USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 821 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 87 THR OG1 : rot 88:sc= 1.29 USER MOD Set 1.2: A 92 TYR OH : rot 30:sc= 1.05 USER MOD Set 2.1: A 36 THR OG1 : rot 180:sc= -0.902 USER MOD Set 2.2: A 84 GLN : amide:sc= 0 X(o=-0.9,f=-1.2) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -123:sc= 0 (180deg=-1.15) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 29 SER OG : rot 26:sc= 0.0612 USER MOD Single : A 30 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0495) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 146:sc= 0.323 (180deg=0.0307) USER MOD Single : A 40 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.018) USER MOD Single : A 42 GLN : amide:sc= -3.38! C(o=-3.4!,f=-2.9!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.16) USER MOD Single : A 50 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.011) USER MOD Single : A 52 THR OG1 : rot 180:sc=-0.000406 USER MOD Single : A 54 TYR OH : rot 0:sc= -0.92 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.0137 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.199 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.44 K(o=-0.44,f=-2.1) USER MOD Single : A 67 HIS : no HD1:sc= -3.81! K(o=-3.8!,f=-1.9) USER MOD Single : A 77 ASN : amide:sc= -1.2! K(o=-1.2!,f=-0.0028) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= 0.81 K(o=0.81,f=-3.3!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 72:sc= 1.24 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -135:sc= 1.61 (180deg=0.272) USER MOD Single : A 97 GLN : amide:sc= -2.28! C(o=-2.3!,f=-7.1!) USER MOD Single : A 100 ASN : amide:sc= -0.882 K(o=-0.88,f=-9.4!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl 148:sc= -0.106 (180deg=-2.02) USER MOD Single : A 108 SER OG : rot 170:sc= 0.0716 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 115 THR OG1 : rot -168:sc= 0.693 USER MOD Single : A 117 LYS NZ :NH3+ -132:sc= -0.34 (180deg=-2.52!) USER MOD ----------------------------------------------------------------- ATOM 178 N LEU A 16 -22.721 -4.834 -3.673 1.00 0.00 N ATOM 179 CA LEU A 16 -21.890 -5.503 -4.668 1.00 0.00 C ATOM 180 C LEU A 16 -20.459 -4.977 -4.626 1.00 0.00 C ATOM 181 O LEU A 16 -20.200 -3.823 -4.969 1.00 0.00 O ATOM 182 CB LEU A 16 -22.477 -5.305 -6.067 1.00 0.00 C ATOM 183 CG LEU A 16 -23.816 -5.993 -6.337 1.00 0.00 C ATOM 184 CD1 LEU A 16 -24.966 -5.141 -5.823 1.00 0.00 C ATOM 185 CD2 LEU A 16 -23.980 -6.275 -7.823 1.00 0.00 C ATOM 0 HA LEU A 16 -21.873 -6.568 -4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -22.599 -4.236 -6.240 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -21.753 -5.665 -6.797 1.00 0.00 H new ATOM 0 HG LEU A 16 -23.829 -6.944 -5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -25.911 -5.646 -6.024 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -24.856 -4.991 -4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -24.957 -4.175 -6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -24.938 -6.765 -7.997 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -23.946 -5.337 -8.377 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -23.173 -6.926 -8.161 1.00 0.00 H new ATOM 197 N VAL A 17 -19.532 -5.831 -4.204 1.00 0.00 N ATOM 198 CA VAL A 17 -18.127 -5.453 -4.119 1.00 0.00 C ATOM 199 C VAL A 17 -17.677 -4.723 -5.380 1.00 0.00 C ATOM 200 O VAL A 17 -18.234 -4.903 -6.463 1.00 0.00 O ATOM 201 CB VAL A 17 -17.227 -6.685 -3.904 1.00 0.00 C ATOM 202 CG1 VAL A 17 -17.382 -7.219 -2.488 1.00 0.00 C ATOM 203 CG2 VAL A 17 -17.547 -7.764 -4.928 1.00 0.00 C ATOM 0 H VAL A 17 -19.729 -6.789 -3.916 1.00 0.00 H new ATOM 0 HA VAL A 17 -18.030 -4.786 -3.262 1.00 0.00 H new ATOM 0 HB VAL A 17 -16.189 -6.383 -4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -16.739 -8.089 -2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.098 -6.445 -1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -18.420 -7.506 -2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -16.902 -8.627 -4.761 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -18.590 -8.065 -4.825 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.379 -7.374 -5.932 1.00 0.00 H new ATOM 213 N PRO A 18 -16.645 -3.879 -5.238 1.00 0.00 N ATOM 214 CA PRO A 18 -16.096 -3.105 -6.356 1.00 0.00 C ATOM 215 C PRO A 18 -15.366 -3.983 -7.366 1.00 0.00 C ATOM 216 O PRO A 18 -14.262 -4.462 -7.105 1.00 0.00 O ATOM 217 CB PRO A 18 -15.117 -2.145 -5.675 1.00 0.00 C ATOM 218 CG PRO A 18 -14.724 -2.835 -4.414 1.00 0.00 C ATOM 219 CD PRO A 18 -15.933 -3.615 -3.976 1.00 0.00 C ATOM 0 HA PRO A 18 -16.877 -2.604 -6.928 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.250 -1.950 -6.306 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.585 -1.182 -5.470 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.872 -3.495 -4.579 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.426 -2.115 -3.651 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.653 -4.540 -3.471 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.548 -3.045 -3.279 1.00 0.00 H new ATOM 227 N THR A 19 -15.989 -4.191 -8.522 1.00 0.00 N ATOM 228 CA THR A 19 -15.399 -5.012 -9.572 1.00 0.00 C ATOM 229 C THR A 19 -14.452 -4.194 -10.443 1.00 0.00 C ATOM 230 O THR A 19 -14.178 -4.555 -11.587 1.00 0.00 O ATOM 231 CB THR A 19 -16.482 -5.646 -10.465 1.00 0.00 C ATOM 232 OG1 THR A 19 -17.101 -4.639 -11.273 1.00 0.00 O ATOM 233 CG2 THR A 19 -17.536 -6.346 -9.622 1.00 0.00 C ATOM 0 H THR A 19 -16.903 -3.802 -8.755 1.00 0.00 H new ATOM 0 HA THR A 19 -14.838 -5.804 -9.076 1.00 0.00 H new ATOM 0 HB THR A 19 -16.005 -6.385 -11.109 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.787 -5.050 -11.839 1.00 0.00 H new ATOM 0 HG21 THR A 19 -18.290 -6.786 -10.274 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.066 -7.131 -9.030 1.00 0.00 H new ATOM 0 HG23 THR A 19 -18.009 -5.623 -8.957 1.00 0.00 H new ATOM 241 N SER A 20 -13.955 -3.090 -9.894 1.00 0.00 N ATOM 242 CA SER A 20 -13.041 -2.218 -10.623 1.00 0.00 C ATOM 243 C SER A 20 -11.870 -1.799 -9.740 1.00 0.00 C ATOM 244 O SER A 20 -12.027 -1.502 -8.556 1.00 0.00 O ATOM 245 CB SER A 20 -13.781 -0.979 -11.132 1.00 0.00 C ATOM 246 OG SER A 20 -14.493 -1.264 -12.323 1.00 0.00 O ATOM 0 H SER A 20 -14.170 -2.778 -8.947 1.00 0.00 H new ATOM 0 HA SER A 20 -12.650 -2.774 -11.475 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.472 -0.625 -10.367 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.068 -0.175 -11.314 1.00 0.00 H new ATOM 0 HG SER A 20 -14.959 -0.457 -12.627 1.00 0.00 H new ATOM 252 N PRO A 21 -10.665 -1.774 -10.329 1.00 0.00 N ATOM 253 CA PRO A 21 -9.443 -1.392 -9.616 1.00 0.00 C ATOM 254 C PRO A 21 -9.414 0.093 -9.270 1.00 0.00 C ATOM 255 O PRO A 21 -10.220 0.885 -9.758 1.00 0.00 O ATOM 256 CB PRO A 21 -8.331 -1.731 -10.611 1.00 0.00 C ATOM 257 CG PRO A 21 -8.985 -1.664 -11.948 1.00 0.00 C ATOM 258 CD PRO A 21 -10.404 -2.116 -11.738 1.00 0.00 C ATOM 0 HA PRO A 21 -9.350 -1.908 -8.660 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.505 -1.023 -10.538 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.919 -2.722 -10.421 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.953 -0.650 -12.348 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.473 -2.305 -12.665 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.093 -1.604 -12.410 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.517 -3.185 -11.920 1.00 0.00 H new ATOM 266 N PRO A 22 -8.462 0.482 -8.408 1.00 0.00 N ATOM 267 CA PRO A 22 -8.304 1.874 -7.979 1.00 0.00 C ATOM 268 C PRO A 22 -7.793 2.772 -9.100 1.00 0.00 C ATOM 269 O PRO A 22 -7.526 2.308 -10.208 1.00 0.00 O ATOM 270 CB PRO A 22 -7.271 1.783 -6.853 1.00 0.00 C ATOM 271 CG PRO A 22 -6.496 0.546 -7.150 1.00 0.00 C ATOM 272 CD PRO A 22 -7.467 -0.408 -7.787 1.00 0.00 C ATOM 0 HA PRO A 22 -9.252 2.316 -7.672 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.625 2.661 -6.836 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.753 1.724 -5.877 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.662 0.759 -7.819 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -6.073 0.122 -6.239 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.980 -1.044 -8.526 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.923 -1.069 -7.050 1.00 0.00 H new ATOM 280 N LYS A 23 -7.659 4.061 -8.805 1.00 0.00 N ATOM 281 CA LYS A 23 -7.178 5.025 -9.787 1.00 0.00 C ATOM 282 C LYS A 23 -6.179 5.991 -9.158 1.00 0.00 C ATOM 283 O LYS A 23 -5.821 5.853 -7.988 1.00 0.00 O ATOM 284 CB LYS A 23 -8.352 5.805 -10.384 1.00 0.00 C ATOM 285 CG LYS A 23 -9.556 4.938 -10.709 1.00 0.00 C ATOM 286 CD LYS A 23 -10.544 5.669 -11.602 1.00 0.00 C ATOM 287 CE LYS A 23 -11.374 6.670 -10.813 1.00 0.00 C ATOM 288 NZ LYS A 23 -12.558 7.140 -11.584 1.00 0.00 N ATOM 0 H LYS A 23 -7.877 4.462 -7.893 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.673 4.475 -10.582 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.654 6.583 -9.683 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.020 6.306 -11.293 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.225 4.024 -11.203 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.051 4.640 -9.785 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.005 6.187 -12.395 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.204 4.947 -12.084 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.706 6.212 -9.881 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.753 7.525 -10.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.530 8.176 -11.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.543 6.718 -12.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.428 6.855 -11.092 1.00 0.00 H new ATOM 302 N ASP A 24 -5.735 6.969 -9.940 1.00 0.00 N ATOM 303 CA ASP A 24 -4.780 7.959 -9.458 1.00 0.00 C ATOM 304 C ASP A 24 -3.645 7.291 -8.688 1.00 0.00 C ATOM 305 O ASP A 24 -3.118 7.852 -7.727 1.00 0.00 O ATOM 306 CB ASP A 24 -5.482 8.985 -8.567 1.00 0.00 C ATOM 307 CG ASP A 24 -6.173 10.071 -9.368 1.00 0.00 C ATOM 308 OD1 ASP A 24 -5.481 11.009 -9.816 1.00 0.00 O ATOM 309 OD2 ASP A 24 -7.406 9.984 -9.547 1.00 0.00 O ATOM 0 H ASP A 24 -6.021 7.097 -10.911 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.357 8.469 -10.323 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.216 8.477 -7.941 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.752 9.440 -7.897 1.00 0.00 H new ATOM 314 N VAL A 25 -3.275 6.088 -9.115 1.00 0.00 N ATOM 315 CA VAL A 25 -2.203 5.342 -8.466 1.00 0.00 C ATOM 316 C VAL A 25 -0.855 6.023 -8.676 1.00 0.00 C ATOM 317 O VAL A 25 -0.359 6.112 -9.799 1.00 0.00 O ATOM 318 CB VAL A 25 -2.124 3.898 -8.996 1.00 0.00 C ATOM 319 CG1 VAL A 25 -0.928 3.175 -8.397 1.00 0.00 C ATOM 320 CG2 VAL A 25 -3.414 3.150 -8.696 1.00 0.00 C ATOM 0 H VAL A 25 -3.702 5.609 -9.908 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.433 5.318 -7.401 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.994 3.932 -10.078 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.888 2.156 -8.783 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.012 3.701 -8.667 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.025 3.148 -7.312 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.341 2.131 -9.077 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.577 3.123 -7.619 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.250 3.658 -9.177 1.00 0.00 H new ATOM 330 N THR A 26 -0.266 6.504 -7.585 1.00 0.00 N ATOM 331 CA THR A 26 1.025 7.177 -7.648 1.00 0.00 C ATOM 332 C THR A 26 1.905 6.793 -6.464 1.00 0.00 C ATOM 333 O THR A 26 1.412 6.574 -5.358 1.00 0.00 O ATOM 334 CB THR A 26 0.859 8.709 -7.674 1.00 0.00 C ATOM 335 OG1 THR A 26 -0.084 9.116 -6.676 1.00 0.00 O ATOM 336 CG2 THR A 26 0.390 9.179 -9.043 1.00 0.00 C ATOM 0 H THR A 26 -0.663 6.440 -6.648 1.00 0.00 H new ATOM 0 HA THR A 26 1.504 6.854 -8.572 1.00 0.00 H new ATOM 0 HB THR A 26 1.828 9.161 -7.464 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.183 10.091 -6.698 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.280 10.263 -9.037 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.123 8.893 -9.797 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.570 8.718 -9.277 1.00 0.00 H new ATOM 344 N VAL A 27 3.210 6.713 -6.704 1.00 0.00 N ATOM 345 CA VAL A 27 4.159 6.357 -5.656 1.00 0.00 C ATOM 346 C VAL A 27 5.310 7.354 -5.595 1.00 0.00 C ATOM 347 O VAL A 27 6.064 7.508 -6.556 1.00 0.00 O ATOM 348 CB VAL A 27 4.730 4.943 -5.873 1.00 0.00 C ATOM 349 CG1 VAL A 27 5.499 4.483 -4.644 1.00 