USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 751 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 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 69 ASN : amide:sc= -0.467 K(o=-0.47,f=-2.3!) USER MOD Set 2.1: A 24 TYR OH : rot 180:sc= -0.149 USER MOD Set 2.2: A 64 ASN : amide:sc= -11.5! C(o=-12!,f=-8.8!) USER MOD Set 3.1: A 11 MET CE :methyl 149:sc= -0.107 (180deg=-0.0114) USER MOD Set 3.2: A 121 HIS : no HD1:sc= -2.62! C(o=-2.7!,f=-2.3!) USER MOD Single : A 13 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.068) USER MOD Single : A 20 GLN : amide:sc= -0.218 K(o=-0.22,f=-0.79) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.703 K(o=-0.7,f=-2.9!) USER MOD Single : A 43 CYS SG : rot 180:sc= -1.88! USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0846 X(o=-0.085,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0821 K(o=-0.082,f=-0.63) USER MOD Single : A 58 SER OG : rot 99:sc= -1.15 USER MOD Single : A 60 ASN : amide:sc= -3.12! C(o=-3.1!,f=-3.9!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 MET CE :methyl 150:sc= -0.054 (180deg=-0.103) USER MOD Single : A 122 GLN : amide:sc= -0.831 K(o=-0.83,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 172 N MET A 11 -4.827 3.880 8.427 1.00 0.00 N ATOM 173 CA MET A 11 -3.625 3.243 7.917 1.00 0.00 C ATOM 174 C MET A 11 -3.395 1.888 8.590 1.00 0.00 C ATOM 175 O MET A 11 -3.169 0.886 7.914 1.00 0.00 O ATOM 176 CB MET A 11 -2.420 4.151 8.170 1.00 0.00 C ATOM 177 CG MET A 11 -2.195 4.359 9.669 1.00 0.00 C ATOM 178 SD MET A 11 -1.050 5.701 9.934 1.00 0.00 S ATOM 179 CE MET A 11 -0.502 5.320 11.590 1.00 0.00 C ATOM 0 HA MET A 11 -3.749 3.079 6.847 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.529 3.711 7.722 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.578 5.114 7.685 1.00 0.00 H new ATOM 0 HG2 MET A 11 -3.143 4.577 10.161 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.806 3.445 10.117 1.00 0.00 H new ATOM 0 HE1 MET A 11 0.528 5.653 11.718 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.141 5.830 12.311 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.558 4.244 11.753 1.00 0.00 H new ATOM 189 N ARG A 12 -3.461 1.902 9.913 1.00 0.00 N ATOM 190 CA ARG A 12 -3.262 0.687 10.685 1.00 0.00 C ATOM 191 C ARG A 12 -4.021 -0.477 10.046 1.00 0.00 C ATOM 192 O ARG A 12 -3.493 -1.584 9.941 1.00 0.00 O ATOM 193 CB ARG A 12 -3.739 0.867 12.128 1.00 0.00 C ATOM 194 CG ARG A 12 -2.783 1.768 12.912 1.00 0.00 C ATOM 195 CD ARG A 12 -1.963 0.955 13.916 1.00 0.00 C ATOM 196 NE ARG A 12 -2.856 0.084 14.712 1.00 0.00 N ATOM 197 CZ ARG A 12 -2.425 -0.858 15.562 1.00 0.00 C ATOM 198 NH1 ARG A 12 -1.111 -1.056 15.732 1.00 0.00 N ATOM 199 NH2 ARG A 12 -3.309 -1.602 16.242 1.00 0.00 N ATOM 0 H ARG A 12 -3.649 2.735 10.470 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.194 0.469 10.692 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.739 1.300 12.133 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.810 -0.105 12.615 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.114 2.282 12.222 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.350 2.536 13.438 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.225 0.349 13.390 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.413 1.625 14.576 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.863 0.208 14.607 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.439 -0.490 15.214 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.783 -1.773 16.379 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.309 -1.451 16.112 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.981 -2.319 16.889 1.00 0.00 H new ATOM 213 N GLN A 13 -5.247 -0.189 9.636 1.00 0.00 N ATOM 214 CA GLN A 13 -6.084 -1.199 9.010 1.00 0.00 C ATOM 215 C GLN A 13 -5.429 -1.708 7.724 1.00 0.00 C ATOM 216 O GLN A 13 -5.435 -2.908 7.454 1.00 0.00 O ATOM 217 CB GLN A 13 -7.486 -0.654 8.732 1.00 0.00 C ATOM 218 CG GLN A 13 -8.500 -1.214 9.732 1.00 0.00 C ATOM 219 CD GLN A 13 -8.831 -2.674 9.417 1.00 0.00 C ATOM 220 OE1 GLN A 13 -9.567 -2.987 8.496 1.00 0.00 O ATOM 221 NE2 GLN A 13 -8.247 -3.549 10.232 1.00 0.00 N ATOM 0 H GLN A 13 -5.681 0.730 9.725 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.186 -2.037 9.700 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.475 0.434 8.790 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.787 -0.916 7.718 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.099 -1.138 10.743 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.411 -0.617 9.705 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.642 -3.220 10.984 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.405 -4.549 10.105 1.00 0.00 H new ATOM 230 N LEU A 14 -4.881 -0.770 6.965 1.00 0.00 N ATOM 231 CA LEU A 14 -4.224 -1.109 5.714 1.00 0.00 C ATOM 232 C LEU A 14 -3.058 -2.058 5.997 1.00 0.00 C ATOM 233 O LEU A 14 -3.069 -3.208 5.562 1.00 0.00 O ATOM 234 CB LEU A 14 -3.817 0.159 4.962 1.00 0.00 C ATOM 235 CG LEU A 14 -4.964 1.038 4.459 1.00 0.00 C ATOM 236 CD1 LEU A 14 -4.441 2.164 3.566 1.00 0.00 C ATOM 237 CD2 LEU A 14 -6.032 0.197 3.756 1.00 0.00 C ATOM 0 H LEU A 14 -4.879 0.224 7.192 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.912 -1.636 5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.186 0.759 5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.205 -0.130 4.107 