -18.848 8.786 1.00 0.00 O ATOM 1217 CB SER A 81 4.758 -19.886 11.191 1.00 0.00 C ATOM 1218 OG SER A 81 6.034 -20.140 11.752 1.00 0.00 O ATOM 0 H SER A 81 4.910 -17.670 9.470 1.00 0.00 H new ATOM 0 HA SER A 81 5.447 -20.573 9.275 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.347 -18.970 11.615 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.075 -20.693 11.454 1.00 0.00 H new ATOM 0 HG SER A 81 5.954 -20.216 12.726 1.00 0.00 H new ATOM 1224 N PRO A 82 2.977 -21.092 8.849 1.00 0.00 N ATOM 1225 CA PRO A 82 1.654 -21.351 8.274 1.00 0.00 C ATOM 1226 C PRO A 82 0.524 -20.982 9.229 1.00 0.00 C ATOM 1227 O PRO A 82 0.638 -21.166 10.440 1.00 0.00 O ATOM 1228 CB PRO A 82 1.667 -22.860 8.017 1.00 0.00 C ATOM 1229 CG PRO A 82 2.654 -23.401 8.994 1.00 0.00 C ATOM 1230 CD PRO A 82 3.703 -22.336 9.155 1.00 0.00 C ATOM 0 HA PRO A 82 1.475 -20.755 7.379 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.680 -23.296 8.169 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.961 -23.085 6.992 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.176 -23.626 9.948 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.094 -24.330 8.631 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.112 -22.324 10.165 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.540 -22.490 8.474 1.00 0.00 H new ATOM 1238 N ALA A 83 -0.567 -20.463 8.676 1.00 0.00 N ATOM 1239 CA ALA A 83 -1.719 -20.071 9.479 1.00 0.00 C ATOM 1240 C ALA A 83 -1.361 -18.940 10.437 1.00 0.00 C ATOM 1241 O ALA A 83 -1.680 -18.996 11.624 1.00 0.00 O ATOM 1242 CB ALA A 83 -2.256 -21.268 10.249 1.00 0.00 C ATOM 0 H ALA A 83 -0.678 -20.304 7.675 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.495 -19.708 8.805 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.116 -20.962 10.845 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.559 -22.046 9.548 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.479 -21.656 10.907 1.00 0.00 H new ATOM 1248 N MET A 84 -0.697 -17.915 9.913 1.00 0.00 N ATOM 1249 CA MET A 84 -0.296 -16.770 10.723 1.00 0.00 C ATOM 1250 C MET A 84 -0.870 -15.476 10.156 1.00 0.00 C ATOM 1251 O MET A 84 -0.268 -14.847 9.287 1.00 0.00 O ATOM 1252 CB MET A 84 1.229 -16.677 10.794 1.00 0.00 C ATOM 1253 CG MET A 84 1.730 -15.411 11.469 1.00 0.00 C ATOM 1254 SD MET A 84 3.438 -15.025 11.041 1.00 0.00 S ATOM 1255 CE MET A 84 3.197 -13.827 9.731 1.00 0.00 C ATOM 0 H MET A 84 -0.425 -17.854 8.932 1.00 0.00 H new ATOM 0 HA MET A 84 -0.691 -16.912 11.729 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.613 -17.543 11.334 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.635 -16.725 9.784 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.091 -14.575 11.185 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.647 -15.523 12.550 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.093 -13.215 9.629 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.004 -14.347 8.793 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.347 -13.189 9.973 1.00 0.00 H new ATOM 1265 N GLY A 85 -2.039 -15.083 10.654 1.00 0.00 N ATOM 1266 CA GLY A 85 -2.674 -13.866 10.184 1.00 0.00 C ATOM 1267 C GLY A 85 -1.847 -12.630 10.476 1.00 0.00 C ATOM 1268 O GLY A 85 -1.600 -12.300 11.637 1.00 0.00 O ATOM 0 H GLY A 85 -2.557 -15.586 11.374 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.844 -13.940 9.110 