0.00 C ATOM 350 CG2 VAL A 27 3.615 3.965 -6.212 1.00 0.00 C ATOM 0 H VAL A 27 3.634 6.890 -7.615 1.00 0.00 H new ATOM 0 HA VAL A 27 3.613 6.380 -4.713 1.00 0.00 H new ATOM 0 HB VAL A 27 5.423 4.975 -6.714 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.895 3.482 -4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.322 5.171 -4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.832 4.466 -3.782 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.036 2.971 -6.362 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.896 3.935 -5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.113 4.288 -7.124 1.00 0.00 H new ATOM 360 N VAL A 28 5.441 8.030 -4.458 1.00 0.00 N ATOM 361 CA VAL A 28 6.501 9.012 -4.269 1.00 0.00 C ATOM 362 C VAL A 28 7.360 8.669 -3.057 1.00 0.00 C ATOM 363 O VAL A 28 6.988 7.827 -2.239 1.00 0.00 O ATOM 364 CB VAL A 28 5.928 10.431 -4.094 1.00 0.00 C ATOM 365 CG1 VAL A 28 5.159 10.854 -5.336 1.00 0.00 C ATOM 366 CG2 VAL A 28 5.042 10.498 -2.859 1.00 0.00 C ATOM 0 H VAL A 28 4.825 7.915 -3.653 1.00 0.00 H new ATOM 0 HA VAL A 28 7.119 8.986 -5.167 1.00 0.00 H new ATOM 0 HB VAL A 28 6.757 11.125 -3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.762 11.859 -5.193 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.827 10.847 -6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.336 10.160 -5.509 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.645 11.507 -2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.217 9.793 -2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.628 10.241 -1.976 1.00 0.00 H new ATOM 376 N SER A 29 8.509 9.327 -2.947 1.00 0.00 N ATOM 377 CA SER A 29 9.423 9.089 -1.836 1.00 0.00 C ATOM 378 C SER A 29 9.580 10.345 -0.984 1.00 0.00 C ATOM 379 O SER A 29 9.843 11.431 -1.500 1.00 0.00 O ATOM 380 CB SER A 29 10.789 8.639 -2.358 1.00 0.00 C ATOM 381 OG SER A 29 11.292 9.550 -3.320 1.00 0.00 O ATOM 0 H SER A 29 8.829 10.029 -3.614 1.00 0.00 H new ATOM 0 HA SER A 29 9.002 8.299 -1.214 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.490 8.558 -1.528 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.704 7.647 -2.802 1.00 0.00 H new ATOM 0 HG SER A 29 10.909 10.438 -3.161 1.00 0.00 H new ATOM 387 N LYS A 30 9.416 10.188 0.326 1.00 0.00 N ATOM 388 CA LYS A 30 9.541 11.307 1.252 1.00 0.00 C ATOM 389 C LYS A 30 10.804 12.113 0.966 1.00 0.00 C ATOM 390 O LYS A 30 11.789 11.579 0.457 1.00 0.00 O ATOM 391 CB LYS A 30 9.563 10.800 2.696 1.00 0.00 C ATOM 392 CG LYS A 30 9.346 11.894 3.728 1.00 0.00 C ATOM 393 CD LYS A 30 7.880 12.022 4.105 1.00 0.00 C ATOM 394 CE LYS A 30 7.712 12.584 5.508 1.00 0.00 C ATOM 395 NZ LYS A 30 8.351 13.922 5.650 1.00 0.00 N ATOM 0 H LYS A 30 9.196 9.296 0.770 1.00 0.00 H new ATOM 0 HA LYS A 30 8.678 11.958 1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.791 10.040 2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.521 10.316 2.888 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.934 11.676 4.619 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.705 12.844 3.333 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.375 12.670 3.389 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.401 11.045 4.044 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.651 12.662 5.743 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.149 11.894 6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.073 14.345 6.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.385 13.818 5.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.041 14.539 4.872 1.00 0.00 H new ATOM 409 N GLU A 31 10.768 13.400 1.298 1.00 0.00 N ATOM 410 CA GLU A 31 11.911 14.277 1.077 1.00 0.00 C ATOM 411 C GLU A 31 12.850 14.261 2.279 1.00 0.00 C ATOM 412 O GLU A 31 14.044 14.528 2.151 1.00 0.00 O ATOM 413 CB GLU A 31 11.439 15.707 0.804 1.00 0.00 C ATOM 414 CG GLU A 31 12.545 16.743 0.907 1.00 0.00 C ATOM 415 CD GLU A 31 12.750 17.239 2.326 1.00 0.00 C ATOM 416 OE1 GLU A 31 11.742 17.539 3.000 1.00 0.00 O ATOM 417 OE2 GLU A 31 13.917 17.326 2.761 1.00 0.00 O ATOM 0 H GLU A 31 9.960 13.858 1.721 1.00 0.00 H new ATOM 0 HA GLU A 31 12.456 13.909 0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.002 15.752 -0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.648 15.961 1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.476 16.313 0.538 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.307 17.588 0.261 1.00 0.00 H new ATOM 424 N GLY A 32 12.301 13.946 3.448 1.00 0.00 N ATOM 425 CA GLY A 32 13.103 13.901 4.657 1.00 0.00 C ATOM 426 C GLY A 32 13.535 12.493 5.014 1.00 0.00 C ATOM 427 O GLY A 32 14.204 12.278 6.025 1.00 0.00 O ATOM 0 H GLY A 32 11.315 13.721 3.580 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.986 14.527 4.527 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.532 14.323 5.484 1.00 0.00 H new ATOM 431 N LYS A 33 13.150 11.529 4.185 1.00 0.00 N ATOM 432 CA LYS A 33 13.500 10.133 4.417 1.00 0.00 C ATOM 433 C LYS A 33 13.404 9.325 3.127 1.00 0.00 C ATOM 434 O LYS A 33 12.324 9.127 2.570 1.00 0.00 O ATOM 435 CB LYS A 33 12.583 9.526 5.481 1.00 0.00 C ATOM 436 CG LYS A 33 12.828 8.047 5.724 1.00 0.00 C ATOM 437 CD LYS A 33 13.852 7.825 6.824 1.00 0.00 C ATOM 438 CE LYS A 33 13.577 6.541 7.591 1.00 0.00 C ATOM 439 NZ LYS A 33 12.589 6.750 8.686 1.00 0.00 N ATOM 0 H LYS A 33 12.594 11.689 3.345 1.00 0.00 H new ATOM 0 HA LYS A 33 14.530 10.097 4.771 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.720 10.067 6.417 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.546 9.669 5.179 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.890 7.562 5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.175 7.579 4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.851 7.784 6.390 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.838 8.671 7.511 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.203 5.781 6.905 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.509 6.162 8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.429 5.852 9.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.956 7.457 9.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.691 7.088 8.284 1.00 0.00 H new ATOM 453 N PRO A 34 14.558 8.846 2.640 1.00 0.00 N ATOM 454 CA PRO A 34 14.629 8.051 1.411 1.00 0.00 C ATOM 455 C PRO A 34 14.013 6.666 1.580 1.00 0.00 C ATOM 456 O PRO A 34 13.518 6.074 0.621 1.00 0.00 O ATOM 457 CB PRO A 34 16.133 7.938 1.148 1.00 0.00 C ATOM 458 CG PRO A 34 16.765 8.096 2.488 1.00 0.00 C ATOM 459 CD PRO A 34 15.883 9.044 3.252 1.00 0.00 C ATOM 0 HA PRO A 34 14.073 8.512 0.595 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.386 6.976 0.702 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.473 8.709 0.457 1.00 0.00 H new ATOM 0 HG2 PRO A 34 16.842 7.136 2.999 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.777 8.491 2.398 1.00 0.00 H new ATOM 0 HD2 PRO A 34 15.872 8.813 4.317 1.00 0.00 H new ATOM 0 HD3 PRO A 34 16.221 10.075 3.153 1.00 0.00 H new ATOM 467 N LYS A 35 14.045 6.155 2.806 1.00 0.00 N ATOM 468 CA LYS A 35 13.488 4.841 3.102 1.00 0.00 C ATOM 469 C LYS A 35 11.965 4.898 3.169 1.00 0.00 C ATOM 470 O LYS A 35 11.287 3.882 3.012 1.00 0.00 O ATOM 471 CB LYS A 35 14.048 4.313 4.425 1.00 0.00 C ATOM 472 CG LYS A 35 15.384 3.606 4.281 1.00 0.00 C ATOM 473 CD LYS A 35 15.824 2.973 5.591 1.00 0.00 C ATOM 474 CE LYS A 35 15.317 1.545 5.717 1.00 0.00 C ATOM 475 NZ LYS A 35 16.224 0.573 5.047 1.00 0.00 N ATOM 0 H LYS A 35 14.451 6.632 3.611 1.00 0.00 H new ATOM 0 HA LYS A 35 13.774 4.163 2.297 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.160 5.145 5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.327 3.624 4.866 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.309 2.838 3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.139 4.318 3.948 1.00 0.00 H new ATOM 0 HD2 LYS A 35 16.912 2.981 5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.453 3.567 6.426 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.222 1.285 6.771 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.321 1.473 5.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.226 -0.322 5.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.892 0.400 4.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.189 0.961 5.019 1.00 0.00 H new ATOM 489 N THR A 36 11.432 6.093 3.403 1.00 0.00 N ATOM 490 CA THR A 36 9.989 6.282 3.490 1.00 0.00 C ATOM 491 C THR A 36 9.398 6.641 2.131 1.00 0.00 C ATOM 492 O THR A 36 10.039 7.315 1.324 1.00 0.00 O ATOM 493 CB THR A 36 9.628 7.387 4.501 1.00 0.00 C ATOM 494 OG1 THR A 36 9.760 6.889 5.838 1.00 0.00 O ATOM 495 CG2 THR A 36 8.207 7.881 4.277 1.00 0.00 C ATOM 0 H THR A 36 11.978 6.944 3.536 1.00 0.00 H new ATOM 0 HA THR A 36 9.566 5.336 3.829 1.00 0.00 H new ATOM 0 HB THR A 36 10.314 8.222 4.355 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.530 7.597 6.475 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.974 8.661 5.002 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.117 8.285 3.269 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.510 7.052 4.399 1.00 0.00 H new ATOM 503 N ILE A 37 8.175 6.186 1.885 1.00 0.00 N ATOM 504 CA ILE A 37 7.498 6.460 0.623 1.00 0.00 C ATOM 505 C ILE A 37 5.994 6.614 0.828 1.00 0.00 C ATOM 506 O ILE A 37 5.419 6.022 1.742 1.00 0.00 O ATOM 507 CB ILE A 37 7.752 5.344 -0.407 1.00 0.00 C ATOM 508 CG1 ILE A 37 7.063 4.050 0.030 1.00 0.00 C ATOM 509 CG2 ILE A 37 9.246 5.120 -0.587 1.00 0.00 C ATOM 510 CD1 ILE A 37 6.873 3.057 -1.095 1.00 0.00 C ATOM 0 H ILE A 37 7.632 5.626 2.542 1.00 0.00 H new ATOM 0 HA ILE A 37 7.909 7.395 0.242 1.00 0.00 H new ATOM 0 HB ILE A 37 7.332 5.651 -1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.651 3.583 0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.090 4.292 0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.410 4.328 -1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.712 6.040 -0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.688 4.831 0.366 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.379 2.164 -0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.259 3.505 -1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.844 2.785 -1.508 1.00 0.00 H new ATOM 522 N ILE A 38 5.365 7.411 -0.028 1.00 0.00 N ATOM 523 CA ILE A 38 3.928 7.641 0.057 1.00 0.00 C ATOM 524 C ILE A 38 3.217 7.151 -1.200 1.00 0.00 C ATOM 525 O ILE A 38 3.703 7.342 -2.315 1.00 0.00 O ATOM 526 CB ILE A 38 3.607 9.132 0.267 1.00 0.00 C ATOM 527 CG1 ILE A 38 4.323 9.660 1.512 1.00 0.00 C ATOM 528 CG2 ILE A 38 2.105 9.339 0.386 1.00 0.00 C ATOM 529 CD1 ILE A 38 5.717 10.177 1.234 1.00 0.00 C ATOM 0 H ILE A 38 5.828 7.909 -0.789 1.00 0.00 H new ATOM 0 HA ILE A 38 3.569 7.077 0.918 1.00 0.00 H new ATOM 0 HB ILE A 38 3.964 9.690 -0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.728 10.461 1.951 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.381 8.863 2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.894 10.398 0.534 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.617 8.996 -0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.726 8.771 1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.164 10.535 2.161 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.328 9.373 0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.665 10.996 0.517 1.00 0.00 H new ATOM 541 N VAL A 39 2.062 6.521 -1.013 1.00 0.00 N ATOM 542 CA VAL A 39 1.282 6.007 -2.132 1.00 0.00 C ATOM 543 C VAL A 39 -0.127 6.588 -2.133 1.00 0.00 C ATOM 544 O VAL A 39 -0.935 6.286 -1.256 1.00 0.00 O ATOM 545 CB VAL A 39 1.191 4.469 -2.093 1.00 0.00 C ATOM 546 CG1 VAL A 39 0.278 3.961 -3.199 1.00 0.00 C ATOM 547 CG2 VAL A 39 2.576 3.851 -2.207 1.00 0.00 C ATOM 0 H VAL A 39 1.646 6.354 -0.097 1.00 0.00 H new ATOM 0 HA VAL A 39 1.798 6.311 -3.043 1.00 0.00 H new ATOM 0 HB VAL A 39 0.763 4.171 -1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.225 2.873 -3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.720 4.378 -3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.674 4.268 -4.167 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.493 2.765 -2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.034 4.155 -3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.195 4.190 -1.377 1.00 0.00 H new ATOM 557 N ASN A 40 -0.415 7.425 -3.125 1.00 0.00 N ATOM 558 CA ASN A 40 -1.727 8.051 -3.241 1.00 0.00 C ATOM 559 C ASN A 40 -2.560 7.371 -4.324 1.00 0.00 C ATOM 560 O ASN A 40 -2.019 6.804 -5.273 1.00 0.00 O ATOM 561 CB ASN A 40 -1.580 9.541 -3.555 1.00 0.00 C ATOM 562 CG ASN A 40 -0.579 10.227 -2.646 1.00 0.00 C ATOM 563 OD1 ASN A 40 -0.954 10.877 -1.670 1.00 0.00 O ATOM 564 ND2 ASN A 40 0.703 10.085 -2.963 1.00 0.00 N ATOM 0 H ASN A 40 0.243 7.685 -3.860 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.241 7.938 -2.287 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.267 9.662 -4.592 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.550 10.028 -3.456 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.422 10.524 -2.388 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.968 9.537 -3.781 1.00 0.00 H new ATOM 571 N TRP A 41 -3.878 7.433 -4.174 1.00 0.00 N ATOM 572 CA TRP A 41 -4.786 6.824 -5.140 1.00 0.00 C ATOM 573 C TRP A 41 -6.210 7.332 -4.943 1.00 0.00 C ATOM 574 O TRP A 41 -6.457 8.206 -4.113 1.00 0.00 O ATOM 575 CB TRP A 41 -4.752 5.301 -5.013 1.00 0.00 C ATOM 576 CG TRP A 41 -5.293 4.801 -3.707 1.00 0.00 C ATOM 577 CD1 TRP A 41 -6.599 4.537 -3.408 1.00 0.00 C ATOM 578 CD2 TRP A 41 -4.541 4.509 -2.524 1.00 0.00 C ATOM 579 NE1 TRP A 41 -6.705 4.098 -2.111 1.00 0.00 N ATOM 580 CE2 TRP A 41 -5.457 4.071 -1.547 1.00 0.00 C ATOM 581 CE3 TRP A 41 -3.185 4.571 -2.196 1.00 0.00 C ATOM 582 CZ2 TRP A 41 -5.057 3.700 -0.266 1.00 0.00 C ATOM 583 CZ3 TRP A 41 -2.789 4.203 -0.924 1.00 0.00 C ATOM 584 CH2 TRP A 41 -3.722 3.771 0.028 1.00 0.00 C ATOM 0 H TRP A 41 -4.342 7.898 -3.394 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.455 7.105 -6.140 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.328 4.863 -5.828 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.724 4.957 -5.128 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.427 4.656 -4.091 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.572 3.835 -1.643 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.458 4.901 -2.