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.439 1.506 5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.277 2.774 3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.747 2.785 4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.926 1.737 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.836 0.846 3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.587 -0.318 2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.435 -0.537 4.454 1.00 0.00 H new ATOM 249 N ILE A 15 -2.078 -1.540 6.723 1.00 0.00 N ATOM 250 CA ILE A 15 -0.906 -2.326 7.069 1.00 0.00 C ATOM 251 C ILE A 15 -1.346 -3.726 7.503 1.00 0.00 C ATOM 252 O ILE A 15 -0.815 -4.725 7.021 1.00 0.00 O ATOM 253 CB ILE A 15 -0.060 -1.596 8.114 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.626 -0.371 7.506 1.00 0.00 C ATOM 255 CG2 ILE A 15 0.942 -2.548 8.771 1.00 0.00 C ATOM 256 CD1 ILE A 15 -0.105 0.916 7.893 1.00 0.00 C ATOM 0 H ILE A 15 -2.072 -0.585 7.081 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.260 -2.449 6.200 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.724 -1.236 8.900 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.660 -0.322 7.847 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.652 -0.466 6.420 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.531 -2.004 9.510 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.405 -3.360 9.262 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.605 -2.960 8.010 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.403 1.771 7.448 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.132 0.875 7.529 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.108 1.020 8.978 1.00 0.00 H new ATOM 268 N ASP A 16 -2.313 -3.753 8.408 1.00 0.00 N ATOM 269 CA ASP A 16 -2.831 -5.013 8.913 1.00 0.00 C ATOM 270 C ASP A 16 -3.461 -5.798 7.761 1.00 0.00 C ATOM 271 O ASP A 16 -3.090 -6.944 7.509 1.00 0.00 O ATOM 272 CB ASP A 16 -3.910 -4.781 9.973 1.00 0.00 C ATOM 273 CG ASP A 16 -3.738 -5.592 11.259 1.00 0.00 C ATOM 274 OD1 ASP A 16 -2.662 -6.214 11.398 1.00 0.00 O ATOM 275 OD2 ASP A 16 -4.686 -5.572 12.073 1.00 0.00 O ATOM 0 H ASP A 16 -2.752 -2.922 8.805 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.002 -5.564 9.358 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.925 -3.722 10.229 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.881 -5.018 9.539 1.00 0.00 H new ATOM 280 N ILE A 17 -4.404 -5.151 7.092 1.00 0.00 N ATOM 281 CA ILE A 17 -5.090 -5.774 5.972 1.00 0.00 C ATOM 282 C ILE A 17 -4.072 -6.524 5.111 1.00 0.00 C ATOM 283 O ILE A 17 -4.328 -7.647 4.678 1.00 0.00 O ATOM 284 CB ILE A 17 -5.905 -4.736 5.198 1.00 0.00 C ATOM 285 CG1 ILE A 17 -7.368 -4.742 5.647 1.00 0.00 C ATOM 286 CG2 ILE A 17 -5.767 -4.945 3.689 1.00 0.00 C ATOM 287 CD1 ILE A 17 -8.098 -3.492 5.151 1.00 0.00 C ATOM 0 H ILE A 17 -4.709 -4.201 7.304 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.811 -6.510 6.328 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.503 -3.748 5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.866 -5.634 5.266 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.418 -4.789 6.735 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.356 -4.194 3.162 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.719 -4.851 3.403 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.127 -5.939 3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.136 -3.521 5.483 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.612 -2.603 5.554 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.067 -3.460 4.062 1.00 0.00 H new ATOM 299 N VAL A 18 -2.940 -5.874 4.887 1.00 0.00 N ATOM 300 CA VAL A 18 -1.883 -6.465 4.085 1.00 0.00 C ATOM 301 C VAL A 18 -1.373 -7.732 4.775 1.00 0.00 C ATOM 302 O VAL A 18 -1.473 -8.827 4.223 1.00 0.00 O ATOM 303 CB VAL A 18 -0.779 -5.436 3.832 1.00 0.00 C ATOM 304 CG1 VAL A 18 0.172 -5.911 2.732 1.00 0.00 C ATOM 305 CG2 VAL A 18 -1.373 -4.068 3.491 1.00 0.00 C ATOM 0 H VAL A 18 -2.732 -4.943 5.247 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.265 -6.758 3.107 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.202 -5.331 4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.947 -5.161 2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.634 -6.852 3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.386 -6.059 1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.567 -3.355 3.316 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.986 -4.151 2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.990 -3.722 4.321 1.00 0.00 H new ATOM 315 N ASP A 19 -0.837 -7.540 5.971 1.00 0.00 N ATOM 316 CA ASP A 19 -0.311 -8.654 6.743 1.00 0.00 C ATOM 317 C ASP A 19 -1.336 -9.790 6.755 1.00 0.00 C ATOM 318 O ASP A 19 -0.972 -10.957 6.885 1.00 0.00 O ATOM 319 CB ASP A 19 -0.044 -8.243 8.192 1.00 0.00 C ATOM 320 CG ASP A 19 0.418 -9.375 9.111 1.00 0.00 C ATOM 321 OD1 ASP A 19 1.123 -10.271 8.597 1.00 0.00 O ATOM 322 OD2 ASP A 19 0.057 -9.320 10.306 1.00 0.00 O ATOM 0 H ASP A 19 -0.755 -6.630 6.425 1.00 0.00 H new ATOM 0 HA ASP A 19 0.623 -8.973 6.281 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.713 -7.459 8.198 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.955 -7.809 8.604 1.00 0.00 H new ATOM 327 N GLN A 20 -2.597 -9.407 6.618 1.00 0.00 N ATOM 328 CA GLN A 20 -3.678 -10.379 6.612 1.00 0.00 C ATOM 329 C GLN A 20 -3.682 -11.158 5.296 1.00 0.00 C ATOM 330 O GLN A 20 -3.768 -12.386 5.297 1.00 0.00 O ATOM 331 CB GLN A 20 -5.027 -9.699 6.852 1.00 0.00 C ATOM 332 CG GLN A 20 -6.085 -10.718 7.283 1.00 0.00 C ATOM 333 CD GLN A 20 -5.876 -11.142 8.739 1.00 0.00 C ATOM 334 OE1 GLN A 20 -5.095 -12.027 9.048 1.00 0.00 O ATOM 335 NE2 GLN A 20 -6.614 -10.462 9.612 1.00 0.00 N ATOM 0 H GLN A 20 -2.895 -8.437 6.510 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.514 -11.083 7.428 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.921 -8.933 7.620 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.352 -9.195 5.942 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.079 -10.287 7.165 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.038 -11.593 6.635 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.248 -9.733 9.285 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.546 -10.669 10.608 1.00 0.00 H new ATOM 344 N LEU A 21 -3.589 -10.414 4.204 1.00 0.00 N ATOM 345 CA LEU A 21 -3.582 -11.021 2.883 1.00 0.00 C ATOM 346 C LEU A 21 -2.241 -11.721 2.656 1.00 0.00 C ATOM 347 O LEU A 21 -2.186 -12.776 2.026 1.00 0.00 O ATOM 348 CB LEU A 21 -3.921 -9.980 1.814 1.00 0.00 C ATOM 349 CG LEU A 21 -2.732 -9.381 1.060 1.00 0.00 C ATOM 350 CD1 LEU A 21 -2.594 -10.004 -0.331 1.00 0.00 C ATOM 351 CD2 LEU A 21 -2.836 -7.856 0.996 1.00 0.00 C ATOM 0 H LEU A 21 -3.518 -9.396 4.206 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.357 -11.784 2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.592 -10.439 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.472 -9.168 2.288 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.823 -9.620 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.741 -9.560 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.441 -11.079 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.501 -9.817 -0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.979 -7.455 0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.754 -7.575 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.849 -7.449 2.007 1.00 0.00 H new ATOM 363 N LYS A 22 -1.191 -11.106 3.181 1.00 0.00 N ATOM 364 CA LYS A 22 0.146 -11.657 3.043 1.00 0.00 C ATOM 365 C LYS A 22 0.223 -12.989 3.791 1.00 0.00 C ATOM 366 O LYS A 22 0.960 -13.889 3.390 1.00 0.00 O ATOM 367 CB LYS A 22 1.195 -10.637 3.493 1.00 0.00 C ATOM 368 CG LYS A 22 2.168 -10.315 2.357 1.00 0.00 C ATOM 369 CD LYS A 22 3.522 -9.863 2.908 1.00 0.00 C ATOM 370 CE LYS A 22 3.352 -8.716 3.907 1.00 0.00 C ATOM 371 NZ LYS A 22 4.037 -9.033 5.180 1.00 0.00 N ATOM 0 H LYS A 22 -1.240 -10.231 3.703 1.00 0.00 H new ATOM 0 HA LYS A 22 0.366 -11.865 1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.701 -9.723 3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.745 -11.029 4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.303 -11.195 1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.749 -9.532 1.725 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.020 -10.702 3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.164 -9.543 2.087 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.759 -7.796 3.487 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.292 -8.540 4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.912 -8.245 5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.630 -9.899 5.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.051 -9.178 5.002 1.00 0.00 H new ATOM 385 N ASN A 23 -0.548 -13.074 4.865 1.00 0.00 N ATOM 386 CA ASN A 23 -0.576 -14.281 5.673 1.00 0.00 C ATOM 387 C ASN A 23 -1.061 -15.452 4.816 1.00 0.00 C ATOM 388 O ASN A 23 -0.877 -16.612 5.182 1.00 0.00 O ATOM 389 CB ASN A 23 -1.536 -14.131 6.855 1.00 0.00 C ATOM 390 CG ASN A 23 -0.908 -14.665 8.143 1.00 0.00 C ATOM 391 OD1 ASN A 23 -0.201 -13.970 8.854 1.00 0.00 O ATOM 392 ND2 ASN A 23 -1.204 -15.935 8.404 1.00 0.00 N ATOM 0 H ASN A 23 -1.158 -12.326 5.195 1.00 0.00 H new ATOM 0 HA ASN A 23 0.432 -14.459 6.048 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.800 -13.081 6.983 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.461 -14.669 6.647 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.833 -16.383 9.242 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.802 -16.461 7.767 1.00 0.00 H new ATOM 399 N TYR A 24 -1.670 -15.108 3.691 1.00 0.00 N ATOM 400 CA TYR A 24 -2.182 -16.116 2.778 1.00 0.00 C ATOM 401 C TYR A 24 -1.499 -16.017 1.412 1.00 0.00 C ATOM 402 O TYR A 24 -2.126 -16.259 0.382 1.00 0.00 O ATOM 403 CB TYR A 24 -3.673 -15.816 2.613 1.00 0.00 C ATOM 404 CG TYR A 24 -4.563 -16.490 3.659 1.00 0.00 C ATOM 405 CD1 TYR A 24 -4.376 -17.821 3.970 1.00 0.00 C ATOM 406 CD2 TYR A 24 -5.553 -15.766 4.291 1.00 0.00 C ATOM 407 CE1 TYR A 24 -5.213 -18.455 4.955 1.00 0.00 C ATOM 408 CE2 TYR A 24 -6.391 -16.400 5.276 1.00 0.00 C ATOM 409 CZ TYR A 24 -6.180 -17.713 5.560 1.00 0.00 C ATOM 410 OH TYR A 24 -6.971 -18.312 6.490 1.00 0.00 O ATOM 0 H TYR A 24 -1.821 -14.145 3.391 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.997 -17.117 3.168 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.824 -14.738 2.663 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.990 -16.136 1.621 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.602 -18.388 3.474 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.700 -14.724 4.047 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.076 -19.496 5.208 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.170 -15.845 5.778 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.616 -17.662 6.838 1.00 0.00 H new ATOM 420 N VAL A 25 -0.224 -15.661 1.449 1.00 0.00 N ATOM 421 CA VAL A 25 0.551 -15.527 0.227 1.00 0.00 C ATOM 422 C VAL A 25 0.376 -16.787 -0.624 1.00 0.00 C ATOM 423 O VAL A 25 0.367 -16.715 -1.852 1.00 0.00 O ATOM 424 CB VAL A 25 2.014 -15.231 0.564 1.00 0.00 C ATOM 425 CG1 VAL A 25 2.784 -16.524 0.841 1.00 0.00 C ATOM 426 CG2 VAL A 25 2.681 -14.423 -0.551 1.00 0.00 C ATOM 0 H VAL A 25 0.292 -15.461 2.306 1.00 0.00 H new ATOM 0 HA VAL A 25 0.191 -14.684 -0.363 1.00 0.00 H new ATOM 0 HB VAL A 25 2.034 -14.628 1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.821 -16.286 1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.329 -17.045 1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.751 -17.163 -0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.720 -14.226 -0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.645 -14.989 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.154 -13.478 -0.680 1.00 0.00 H new ATOM 436 N ASN A 26 0.242 -17.911 0.063 1.00 0.00 N ATOM 437 CA ASN A 26 0.068 -19.185 -0.613 1.00 0.00 C ATOM 438 C ASN A 26 -1.167 -19.116 -1.513 1.00 0.00 C ATOM 439 O ASN A 26 -1.328 -19.934 -2.417 1.00 0.00 O ATOM 440 CB ASN A 26 -0.143 -20.319 0.392 1.00 0.00 C ATOM 441 CG ASN A 26 0.394 -21.644 -0.154 1.00 0.00 C ATOM 442 OD1 ASN A 26 1.526 -22.030 0.085 1.00 0.00 O ATOM 443 ND2 ASN A 26 -0.480 -22.315 -0.899 1.00 0.00 N ATOM 0 H ASN A 26 0.250 -17.966 1.081 1.00 0.00 H new ATOM 0 HA ASN A 26 0.968 -19.382 -1.195 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.359 -20.077 1.329 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.205 -20.418 0.616 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.218 -23.211 -1.310 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.412 -21.934 -1.059 1.00 0.00 H new ATOM 450 N ASP A 27 -2.008 -18.130 -1.235 1.00 0.00 N ATOM 451 CA ASP A 27 -3.224 -17.943 -2.007 1.00 0.00 C ATOM 452 C ASP A 27 -3.093 -16.677 -2.857 1.00 0.00 C ATOM 453 O ASP A 27 -4.066 -15.948 -3.045 1.00 0.00 O ATOM 454 CB ASP A 27 -4.438 -17.774 -1.092 1.00 0.00 C ATOM 455 CG ASP A 27 -4.709 -18.952 -0.154 1.00 0.00 C ATOM 456 OD1 ASP A 27 -4.453 -20.096 -0.590 1.00 0.00 O ATOM 457 OD2 ASP A 27 -5.167 -18.683 0.977 1.00 0.00 O ATOM 0 H ASP A 27 -1.871 -17.452 -0.485 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.365 -18.824 -2.633 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.299 -16.875 -0.491 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.321 -17.611 -1.711 1.00 0.00 H new ATOM 462 N LEU A 28 -1.883 -16.455 -3.348 1.00 0.00 N ATOM 463 CA LEU A 28 -1.612 -15.290 -4.173 1.00 0.00 C ATOM 464 C LEU A 28 -1.067 -15.746 -5.528 1.00 0.00 C ATOM 465 O LEU A 28 -0.178 -16.594 -5.590 1.00 0.00 O ATOM 466 CB LEU A 28 -0.692 -14.314 -3.437 1.00 0.00 C ATOM 467 CG LEU A 28 -1.304 -13.593 -2.234 1.00 0.00 C ATOM 468 CD1 LEU A 28 -0.349 -12.530 -1.688 1.00 0.00 C ATOM 469 CD2 LEU A 28 -2.674 -13.007 -2.585 1.00 0.00 C ATOM 0 H LEU A 28 -1.079 -17.062 -3.190 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.532 -14.739 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.188 -14.860 -3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.347 -13.564 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.460 -14.324 -1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.808 -12.033 -0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.582 -13.003 -1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.139 -11.796 -2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.087 -12.500 -1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.566 -12.294 -3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.346 -13.809 -2.890 1.00 0.00 H new ATOM 481 N VAL A 29 -1.622 -15.162 -6.580 1.00 0.00 N ATOM 482 CA VAL A 29 -1.202 -15.497 -7.930 1.00 0.00 C ATOM 483 C VAL A 29 -0.143 -14.495 -8.394 1.00 0.00 C ATOM 484 O VAL A 29 -0.334 -13.286 -8.275 1.00 0.00 O ATOM 485 CB VAL A 29 -2.418 -15.555 -8.857 1.00 0.00 C ATOM 486 CG1 VAL A 29 -2.675 -14.195 -9.509 1.00 0.00 C ATOM 487 CG2 VAL A 29 -2.250 -16.647 -9.915 1.00 0.00 C ATOM 0 H VAL A 29 -2.359 -14.459 -6.525 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.745 -16.486 -7.953 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.289 -15.807 -8.252 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.544 -14.263 -10.163 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.861 -13.450 -8.735 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.803 -13.901 -10.094 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.128 -16.667 -10.560 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.364 -16.439 -10.515 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.138 -17.614 -9.425 1.00 0.00 H new ATOM 497 N PRO A 30 0.978 -15.049 -8.928 1.00 0.00 N ATOM 498 CA PRO A 30 2.067 -14.217 -9.411 1.00 0.00 C ATOM 499 C PRO A 30 1.709 -13.568 -10.749 1.00 0.00 C ATOM 500 O PRO A 30 1.628 -14.248 -11.771 1.00 0.00 O ATOM 501 CB PRO A 30 3.263 -15.150 -9.504 1.00 0.00 C ATOM 502 CG PRO A 30 2.693 -16.559 -9.518 1.00 0.00 C ATOM 503 CD PRO A 30 1.238 -16.477 -9.085 1.00 0.00 C ATOM 0 HA PRO A 30 2.283 -13.379 -8.748 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.842 -14.954 -10.407 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.935 -15.009 -8.657 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.771 -16.992 -10.515 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.256 -17.205 -8.845 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.577 -16.920 -9.830 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.072 -17.015 -8.152 1.00 0.00 H new ATOM 511 N GLU A 31 1.504 -12.260 -10.700 1.00 0.00 N ATOM 512 CA GLU A 31 1.157 -11.511 -11.896 1.00 0.00 C ATOM 513 C GLU A 31 1.987 -10.229 -11.979 1.00 0.00 C ATOM 514 O GLU A 31 2.558 -9.789 -10.982 1.00 0.00 O ATOM 515 CB GLU A 31 -0.340 -11.198 -11.931 1.00 0.00 C ATOM 516 CG GLU A 31 -0.833 -11.038 -13.371 1.00 0.00 C ATOM 517 CD GLU A 31 -1.141 -9.573 -13.685 1.00 0.00 C ATOM 518 OE1 GLU A 31 -0.198 -8.874 -14.116 1.00 0.00 O ATOM 519 OE2 GLU A 31 -2.313 -9.184 -13.488 1.00 0.00 O ATOM 0 H GLU A 31 1.572 -11.699 -9.851 1.00 0.00 H new ATOM 0 HA GLU A 31 1.387 -12.126 -12.766 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.894 -11.998 -11.440 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.537 -10.284 -11.372 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.077 -11.410 -14.062 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.728 -11.642 -13.522 1.00 0.00 H new ATOM 526 N PHE A 32 2.028 -9.665 -13.178 1.00 0.00 N ATOM 527 CA PHE A 32 2.779 -8.442 -13.404 1.00 0.00 C ATOM 528 C PHE A 32 2.170 -7.273 -12.628 1.00 0.00 C ATOM 529 O PHE A 32 1.258 -6.607 -13.116 1.00 0.00 O ATOM 530 CB PHE A 32 2.701 -8.140 -14.902 1.00 0.00 C ATOM 531 CG PHE A 32 3.283 -9.242 -15.790 1.00 0.00 C ATOM 532 CD1 PHE A 32 4.608 -9.240 -16.096 1.00 0.00 C ATOM 533 CD2 PHE A 32 2.474 -10.223 -16.273 1.00 0.00 C ATOM 534 CE1 PHE A 32 5.147 -10.263 -16.920 1.00 0.00 C ATOM 535 CE2 PHE A 32 3.014 -11.246 -17.097 1.00 0.00 C ATOM 536 CZ PHE A 32 4.339 -11.244 -17.403 1.00 0.00 C ATOM 0 H PHE A 32 1.553 -10.033 -14.003 1.00 0.00 H new ATOM 0 HA PHE A 32 3.808 -8.570 -13.067 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.658 -7.979 -15.176 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.230 -7.208 -15.102 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.250 -8.461 -15.712 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.422 -10.224 -16.030 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.199 -10.262 -17.163 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.372 -12.025 -17.481 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.750 -12.022 -18.030 1.00 0.00 H new ATOM 546 N LEU A 33 2.698 -7.059 -11.432 1.00 0.00 N ATOM 547 CA LEU A 33 2.217 -5.982 -10.583 1.00 0.00 C ATOM 548 C LEU A 33 3.316 -4.926 -10.435 1.00 0.00 C ATOM 549 O LEU A 33 4.469 -5.259 -10.168 1.00 0.00 O ATOM 550 CB LEU A 33 1.712 -6.535 -9.249 1.00 0.00 C ATOM 551 CG LEU A 33 0.210 -6.398 -8.992 1.00 0.00 C ATOM 552 CD1 LEU A 33 -0.589 -6.628 -10.276 1.00 0.00 C ATOM 553 CD2 LEU A 33 -0.240 -7.327 -7.863 1.00 0.00 C ATOM 0 H LEU A 33 3.454 -7.613 -11.030 1.00 0.00 H new ATOM 0 HA LEU A 33 1.360 -5.489 -11.042 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.975 -7.591 -9.193 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.246 -6.030 -8.444 1.00 0.00 H new ATOM 0 HG LEU A 33 0.011 -5.377 -8.667 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.654 -6.525 -10.066 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.294 -5.893 -11.025 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.389 -7.631 -10.654 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.311 -7.210 -7.701 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.025 -8.360 -8.135 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.295 -7.074 -6.948 1.00 0.00 H new ATOM 565 N PRO A 34 2.907 -3.642 -10.619 1.00 0.00 N ATOM 566 CA PRO A 34 3.843 -2.536 -10.508 1.00 0.00 C ATOM 567 C PRO A 34 4.187 -2.254 -9.045 1.00 0.00 C ATOM 568 O PRO A 34 3.295 -2.097 -8.212 1.00 0.00 O ATOM 569 CB PRO A 34 3.154 -1.368 -11.193 1.00 0.00 C ATOM 570 CG PRO A 34 1.678 -1.729 -11.250 1.00 0.00 C ATOM 571 CD PRO A 34 1.549 -3.211 -10.936 1.00 0.00 C ATOM 0 HA PRO A 34 4.802 -2.747 -10.980 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.309 -0.443 -10.637 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.556 -1.210 -12.194 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.112 -1.136 -10.532 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.269 -1.511 -12.237 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.874 -3.381 -10.097 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.147 -3.762 -11.786 1.00 0.00 H new ATOM 579 N ALA A 35 5.483 -2.196 -8.775 1.00 0.00 N ATOM 580 CA ALA A 35 5.956 -1.935 -7.426 1.00 0.00 C ATOM 581 C ALA A 35 7.067 -0.884 -7.475 1.00 0.00 C ATOM 582 O ALA A 35 8.123 -1.118 -8.062 1.00 0.00 O ATOM 583 CB ALA A 35 6.420 -3.244 -6.785 1.00 0.00 C ATOM 0 H ALA A 35 6.220 -2.325 -9.468 1.00 0.00 H new ATOM 0 HA ALA A 35 5.152 -1.537 -6.808 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.775 -3.048 -5.773 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.587 -3.946 -6.748 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.229 -3.672 -7.377 1.00 0.00 H new ATOM 589 N PRO A 36 6.784 0.281 -6.834 1.00 0.00 N ATOM 590 CA PRO A 36 7.747 1.369 -6.798 1.00 0.00 C ATOM 591 C PRO A 36 8.882 1.065 -5.818 1.00 0.00 C ATOM 592 O PRO A 36 8.635 0.761 -4.652 1.00 0.00 O ATOM 593 CB PRO A 36 6.939 2.597 -6.410 1.00 0.00 C ATOM 594 CG PRO A 36 5.654 2.072 -5.791 1.00 0.00 C ATOM 595 CD PRO A 36 5.545 0.594 -6.128 1.00 0.00 C ATOM 0 HA PRO A 36 8.244 1.522 -7.756 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.488 3.218 -5.702 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.728 3.217 -7.281 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.663 2.218 -4.711 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.793 2.617 -6.179 1.00 0.00 H new ATOM 0 HD2 PRO A 36 5.439 -0.011 -5.227 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.673 0.393 -6.751 1.00 0.00 H new ATOM 603 N GLU A 37 10.101 1.158 -6.327 1.00 0.00 N ATOM 604 CA GLU A 37 11.275 0.896 -5.511 1.00 0.00 C ATOM 605 C GLU A 37 11.886 2.211 -5.023 1.00 0.00 C ATOM 606 O GLU A 37 12.392 2.999 -5.821 1.00 0.00 O ATOM 607 CB GLU A 37 12.304 0.066 -6.280 1.00 0.00 C ATOM 608 CG GLU A 37 13.306 -0.587 -5.326 1.00 0.00 C ATOM 609 CD GLU A 37 14.741 -0.397 -5.824 1.00 0.00 C ATOM 610 OE1 GLU A 37 15.197 0.767 -5.808 1.00 0.00 O ATOM 611 OE2 GLU A 37 15.348 -1.420 -6.208 1.00 0.00 O ATOM 0 H GLU A 37 10.302 1.411 -7.294 1.00 0.00 H new ATOM 0 HA GLU A 37 10.966 0.316 -4.641 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.795 -0.703 -6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.833 0.703 -6.989 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.202 -0.154 -4.331 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.087 -1.651 -5.235 1.00 0.00 H new ATOM 618 N ASP A 38 11.818 2.409 -3.715 1.00 0.00 N ATOM 619 CA ASP A 38 12.359 3.615 -3.111 1.00 0.00 C ATOM 620 C ASP A 38 11.736 4.840 -3.784 1.00 0.00 C ATOM 621 O ASP A 38 12.088 5.179 -4.913 1.00 0.00 O ATOM 622 CB ASP A 38 13.875 3.693 -3.298 1.00 0.00 C ATOM 623 CG ASP A 38 14.678 3.866 -2.007 1.00 0.00 C ATOM 624 OD1 ASP A 38 14.379 4.838 -1.279 1.00 0.00 O ATOM 625 OD2 ASP A 38 15.571 3.023 -1.777 1.00 0.00 O ATOM 0 H ASP A 38 11.396 1.754 -3.056 1.00 0.00 H new ATOM 0 HA ASP A 38 12.128 3.591 -2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.211 2.785 -3.798 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.101 4.526 -3.963 1.00 0.00 H new ATOM 630 N VAL A 39 10.821 5.471 -3.063 1.00 0.00 N ATOM 631 CA VAL A 39 10.146 6.651 -3.576 1.00 0.00 C ATOM 632 C VAL A 39 10.587 7.876 -2.772 1.00 0.00 C ATOM 633 O VAL A 39 10.938 7.759 -1.599 1.00 0.00 O ATOM 634 CB VAL A 39 8.631 6.437 -3.557 1.00 0.00 C ATOM 635 CG1 VAL A 39 8.107 6.097 -4.953 1.00 0.00 C ATOM 636 CG2 VAL A 39 8.243 5.355 -2.547 1.00 0.00 C ATOM 0 H VAL A 39 10.531 5.187 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 39 10.423 6.828 -4.615 1.00 0.00 H new ATOM 0 HB VAL A 39 8.165 7.371 -3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.028 5.950 -4.911 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.335 6.915 -5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.584 5.183 -5.308 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.161 5.223 -2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.725 4.415 -2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.566 5.655 -1.550 1.00 0.00 H new ATOM 646 N GLU A 40 10.555 9.022 -3.436 1.00 0.00 N ATOM 647 CA GLU A 40 10.947 10.267 -2.798 1.00 0.00 C ATOM 648 C GLU A 40 10.120 10.498 -1.532 1.00 0.00 C ATOM 649 O GLU A 40 9.097 9.847 -1.327 1.00 0.00 O ATOM 650 CB GLU A 40 10.810 11.445 -3.765 1.00 0.00 C ATOM 651 CG GLU A 40 11.297 12.744 -3.119 1.00 0.00 C ATOM 652 CD GLU A 40 11.553 13.820 -4.176 1.00 0.00 C ATOM 653 OE1 GLU A 40 10.553 14.417 -4.631 1.00 0.00 O ATOM 654 OE2 GLU A 40 12.741 14.022 -4.505 1.00 0.00 O ATOM 0 H GLU A 40 10.264 9.114 -4.409 1.00 0.00 H new ATOM 0 HA GLU A 40 11.997 10.192 -2.514 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.385 11.247 -4.669 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.768 11.553 -4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.554 13.100 -2.405 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.213 12.555 -2.559 1.00 0.00 H new ATOM 661 N THR A 41 10.595 11.427 -0.715 1.00 0.00 N ATOM 662 CA THR A 41 9.912 11.752 0.526 1.00 0.00 C ATOM 663 C THR A 41 8.439 12.064 0.258 1.00 0.00 C ATOM 664 O THR A 41 7.559 11.579 0.968 1.00 0.00 O ATOM 665 CB THR A 41 10.666 12.905 1.193 1.00 0.00 C ATOM 666 OG1 THR A 41 11.509 12.263 2.146 1.00 0.00 O ATOM 667 CG2 THR A 41 9.751 13.790 2.041 1.00 0.00 C ATOM 0 H THR A 41 11.444 11.965 -0.888 1.00 0.00 H new ATOM 0 HA THR A 41 9.913 10.904 1.211 1.00 0.00 H new ATOM 0 HB THR A 41 11.151 13.512 0.428 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.036 12.937 2.624 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.336 14.592 2.491 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.973 14.219 1.410 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.291 13.191 2.827 1.00 0.00 H new ATOM 675 N ASN A 42 8.215 12.871 -0.768 1.00 0.00 N ATOM 676 CA ASN A 42 6.863 13.253 -1.138 1.00 0.00 C ATOM 677 C ASN A 42 6.462 12.518 -2.419 1.00 0.00 C ATOM 678 O ASN A 42 5.909 13.121 -3.337 1.00 0.00 O ATOM 679 CB ASN A 42 6.769 14.757 -1.407 1.00 0.00 C ATOM 680 CG ASN A 42 6.684 15.544 -0.098 1.00 0.00 C ATOM 681 OD1 ASN A 42 6.868 15.016 0.987 1.00 0.00 O ATOM 682 ND2 ASN A 42 6.397 16.832 -0.259 1.00 0.00 N ATOM 0 H ASN A 42 8.947 