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.652 -13.765 10.655 1.00 0.00 H new ATOM 1272 N CYS A 86 -1.415 -11.947 9.422 1.00 0.00 N ATOM 1273 CA CYS A 86 -0.608 -10.741 9.571 1.00 0.00 C ATOM 1274 C CYS A 86 -1.161 -9.607 8.714 1.00 0.00 C ATOM 1275 O CYS A 86 -1.590 -9.823 7.580 1.00 0.00 O ATOM 1276 CB CYS A 86 0.845 -11.025 9.187 1.00 0.00 C ATOM 1277 SG CYS A 86 1.031 -12.106 7.749 1.00 0.00 S ATOM 0 H CYS A 86 -1.610 -12.207 8.455 1.00 0.00 H new ATOM 0 HA CYS A 86 -0.647 -10.434 10.616 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.348 -10.079 8.984 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.352 -11.480 10.038 1.00 0.00 H new ATOM 0 HG CYS A 86 1.107 -11.384 6.671 1.00 0.00 H new ATOM 1283 N LYS A 87 -1.149 -8.397 9.263 1.00 0.00 N ATOM 1284 CA LYS A 87 -1.649 -7.228 8.551 1.00 0.00 C ATOM 1285 C LYS A 87 -0.504 -6.450 7.910 1.00 0.00 C ATOM 1286 O LYS A 87 0.650 -6.577 8.318 1.00 0.00 O ATOM 1287 CB LYS A 87 -2.427 -6.318 9.504 1.00 0.00 C ATOM 1288 CG LYS A 87 -3.834 -6.808 9.801 1.00 0.00 C ATOM 1289 CD LYS A 87 -4.536 -5.911 10.806 1.00 0.00 C ATOM 1290 CE LYS A 87 -5.995 -6.306 10.981 1.00 0.00 C ATOM 1291 NZ LYS A 87 -6.645 -5.549 12.086 1.00 0.00 N ATOM 0 H LYS A 87 -0.798 -8.201 10.200 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.317 -7.573 7.762 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.876 -6.231 10.441 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.483 -5.318 9.073 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.411 -6.842 8.877 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.792 -7.826 10.188 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.024 -5.969 11.767 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.476 -4.874 10.475 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.534 -6.126 10.051 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.060 -7.375 11.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.638 -5.846 12.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.146 -5.740 12.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.606 -4.531 11.879 1.00 0.00 H new ATOM 1305 N PHE A 88 -0.832 -5.645 6.905 1.00 0.00 N ATOM 1306 CA PHE A 88 0.170 -4.846 6.208 1.00 0.00 C ATOM 1307 C PHE A 88 -0.423 -3.521 5.737 1.00 0.00 C ATOM 1308 O PHE A 88 -1.642 -3.352 5.699 1.00 0.00 O ATOM 1309 CB PHE A 88 0.729 -5.621 5.012 1.00 0.00 C ATOM 1310 CG PHE A 88 1.240 -6.987 5.369 1.00 0.00 C ATOM 1311 CD1 PHE A 88 0.371 -8.062 5.466 1.00 0.00 C ATOM 1312 CD2 PHE A 88 2.588 -7.197 5.608 1.00 0.00 C ATOM 1313 CE1 PHE A 88 0.837 -9.321 5.794 1.00 0.00 C ATOM 1314 CE2 PHE A 88 3.061 -8.454 5.936 1.00 0.00 C ATOM 1315 CZ PHE A 88 2.184 -9.517 6.030 1.00 0.00 C ATOM 0 H PHE A 88 -1.783 -5.528 6.555 1.00 0.00 H new ATOM 0 HA PHE A 88 0.980 -4.634 6.906 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.051 -5.719 4.257 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.538 -5.045 4.562 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.683 -7.914 5.283 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.278 -6.369 5.537 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.149 -10.151 5.866 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.115 -8.605 6.118 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.551 -10.500 6.288 1.00 0.00 H new ATOM 1325 N ARG A 89 0.449 -2.583 