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.775 3.368 0.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.743 4.249 -0.659 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.381 3.489 1.013 1.00 0.00 H new ATOM 595 N GLN A 42 -7.143 6.777 -5.711 1.00 0.00 N ATOM 596 CA GLN A 42 -8.543 7.175 -5.620 1.00 0.00 C ATOM 597 C GLN A 42 -9.462 5.963 -5.732 1.00 0.00 C ATOM 598 O GLN A 42 -9.076 4.906 -6.231 1.00 0.00 O ATOM 599 CB GLN A 42 -8.879 8.189 -6.715 1.00 0.00 C ATOM 600 CG GLN A 42 -8.655 9.633 -6.297 1.00 0.00 C ATOM 601 CD GLN A 42 -9.838 10.214 -5.548 1.00 0.00 C ATOM 602 OE1 GLN A 42 -9.722 10.602 -4.385 1.00 0.00 O ATOM 603 NE2 GLN A 42 -10.986 10.278 -6.213 1.00 0.00 N ATOM 0 H GLN A 42 -6.955 6.051 -6.402 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.701 7.638 -4.646 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.272 7.976 -7.595 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.921 8.062 -7.009 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.767 9.691 -5.668 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.458 10.237 -7.183 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -11.037 9.945 -7.176 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -11.817 10.660 -5.761 1.00 0.00 H new ATOM 612 N PRO A 43 -10.707 6.119 -5.259 1.00 0.00 N ATOM 613 CA PRO A 43 -11.707 5.047 -5.295 1.00 0.00 C ATOM 614 C PRO A 43 -12.179 4.743 -6.713 1.00 0.00 C ATOM 615 O PRO A 43 -12.043 5.557 -7.627 1.00 0.00 O ATOM 616 CB PRO A 43 -12.858 5.608 -4.457 1.00 0.00 C ATOM 617 CG PRO A 43 -12.712 7.087 -4.554 1.00 0.00 C ATOM 618 CD PRO A 43 -11.235 7.352 -4.652 1.00 0.00 C ATOM 0 HA PRO A 43 -11.309 4.104 -4.920 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.824 5.280 -4.841 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.795 5.271 -3.422 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.237 7.474 -5.427 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.140 7.579 -3.681 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.024 8.226 -5.268 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.794 7.538 -3.673 1.00 0.00 H new ATOM 626 N PRO A 44 -12.747 3.543 -6.904 1.00 0.00 N ATOM 627 CA PRO A 44 -13.252 3.104 -8.208 1.00 0.00 C ATOM 628 C PRO A 44 -14.498 3.872 -8.636 1.00 0.00 C ATOM 629 O PRO A 44 -15.290 4.304 -7.798 1.00 0.00 O ATOM 630 CB PRO A 44 -13.585 1.628 -7.981 1.00 0.00 C ATOM 631 CG PRO A 44 -13.847 1.519 -6.519 1.00 0.00 C ATOM 632 CD PRO A 44 -12.942 2.523 -5.860 1.00 0.00 C ATOM 0 HA PRO A 44 -12.527 3.274 -9.004 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.455 1.325 -8.563 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.759 0.985 -8.284 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.893 1.729 -6.293 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.639 0.511 -6.159 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.396 2.946 -4.964 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.997 2.073 -5.556 1.00 0.00 H new ATOM 640 N SER A 45 -14.666 4.038 -9.944 1.00 0.00 N ATOM 641 CA SER A 45 -15.815 4.756 -10.482 1.00 0.00 C ATOM 642 C SER A 45 -17.107 3.987 -10.224 1.00 0.00 C ATOM 643 O SER A 45 -18.108 4.560 -9.796 1.00 0.00 O ATOM 644 CB SER A 45 -15.639 4.991 -11.983 1.00 0.00 C ATOM 645 OG SER A 45 -16.653 5.841 -12.489 1.00 0.00 O ATOM 0 H SER A 45 -14.021 3.685 -10.651 1.00 0.00 H new ATOM 0 HA SER A 45 -15.879 5.719 -9.976 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.661 5.434 -12.173 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.664 4.037 -12.509 1.00 0.00 H new ATOM 0 HG SER A 45 -16.517 5.977 -13.450 1.00 0.00 H new ATOM 651 N GLU A 46 -17.075 2.684 -10.488 1.00 0.00 N ATOM 652 CA GLU A 46 -18.244 1.836 -10.285 1.00 0.00 C ATOM 653 C GLU A 46 -18.723 1.907 -8.838 1.00 0.00 C ATOM 654 O GLU A 46 -19.831 2.366 -8.562 1.00 0.00 O ATOM 655 CB GLU A 46 -17.920 0.387 -10.656 1.00 0.00 C ATOM 656 CG GLU A 46 -17.531 0.204 -12.113 1.00 0.00 C ATOM 657 CD GLU A 46 -18.705 0.380 -13.057 1.00 0.00 C ATOM 658 OE1 GLU A 46 -19.530 -0.552 -13.157 1.00 0.00 O ATOM 659 OE2 GLU A 46 -18.799 1.449 -13.695 1.00 0.00 O ATOM 0 H GLU A 46 -16.254 2.194 -10.842 1.00 0.00 H new ATOM 0 HA GLU A 46 -19.042 2.200 -10.932 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -17.106 0.032 -10.024 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -18.787 -0.237 -10.439 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -16.752 0.922 -12.370 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -17.106 -0.790 -12.249 1.00 0.00 H new ATOM 666 N ALA A 47 -17.880 1.449 -7.918 1.00 0.00 N ATOM 667 CA ALA A 47 -18.216 1.461 -6.500 1.00 0.00 C ATOM 668 C ALA A 47 -19.689 1.133 -6.282 1.00 0.00 C ATOM 669 O ALA A 47 -20.400 1.859 -5.588 1.00 0.00 O ATOM 670 CB ALA A 47 -17.879 2.813 -5.890 1.00 0.00 C ATOM 0 H ALA A 47 -16.959 1.065 -8.130 1.00 0.00 H new ATOM 0 HA ALA A 47 -17.623 0.693 -6.005 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -18.135 2.808 -4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -16.813 3.008 -6.005 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -18.447 3.593 -6.397 1.00 0.00 H new ATOM 676 N ASN A 48 -20.141 0.036 -6.880 1.00 0.00 N ATOM 677 CA ASN A 48 -21.531 -0.387 -6.752 1.00 0.00 C ATOM 678 C ASN A 48 -22.024 -0.209 -5.319 1.00 0.00 C ATOM 679 O ASN A 48 -23.221 -0.058 -5.078 1.00 0.00 O ATOM 680 CB ASN A 48 -21.682 -1.849 -7.177 1.00 0.00 C ATOM 681 CG ASN A 48 -21.155 -2.102 -8.576 1.00 0.00 C ATOM 682 OD1 ASN A 48 -21.843 -1.850 -9.566 1.00 0.00 O ATOM 683 ND2 ASN A 48 -19.928 -2.603 -8.665 1.00 0.00 N ATOM 0 H ASN A 48 -19.565 -0.576 -7.458 1.00 0.00 H new ATOM 0 HA ASN A 48 -22.137 0.239 -7.407 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -21.150 -2.487 -6.471 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -22.734 -2.131 -7.132 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.520 -2.794 -9.580 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -19.394 -2.797 -7.818 1.00 0.00 H new ATOM 690 N GLY A 49 -21.092 -0.227 -4.372 1.00 0.00 N ATOM 691 CA GLY A 49 -21.451 -0.065 -2.975 1.00 0.00 C ATOM 692 C GLY A 49 -20.715 1.085 -2.316 1.00 0.00 C ATOM 693 O GLY A 49 -20.302 2.032 -2.986 1.00 0.00 O ATOM 0 H GLY A 49 -20.095 -0.351 -4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -22.525 0.103 -2.896 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -21.232 -0.988 -2.438 1.00 0.00 H new ATOM 697 N LYS A 50 -20.552 1.005 -1.000 1.00 0.00 N ATOM 698 CA LYS A 50 -19.862 2.047 -0.249 1.00 0.00 C ATOM 699 C LYS A 50 -18.534 1.535 0.297 1.00 0.00 C ATOM 700 O LYS A 50 -18.486 0.513 0.983 1.00 0.00 O ATOM 701 CB LYS A 50 -20.742 2.543 0.900 1.00 0.00 C ATOM 702 CG LYS A 50 -20.047 3.540 1.812 1.00 0.00 C ATOM 703 CD LYS A 50 -20.613 3.497 3.221 1.00 0.00 C ATOM 704 CE LYS A 50 -21.778 4.461 3.383 1.00 0.00 C ATOM 705 NZ LYS A 50 -23.075 3.834 3.004 1.00 0.00 N ATOM 0 H LYS A 50 -20.889 0.228 -0.431 1.00 0.00 H new ATOM 0 HA LYS A 50 -19.660 2.876 -0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -21.638 3.005 0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -21.068 1.688 1.492 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.979 3.324 1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -20.158 4.545 1.405 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -20.943 2.484 3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -19.830 3.747 3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -21.827 4.800 4.418 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -21.607 5.343 2.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -23.620 4.494 2.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -22.895 2.959 2.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -23.617 3.611 3.863 1.00 0.00 H new ATOM 719 N ILE A 51 -17.457 2.252 -0.009 1.00 0.00 N ATOM 720 CA ILE A 51 -16.129 1.871 0.455 1.00 0.00 C ATOM 721 C ILE A 51 -15.997 2.060 1.962 1.00 0.00 C ATOM 722 O ILE A 51 -16.589 2.973 2.539 1.00 0.00 O ATOM 723 CB ILE A 51 -15.031 2.687 -0.252 1.00 0.00 C ATOM 724 CG1 ILE A 51 -15.235 2.653 -1.768 1.00 0.00 C ATOM 725 CG2 ILE A 51 -13.655 2.152 0.115 1.00 0.00 C ATOM 726 CD1 ILE A 51 -15.063 1.276 -2.370 1.00 0.00 C ATOM 0 H ILE A 51 -17.479 3.100 -0.576 1.00 0.00 H new ATOM 0 HA ILE A 51 -16.000 0.816 0.212 1.00 0.00 H new ATOM 0 HB ILE A 51 -15.098 3.723 0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -16.235 3.020 -2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.528 3.337 -2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.889 2.739 -0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.512 2.224 1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.576 1.109 -0.193 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -15.222 1.327 -3.447 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.055 0.914 -2.169 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.788 0.593 -1.928 1.00 0.00 H new ATOM 738 N THR A 52 -15.216 1.191 2.596 1.00 0.00 N ATOM 739 CA THR A 52 -15.005 1.262 4.036 1.00 0.00 C ATOM 740 C THR A 52 -13.521 1.350 4.371 1.00 0.00 C ATOM 741 O THR A 52 -13.129 2.012 5.332 1.00 0.00 O ATOM 742 CB THR A 52 -15.610 0.040 4.753 1.00 0.00 C ATOM 743 OG1 THR A 52 -14.979 -1.160 4.292 1.00 0.00 O ATOM 744 CG2 THR A 52 -17.109 -0.043 4.510 1.00 0.00 C ATOM 0 H THR A 52 -14.719 0.429 2.134 1.00 0.00 H new ATOM 0 HA THR A 52 -15.507 2.164 4.385 1.00 0.00 H new ATOM 0 HB THR A 52 -15.438 0.152 5.823 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.368 -1.932 4.753 1.00 0.00 H new ATOM 0 HG21 THR A 52 -17.514 -0.914 5.026 1.00 0.00 H new ATOM 0 HG22 THR A 52 -17.589 0.859 4.889 1.00 0.00 H new ATOM 0 HG23 THR A 52 -17.300 -0.134 3.441 1.00 0.00 H new ATOM 752 N GLY A 53 -12.697 0.679 3.571 1.00 0.00 N ATOM 753 CA GLY A 53 -11.264 0.696 3.800 1.00 0.00 C ATOM 754 C GLY A 53 -10.479 0.229 2.590 1.00 0.00 C ATOM 755 O GLY A 53 -11.060 -0.178 1.584 1.00 0.00 O ATOM 0 H GLY A 53 -12.996 0.124 2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.953 1.707 4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.027 0.058 4.651 1.00 0.00 H new ATOM 759 N TYR A 54 -9.155 0.290 2.686 1.00 0.00 N ATOM 760 CA TYR A 54 -8.289 -0.125 1.590 1.00 0.00 C ATOM 761 C TYR A 54 -7.141 -0.990 2.100 1.00 0.00 C ATOM 762 O TYR A 54 -6.788 -0.940 3.279 1.00 0.00 O ATOM 763 CB TYR A 54 -7.735 1.098 0.858 1.00 0.00 C ATOM 764 CG TYR A 54 -8.806 1.980 0.257 1.00 0.00 C ATOM 765 CD1 TYR A 54 -9.473 2.922 1.030 1.00 0.00 C ATOM 766 CD2 TYR A 54 -9.150 1.873 -1.085 1.00 0.00 C ATOM 767 CE1 TYR A 54 -10.452 3.730 0.486 1.00 0.00 C ATOM 768 CE2 TYR A 54 -10.128 2.677 -1.639 1.00 0.00 C ATOM 769 CZ TYR A 54 -10.776 3.604 -0.849 1.00 0.00 C ATOM 770 OH TYR A 54 -11.750 4.407 -1.396 1.00 0.00 O ATOM 0 H TYR A 54 -8.659 0.623 3.512 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.884 -0.717 0.895 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.138 1.688 1.554 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.064 0.764 0.066 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.221 3.024 2.075 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.644 1.149 -1.706 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.961 4.456 1.102 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.383 2.580 -2.684 1.00 0.00 H new ATOM 0 HH TYR A 54 -12.107 5.004 -0.706 1.00 0.00 H new ATOM 780 N ILE A 55 -6.560 -1.781 1.204 1.00 0.00 N ATOM 781 CA ILE A 55 -5.450 -2.655 1.562 1.00 0.00 C ATOM 782 C ILE A 55 -4.339 -2.587 0.520 1.00 0.00 C ATOM 783 O ILE A 55 -4.587 -2.736 -0.677 1.00 0.00 O ATOM 784 CB ILE A 55 -5.911 -4.117 1.712 1.00 0.00 C ATOM 785 CG1 ILE A 55 -7.213 -4.185 2.511 1.00 0.00 C ATOM 786 CG2 ILE A 55 -4.827 -4.947 2.383 1.00 0.00 C ATOM 787 CD1 ILE A 55 -8.010 -5.447 2.263 1.00 0.00 C ATOM 0 H ILE A 55 -6.840 -1.834 0.225 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.067 -2.304 2.520 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.095 -4.528 0.720 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.982 -4.114 3.574 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.829 -3.321 2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.167 -5.978 2.482 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.921 -4.920 1.777 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.615 -4.538 3.371 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.920 -5.426 2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.273 -5.510 1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.412 -6.315 2.540 1.00 0.00 H new ATOM 799 N ILE A 56 -3.114 -2.365 0.983 1.00 0.00 N ATOM 800 CA ILE A 56 -1.964 -2.281 0.091 1.00 0.00 C ATOM 801 C ILE A 56 -1.068 -3.507 0.233 1.00 0.00 C ATOM 802 O ILE A 56 -0.878 -4.026 1.334 1.00 0.00 O ATOM 803 CB ILE A 56 -1.130 -1.015 0.365 1.00 0.00 C ATOM 804 CG1 ILE A 56 -1.971 0.239 0.115 1.00 0.00 C ATOM 805 CG2 ILE A 56 0.118 -1.005 -0.505 1.00 0.00 C ATOM 806 CD1 ILE A 56 -1.338 1.506 0.647 1.00 0.00 C ATOM 0 H ILE A 56 -2.892 -2.240 1.971 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.355 -2.235 -0.925 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.820 -1.020 1.410 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.137 0.348 -0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.949 0.109 0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.697 -0.105 -0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.723 -1.884 -0.283 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.171 -1.019 -1.556 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.988 2.355 0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.197 1.418 1.724 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.372 1.660 0.166 1.00 0.00 H new ATOM 818 N TYR A 57 -0.518 -3.963 -0.886 1.00 0.00 N ATOM 819 CA TYR A 57 0.359 -5.129 -0.887 1.00 0.00 C ATOM 820 C TYR A 57 1.681 -4.815 -1.581 1.00 0.00 C ATOM 821 O TYR A 57 1.703 -4.362 -2.725 1.00 0.00 O ATOM 822 CB TYR A 57 -0.326 -6.308 -1.580 1.00 0.00 C ATOM 823 CG TYR A 57 -1.709 -6.604 -1.045 1.00 0.00 C ATOM 824 CD1 TYR A 57 -2.792 -5.801 -1.379 1.00 0.00 C ATOM 825 CD2 TYR A 57 -1.932 -7.687 -0.204 1.00 0.00 C ATOM 826 CE1 TYR A 57 -4.057 -6.067 -0.892 1.00 0.00 C ATOM 827 CE2 TYR A 57 -3.194 -7.963 0.287 1.00 0.00 C ATOM 828 CZ TYR A 57 -4.253 -7.150 -0.060 1.00 0.00 C ATOM 829 OH TYR A 57 -5.511 -7.420 0.428 1.00 0.00 O ATOM 0 H TYR A 57 -0.663 -3.544 -1.804 1.00 0.00 H new ATOM 0 HA TYR A 57 0.567 -5.396 0.149 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.395 -6.101 -2.648 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.296 -7.196 -1.467 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.642 -4.953 -2.031 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.105 -8.324 0.071 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.888 -5.431 -1.161 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.350 -8.810 0.938 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.477 -8.217 0.998 1.00 0.00 H new ATOM 839 N TYR A 58 2.782 -5.061 -0.879 1.00 0.00 N ATOM 840 CA TYR A 58 4.109 -4.804 -1.425 1.00 0.00 C ATOM 841 C TYR A 58 5.083 -5.912 -1.036 1.00 0.00 C ATOM 842 O TYR A 58 4.884 -6.607 -0.039 1.00 0.00 O ATOM 843 CB TYR A 58 4.634 -3.454 -0.932 1.00 0.00 C ATOM 844 CG TYR A 58 5.157 -3.488 0.486 1.00 0.00 C ATOM 845 CD1 TYR A 58 6.317 -4.184 0.803 1.00 0.00 C ATOM 846 CD2 TYR A 58 4.490 -2.825 1.509 1.00 0.00 C ATOM 847 CE1 TYR A 58 6.797 -4.219 2.098 1.00 0.00 C ATOM 848 CE2 TYR A 58 4.965 -2.853 2.806 1.00 0.00 C ATOM 849 CZ TYR A 58 6.118 -3.551 3.096 1.00 0.00 C ATOM 850 OH TYR A 58 6.595 -3.583 4.386 1.00 0.00 O ATOM 0 H TYR A 58 2.781 -5.438 0.069 1.00 0.00 H new ATOM 0 HA TYR A 58 4.028 -4.781 -2.512 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.431 -3.119 -1.596 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.834 -2.717 -0.997 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.852 -4.706 0.024 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.585 -2.279 1.286 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.699 -4.766 2.328 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.436 -2.331 3.589 1.00 0.00 H new ATOM 0 HH TYR A 58 6.002 -3.062 4.967 1.00 0.00 H new ATOM 860 N SER A 59 6.136 -6.072 -1.831 1.00 0.00 N ATOM 861 CA SER A 59 7.140 -7.098 -1.573 1.00 0.00 C ATOM 862 C SER A 59 8.329 -6.943 -2.516 1.00 0.00 C ATOM 863 O SER A 59 8.311 -6.116 -3.428 1.00 0.00 O ATOM 864 CB SER A 59 6.527 -8.491 -1.731 1.00 0.00 C ATOM 865 OG SER A 59 7.442 -9.498 -1.334 1.00 0.00 O ATOM 0 H SER A 59 6.316 -5.504 -2.659 1.00 0.00 H new ATOM 0 HA SER A 59 7.493 -6.978 -0.549 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.620 -8.563 -1.131 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.236 -8.648 -2.770 1.00 0.00 H new ATOM 0 HG SER A 59 7.026 -10.379 -1.443 1.00 0.00 H new ATOM 871 N THR A 60 9.364 -7.746 -2.290 1.00 0.00 N ATOM 872 CA THR A 60 10.563 -7.699 -3.117 1.00 0.00 C ATOM 873 C THR A 60 10.431 -8.615 -4.329 1.00 0.00 C ATOM 874 O THR A 60 11.418 -9.179 -4.802 1.00 0.00 O ATOM 875 CB THR A 60 11.815 -8.104 -2.316 1.00 0.00 C ATOM 876 OG1 THR A 60 11.657 -9.430 -1.798 1.00 0.00 O ATOM 877 CG2 THR A 60 12.061 -7.134 -1.170 1.00 0.00 C ATOM 0 H THR A 60 9.396 -8.437 -1.540 1.00 0.00 H new ATOM 0 HA THR A 60 10.674 -6.668 -3.454 1.00 0.00 H new ATOM 0 HB THR A 60 12.674 -8.075 -2.987 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.458 -9.681 -1.292 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.950 -7.440 -0.619 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.209 -6.130 -1.568 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.201 -7.136 -0.501 1.00 0.00 H new ATOM 885 N ASP A 61 9.208 -8.756 -4.827 1.00 0.00 N ATOM 886 CA ASP A 61 8.948 -9.602 -5.986 1.00 0.00 C ATOM 887 C ASP A 61 7.613 -9.244 -6.632 1.00 0.00 C ATOM 888 O ASP A 61 6.713 -8.723 -5.973 1.00 0.00 O ATOM 889 CB ASP A 61 8.952 -11.077 -5.579 1.00 0.00 C ATOM 890 CG ASP A 61 10.348 -11.668 -5.562 1.00 0.00 C ATOM 891 OD1 ASP A 61 10.908 -11.899 -6.654 1.00 0.00 O ATOM 892 OD2 ASP A 61 10.881 -11.901 -4.457 1.00 0.00 O ATOM 0 H ASP A 61 8.381 -8.296 -4.447 1.00 0.00 H new ATOM 0 HA ASP A 61 9.741 -9.432 -6.714 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.505 -11.179 -4.590 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.329 -11.644 -6.271 1.00 0.00 H new ATOM 897 N VAL A 62 7.492 -9.527 -7.925 1.00 0.00 N ATOM 898 CA VAL A 62 6.267 -9.234 -8.660 1.00 0.00 C ATOM 899 C VAL A 62 5.503 -10.513 -8.985 1.00 0.00 C ATOM 900 O VAL A 62 4.291 -10.488 -9.192 1.00 0.00 O ATOM 901 CB VAL A 62 6.565 -8.480 -9.969 1.00 0.00 C ATOM 902 CG1 VAL A 62 7.377 -9.352 -10.915 1.00 0.00 C ATOM 903 CG2 VAL A 62 5.272 -8.025 -10.628 1.00 0.00 C ATOM 0 H VAL A 62 8.227 -9.959 -8.485 1.00 0.00 H new ATOM 0 HA VAL A 62 5.655 -8.602 -8.017 1.00 0.00 H new ATOM 0 HB VAL A 62 7.156 -7.595 -9.732 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.578 -8.802 -11.835 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.320 -9.623 -10.441 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.815 -10.257 -11.148 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.502 -7.494 -11.552 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.653 -8.894 -10.853 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.733 -7.361 -9.952 1.00 0.00 H new ATOM 913 N ASN A 63 6.222 -11.630 -9.028 1.00 0.00 N ATOM 914 CA ASN A 63 5.611 -12.920 -9.329 1.00 0.00 C ATOM 915 C ASN A 63 5.304 -13.688 -8.047 1.00 0.00 C ATOM 916 O ASN A 63 4.512 -14.631 -8.050 1.00 0.00 O ATOM 917 CB ASN A 63 6.534 -13.749 -10.224 1.00 0.00 C ATOM 918 CG ASN A 63 7.847 -14.088 -9.544 1.00 0.00 C ATOM 919 OD1 ASN A 63 7.878 -14.837 -8.569 1.00 0.00 O ATOM 920 ND2 ASN A 63 8.939 -13.534 -10.059 1.00 0.00 N ATOM 0 H ASN A 63 7.227 -11.668 -8.858 1.00 0.00 H new ATOM 0 HA ASN A 63 4.674 -12.736 -9.856 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.027 -14.671 -10.509 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.735 -13.198 -11.143 1.00 0.00 H new ATOM 0 HD21 ASN A 63 9.851 -13.724 -9.644 1.00 0.00 H new ATOM 0 HD22 ASN A 63 8.865 -12.919 -10.869 1.00 0.00 H new ATOM 927 N ALA A 64 5.935 -13.277 -6.952 1.00 0.00 N ATOM 928 CA ALA A 64 5.727 -13.924 -5.662 1.00 0.00 C ATOM 929 C ALA A 64 4.241 -14.102 -5.370 1.00 0.00 C ATOM 930 O ALA A 64 3.418 -13.281 -5.774 1.00 0.00 O ATOM 931 CB ALA A 64 6.392 -13.120 -4.555 1.00 0.00 C ATOM 0 H ALA A 64 6.594 -12.499 -6.932 1.00 0.00 H new ATOM 0 HA ALA A 64 6.183 -14.913 -5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.229 -13.615 -3.598 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.462 -13.050 -4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.962 -12.119 -4.524 1.00 0.00 H new ATOM 937 N GLU A 65 3.905 -15.178 -4.666 1.00 0.00 N ATOM 938 CA GLU A 65 2.517 -15.463 -4.322 1.00 0.00 C ATOM 939 C GLU A 65 1.974 -14.424 -3.345 1.00 0.00 C ATOM 940 O GLU A 65 2.632 -14.077 -2.363 1.00 0.00 O ATOM 941 CB GLU A 65 2.395 -16.862 -3.715 1.00 0.00 C ATOM 942 CG GLU A 65 2.359 -17.974 -4.751 1.00 0.00 C ATOM 943 CD GLU A 65 3.724 -18.257 -5.349 1.00 0.00 C ATOM 944 OE1 GLU A 65 4.680 -18.466 -4.572 1.00 0.00 O ATOM 945 OE2 GLU A 65 3.836 -18.271 -6.592 1.00 0.00 O ATOM 0 H GLU A 65 4.575 -15.867 -4.323 1.00 0.00 H new ATOM 0 HA GLU A 65 1.927 -15.419 -5.237 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.235 -17.031 -3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.488 -16.909 -3.112 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.973 -18.883 -4.290 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.667 -17.701 -5.548 1.00 0.00 H new ATOM 952 N ILE A 66 0.772 -13.931 -3.622 1.00 0.00 N ATOM 953 CA ILE A 66 0.141 -12.932 -2.768 1.00 0.00 C ATOM 954 C ILE A 66 0.401 -13.225 -1.295 1.00 0.00 C ATOM 955 O ILE A 66 0.393 -12.321 -0.459 1.00 0.00 O ATOM 956 CB ILE A 66 -1.379 -12.867 -3.007 1.00 0.00 C ATOM 957 CG1 ILE A 66 -1.971 -11.629 -2.329 1.00 0.00 C ATOM 958 CG2 ILE A 66 -2.051 -14.131 -2.492 1.00 0.00 C ATOM 959 CD1 ILE A 66 -1.599 -10.331 -3.012 1.00 0.00 C ATOM 0 H ILE A 66 0.215 -14.207 -4.431 1.00 0.00 H new ATOM 0 HA ILE A 66 0.583 -11.970 -3.028 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.560 -12.793 -4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.057 -11.721 -2.307 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.633 -11.595 -1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.125 -14.070 -2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.646 -14.997 -3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.864 -14.233 -1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.053 -9.496 -2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.515 -10.217 -3.010 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.961 -10.344 -4.040 1.00 0.00 H new ATOM 971 N HIS A 67 0.633 -14.496 -0.982 1.00 0.00 N ATOM 972 CA HIS A 67 0.899 -14.910 0.391 1.00 0.00 C ATOM 973 C HIS A 67 2.068 -14.125 0.979 1.00 0.00 C ATOM 974 O HIS A 67 1.953 -13.529 2.050 1.00 0.00 O ATOM 975 CB HIS A 67 1.196 -16.408 0.447 1.00 0.00 C ATOM 976 CG HIS A 67 0.491 -17.199 -0.612 1.00 0.00 C ATOM 977 ND1 HIS A 67 0.993 -18.372 -1.134 1.00 0.00 N ATOM 978 CD2 HIS A 67 -0.684 -16.978 -1.246 1.00 0.00 C ATOM 979 CE1 HIS A 