5.381 1.00 0.00 N ATOM 1326 CA ARG A 89 0.013 -1.272 4.915 1.00 0.00 C ATOM 1327 C ARG A 89 1.096 -0.608 4.070 1.00 0.00 C ATOM 1328 O ARG A 89 2.289 -0.756 4.341 1.00 0.00 O ATOM 1329 CB ARG A 89 -0.341 -0.377 6.104 1.00 0.00 C ATOM 1330 CG ARG A 89 0.821 -0.136 7.053 1.00 0.00 C ATOM 1331 CD ARG A 89 0.339 0.084 8.478 1.00 0.00 C ATOM 1332 NE ARG A 89 -0.117 1.454 8.697 1.00 0.00 N ATOM 1333 CZ ARG A 89 -0.307 1.982 9.901 1.00 0.00 C ATOM 1334 NH1 ARG A 89 -0.079 1.259 10.989 1.00 0.00 N ATOM 1335 NH2 ARG A 89 -0.724 3.236 10.018 1.00 0.00 N ATOM 0 H ARG A 89 1.461 -2.707 5.406 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.873 -1.410 4.296 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.700 0.583 5.731 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.163 -0.831 6.658 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.499 -0.989 7.024 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.389 0.733 6.721 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.474 -0.608 8.696 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.147 -0.144 9.173 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.300 2.037 7.881 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.243 0.295 10.903 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.226 1.667 11.912 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.899 3.795 9.183 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.870 3.641 10.943 1.00 0.00 H new ATOM 1349 N LEU A 90 0.674 0.123 3.044 1.00 0.00 N ATOM 1350 CA LEU A 90 1.607 0.809 2.158 1.00 0.00 C ATOM 1351 C LEU A 90 1.493 2.322 2.314 1.00 0.00 C ATOM 1352 O LEU A 90 0.406 2.852 2.545 1.00 0.00 O ATOM 1353 CB LEU A 90 1.345 0.414 0.704 1.00 0.00 C ATOM 1354 CG LEU A 90 2.341 0.947 -0.327 1.00 0.00 C ATOM 1355 CD1 LEU A 90 3.716 0.334 -0.108 1.00 0.00 C ATOM 1356 CD2 LEU A 90 1.849 0.667 -1.739 1.00 0.00 C ATOM 0 H LEU A 90 -0.309 0.256 2.805 1.00 0.00 H new ATOM 0 HA LEU A 90 2.618 0.509 2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.334 -0.674 0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.348 0.759 0.429 1.00 0.00 H new ATOM 0 HG LEU A 90 2.423 2.026 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.411 0.725 -0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.072 0.587 0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.651 -0.750 -0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.570 1.053 -2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.737 -0.408 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.886 1.155 -1.892 1.00 0.00 H new ATOM 1368 N SER A 91 2.622 3.012 2.184 1.00 0.00 N ATOM 1369 CA SER A 91 2.649 4.465 2.313 1.00 0.00 C ATOM 1370 C SER A 91 3.767 5.064 1.464 1.00 0.00 C ATOM 1371 O SER A 91 4.855 4.499 1.363 1.00 0.00 O ATOM 1372 CB SER A 91 2.835 4.865 3.778 1.00 0.00 C ATOM 1373 OG SER A 91 4.187 4.723 4.178 1.00 0.00 O ATOM 0 H SER A 91 3.529 2.589 1.990 1.00 0.00 H new ATOM 0 HA SER A 91 1.696 4.855 1.956 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.517 5.898 3.919 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.198 4.246 4.411 1.00 0.00 H new ATOM 0 HG SER A 91 4.222 4.387 5.098 1.00 0.00 H new ATOM 1379 N ALA A 92 3.488 6.213 0.857 1.00 0.00 N ATOM 1380 CA ALA A 92 4.469 6.891 0.019 1.00 0.00 C ATOM 1381 C ALA A 92 5.083 8.083 0.746 1.00 0.00 C ATOM 1382 O ALA A 