67 0.157 -18.839 -2.045 1.00 0.00 C ATOM 980 NE2 HIS A 67 -0.869 -18.012 -2.132 1.00 0.00 N ATOM 0 H HIS A 67 0.642 -15.257 -1.661 1.00 0.00 H new ATOM 0 HA HIS A 67 0.009 -14.702 0.985 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.271 -16.561 0.348 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.909 -16.791 1.426 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.352 -16.144 -1.086 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.290 -19.743 -2.620 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -1.669 -18.123 -2.755 1.00 0.00 H new ATOM 989 N ASP A 68 3.192 -14.129 0.271 1.00 0.00 N ATOM 990 CA ASP A 68 4.382 -13.417 0.722 1.00 0.00 C ATOM 991 C ASP A 68 4.115 -11.918 0.817 1.00 0.00 C ATOM 992 O ASP A 68 4.607 -11.247 1.725 1.00 0.00 O ATOM 993 CB ASP A 68 5.551 -13.680 -0.229 1.00 0.00 C ATOM 994 CG ASP A 68 5.128 -13.662 -1.685 1.00 0.00 C ATOM 995 OD1 ASP A 68 4.993 -12.556 -2.250 1.00 0.00 O ATOM 996 OD2 ASP A 68 4.933 -14.753 -2.260 1.00 0.00 O ATOM 0 H ASP A 68 3.304 -14.617 -0.617 1.00 0.00 H new ATOM 0 HA ASP A 68 4.641 -13.785 1.715 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.323 -12.927 -0.068 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.996 -14.647 0.005 1.00 0.00 H new ATOM 1001 N TRP A 69 3.336 -11.400 -0.125 1.00 0.00 N ATOM 1002 CA TRP A 69 3.005 -9.980 -0.148 1.00 0.00 C ATOM 1003 C TRP A 69 2.436 -9.533 1.194 1.00 0.00 C ATOM 1004 O TRP A 69 1.423 -10.059 1.656 1.00 0.00 O ATOM 1005 CB TRP A 69 2.002 -9.687 -1.265 1.00 0.00 C ATOM 1006 CG TRP A 69 2.590 -9.809 -2.638 1.00 0.00 C ATOM 1007 CD1 TRP A 69 3.004 -10.956 -3.253 1.00 0.00 C ATOM 1008 CD2 TRP A 69 2.832 -8.744 -3.565 1.00 0.00 C ATOM 1009 NE1 TRP A 69 3.488 -10.668 -4.507 1.00 0.00 N ATOM 1010 CE2 TRP A 69 3.393 -9.319 -4.722 1.00 0.00 C ATOM 1011 CE3 TRP A 69 2.627 -7.363 -3.530 1.00 0.00 C ATOM 1012 CZ2 TRP A 69 3.751 -8.558 -5.832 1.00 0.00 C ATOM 1013 CZ3 TRP A 69 2.983 -6.609 -4.632 1.00 0.00 C ATOM 1014 CH2 TRP A 69 3.539 -7.207 -5.770 1.00 0.00 C ATOM 0 H TRP A 69 2.922 -11.942 -0.883 1.00 0.00 H new ATOM 0 HA TRP A 69 3.921 -9.421 -0.337 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.159 -10.373 -1.176 1.00 0.00 H new ATOM 0 HB3 TRP A 69 1.608 -8.679 -1.135 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.958 -11.944 -2.818 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.858 -11.349 -5.170 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.198 -6.893 -2.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.180 -9.017 -6.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 2.830 -5.540 -4.615 1.00 0.00 H new ATOM 0 HH2 TRP A 69 3.806 -6.590 -6.615 1.00 0.00 H new ATOM 1025 N VAL A 70 3.092 -8.558 1.815 1.00 0.00 N ATOM 1026 CA VAL A 70 2.650 -8.039 3.104 1.00 0.00 C ATOM 1027 C VAL A 70 1.305 -7.331 2.979 1.00 0.00 C ATOM 1028 O VAL A 70 0.957 -6.821 1.913 1.00 0.00 O ATOM 1029 CB VAL A 70 3.680 -7.059 3.698 1.00 0.00 C ATOM 1030 CG1 VAL A 70 3.721 -5.772 2.889 1.00 0.00 C ATOM 1031 CG2 VAL A 70 3.361 -6.772 5.157 1.00 0.00 C ATOM 0 H VAL A 70 3.932 -8.111 1.446 1.00 0.00 H new ATOM 0 HA VAL A 70 2.547 -8.895 3.771 1.00 0.00 H new ATOM 0 HB VAL A 70 4.666 -7.521 3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.454 -5.092 3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.001 -5.998 1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.738 -5.302 2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.098 -6.078 5.561 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.367 -6.330 5.232 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.388 -7.702 5.725 1.00 0.00 H new ATOM 1041 N ILE A 71 0.553 -7.304 4.074 1.00 0.00 N ATOM 1042 CA ILE A 71 -0.753 -6.657 4.088 1.00 0.00 C ATOM 1043 C ILE A 71 -0.706 -5.340 4.856 1.00 0.00 C ATOM 1044 O ILE A 71 -0.493 -5.325 6.067 1.00 0.00 O ATOM 1045 CB ILE A 71 -1.825 -7.567 4.715 1.00 0.00 C ATOM 1046 CG1 ILE A 71 -1.989 -8.844 3.888 1.00 0.00 C ATOM 1047 CG2 ILE A 71 -3.150 -6.827 4.825 1.00 0.00 C ATOM 1048 CD1 ILE A 71 -2.755 -9.934 4.605 1.00 0.00 C ATOM 0 H ILE A 71 0.826 -7.723 4.963 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.019 -6.459 3.050 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.502 -7.845 5.718 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.503 -8.601 2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.003 -9.222 3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.898 -7.484 5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.023 -5.944 5.452 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.480 -6.522 3.832 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.833 -10.809 3.960 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.231 -10.205 5.522 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.754 -9.575 4.851 1.00 0.00 H new ATOM 1060 N GLU A 72 -0.909 -4.237 4.141 1.00 0.00 N ATOM 1061 CA GLU A 72 -0.892 -2.916 4.757 1.00 0.00 C ATOM 1062 C GLU A 72 -2.265 -2.256 4.669 1.00 0.00 C ATOM 1063 O GLU A 72 -2.561 -1.501 3.743 1.00 0.00 O ATOM 1064 CB GLU A 72 0.156 -2.028 4.082 1.00 0.00 C ATOM 1065 CG GLU A 72 1.533 -2.121 4.718 1.00 0.00 C ATOM 1066 CD GLU A 72 1.498 -1.909 6.219 1.00 0.00 C ATOM 1067 OE1 GLU A 72 0.830 -0.954 6.667 1.00 0.00 O ATOM 1068 OE2 GLU A 72 2.139 -2.697 6.946 1.00 0.00 O ATOM 0 H GLU A 72 -1.087 -4.233 3.137 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.633 -3.038 5.809 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.231 -2.304 3.030 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.181 -0.992 4.116 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.963 -3.099 4.503 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.189 -1.378 4.265 1.00 0.00 H new ATOM 1075 N PRO A 73 -3.125 -2.548 5.656 1.00 0.00 N ATOM 1076 CA PRO A 73 -4.481 -1.994 5.714 1.00 0.00 C ATOM 1077 C PRO A 73 -4.485 -0.500 6.019 1.00 0.00 C ATOM 1078 O PRO A 73 -3.677 -0.016 6.812 1.00 0.00 O ATOM 1079 CB PRO A 73 -5.135 -2.775 6.857 1.00 0.00 C ATOM 1080 CG PRO A 73 -4.000 -3.204 7.720 1.00 0.00 C ATOM 1081 CD PRO A 73 -2.840 -3.440 6.793 1.00 0.00 C ATOM 0 HA PRO A 73 -5.001 -2.090 4.761 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.839 -2.153 7.409 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.693 -3.633 6.482 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.760 -2.439 8.458 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.250 -4.111 8.271 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.890 -3.195 7.268 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.781 -4.483 6.481 1.00 0.00 H new ATOM 1089 N VAL A 74 -5.400 0.227 5.385 1.00 0.00 N ATOM 1090 CA VAL A 74 -5.510 1.666 5.590 1.00 0.00 C ATOM 1091 C VAL A 74 -6.758 2.013 6.394 1.00 0.00 C ATOM 1092 O VAL A 74 -7.876 1.950 5.883 1.00 0.00 O ATOM 1093 CB VAL A 74 -5.549 2.423 4.249 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -5.580 3.925 4.484 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -4.360 2.034 3.383 1.00 0.00 C ATOM 0 H VAL A 74 -6.076 -0.158 4.725 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.625 1.975 6.147 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.461 2.144 3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.607 4.443 3.525 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.467 4.185 5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.688 4.226 5.033 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.404 2.578 2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.435 2.282 3.903 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.389 0.962 3.185 1.00 0.00 H new ATOM 1105 N VAL A 75 -6.559 2.380 7.656 1.00 0.00 N ATOM 1106 CA VAL A 75 -7.668 2.739 8.532 1.00 0.00 C ATOM 1107 C VAL A 75 -8.412 3.960 8.004 1.00 0.00 C ATOM 1108 O VAL A 75 -7.889 4.711 7.181 1.00 0.00 O ATOM 1109 CB VAL A 75 -7.182 3.027 9.964 1.00 0.00 C ATOM 1110 CG1 VAL A 75 -6.449 1.821 10.532 1.00 0.00 C ATOM 1111 CG2 VAL A 75 -6.293 4.261 9.987 1.00 0.00 C ATOM 0 H VAL A 75 -5.640 2.437 8.095 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.345 1.885 8.552 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.052 3.222 10.592 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.113 2.043 11.545 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.121 0.963 10.553 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.587 1.591 9.906 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.959 4.450 11.007 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.427 4.097 9.346 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.855 5.121 9.625 1.00 0.00 H new ATOM 1121 N GLY A 76 -9.637 4.154 8.484 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.433 5.287 8.049 1.00 0.00 C ATOM 1123 C GLY A 76 -10.539 5.376 6.540 1.00 0.00 C ATOM 1124 O GLY A 76 -9.958 4.564 5.821 1.00 0.00 O ATOM 0 H GLY A 76 -10.092 3.547 9.166 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.433 5.210 8.476 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.992 6.206 8.434 1.00 0.00 H new ATOM 1128 N ASN A 77 -11.285 6.365 6.058 1.00 0.00 N ATOM 1129 CA ASN A 77 -11.468 6.556 4.624 1.00 0.00 C ATOM 1130 C ASN A 77 -10.274 7.286 4.016 1.00 0.00 C ATOM 1131 O ASN A 77 -10.426 8.342 3.402 1.00 0.00 O ATOM 1132 CB ASN A 77 -12.752 7.341 4.352 1.00 0.00 C ATOM 1133 CG ASN A 77 -12.893 8.551 5.257 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -12.511 9.662 4.890 1.00 0.00 O ATOM 1135 ND2 ASN A 77 -13.443 8.338 6.446 1.00 0.00 N ATOM 0 H ASN A 77 -11.772 7.046 6.640 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.546 5.573 4.159 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.763 7.666 3.312 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -13.612 6.685 4.490 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.564 9.113 7.098 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -13.745 7.399 6.707 1.00 0.00 H new ATOM 1142 N ARG A 78 -9.086 6.715 4.191 1.00 0.00 N ATOM 1143 CA ARG A 78 -7.866 7.311 3.660 1.00 0.00 C ATOM 1144 C ARG A 78 -7.418 6.592 2.391 1.00 0.00 C ATOM 1145 O ARG A 78 -7.493 5.366 2.299 1.00 0.00 O ATOM 1146 CB ARG A 78 -6.752 7.262 4.707 1.00 0.00 C ATOM 1147 CG ARG A 78 -5.732 8.380 4.564 1.00 0.00 C ATOM 1148 CD ARG A 78 -5.034 8.669 5.883 1.00 0.00 C ATOM 1149 NE ARG A 78 -3.996 9.687 5.741 1.00 0.00 N ATOM 1150 CZ ARG A 78 -3.565 10.442 6.745 1.00 0.00 C ATOM 1151 NH1 ARG A 78 -4.079 10.294 7.959 1.00 0.00 N ATOM 1152 NH2 ARG A 78 -2.617 11.347 6.537 1.00 0.00 N ATOM 0 H ARG A 78 -8.943 5.841 4.696 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.077 8.351 3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.197 7.312 5.701 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.239 6.303 4.635 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.992 8.105 3.812 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.228 9.283 4.208 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.769 9.000 6.617 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.591 7.750 6.268 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.579 9.826 4.820 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.807 9.599 8.123 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.746 10.875 8.728 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.219 11.463 5.605 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.287 11.926 7.309 1.00 0.00 H new ATOM 1166 N LEU A 79 -6.951 7.363 1.415 1.00 0.00 N ATOM 1167 CA LEU A 79 -6.490 6.800 0.150 1.00 0.00 C ATOM 1168 C LEU A 79 -4.978 6.944 0.009 1.00 0.00 C ATOM 1169 O LEU A 79 -4.417 6.698 -1.059 1.00 0.00 O ATOM 1170 CB LEU A 79 -7.191 7.489 -1.023 1.00 0.00 C ATOM 1171 CG LEU A 79 -8.714 7.589 -0.929 1.00 0.00 C ATOM 1172 CD1 LEU A 79 -9.227 8.741 -1.779 1.00 0.00 C ATOM 1173 CD2 LEU A 79 -9.362 6.280 -1.356 1.00 0.00 C ATOM 0 H LEU A 79 -6.881 8.379 1.475 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.738 5.739 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.786 8.496 -1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.938 6.953 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.982 7.783 0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.313 8.796 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.789 9.675 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.947 8.578 -2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.446 6.370 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.085 6.056 -2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.020 5.475 -0.705 1.00 0.00 H new ATOM 1185 N THR A 80 -4.323 7.343 1.094 1.00 0.00 N ATOM 1186 CA THR A 80 -2.876 7.518 1.093 1.00 0.00 C ATOM 1187 C THR A 80 -2.233 6.797 2.271 1.00 0.00 C ATOM 1188 O THR A 80 -2.753 6.823 3.387 1.00 0.00 O ATOM 1189 CB THR A 80 -2.491 9.009 1.146 1.00 0.00 C ATOM 1190 OG1 THR A 80 -1.068 9.144 1.233 1.00 0.00 O ATOM 1191 CG2 THR A 80 -3.144 9.694 2.336 1.00 0.00 C ATOM 0 H THR A 80 -4.772 7.551 1.986 1.00 0.00 H new ATOM 0 HA THR A 80 -2.507 7.087 0.162 1.00 0.00 H new ATOM 0 HB THR A 80 -2.846 9.486 0.233 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.831 10.094 1.265 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.858 10.746 2.353 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.228 9.614 2.252 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.815 9.214 3.258 1.00 0.00 H new ATOM 1199 N HIS A 81 -1.098 6.152 2.017 1.00 0.00 N ATOM 1200 CA HIS A 81 -0.383 5.424 3.059 1.00 0.00 C ATOM 1201 C HIS A 81 1.083 5.843 3.106 1.00 0.00 C ATOM 1202 O HIS A 81 1.668 6.200 2.085 1.00 0.00 O ATOM 1203 CB HIS A 81 -0.487 3.917 2.820 1.00 0.00 C ATOM 1204 CG HIS A 81 -0.131 3.095 4.020 1.00 0.00 C ATOM 1205 ND1 HIS A 81 -0.371 3.507 5.314 1.00 0.00 N ATOM 1206 CD2 HIS A 81 0.449 1.876 4.117 1.00 0.00 C ATOM 1207 CE1 HIS A 81 0.048 2.579 6.155 1.00 0.00 C ATOM 1208 NE2 HIS A 81 0.550 1.578 5.454 1.00 0.00 N ATOM 0 H HIS A 81 -0.654 6.119 1.099 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.843 5.665 4.017 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.505 3.675 2.513 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.169 3.642 1.994 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.772 1.253 3.296 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.010 2.630 7.232 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.948 0.723 5.842 1.00 0.00 H new ATOM 1217 N GLN A 82 1.668 5.798 4.299 1.00 0.00 N ATOM 1218 CA GLN A 82 3.065 6.175 4.478 1.00 0.00 C ATOM 1219 C GLN A 82 3.880 5.003 5.016 1.00 0.00 C ATOM 1220 O GLN A 82 3.909 4.757 6.223 1.00 0.00 O ATOM 1221 CB GLN A 82 3.175 7.368 5.429 1.00 0.00 C ATOM 1222 CG GLN A 82 2.752 8.686 4.803 1.00 0.00 C ATOM 1223 CD GLN A 82 2.208 9.669 5.821 1.00 0.00 C ATOM 1224 OE1 GLN A 82 0.996 9.793 5.995 1.00 0.00 O ATOM 1225 NE2 GLN A 82 3.105 10.373 6.502 1.00 0.00 N ATOM 0 H GLN A 82 1.197 5.505 5.155 1.00 0.00 H new ATOM 0 HA GLN A 82 3.467 6.457 3.505 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.559 7.179 6.308 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.206 7.453 5.774 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.606 9.132 4.293 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.992 8.496 4.045 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.100 10.238 6.325 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.798 11.049 7.202 1.00 0.00 H new ATOM 1234 N ILE A 83 4.540 4.284 4.115 1.00 0.00 N ATOM 1235 CA ILE A 83 5.356 3.139 4.500 1.00 0.00 C ATOM 1236 C ILE A 83 6.806 3.551 4.732 1.00 0.00 C ATOM 1237 O ILE A 83 7.358 4.360 3.988 1.00 0.00 O ATOM 1238 CB ILE A 83 5.314 2.033 3.430 1.00 0.00 C ATOM 1239 CG1 ILE A 83 3.866 1.708 3.058 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.030 0.787 3.928 1.00 0.00 C ATOM 1241 CD1 ILE A 83 3.741 0.779 1.871 1.00 0.00 C ATOM 0 H ILE A 83 4.526 4.474 3.113 1.00 0.00 H new ATOM 0 HA ILE A 83 4.937 2.751 5.429 1.00 0.00 H new ATOM 0 HB ILE A 83 5.827 2.392 2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.372 1.255 3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.338 2.636 2.840 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.992 0.014 3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 83 7.070 1.028 4.148 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.542 0.424 4.833 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.687 0.592 1.664 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.206 1.238 0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.240 -0.164 2.093 1.00 0.00 H new ATOM 1253 N GLN A 84 7.417 2.986 5.769 1.00 0.00 N ATOM 1254 CA GLN A 84 8.803 3.294 6.099 1.00 0.00 C ATOM 1255 C GLN A 84 9.620 2.016 6.261 1.00 0.00 C ATOM 1256 O GLN A 84 9.098 0.912 6.114 1.00 0.00 O ATOM 1257 CB GLN A 84 8.872 4.124 7.381 1.00 0.00 C ATOM 1258 CG GLN A 84 7.672 5.035 7.582 1.00 0.00 C ATOM 1259 CD GLN A 84 8.005 6.268 8.399 1.00 0.00 C ATOM 1260 OE1 GLN A 84 8.872 6.232 9.273 1.00 0.00 O ATOM 1261 NE2 GLN A 84 7.317 7.368 8.118 1.00 0.00 N ATOM 0 H GLN A 84 6.974 2.313 6.394 1.00 0.00 H new ATOM 0 HA GLN A 84 9.226 3.873 5.278 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.954 3.452 8.235 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.778 4.729 7.364 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.287 5.341 6.610 1.00 0.00 H new ATOM 0 HG3 GLN A 84 6.877 4.478 8.079 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.607 7.353 7.385 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.498 8.229 8.635 1.00 0.00 H new ATOM 1270 N GLU A 85 10.905 2.176 6.565 1.00 0.00 N ATOM 1271 CA GLU A 85 11.794 1.034 6.746 1.00 0.00 C ATOM 1272 C GLU A 85 11.838 0.174 5.486 1.00 0.00 C ATOM 1273 O GLU A 85 11.642 -1.041 5.543 1.00 0.00 O ATOM 1274 CB GLU A 85 11.339 0.190 7.938 1.00 0.00 C ATOM 1275 CG GLU A 85 11.444 0.912 9.270 1.00 0.00 C ATOM 1276 CD GLU A 85 11.377 -0.034 10.454 1.00 0.00 C ATOM 1277 OE1 GLU A 85 12.079 -1.067 10.426 1.00 0.00 O ATOM 1278 OE2 GLU A 85 10.625 0.258 11.406 1.00 0.00 O ATOM 0 H GLU A 85 11.353 3.084 6.691 1.00 0.00 H new ATOM 0 HA GLU A 85 12.797 1.414 6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.305 -0.117 7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.939 -0.719 7.979 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.382 1.466 9.305 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.639 1.642 9.347 1.00 0.00 H new ATOM 1285 N LEU A 86 12.096 0.812 4.350 1.00 0.00 N ATOM 1286 CA LEU A 86 12.166 0.107 3.075 1.00 0.00 C ATOM 1287 C LEU A 86 13.600 0.056 2.558 1.00 0.00 C ATOM 1288 O LEU A 86 14.380 0.986 2.768 1.00 0.00 O ATOM 1289 CB LEU A 86 11.263 0.786 2.044 1.00 0.00 C ATOM 1290 CG LEU A 86 9.772 0.463 2.140 1.00 0.00 C ATOM 1291 CD1 LEU A 86 8.971 1.352 1.201 1.00 0.00 C ATOM 1292 CD2 LEU A 86 9.523 -1.006 1.828 1.00 0.00 C ATOM 0 H LEU A 86 12.260 1.817 4.286 1.00 0.00 H new ATOM 0 HA LEU A 86 11.821 -0.915 3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.387 1.865 2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.611 0.510 1.049 1.00 0.00 H new ATOM 0 HG LEU A 86 9.443 0.658 3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.912 1.107 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.124 2.397 1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.302 1.190 0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.456 -1.218 1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.868 -1.227 0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.066 -1.626 2.541 1.00 0.00 H new ATOM 1304 N THR A 87 13.941 -1.034 1.879 1.00 0.00 N ATOM 1305 CA THR A 87 15.280 -1.206 1.330 1.00 0.00 C ATOM 1306 C THR A 87 15.498 -0.305 0.120 1.00 0.00 C ATOM 1307 O THR A 87 14.666 -0.253 -0.786 1.00 0.00 O ATOM 1308 CB THR A 87 15.536 -2.668 0.920 1.00 0.00 C ATOM 1309 OG1 THR A 87 14.879 -3.555 1.832 1.00 0.00 O ATOM 1310 CG2 THR A 87 17.027 -2.970 0.896 1.00 0.00 C ATOM 0 H THR A 87 13.307 -1.812 1.696 1.00 0.00 H new ATOM 0 HA THR A 87 15.982 -0.929 2.117 1.00 0.00 H new ATOM 0 HB THR A 87 15.135 -2.817 -0.083 1.00 0.00 H new ATOM 0 HG1 THR A 87 13.960 -3.713 1.530 1.00 0.00 H new ATOM 0 HG21 THR A 87 17.183 -4.008 0.604 1.00 0.00 H new ATOM 0 HG22 THR A 87 17.520 -2.313 0.179 1.00 0.00 H new ATOM 0 HG23 THR A 87 17.448 -2.805 1.888 1.00 0.00 H new ATOM 1318 N LEU A 88 16.622 0.403 0.111 1.00 0.00 N ATOM 1319 CA LEU A 88 16.951 1.302 -0.990 1.00 0.00 C ATOM 1320 C LEU A 88 17.561 0.534 -2.158 1.00 0.00 C ATOM 1321 O LEU A 88 17.759 -0.679 -2.080 1.00 0.00 O ATOM 1322 CB LEU A 88 17.920 2.387 -0.516 1.00 0.00 C ATOM 1323 CG LEU A 88 17.584 3.050 0.820 1.00 0.00 C ATOM 1324 CD1 LEU A 88 18.797 3.782 1.372 1.00 0.00 C ATOM 1325 CD2 LEU A 88 16.410 4.005 0.661 1.00 0.00 C ATOM 0 H LEU A 88 17.321 0.372 0.853 1.00 0.00 H new ATOM 0 HA LEU A 88 16.028 1.771 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 88 18.916 1.949 -0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 88 17.969 3.162 -1.281 1.00 0.00 H new ATOM 0 HG LEU A 88 17.301 2.272 1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.539 4.248 2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 88 19.611 3.074 1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 88 19.111 4.550 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 88 16.185 4.468 1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.666 4.778 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 88 15.537 3.454 0.310 1.00 0.00 H new ATOM 1337 N ASP A 89 17.858 1.248 -3.238 1.00 0.00 N ATOM 1338 CA ASP A 89 18.450 0.633 -4.421 1.00 0.00 C ATOM 1339 C ASP A 89 17.885 -0.766 -4.647 1.00 0.00 C ATOM 1340 O ASP A 89 18.627 -1.711 -4.916 1.00 0.00 O ATOM 1341 CB ASP A 89 19.971 0.567 -4.281 1.00 0.00 C ATOM 1342 CG ASP A 89 20.628 -0.153 -5.442 1.00 0.00 C ATOM 1343 OD1 ASP A 89 20.048 -0.150 -6.548 1.00 0.00 O ATOM 1344 OD2 ASP A 89 21.724 -0.720 -5.245 1.00 0.00 O ATOM 0 H ASP A 89 17.699 2.252 -3.319 1.00 0.00 H new ATOM 0 HA ASP A 89 18.200 1.249 -5.284 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.371 1.579 -4.211 1.00 0.00 H new ATOM 0 HB3 ASP A 89 20.226 0.059 -3.351 1.00 0.00 H new ATOM 1349 N THR A 90 16.567 -0.892 -4.533 1.00 0.00 N ATOM 1350 CA THR A 90 15.903 -2.176 -4.723 1.00 0.00 C ATOM 1351 C THR A 90 14.502 -1.991 -5.295 1.00 0.00 C ATOM 1352 O THR A 90 13.740 -1.123 -4.869 1.00 0.00 O ATOM 1353 CB THR A 90 15.805 -2.958 -3.399 1.00 0.00 C ATOM 1354 OG1 THR A 90 17.116 -3.216 -2.885 1.00 0.00 O ATOM 1355 CG2 THR A 90 15.065 -4.272 -3.601 1.00 0.00 C ATOM 0 H THR A 90 15.938 -0.121 -4.310 1.00 0.00 H new ATOM 0 HA THR A 90 16.509 -2.744 -5.429 1.00 0.00 H new ATOM 0 HB THR A 90 15.248 -2.352 -2.684 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.504 -2.383 -2.546 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.008 -4.807 -2.653 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.058 -4.070 -3.965 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.599 -4.882 -4.330 1.00 0.00 H new ATOM 1363 N PRO A 91 14.151 -2.826 -6.284 1.00 0.00 N ATOM 1364 CA PRO A 91 12.839 -2.775 -6.936 1.00 0.00 C ATOM 1365 C PRO A 91 11.716 -3.238 -6.014 1.00 0.00 C ATOM 1366 O PRO A 91 11.747 -4.354 -5.495 1.00 0.00 O ATOM 1367 CB PRO A 91 12.992 -3.737 -8.117 1.00 0.00 C ATOM 1368 CG PRO A 91 14.065 -4.682 -7.700 1.00 0.00 C ATOM 1369 CD PRO A 91 15.009 -3.886 -6.842 1.00 0.00 C ATOM 0 HA PRO A 91 12.568 -1.760 -7.228 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.060 -4.263 -8.323 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.265 -3.205 -9.028 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.650 -5.524 -7.146 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.580 -5.095 -8.567 1.00 0.00 H new ATOM 0 HD2 PRO A 91 15.453 -4.499 -6.057 1.00 0.00 H new ATOM 0 HD3 PRO A 91 15.831 -3.472 -7.426 1.00 0.00 H new ATOM 1377 N TYR A 92 10.726 -2.375 -5.816 1.00 0.00 N ATOM 1378 CA TYR A 92 9.594 -2.695 -4.955 1.00 0.00 C ATOM 1379 C TYR A 92 8.277 -2.553 -5.712 1.00 0.00 C ATOM 1380 O TYR A 92 7.998 -1.511 -6.306 1.00 0.00 O ATOM 1381 CB TYR A 92 9.588 -1.787 -3.725 1.00 0.00 C ATOM 1382 CG TYR A 92 10.351 -2.354 -2.549 1.00 0.00 C ATOM 1383 CD1 TYR A 92 9.741 -3.226 -1.656 1.00 0.00 C ATOM 1384 CD2 TYR A 92 11.682 -2.019 -2.332 1.00 0.00 C ATOM 1385 CE1 TYR A 92 10.433 -3.747 -0.580 1.00 0.00 C ATOM 1386 CE2 TYR A 92 12.383 -2.536 -1.260 1.00 0.00 C ATOM 1387 CZ TYR A 92 11.754 -3.399 -0.386 1.00 0.00 C ATOM 1388 OH TYR A 92 12.448 -3.915 0.684 1.00 0.00 O ATOM 0 H TYR A 92 10.685 -1.448 -6.240 1.00 0.00 H new ATOM 0 HA TYR A 92 9.698 -3.731 -4.632 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.017 -0.822 -3.994 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.556 -1.604 -3.424 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.707 -3.501 -1.806 1.00 0.00 H new ATOM 0 HD2 TYR A 92 12.177 -1.343 -3.013 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.943 -4.423 0.105 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.418 -2.266 -1.107 1.00 0.00 H new ATOM 0 HH TYR A 92 12.093 -4.801 0.907 1.00 0.00 H new ATOM 1398 N TYR A 93 7.470 -3.608 -5.686 1.00 0.00 N ATOM 1399 