92 4.370 8.896 1.335 1.00 0.00 O ATOM 1383 CB ALA A 92 3.828 7.340 -1.286 1.00 0.00 C ATOM 0 H ALA A 92 2.591 6.693 0.930 1.00 0.00 H new ATOM 0 HA ALA A 92 5.268 6.185 -0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.572 7.845 -1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.444 6.471 -1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.009 8.026 -1.072 1.00 0.00 H new ATOM 1389 N ARG A 93 6.407 8.179 0.702 1.00 0.00 N ATOM 1390 CA ARG A 93 7.116 9.271 1.359 1.00 0.00 C ATOM 1391 C ARG A 93 7.999 10.021 0.366 1.00 0.00 C ATOM 1392 O ARG A 93 8.787 9.415 -0.359 1.00 0.00 O ATOM 1393 CB ARG A 93 7.968 8.734 2.511 1.00 0.00 C ATOM 1394 CG ARG A 93 8.967 9.743 3.051 1.00 0.00 C ATOM 1395 CD ARG A 93 10.053 9.067 3.873 1.00 0.00 C ATOM 1396 NE ARG A 93 9.693 8.974 5.285 1.00 0.00 N ATOM 1397 CZ ARG A 93 9.489 10.032 6.063 1.00 0.00 C ATOM 1398 NH1 ARG A 93 9.609 11.256 5.567 1.00 0.00 N ATOM 1399 NH2 ARG A 93 9.164 9.866 7.338 1.00 0.00 N ATOM 0 H ARG A 93 7.011 7.514 0.219 1.00 0.00 H new ATOM 0 HA ARG A 93 6.375 9.965 1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 93 7.311 8.417 3.321 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.506 7.849 2.172 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.421 10.286 2.222 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.447 10.477 3.666 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.236 8.067 3.479 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.984 9.625 3.772 1.00 0.00 H new ATOM 0 HE ARG A 93 9.593 8.046 5.697 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.858 11.387 4.587 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.452 12.067 6.166 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.070 8.926 7.722 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.008 10.679 7.934 1.00 0.00 H new ATOM 1413 N ASN A 94 7.861 11.342 0.340 1.00 0.00 N ATOM 1414 CA ASN A 94 8.645 12.175 -0.564 1.00 0.00 C ATOM 1415 C ASN A 94 9.462 13.203 0.213 1.00 0.00 C ATOM 1416 O ASN A 94 9.478 13.196 1.444 1.00 0.00 O ATOM 1417 CB ASN A 94 7.728 12.885 -1.562 1.00 0.00 C ATOM 1418 CG ASN A 94 6.725 13.796 -0.879 1.00 0.00 C ATOM 1419 OD1 ASN A 94 6.801 14.025 0.328 1.00 0.00 O ATOM 1420 ND2 ASN A 94 5.780 14.319 -1.651 1.00 0.00 N ATOM 0 H ASN A 94 7.213 11.859 0.935 1.00 0.00 H new ATOM 0 HA ASN A 94 9.332 11.528 -1.109 1.00 0.00 H new ATOM 0 HB2 ASN A 94 8.333 13.470 -2.255 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.195 12.141 -2.154 1.00 0.00 H new ATOM 0 HD21 ASN A 94 5.078 14.939 -1.248 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.756 14.101 -2.647 1.00 0.00 H new ATOM 1427 N ASP A 95 10.137 14.086 -0.514 1.00 0.00 N ATOM 1428 CA ASP A 95 10.955 15.122 0.107 1.00 0.00 C ATOM 1429 C ASP A 95 10.240 15.730 1.310 1.00 0.00 C ATOM 1430 O ASP A 95 10.873 16.089 2.304 1.00 0.00 O ATOM 1431 CB ASP A 95 11.289 16.215 -0.909 1.00 0.00 C ATOM 1432 CG ASP A 95 12.007 17.392 -0.279 1.00 0.00 C ATOM 1433 OD1 ASP A 95 13.110 17.190 0.270 1.00 0.00 O ATOM 1434 OD2 ASP A 95 11.465 18.516 -0.334 1.00 0.00 O ATOM 0 H ASP A 95 10.134 14.106 -1.534 1.00 0.00 H new ATOM 0 HA ASP A 95 11.881 14.662 0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.911 15.794 -1.699 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.369 16.563 -1.379 1.00 0.00 H new ATOM 1439 N TYR A 96 8.921 