CA TYR A 93 6.183 -3.603 -6.370 1.00 0.00 C ATOM 1400 C TYR A 93 5.039 -3.409 -5.379 1.00 0.00 C ATOM 1401 O TYR A 93 4.860 -4.204 -4.457 1.00 0.00 O ATOM 1402 CB TYR A 93 5.987 -4.909 -7.142 1.00 0.00 C ATOM 1403 CG TYR A 93 7.221 -5.361 -7.890 1.00 0.00 C ATOM 1404 CD1 TYR A 93 8.250 -6.026 -7.235 1.00 0.00 C ATOM 1405 CD2 TYR A 93 7.356 -5.125 -9.253 1.00 0.00 C ATOM 1406 CE1 TYR A 93 9.379 -6.440 -7.915 1.00 0.00 C ATOM 1407 CE2 TYR A 93 8.481 -5.536 -9.941 1.00 0.00 C ATOM 1408 CZ TYR A 93 9.490 -6.193 -9.267 1.00 0.00 C ATOM 1409 OH TYR A 93 10.613 -6.605 -9.948 1.00 0.00 O ATOM 0 H TYR A 93 7.685 -4.478 -5.198 1.00 0.00 H new ATOM 0 HA TYR A 93 6.177 -2.769 -7.072 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.688 -5.692 -6.445 1.00 0.00 H new ATOM 0 HB3 TYR A 93 5.168 -4.783 -7.851 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.166 -6.223 -6.176 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.568 -4.611 -9.783 1.00 0.00 H new ATOM 0 HE1 TYR A 93 10.171 -6.954 -7.390 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.570 -5.344 -11.000 1.00 0.00 H new ATOM 0 HH TYR A 93 10.533 -6.355 -10.892 1.00 0.00 H new ATOM 1419 N PHE A 94 4.268 -2.345 -5.577 1.00 0.00 N ATOM 1420 CA PHE A 94 3.141 -2.045 -4.702 1.00 0.00 C ATOM 1421 C PHE A 94 1.817 -2.366 -5.389 1.00 0.00 C ATOM 1422 O PHE A 94 1.728 -2.375 -6.617 1.00 0.00 O ATOM 1423 CB PHE A 94 3.169 -0.572 -4.287 1.00 0.00 C ATOM 1424 CG PHE A 94 4.489 -0.135 -3.718 1.00 0.00 C ATOM 1425 CD1 PHE A 94 4.766 -0.299 -2.371 1.00 0.00 C ATOM 1426 CD2 PHE A 94 5.452 0.441 -4.531 1.00 0.00 C ATOM 1427 CE1 PHE A 94 5.979 0.103 -1.845 1.00 0.00 C ATOM 1428 CE2 PHE A 94 6.667 0.845 -4.011 1.00 0.00 C ATOM 1429 CZ PHE A 94 6.931 0.675 -2.666 1.00 0.00 C ATOM 0 H PHE A 94 4.403 -1.676 -6.335 1.00 0.00 H new ATOM 0 HA PHE A 94 3.228 -2.669 -3.812 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.933 0.046 -5.153 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.387 -0.396 -3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 94 4.026 -0.746 -1.724 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.251 0.576 -5.583 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.182 -0.030 -0.793 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.409 1.293 -4.655 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.880 0.989 -2.257 1.00 0.00 H new ATOM 1439 N LYS A 95 0.791 -2.630 -4.588 1.00 0.00 N ATOM 1440 CA LYS A 95 -0.530 -2.952 -5.116 1.00 0.00 C ATOM 1441 C LYS A 95 -1.627 -2.374 -4.228 1.00 0.00 C ATOM 1442 O LYS A 95 -1.563 -2.475 -3.002 1.00 0.00 O ATOM 1443 CB LYS A 95 -0.700 -4.468 -5.234 1.00 0.00 C ATOM 1444 CG LYS A 95 -0.094 -5.052 -6.498 1.00 0.00 C ATOM 1445 CD LYS A 95 -0.847 -6.289 -6.958 1.00 0.00 C ATOM 1446 CE LYS A 95 -0.318 -7.546 -6.285 1.00 0.00 C ATOM 1447 NZ LYS A 95 0.781 -8.175 -7.071 1.00 0.00 N ATOM 0 H LYS A 95 0.848 -2.627 -3.570 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.616 -2.505 -6.107 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.242 -4.945 -4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.763 -4.709 -5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.107 -4.302 -7.289 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.950 -5.307 -6.318 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.908 -6.174 -6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.758 -6.389 -8.040 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.044 -7.299 -5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.131 -8.261 -6.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.627 -9.202 -7.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.792 -7.778 -8.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.692 -7.985 -6.607 1.00 0.00 H new ATOM 1461 N ILE A 96 -2.632 -1.771 -4.853 1.00 0.00 N ATOM 1462 CA ILE A 96 -3.744 -1.180 -4.119 1.00 0.00 C ATOM 1463 C ILE A 96 -5.017 -1.999 -4.296 1.00 0.00 C ATOM 1464 O ILE A 96 -5.242 -2.594 -5.350 1.00 0.00 O ATOM 1465 CB ILE A 96 -4.011 0.268 -4.571 1.00 0.00 C ATOM 1466 CG1 ILE A 96 -2.791 1.147 -4.289 1.00 0.00 C ATOM 1467 CG2 ILE A 96 -5.244 0.822 -3.872 1.00 0.00 C ATOM 1468 CD1 ILE A 96 -2.750 2.409 -5.122 1.00 0.00 C ATOM 0 H ILE A 96 -2.699 -1.679 -5.867 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.461 -1.177 -3.066 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.195 0.270 -5.645 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.785 1.418 -3.233 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.886 0.569 -4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.420 1.846 -4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -6.110 0.207 -4.120 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.087 0.810 -2.793 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.859 2.983 -4.869 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.725 2.146 -6.180 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.637 3.008 -4.918 1.00 0.00 H new ATOM 1480 N GLN A 97 -5.847 -2.025 -3.258 1.00 0.00 N ATOM 1481 CA GLN A 97 -7.099 -2.771 -3.300 1.00 0.00 C ATOM 1482 C GLN A 97 -8.184 -2.059 -2.498 1.00 0.00 C ATOM 1483 O GLN A 97 -7.957 -1.642 -1.363 1.00 0.00 O ATOM 1484 CB GLN A 97 -6.893 -4.186 -2.757 1.00 0.00 C ATOM 1485 CG GLN A 97 -8.179 -4.989 -2.648 1.00 0.00 C ATOM 1486 CD GLN A 97 -8.488 -5.771 -3.909 1.00 0.00 C ATOM 1487 OE1 GLN A 97 -8.755 -5.193 -4.962 1.00 0.00 O ATOM 1488 NE2 GLN A 97 -8.452 -7.095 -3.809 1.00 0.00 N ATOM 0 H GLN A 97 -5.675 -1.538 -2.378 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.421 -2.832 -4.339 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.197 -4.717 -3.406 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.428 -4.125 -1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -8.102 -5.679 -1.807 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.007 -4.314 -2.432 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.226 -7.533 -2.916 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.650 -7.674 -4.625 1.00 0.00 H new ATOM 1497 N ALA A 98 -9.363 -1.924 -3.097 1.00 0.00 N ATOM 1498 CA ALA A 98 -10.483 -1.265 -2.438 1.00 0.00 C ATOM 1499 C ALA A 98 -11.495 -2.283 -1.924 1.00 0.00 C ATOM 1500 O ALA A 98 -12.008 -3.102 -2.688 1.00 0.00 O ATOM 1501 CB ALA A 98 -11.154 -0.285 -3.390 1.00 0.00 C ATOM 0 H ALA A 98 -9.567 -2.262 -4.037 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.094 -0.714 -1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -11.989 0.200 -2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.432 0.469 -3.704 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.522 -0.821 -4.265 1.00 0.00 H new ATOM 1507 N ARG A 99 -11.778 -2.227 -0.627 1.00 0.00 N ATOM 1508 CA ARG A 99 -12.728 -3.147 -0.012 1.00 0.00 C ATOM 1509 C ARG A 99 -13.846 -2.383 0.692 1.00 0.00 C ATOM 1510 O ARG A 99 -13.636 -1.281 1.196 1.00 0.00 O ATOM 1511 CB ARG A 99 -12.013 -4.060 0.986 1.00 0.00 C ATOM 1512 CG ARG A 99 -12.888 -4.494 2.150 1.00 0.00 C ATOM 1513 CD ARG A 99 -12.347 -5.748 2.817 1.00 0.00 C ATOM 1514 NE ARG A 99 -13.057 -6.061 4.054 1.00 0.00 N ATOM 1515 CZ ARG A 99 -12.543 -6.801 5.030 1.00 0.00 C ATOM 1516 NH1 ARG A 99 -11.321 -7.301 4.914 1.00 0.00 N ATOM 1517 NH2 ARG A 99 -13.252 -7.041 6.126 1.00 0.00 N ATOM 0 H ARG A 99 -11.363 -1.555 0.018 1.00 0.00 H new ATOM 0 HA ARG A 99 -13.168 -3.757 -0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -11.654 -4.946 0.462 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.136 -3.543 1.375 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -12.948 -3.688 2.882 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -13.902 -4.678 1.795 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.430 -6.589 2.129 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.287 -5.615 3.032 1.00 0.00 H new ATOM 0 HE ARG A 99 -14.000 -5.691 4.175 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.773 -7.118 4.074 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.929 -7.869 5.665 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -14.192 -6.657 6.219 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.857 -7.609 6.875 1.00 0.00 H new ATOM 1531 N ASN A 100 -15.034 -2.978 0.721 1.00 0.00 N ATOM 1532 CA ASN A 100 -16.186 -2.354 1.362 1.00 0.00 C ATOM 1533 C ASN A 100 -16.827 -3.301 2.372 1.00 0.00 C ATOM 1534 O ASN A 100 -16.323 -4.398 2.616 1.00 0.00 O ATOM 1535 CB ASN A 100 -17.217 -1.937 0.311 1.00 0.00 C ATOM 1536 CG ASN A 100 -17.534 -3.056 -0.662 1.00 0.00 C ATOM 1537 OD1 ASN A 100 -16.811 -4.048 -0.742 1.00 0.00 O ATOM 1538 ND2 ASN A 100 -18.621 -2.899 -1.409 1.00 0.00 N ATOM 0 H ASN A 100 -15.224 -3.891 0.308 1.00 0.00 H new ATOM 0 HA ASN A 100 -15.839 -1.467 1.892 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -18.134 -1.622 0.810 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -16.842 -1.075 -0.240 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -18.885 -3.618 -2.083 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -19.192 -2.059 -1.309 1.00 0.00 H new ATOM 1545 N SER A 101 -17.941 -2.871 2.955 1.00 0.00 N ATOM 1546 CA SER A 101 -18.650 -3.679 3.940 1.00 0.00 C ATOM 1547 C SER A 101 -18.766 -5.127 3.473 1.00 0.00 C ATOM 1548 O SER A 101 -18.957 -6.038 4.279 1.00 0.00 O ATOM 1549 CB SER A 101 -20.042 -3.101 4.198 1.00 0.00 C ATOM 1550 OG SER A 101 -20.639 -3.697 5.337 1.00 0.00 O ATOM 0 H SER A 101 -18.372 -1.967 2.762 1.00 0.00 H new ATOM 0 HA SER A 101 -18.079 -3.660 4.868 1.00 0.00 H new ATOM 0 HB2 SER A 101 -19.970 -2.023 4.343 1.00 0.00 H new ATOM 0 HB3 SER A 101 -20.674 -3.264 3.325 1.00 0.00 H new ATOM 0 HG SER A 101 -21.527 -3.309 5.481 1.00 0.00 H new ATOM 1556 N LYS A 102 -18.649 -5.331 2.166 1.00 0.00 N ATOM 1557 CA LYS A 102 -18.739 -6.667 1.588 1.00 0.00 C ATOM 1558 C LYS A 102 -17.386 -7.371 1.631 1.00 0.00 C ATOM 1559 O LYS A 102 -17.163 -8.258 2.453 1.00 0.00 O ATOM 1560 CB LYS A 102 -19.240 -6.588 0.144 1.00 0.00 C ATOM 1561 CG LYS A 102 -20.723 -6.283 0.031 1.00 0.00 C ATOM 1562 CD LYS A 102 -21.571 -7.469 0.457 1.00 0.00 C ATOM 1563 CE LYS A 102 -22.976 -7.038 0.848 1.00 0.00 C ATOM 1564 NZ LYS A 102 -23.856 -8.206 1.133 1.00 0.00 N ATOM 0 H LYS A 102 -18.491 -4.588 1.486 1.00 0.00 H new ATOM 0 HA LYS A 102 -19.448 -7.245 2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.678 -5.818 -0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -19.033 -7.534 -0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -20.966 -5.420 0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -20.963 -6.014 -0.998 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -21.624 -8.191 -0.358 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -21.096 -7.973 1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -22.927 -6.397 1.728 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -23.410 -6.444 0.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -24.805 -7.870 1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -23.923 -8.805 0.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -23.455 -8.759 1.917 1.00 0.00 H new ATOM 1578 N GLY A 103 -16.486 -6.967 0.740 1.00 0.00 N ATOM 1579 CA GLY A 103 -15.166 -7.569 0.695 1.00 0.00 C ATOM 1580 C GLY A 103 -14.190 -6.763 -0.140 1.00 0.00 C ATOM 1581 O GLY A 103 -14.306 -5.542 -0.236 1.00 0.00 O ATOM 0 H GLY A 103 -16.647 -6.234 0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -14.779 -7.665 1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -15.243 -8.577 0.287 1.00 0.00 H new ATOM 1585 N MET A 104 -13.224 -7.448 -0.743 1.00 0.00 N ATOM 1586 CA MET A 104 -12.223 -6.787 -1.573 1.00 0.00 C ATOM 1587 C MET A 104 -12.600 -6.871 -3.049 1.00 0.00 C ATOM 1588 O MET A 104 -13.495 -7.624 -3.429 1.00 0.00 O ATOM 1589 CB MET A 104 -10.847 -7.417 -1.349 1.00 0.00 C ATOM 1590 CG MET A 104 -10.331 -7.260 0.072 1.00 0.00 C ATOM 1591 SD MET A 104 -8.796 -8.161 0.357 1.00 0.00 S ATOM 1592 CE MET A 104 -9.427 -9.727 0.956 1.00 0.00 C ATOM 0 H MET A 104 -13.113 -8.459 -0.673 1.00 0.00 H new ATOM 0 HA MET A 104 -12.184 -5.736 -1.285 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.898 -8.478 -1.593 1.00 0.00 H new ATOM 0 HB3 MET A 104 -10.133 -6.966 -2.038 1.00 0.00 H new ATOM 0 HG2 MET A 104 -10.171 -6.202 0.282 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.090 -7.612 0.771 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.594 -10.394 1.177 1.00 0.00 H new ATOM 0 HE2 MET A 104 -10.010 -9.562 1.862 1.00 0.00 H new ATOM 0 HE3 MET A 104 -10.062 -10.179 0.194 1.00 0.00 H new ATOM 1602 N GLY A 105 -11.910 -6.092 -3.877 1.00 0.00 N ATOM 1603 CA GLY A 105 -12.187 -6.093 -5.301 1.00 0.00 C ATOM 1604 C GLY A 105 -11.009 -6.582 -6.121 1.00 0.00 C ATOM 1605 O GLY A 105 -10.163 -7.337 -5.641 1.00 0.00 O ATOM 0 H GLY A 105 -11.164 -5.460 -3.586 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -13.052 -6.726 -5.499 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -12.452 -5.084 -5.617 1.00 0.00 H new ATOM 1609 N PRO A 106 -10.945 -6.149 -7.388 1.00 0.00 N ATOM 1610 CA PRO A 106 -9.867 -6.535 -8.303 1.00 0.00 C ATOM 1611 C PRO A 106 -8.529 -5.912 -7.919 1.00 0.00 C ATOM 1612 O PRO A 106 -8.471 -4.762 -7.487 1.00 0.00 O ATOM 1613 CB PRO A 106 -10.339 -5.996 -9.656 1.00 0.00 C ATOM 1614 CG PRO A 106 -11.249 -4.866 -9.317 1.00 0.00 C ATOM 1615 CD PRO A 106 -11.920 -5.247 -8.026 1.00 0.00 C ATOM 0 HA PRO A 106 -9.692 -7.611 -8.295 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.499 -5.659 -10.263 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.858 -6.764 -10.229 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.692 -3.936 -9.207 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -11.984 -4.706 -10.106 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -12.125 -4.374 -7.407 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -12.874 -5.745 -8.200 1.00 0.00 H new ATOM 1623 N MET A 107 -7.456 -6.680 -8.081 1.00 0.00 N ATOM 1624 CA MET A 107 -6.119 -6.201 -7.753 1.00 0.00 C ATOM 1625 C MET A 107 -5.525 -5.407 -8.912 1.00 0.00 C ATOM 1626 O MET A 107 -5.625 -5.814 -10.070 1.00 0.00 O ATOM 1627 CB MET A 107 -5.204 -7.377 -7.403 1.00 0.00 C ATOM 1628 CG MET A 107 -5.307 -7.816 -5.952 1.00 0.00 C ATOM 1629 SD MET A 107 -4.097 -9.082 -5.522 1.00 0.00 S ATOM 1630 CE MET A 107 -4.703 -9.599 -3.917 1.00 0.00 C ATOM 0 H MET A 107 -7.487 -7.635 -8.437 1.00 0.00 H new ATOM 0 HA MET A 107 -6.199 -5.542 -6.888 1.00 0.00 H new ATOM 0 HB2 MET A 107 -5.448 -8.221 -8.048 1.00 0.00 H new ATOM 0 HB3 MET A 107 -4.172 -7.100 -7.618 1.00 0.00 H new ATOM 0 HG2 MET A 107 -5.168 -6.951 -5.304 1.00 0.00 H new ATOM 0 HG3 MET A 107 -6.310 -8.198 -5.762 1.00 0.00 H new ATOM 0 HE1 MET A 107 -4.484 -10.657 -3.769 1.00 0.00 H new ATOM 0 HE2 MET A 107 -4.214 -9.015 -3.138 1.00 0.00 H new ATOM 0 HE3 MET A 107 -5.780 -9.441 -3.867 1.00 0.00 H new ATOM 1640 N SER A 108 -4.908 -4.274 -8.594 1.00 0.00 N ATOM 1641 CA SER A 108 -4.302 -3.422 -9.610 1.00 0.00 C ATOM 1642 C SER A 108 -3.045 -4.069 -10.183 1.00 0.00 C ATOM 1643 O SER A 108 -2.570 -5.084 -9.674 1.00 0.00 O ATOM 1644 CB SER A 108 -3.960 -2.052 -9.019 1.00 0.00 C ATOM 1645 OG SER A 108 -2.929 -2.157 -8.053 1.00 0.00 O ATOM 0 H SER A 108 -4.815 -3.925 -7.640 1.00 0.00 H new ATOM 0 HA SER A 108 -5.023 -3.292 -10.417 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.649 -1.376 -9.816 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.849 -1.618 -8.561 1.00 0.00 H new ATOM 0 HG SER A 108 -2.617 -1.261 -7.809 1.00 0.00 H new ATOM 1651 N GLU A 109 -2.512 -3.474 -11.245 1.00 0.00 N ATOM 1652 CA GLU A 109 -1.310 -3.993 -11.888 1.00 0.00 C ATOM 1653 C GLU A 109 -0.066 -3.651 -11.074 1.00 0.00 C ATOM 1654 O GLU A 109 0.176 -2.489 -10.749 1.00 0.00 O ATOM 1655 CB GLU A 109 -1.178 -3.428 -13.304 1.00 0.00 C ATOM 1656 CG GLU A 109 -2.240 -3.936 -14.264 1.00 0.00 C ATOM 1657 CD GLU A 109 -2.197 -3.233 -15.607 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -1.370 -3.625 -16.457 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -2.991 -2.290 -15.808 1.00 0.00 O ATOM 0 H GLU A 109 -2.893 -2.633 -11.678 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.399 -5.078 -11.944 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.232 -2.340 -13.258 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.194 -3.682 -13.697 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.106 -5.007 -14.414 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.224 -3.798 -13.817 1.00 0.00 H new ATOM 1666 N ALA A 110 0.719 -4.672 -10.747 1.00 0.00 N ATOM 1667 CA ALA A 110 1.939 -4.481 -9.972 1.00 0.00 C ATOM 1668 C ALA A 110 2.650 -3.194 -10.378 1.00 0.00 C ATOM 1669 O ALA A 110 3.039 -3.026 -11.534 1.00 0.00 O ATOM 1670 CB ALA A 110 2.866 -5.675 -10.143 1.00 0.00 C ATOM 0 H ALA A 110 0.532 -5.640 -11.007 1.00 0.00 H new ATOM 0 HA ALA A 110 1.663 -4.398 -8.921 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.773 -5.518 -9.559 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.363 -6.578 -9.798 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.127 -5.785 -11.196 1.00 0.00 H new ATOM 1676 N VAL A 111 2.818 -2.289 -9.419 1.00 0.00 N ATOM 1677 CA VAL A 111 3.483 -1.017 -9.677 1.00 0.00 C ATOM 1678 C VAL A 111 4.957 -1.081 -9.293 1.00 0.00 C ATOM 1679 O VAL A 111 5.302 -1.055 -8.112 1.00 0.00 O ATOM 1680 CB VAL A 111 2.812 0.134 -8.904 1.00 0.00 C ATOM 1681 CG1 VAL A 111 3.553 1.441 -9.143 1.00 0.00 C ATOM 1682 CG2 VAL A 111 1.349 0.260 -9.301 1.00 0.00 C ATOM 0 H VAL A 111 2.503 -2.413 -8.457 1.00 0.00 H new ATOM 0 HA VAL A 111 3.397 -0.825 -10.746 1.00 0.00 H new ATOM 0 HB VAL A 111 2.857 -0.091 -7.839 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.065 2.243 -8.589 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.584 1.342 -8.804 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.542 1.676 -10.207 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.890 1.078 -8.745 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.278 0.463 -10.370 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.829 -0.670 -9.073 1.00 0.00 H new ATOM 1692 N GLN A 112 5.822 -1.164 -10.299 1.00 0.00 N ATOM 1693 CA GLN A 112 7.259 -1.231 -10.067 1.00 0.00 C ATOM 1694 C GLN A 112 7.838 0.160 -9.828 1.00 0.00 C ATOM 1695 O GLN A 112 7.913 0.978 -10.745 1.00 0.00 O ATOM 1696 CB GLN A 112 7.959 -1.890 -11.257 1.00 0.00 C ATOM 1697 CG GLN A 112 9.436 -2.163 -11.019 1.00 0.00 C ATOM 1698 CD GLN A 112 10.172 -2.535 -12.291 1.00 0.00 C ATOM 1699 OE1 GLN A 112 9.562 -2.724 -13.343 1.00 0.00 O ATOM 1700 NE2 GLN A 112 11.493 -2.643 -12.201 1.00 0.00 N ATOM 0 H GLN A 112 5.552 -1.186 -11.282 1.00 0.00 H new ATOM 0 HA GLN A 112 7.429 -1.834 -9.175 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.457 -2.829 -11.489 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.853 -1.248 -12.131 1.00 0.00 H new ATOM 0 HG2 GLN A 112 9.899 -1.279 -10.581 1.00 0.00 H new ATOM 0 HG3 GLN A 112 9.540 -2.970 -10.294 1.00 0.00 H new ATOM 0 HE21 GLN A 112 11.959 -2.478 -11.309 1.00 0.00 H new ATOM 0 HE22 GLN A 112 12.042 -2.891 -13.024 1.00 0.00 H new ATOM 1709 N PHE A 113 8.246 0.421 -8.590 1.00 0.00 N ATOM 1710 CA PHE A 113 8.817 1.713 -8.230 1.00 0.00 C ATOM 1711 C PHE A 113 10.186 1.541 -7.578 1.00 0.00 C ATOM 1712 O PHE A 113 10.311 0.906 -6.531 1.00 0.00 O ATOM 1713 CB PHE A 113 7.879 2.463 -7.282 1.00 0.00 C ATOM 1714 CG PHE A 113 8.569 3.520 -6.468 1.00 0.00 C ATOM 1715 CD1 PHE A 113 9.238 3.187 -5.301 1.00 0.00 C ATOM 1716 CD2 PHE A 113 8.547 4.846 -6.868 1.00 0.00 C ATOM 1717 CE1 PHE A 113 9.875 4.157 -4.550 1.00 0.00 C ATOM 1718 CE2 PHE A 113 9.181 5.820 -6.121 1.00 0.00 C ATOM 1719 CZ PHE A 113 9.845 5.475 -4.960 1.00 0.00 C ATOM 0 H PHE A 113 8.192 -0.245 -7.820 1.00 0.00 H new ATOM 0 HA PHE A 113 8.940 2.294 -9.144 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.082 2.926 -7.864 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.408 1.747 -6.609 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.262 2.158 -4.975 1.00 0.00 H new ATOM 0 HD2 PHE A 113 8.028 5.122 -7.774 1.00 0.00 H new ATOM 0 HE1 PHE A 113 10.395 3.884 -3.644 1.00 0.00 H new ATOM 0 HE2 PHE A 113 9.157 6.850 -6.445 1.00 0.00 H new ATOM 0 HZ PHE A 113 10.340 6.235 -4.374 1.00 0.00 H new ATOM 1729 N ARG A 114 11.209 2.110 -8.206 1.00 0.00 N ATOM 1730 CA ARG A 114 12.570 2.018 -7.689 1.00 0.00 C ATOM 1731 C ARG A 114 12.763 2.952 -6.498 1.00 0.00 C ATOM 1732 O ARG A 114 12.397 4.127 -6.550 1.00 0.00 O ATOM 1733 CB ARG A 114 13.579 2.358 -8.787 1.00 0.00 C ATOM 1734 CG ARG A 114 14.942 1.719 -8.580 1.00 0.00 C ATOM 1735 CD ARG A 114 15.799 1.814 -9.833 1.00 0.00 C ATOM 1736 NE ARG A 114 15.237 1.045 -10.940 1.00 0.00 N ATOM 1737 CZ ARG A 114 15.382 -0.269 -11.071 1.00 0.00 C ATOM 1738 NH1 ARG A 114 16.067 -0.956 -10.167 1.00 0.00 N ATOM 1739 NH2 ARG A 114 14.840 -0.898 -12.106 1.00 0.00 N ATOM 0 H ARG A 114 11.122 2.640 -9.073 1.00 0.00 H new ATOM 0 HA ARG A 114 12.738 0.994 -7.356 1.00 0.00 H new ATOM 0 HB2 ARG A 114 13.179 2.037 -9.749 1.00 0.00 H new ATOM 0 HB3 ARG A 114 13.698 3.440 -8.837 1.00 0.00 H new ATOM 0 HG2 ARG A 114 15.452 2.209 -7.751 1.00 0.00 H new ATOM 0 HG3 ARG A 114 14.816 0.672 -8.303 1.00 0.00 H new ATOM 0 HD2 ARG A 114 15.894 2.859 -10.129 1.00 0.00 H new ATOM 0 HD3 ARG A 114 16.804 1.452 -9.613 1.00 0.00 H new ATOM 0 HE ARG A 114 14.704 1.544 -11.652 1.00 0.00 H new ATOM 0 HH11 ARG A 114 16.484 -0.476 -9.369 1.00 0.00 H new ATOM 0 HH12 ARG A 114 16.177 -1.965 -10.269 1.00 0.00 H new ATOM 0 HH21 ARG A 114 14.311 -0.373 -12.802 1.00 0.00 H new ATOM 0 HH22 ARG A 114 14.952 -1.907 -12.205 1.00 0.00 H new ATOM 1753 N THR A 115 13.339 2.422 -5.424 1.00 0.00 N ATOM 1754 CA THR A 115 13.579 3.206 -4.220 1.00 0.00 C ATOM 1755 C THR A 115 14.730 4.185 -4.422 1.00 0.00 C ATOM 1756 O THR A 115 15.671 3.928 -5.172 1.00 0.00 O ATOM 1757 CB THR A 115 13.896 2.302 -3.014 1.00 0.00 C ATOM 1758 OG1 THR A 115 14.805 1.266 -3.403 1.00 0.00 O ATOM 1759 CG2 THR A 115 12.624 1.683 -2.453 1.00 0.00 C ATOM 0 H THR A 115 13.648 1.452 -5.364 1.00 0.00 H new ATOM 0 HA THR A 115 12.663 3.762 -4.018 1.00 0.00 H new ATOM 0 HB THR A 115 14.356 2.916 -2.239 1.00 0.00 H new ATOM 0 HG1 THR A 115 14.852 0.589 -2.696 1.00 0.00 H new ATOM 0 HG21 THR A 115 12.873 1.049 -1.602 1.00 0.00 H new ATOM 0 HG22 THR A 115 11.946 2.473 -2.131 1.00 0.00 H new ATOM 0 HG23 THR A 115 12.141 1.083 -3.224 1.00 0.00 H new ATOM 1767 N PRO A 116 14.656 5.336 -3.737 1.00 0.00 N ATOM 1768 CA PRO A 116 15.685 6.377 -3.824 1.00 0.00 C ATOM 1769 C PRO A 116 16.994 5.955 -3.165 1.00 0.00 C ATOM 1770 O PRO A 116 17.216 4.773 -2.902 1.00 0.00 O ATOM 1771 CB PRO A 116 15.062 7.555 -3.070 1.00 0.00 C ATOM 1772 CG PRO A 116 14.094 6.931 -2.126 1.00 0.00 C ATOM 1773 CD PRO A 116 13.563 5.710 -2.824 1.00 0.00 C ATOM 0 HA PRO A 116 15.948 6.605 -4.857 1.00 0.00 H new ATOM 0 HB2 PRO A 116 15.820 8.130 -2.537 1.00 0.00 H new ATOM 0 HB3 PRO A 116 14.562 8.242 -3.753 1.00 0.00 H new ATOM 0 HG2 PRO A 116 14.581 6.664 -1.188 1.00 0.00 H new ATOM 0 HG3 PRO A 116 13.287 7.622 -1.881 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.337 4.910 -2.119 1.00 0.00 H new ATOM 0 HD3 PRO A 116 12.642 5.926 -3.366 1.00 0.00 H new ATOM 1781 N LYS A 117 17.858 6.929 -2.900 1.00 0.00 N ATOM 1782 CA LYS A 117 19.145 6.659 -2.270 1.00 0.00 C ATOM 1783 C LYS A 117 19.490 7.742 -1.253 1.00 0.00 C ATOM 1784 O LYS A 117 18.976 8.858 -1.322 1.00 0.00 O ATOM 1785 CB LYS A 117 20.246 6.571 -3.329 1.00 0.00 C ATOM 1786 CG LYS A 117 20.133 5.348 -4.223 1.00 0.00 C ATOM 1787 CD LYS A 117 21.015 4.213 -3.730 1.00 0.00 C ATOM 1788 CE LYS A 117 20.482 3.615 -2.437 1.00 0.00 C ATOM 1789 NZ LYS A 117 21.271 2.427 -2.009 1.00 0.00 N ATOM 0 H LYS A 117 17.690 7.913 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 117 19.073 5.704 -1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 117 20.216 7.468 -3.948 1.00 0.00 H new ATOM 0 HB3 LYS A 117 21.216 6.559 -2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 117 19.096 5.015 -4.257 1.00 0.00 H new ATOM 0 HG3 LYS A 117 20.416 5.614 -5.242 1.00 0.00 H new ATOM 0 HD2 LYS A 117 21.073 3.438 -4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 117 22.029 4.581 -3.571 1.00 0.00 H new ATOM 0 HE2 LYS A 117 20.506 4.370 -1.651 1.00 0.00 H new ATOM 0 HE3 LYS A 117 19.439 3.329 -2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 20.624 1.649 -1.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 21.897 2.128 -2.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 21.844 2.672 -1.176 1.00 0.00 H new ATOM 1803 N ALA A 118 20.364 7.405 -0.310 1.00 0.00 N ATOM 1804 CA ALA A 118 20.780 8.350 0.719 1.00 0.00 C ATOM 1805 C ALA A 118 21.806 9.338 0.175 1.00 0.00 C ATOM 1806 O ALA A 118 22.977 9.303 0.553 1.00 0.00 O ATOM 1807 CB ALA A 118 21.346 7.607 1.920 1.00 0.00 C ATOM 0 H ALA A 118 20.798 6.485 -0.238 1.00 0.00 H new ATOM 0 HA ALA A 118 19.903 8.914 1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 118 21.653 8.325 2.681 1.00 0.00 H new ATOM 0 HB2 ALA A 118 20.583 6.946 2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 118 22.208 7.017 1.610 1.00 0.00 H new