15.843 1.213 1.00 0.00 N ATOM 1440 CA TYR A 96 8.121 16.411 2.291 1.00 0.00 C ATOM 1441 C TYR A 96 8.060 15.460 3.483 1.00 0.00 C ATOM 1442 O TYR A 96 8.632 15.731 4.538 1.00 0.00 O ATOM 1443 CB TYR A 96 6.706 16.719 1.798 1.00 0.00 C ATOM 1444 CG TYR A 96 6.668 17.673 0.626 1.00 0.00 C ATOM 1445 CD1 TYR A 96 6.753 17.206 -0.680 1.00 0.00 C ATOM 1446 CD2 TYR A 96 6.545 19.043 0.825 1.00 0.00 C ATOM 1447 CE1 TYR A 96 6.719 18.075 -1.753 1.00 0.00 C ATOM 1448 CE2 TYR A 96 6.509 19.920 -0.243 1.00 0.00 C ATOM 1449 CZ TYR A 96 6.597 19.431 -1.529 1.00 0.00 C ATOM 1450 OH TYR A 96 6.562 20.300 -2.596 1.00 0.00 O ATOM 0 H TYR A 96 8.382 15.549 0.398 1.00 0.00 H new ATOM 0 HA TYR A 96 8.596 17.338 2.612 1.00 0.00 H new ATOM 0 HB2 TYR A 96 6.219 15.787 1.513 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.128 17.143 2.619 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.847 16.145 -0.859 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.476 19.429 1.831 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.788 17.695 -2.762 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.413 20.982 -0.071 1.00 0.00 H new ATOM 0 HH TYR A 96 6.472 21.219 -2.267 1.00 0.00 H new ATOM 1460 N GLY A 97 7.361 14.343 3.305 1.00 0.00 N ATOM 1461 CA GLY A 97 7.238 13.367 4.373 1.00 0.00 C ATOM 1462 C GLY A 97 6.469 12.133 3.945 1.00 0.00 C ATOM 1463 O GLY A 97 6.159 11.963 2.765 1.00 0.00 O ATOM 0 H GLY A 97 6.878 14.096 2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.232 13.073 4.709 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.737 13.826 5.225 1.00 0.00 H new ATOM 1467 N THR A 98 6.161 11.267 4.905 1.00 0.00 N ATOM 1468 CA THR A 98 5.426 10.041 4.622 1.00 0.00 C ATOM 1469 C THR A 98 3.921 10.272 4.698 1.00 0.00 C ATOM 1470 O THR A 98 3.391 10.627 5.751 1.00 0.00 O ATOM 1471 CB THR A 98 5.812 8.916 5.600 1.00 0.00 C ATOM 1472 OG1 THR A 98 7.225 8.689 5.553 1.00 0.00 O ATOM 1473 CG2 THR A 98 5.075 7.628 5.262 1.00 0.00 C ATOM 0 H THR A 98 6.410 11.392 5.886 1.00 0.00 H new ATOM 0 HA THR A 98 5.693 9.739 3.609 1.00 0.00 H new ATOM 0 HB THR A 98 5.527 9.226 6.606 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.462 7.973 6.179 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.364 6.848 5.966 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.000 7.796 5.327 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.333 7.316 4.250 1.00 0.00 H new ATOM 1481 N SER A 99 3.238 10.066 3.577 1.00 0.00 N ATOM 1482 CA SER A 99 1.793 10.255 3.517 1.00 0.00 C ATOM 1483 C SER A 99 1.065 9.096 4.192 1.00 0.00 C ATOM 1484 O SER A 99 1.562 7.971 4.226 1.00 0.00 O ATOM 1485 CB SER A 99 1.334 10.382 2.063 1.00 0.00 C ATOM 1486 OG SER A 99 1.301 9.116 1.426 1.00 0.00 O ATOM 0 H SER A 99 3.661 9.768 2.698 1.00 0.00 H new ATOM 0 HA SER A 99 1.549 11.174 4.049 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.343 10.835 2.029 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.007 11.047 1.523 1.00 0.00 H new ATOM 0 HG SER A 99 2.217 8.810 1.258 1.00 0.00 H new ATOM 1492 N GLY A 100 -0.117 9.381 4.730 1.00 0.00 N ATOM 1493 CA GLY A 100 -0.895 8.354 5.398 1.00 0.00 C ATOM 1494 C GLY A 100 -0.729 6.991 4.755 1.00 0.00 C ATOM 1495 O GLY A 100 -0.622 6.882 3.534 1.00 0.00 O ATOM 0 H GLY A 100 -0.550 10.305 4.715 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.595 8.298 6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.948 8.633 5.383 1.00 0.00 H new ATOM 1499 N PHE A 101 -0.706 5.949 5.580 1.00 0.00 N ATOM 1500 CA PHE A 101 -0.548 4.587 5.085 1.00 0.00 C ATOM 1501 C PHE A 101 -1.834 4.096 4.424 1.00 0.00 C ATOM 1502 O PHE A 101 -2.865 4.767 4.474 1.00 0.00 O ATOM 1503 CB PHE A 101 -0.160 3.648 6.229 1.00 0.00 C ATOM 1504 CG PHE A 101 1.134 4.019 6.895 1.00 0.00 C ATOM 1505 CD1 PHE A 101 1.185 5.063 7.805 1.00 0.00 C ATOM 1506 CD2 PHE A 101 2.299 3.325 6.612 1.00 0.00 C ATOM 1507 CE1 PHE A 101 2.374 5.407 8.421 1.00 0.00 C ATOM 1508 CE2 PHE A 101 3.490 3.664 7.225 1.00 0.00 C ATOM 1509 CZ PHE A 101 3.528 4.707 8.130 1.00 0.00 C ATOM 0 H PHE A 101 -0.795 6.022 6.593 1.00 0.00 H new ATOM 0 HA PHE A 101 0.247 4.588 4.339 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.956 3.647 6.974 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.083 2.631 5.844 1.00 0.00 H new ATOM 0 HD1 PHE A 101 0.285 5.614 8.036 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.276 2.510 5.904 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.400 6.222 9.129 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.391 3.114 6.997 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.458 4.974 8.609 1.00 0.00 H new ATOM 1519 N SER A 102 -1.763 2.922 3.805 1.00 0.00 N ATOM 1520 CA SER A 102 -2.919 2.344 3.130 1.00 0.00 C ATOM 1521 C SER A 102 -3.792 1.571 4.114 1.00 0.00 C ATOM 1522 O SER A 102 -3.374 1.281 5.234 1.00 0.00 O ATOM 1523 CB SER A 102 -2.465 1.419 1.999 1.00 0.00 C ATOM 1524 OG SER A 102 -2.069 0.154 2.501 1.00 0.00 O ATOM 0 H SER A 102 -0.918 2.353 3.757 1.00 0.00 H new ATOM 0 HA SER A 102 -3.509 3.159 2.710 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.276 1.291 1.282 1.00 0.00 H new ATOM 0 HB3 SER A 102 -1.634 1.877 1.462 1.00 0.00 H new ATOM 0 HG SER A 102 -2.797 -0.490 2.376 1.00 0.00 H new ATOM 1530 N GLU A 103 -5.007 1.243 3.685 1.00 0.00 N ATOM 1531 CA GLU A 103 -5.940 0.505 4.529 1.00 0.00 C ATOM 1532 C GLU A 103 -5.319 -0.802 5.013 1.00 0.00 C ATOM 1533 O GLU A 103 -4.712 -1.538 4.236 1.00 0.00 O ATOM 1534 CB GLU A 103 -7.233 0.215 3.765 1.00 0.00 C ATOM 1535 CG GLU A 103 -8.252 1.340 3.845 1.00 0.00 C ATOM 1536 CD GLU A 103 -9.426 1.131 2.908 1.00 0.00 C ATOM 1537 OE1 GLU A 103 -10.215 0.193 3.144 1.00 0.00 O ATOM 1538 OE2 GLU A 103 -9.556 1.907 1.938 1.00 0.00 O ATOM 0 H GLU A 103 -5.368 1.476 2.760 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.170 1.122 5.398 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.993 0.027 2.719 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.680 -0.698 4.158 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.619 1.421 4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.764 2.285 3.605 1.00 0.00 H new ATOM 1545 N GLU A 104 -5.475 -1.083 6.303 1.00 0.00 N ATOM 1546 CA GLU A 104 -4.929 -2.300 6.891 1.00 0.00 C ATOM 1547 C GLU A 104 -5.498 -3.539 6.206 1.00 0.00 C ATOM 1548 O GLU A 104 -6.711 -3.753 6.194 1.00 0.00 O ATOM 1549 CB GLU A 104 -5.231 -2.349 8.391 1.00 0.00 C ATOM 1550 CG GLU A 104 -4.666 -1.169 9.164 1.00 0.00 C ATOM 1551 CD GLU A 104 -3.182 -1.311 9.442 1.00 0.00 C ATOM 1552 OE1 GLU A 104 -2.495 -1.999 8.658 1.00 0.00 O ATOM 1553 OE2 GLU A 104 -2.707 -0.735 10.443 1.00 0.00 O ATOM 0 H GLU A 104 -5.975 -0.484 6.960 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.849 -2.290 6.745 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.311 -2.383 8.535 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.825 -3.272 8.805 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.840 -0.253 8.600 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.201 -1.068 10.108 1.00 0.00 H new ATOM 1560 N VAL A 105 -4.615 -4.351 5.635 1.00 0.00 N ATOM 1561 CA VAL A 105 -5.028 -5.569 4.948 1.00 0.00 C ATOM 1562 C VAL A 105 -4.569 -6.810 5.705 1.00 0.00 C ATOM 1563 O VAL A 105 -3.374 -7.006 5.932 1.00 0.00 O ATOM 1564 CB VAL A 105 -4.470 -5.620 3.513 1.00 0.00 C ATOM 1565 CG1 VAL A 105 -5.052 -4.495 2.673 1.00 0.00 C ATOM 1566 CG2 VAL A 105 -2.950 -5.552 3.530 1.00 0.00 C ATOM 0 H VAL A 105 -3.608 -4.188 5.634 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.117 -5.555 4.906 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.764 -6.567 3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.646 -4.548 1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.137 -4.594 2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.791 -3.535 3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.573 -5.589 2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.633 -4.621 4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.554 -6.397 4.094 1.00 0.00 H new ATOM 1576 N LEU A 106 -5.525 -7.646 6.094 1.00 0.00 N ATOM 1577 CA LEU A 106 -5.220 -8.870 6.826 1.00 0.00 C ATOM 1578 C LEU A 106 -4.997 -10.036 5.868 1.00 0.00 C ATOM 1579 O LEU A 106 -5.828 -10.308 5.000 1.00 0.00 O ATOM 1580 CB LEU A 106 -6.353 -9.203 7.798 1.00 0.00 C ATOM 1581 CG LEU A 106 -6.217 -10.521 8.562 1.00 0.00 C ATOM 1582 CD1 LEU A 106 -4.980 -10.500 9.446 1.00 0.00 C ATOM 1583 CD2 LEU A 106 -7.465 -10.787 9.392 1.00 0.00 C ATOM 0 H LEU A 106 -6.518 -7.499 5.915 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.302 -8.707 7.391 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.433 -8.393 8.523 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.289 -9.225 7.240 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.107 -11.329 7.839 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.900 -11.446 9.982 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.094 -10.357 8.828 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.059 -9.683 10.163 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.351 -11.729 9.929 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.606 -9.976 10.107 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.333 -10.847 8.735 1.00 0.00 H new ATOM 1595 N TYR A 107 -3.872 -10.724 6.032 1.00 0.00 N ATOM 1596 CA TYR A 107 -3.540 -11.861 5.182 1.00 0.00 C ATOM 1597 C TYR A 107 -3.154 -13.074 6.022 1.00 0.00 C ATOM 1598 O TYR A 107 -2.651 -12.937 7.138 1.00 0.00 O ATOM 1599 CB TYR A 107 -2.397 -11.498 4.234 1.00 0.00 C ATOM 1600 CG TYR A 107 -2.846 -10.736 3.007 1.00 0.00 C ATOM 1601 CD1 TYR A 107 -3.484 -11.385 1.958 1.00 0.00 C ATOM 1602 CD2 TYR A 107 -2.630 -9.368 2.897 1.00 0.00 C ATOM 1603 CE1 TYR A 107 -3.896 -10.694 0.835 1.00 0.00 C ATOM 1604 CE2 TYR A 107 -3.040 -8.668 1.779 1.00 0.00 C ATOM 1605 CZ TYR A 107 -3.672 -9.335 0.750 1.00 0.00 C ATOM 1606 OH TYR A 107 -4.080 -8.642 -0.366 1.00 0.00 O ATOM 0 H TYR A 107 -3.175 -10.514 6.746 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.423 -12.115 4.595 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.664 -10.900 4.775 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -1.893 -12.412 3.920 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -3.661 -12.448 2.021 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -2.133 -8.843 3.699 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.391 -11.214 0.028 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.867 -7.604 1.711 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.777 -7.712 -0.302 1.00 0.00 H new ATOM 1616 N TYR A 108 -3.392 -14.262 5.477 1.00 0.00 N ATOM 1617 CA TYR A 108 -3.071 -15.501 6.176 1.00 0.00 C ATOM 1618 C TYR A 108 -2.253 -16.432 5.286 1.00 0.00 C ATOM 1619 O TYR A 108 -2.715 -16.870 4.232 1.00 0.00 O ATOM 1620 CB TYR A 108 -4.353 -16.205 6.625 1.00 0.00 C ATOM 1621 CG TYR A 108 -4.805 -15.811 8.013 1.00 0.00 C ATOM 1622 CD1 TYR A 108 -5.427 -14.589 8.242 1.00 0.00 C ATOM 1623 CD2 TYR A 108 -4.610 -16.659 9.096 1.00 0.00 C ATOM 1624 CE1 TYR A 108 -5.841 -14.224 9.508 1.00 0.00 C ATOM 1625 CE2 TYR A 108 -5.022 -16.303 10.365 1.00 0.00 C ATOM 1626 CZ TYR A 108 -5.637 -15.085 10.567 1.00 0.00 C ATOM 1627 OH TYR A 108 -6.047 -14.726 11.830 1.00 0.00 O ATOM 0 H TYR A 108 -3.806 -14.393 4.554 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.476 -15.249 7.054 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.149 -15.980 5.915 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.195 -17.283 6.596 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -5.589 -13.913 7.415 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -4.128 -17.613 8.943 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.322 -13.270 9.668 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.863 -16.975 11.195 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.830 -15.444 12.461 1.00 0.00 H new ATOM 1637 N THR A 109 -1.032 -16.731 5.719 1.00 0.00 N ATOM 1638 CA THR A 109 -0.147 -17.609 4.963 1.00 0.00 C ATOM 1639 C THR A 109 -0.917 -18.776 4.356 1.00 0.00 C ATOM 1640 O THR A 109 -1.993 -19.136 4.833 1.00 0.00 O ATOM 1641 CB THR A 109 0.986 -18.161 5.849 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.437 -18.787 7.013 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.938 -17.050 6.265 1.00 0.00 C ATOM 0 H THR A 109 -0.634 -16.378 6.589 1.00 0.00 H new ATOM 0 HA THR A 109 0.286 -17.009 4.163 1.00 0.00 H new ATOM 0 HB THR A 109 1.544 -18.897 5.270 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.093 -18.757 7.741 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.729 -17.464 6.890 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.377 -16.596 5.377 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.391 -16.293 6.827 1.00 0.00 H new ATOM 1651 N SER A 110 -0.359 -19.363 3.302 1.00 0.00 N ATOM 1652 CA SER A 110 -0.995 -20.488 2.628 1.00 0.00 C ATOM 1653 C SER A 110 -1.276 -21.622 3.610 1.00 0.00 C ATOM 1654 O SER A 110 -2.073 -22.517 3.331 1.00 0.00 O ATOM 1655 CB SER A 110 -0.110 -20.994 1.487 1.00 0.00 C ATOM 1656 OG SER A 110 -0.824 -21.877 0.641 1.00 0.00 O ATOM 0 H SER A 110 0.532 -19.078 2.897 1.00 0.00 H new ATOM 0 HA SER A 110 -1.944 -20.143 2.217 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.259 -20.148 0.907 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.762 -21.504 1.897 1.00 0.00 H new ATOM 0 HG SER A 110 -0.237 -22.185 -0.081 1.00 0.00 H new