13.271 -1.355 1.00 0.00 H new ATOM 0 HA ASN A 42 6.201 12.992 -0.312 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.640 15.083 -1.976 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.892 14.966 -2.019 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.319 17.443 0.554 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.255 17.210 -1.196 1.00 0.00 H new ATOM 689 N CYS A 43 6.758 11.227 -2.439 1.00 0.00 N ATOM 690 CA CYS A 43 6.436 10.403 -3.592 1.00 0.00 C ATOM 691 C CYS A 43 5.684 9.165 -3.102 1.00 0.00 C ATOM 692 O CYS A 43 4.720 8.730 -3.731 1.00 0.00 O ATOM 693 CB CYS A 43 7.688 10.033 -4.390 1.00 0.00 C ATOM 694 SG CYS A 43 8.038 11.122 -5.818 1.00 0.00 S ATOM 0 H CYS A 43 7.217 10.731 -1.675 1.00 0.00 H new ATOM 0 HA CYS A 43 5.801 10.964 -4.278 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.547 10.050 -3.719 1.00 0.00 H new ATOM 0 HB3 CYS A 43 7.583 9.009 -4.749 1.00 0.00 H new ATOM 0 HG CYS A 43 9.119 10.718 -6.417 1.00 0.00 H new ATOM 699 N GLU A 44 6.152 8.631 -1.984 1.00 0.00 N ATOM 700 CA GLU A 44 5.536 7.450 -1.403 1.00 0.00 C ATOM 701 C GLU A 44 4.019 7.492 -1.600 1.00 0.00 C ATOM 702 O GLU A 44 3.382 6.452 -1.759 1.00 0.00 O ATOM 703 CB GLU A 44 5.892 7.319 0.079 1.00 0.00 C ATOM 704 CG GLU A 44 7.370 7.636 0.318 1.00 0.00 C ATOM 705 CD GLU A 44 7.875 6.964 1.597 1.00 0.00 C ATOM 706 OE1 GLU A 44 7.392 5.846 1.879 1.00 0.00 O ATOM 707 OE2 GLU A 44 8.732 7.583 2.263 1.00 0.00 O ATOM 0 H GLU A 44 6.951 8.994 -1.464 1.00 0.00 H new ATOM 0 HA GLU A 44 5.926 6.571 -1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.272 7.995 0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.673 6.307 0.421 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.961 7.297 -0.533 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.507 8.715 0.391 1.00 0.00 H new ATOM 714 N TRP A 45 3.485 8.704 -1.584 1.00 0.00 N ATOM 715 CA TRP A 45 2.056 8.895 -1.760 1.00 0.00 C ATOM 716 C TRP A 45 1.729 8.687 -3.240 1.00 0.00 C ATOM 717 O TRP A 45 0.922 7.827 -3.587 1.00 0.00 O ATOM 718 CB TRP A 45 1.616 10.264 -1.237 1.00 0.00 C ATOM 719 CG TRP A 45 1.590 10.368 0.289 1.00 0.00 C ATOM 720 CD1 TRP A 45 2.498 10.937 1.093 1.00 0.00 C ATOM 721 CD2 TRP A 45 0.562 9.863 1.168 1.00 0.00 C ATOM 722 NE1 TRP A 45 2.133 10.836 2.420 1.00 0.00 N ATOM 723 CE2 TRP A 45 0.918 10.163 2.467 1.00 0.00 C ATOM 724 CE3 TRP A 45 -0.629 9.176 0.874 1.00 0.00 C ATOM 725 CZ2 TRP A 45 0.137 9.814 3.576 1.00 0.00 C ATOM 726 CZ3 TRP A 45 -1.398 8.835 1.993 1.00 0.00 C ATOM 727 CH2 TRP A 45 -1.054 9.129 3.307 1.00 0.00 C ATOM 0 H TRP A 45 4.017 9.564 -1.452 1.00 0.00 H new ATOM 0 HA TRP A 45 1.495 8.166 -1.174 1.00 0.00 H new ATOM 0 HB2 TRP A 45 2.289 11.026 -1.631 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.621 10.486 -1.623 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.402 11.415 0.746 1.00 0.00 H new ATOM 0 HE1 TRP A 45 2.658 11.190 3.219 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.927 8.931 -0.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.437 10.060 4.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -2.324 8.306 1.823 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.703 8.830 4.117 1.00 0.00 H new ATOM 738 N SER A 46 2.374 9.491 -4.074 1.00 0.00 N ATOM 739 CA SER A 46 2.163 9.406 -5.509 1.00 0.00 C ATOM 740 C SER A 46 2.385 7.970 -5.987 1.00 0.00 C ATOM 741 O SER A 46 1.918 7.589 -7.059 1.00 0.00 O ATOM 742 CB SER A 46 3.089 10.365 -6.259 1.00 0.00 C ATOM 743 OG SER A 46 2.427 11.574 -6.620 1.00 0.00 O ATOM 0 H SER A 46 3.043 10.204 -3.783 1.00 0.00 H new ATOM 0 HA SER A 46 1.134 9.697 -5.721 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.953 10.597 -5.636 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.466 9.876 -7.157 1.00 0.00 H new ATOM 0 HG SER A 46 3.052 12.160 -7.095 1.00 0.00 H new ATOM 749 N ALA A 47 3.098 7.211 -5.167 1.00 0.00 N ATOM 750 CA ALA A 47 3.389 5.825 -5.493 1.00 0.00 C ATOM 751 C ALA A 47 2.243 4.939 -5.000 1.00 0.00 C ATOM 752 O ALA A 47 2.040 3.839 -5.511 1.00 0.00 O ATOM 753 CB ALA A 47 4.735 5.429 -4.885 1.00 0.00 C ATOM 0 H ALA A 47 3.483 7.530 -4.278 1.00 0.00 H new ATOM 0 HA ALA A 47 3.468 5.693 -6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.953 4.389 -5.130 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.519 6.069 -5.289 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.694 5.546 -3.802 1.00 0.00 H new ATOM 759 N PHE A 48 1.523 5.452 -4.013 1.00 0.00 N ATOM 760 CA PHE A 48 0.403 4.722 -3.445 1.00 0.00 C ATOM 761 C PHE A 48 -0.543 4.229 -4.543 1.00 0.00 C ATOM 762 O PHE A 48 -1.263 3.250 -4.353 1.00 0.00 O ATOM 763 CB PHE A 48 -0.352 5.694 -2.537 1.00 0.00 C ATOM 764 CG PHE A 48 -1.484 5.047 -1.736 1.00 0.00 C ATOM 765 CD1 PHE A 48 -1.196 4.169 -0.739 1.00 0.00 C ATOM 766 CD2 PHE A 48 -2.778 5.351 -2.023 1.00 0.00 C ATOM 767 CE1 PHE A 48 -2.246 3.569 0.004 1.00 0.00 C ATOM 768 CE2 PHE A 48 -3.829 4.750 -1.280 1.00 0.00 C ATOM 769 CZ PHE A 48 -3.541 3.872 -0.282 1.00 0.00 C ATOM 0 H PHE A 48 1.694 6.365 -3.592 1.00 0.00 H new ATOM 0 HA PHE A 48 0.766 3.853 -2.897 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.355 6.151 -1.844 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.765 6.498 -3.146 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.168 3.928 -0.512 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.006 6.049 -2.815 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.017 2.872 0.796 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.857 4.990 -1.508 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.340 3.416 0.283 1.00 0.00 H new ATOM 779 N SER A 49 -0.511 4.931 -5.666 1.00 0.00 N ATOM 780 CA SER A 49 -1.356 4.577 -6.794 1.00 0.00 C ATOM 781 C SER A 49 -0.797 3.341 -7.500 1.00 0.00 C ATOM 782 O SER A 49 -1.554 2.473 -7.932 1.00 0.00 O ATOM 783 CB SER A 49 -1.476 5.742 -7.779 1.00 0.00 C ATOM 784 OG SER A 49 -2.828 6.162 -7.946 1.00 0.00 O ATOM 0 H SER A 49 0.087 5.743 -5.819 1.00 0.00 H new ATOM 0 HA SER A 49 -2.353 4.351 -6.416 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.877 6.580 -7.424 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.067 5.444 -8.744 1.00 0.00 H new ATOM 0 HG SER A 49 -2.863 6.908 -8.581 1.00 0.00 H new ATOM 790 N CYS A 50 0.524 3.299 -7.595 1.00 0.00 N ATOM 791 CA CYS A 50 1.193 2.184 -8.241 1.00 0.00 C ATOM 792 C CYS A 50 0.753 0.893 -7.548 1.00 0.00 C ATOM 793 O CYS A 50 0.544 -0.127 -8.203 1.00 0.00 O ATOM 794 CB CYS A 50 2.714 2.350 -8.224 1.00 0.00 C ATOM 795 SG CYS A 50 3.401 3.275 -9.646 1.00 0.00 S ATOM 0 H CYS A 50 1.149 4.020 -7.235 1.00 0.00 H new ATOM 0 HA CYS A 50 0.909 2.146 -9.293 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.999 2.861 -7.304 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.173 1.362 -8.195 1.00 0.00 H new ATOM 0 HG CYS A 50 4.693 3.357 -9.527 1.00 0.00 H new ATOM 800 N PHE A 51 0.625 0.979 -6.232 1.00 0.00 N ATOM 801 CA PHE A 51 0.213 -0.170 -5.443 1.00 0.00 C ATOM 802 C PHE A 51 -1.288 -0.425 -5.588 1.00 0.00 C ATOM 803 O PHE A 51 -1.739 -1.566 -5.506 1.00 0.00 O ATOM 804 CB PHE A 51 0.524 0.157 -3.981 1.00 0.00 C ATOM 805 CG PHE A 51 2.012 0.087 -3.631 1.00 0.00 C ATOM 806 CD1 PHE A 51 2.634 -1.120 -3.543 1.00 0.00 C ATOM 807 CD2 PHE A 51 2.712 1.231 -3.407 1.00 0.00 C ATOM 808 CE1 PHE A 51 4.014 -1.185 -3.218 1.00 0.00 C ATOM 809 CE2 PHE A 51 4.093 1.165 -3.081 1.00 0.00 C ATOM 810 CZ PHE A 51 4.715 -0.041 -2.994 1.00 0.00 C ATOM 0 H PHE A 51 0.799 1.827 -5.692 1.00 0.00 H new ATOM 0 HA PHE A 51 0.740 -1.062 -5.782 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.155 1.158 -3.757 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.022 -0.535 -3.340 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.078 -2.028 -3.720 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.218 2.189 -3.477 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.508 -2.143 -3.149 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.649 2.073 -2.902 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.765 -0.091 -2.747 1.00 0.00 H new ATOM 820 N GLN A 52 -2.022 0.658 -5.802 1.00 0.00 N ATOM 821 CA GLN A 52 -3.464 0.566 -5.959 1.00 0.00 C ATOM 822 C GLN A 52 -3.811 -0.088 -7.298 1.00 0.00 C ATOM 823 O GLN A 52 -4.500 -1.107 -7.335 1.00 0.00 O ATOM 824 CB GLN A 52 -4.117 1.944 -5.836 1.00 0.00 C ATOM 825 CG GLN A 52 -5.643 1.832 -5.873 1.00 0.00 C ATOM 826 CD GLN A 52 -6.216 2.557 -7.093 1.00 0.00 C ATOM 827 OE1 GLN A 52 -6.496 3.744 -7.067 1.00 0.00 O ATOM 828 NE2 GLN A 52 -6.375 1.778 -8.159 1.00 0.00 N ATOM 0 H GLN A 52 -1.645 1.603 -5.870 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.859 -0.060 -5.158 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.806 2.416 -4.904 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.776 2.586 -6.648 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.934 0.782 -5.900 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.065 2.256 -4.962 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.120 0.791 -8.112 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.752 2.167 -9.023 1.00 0.00 H new ATOM 837 N LYS A 53 -3.318 0.524 -8.365 1.00 0.00 N ATOM 838 CA LYS A 53 -3.567 0.013 -9.702 1.00 0.00 C ATOM 839 C LYS A 53 -3.067 -1.429 -9.794 1.00 0.00 C ATOM 840 O LYS A 53 -3.506 -2.188 -10.658 1.00 0.00 O ATOM 841 CB LYS A 53 -2.958 0.944 -10.753 1.00 0.00 C ATOM 842 CG LYS A 53 -1.430 0.891 -10.712 1.00 0.00 C ATOM 843 CD LYS A 53 -0.823 1.642 -11.898 1.00 0.00 C ATOM 844 CE LYS A 53 -0.407 0.673 -13.007 1.00 0.00 C ATOM 845 NZ LYS A 53 -0.826 1.188 -14.330 1.00 0.00 N ATOM 0 H LYS A 53 -2.747 1.369 -8.331 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.637 -0.007 -9.909 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.309 0.658 -11.745 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.295 1.966 -10.578 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.072 1.327 -9.779 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.098 -0.147 -10.726 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.546 2.358 -12.288 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.044 2.214 -11.566 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.674 0.534 -12.990 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.857 -0.304 -12.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.536 0.518 -15.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.860 1.298 -14.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.377 2.110 -14.502 1.00 0.00 H new ATOM 859 N ALA A 54 -2.156 -1.765 -8.893 1.00 0.00 N ATOM 860 CA ALA A 54 -1.592 -3.104 -8.861 1.00 0.00 C ATOM 861 C ALA A 54 -2.720 -4.125 -8.703 1.00 0.00 C ATOM 862 O ALA A 54 -3.023 -4.871 -9.633 1.00 0.00 O ATOM 863 CB ALA A 54 -0.559 -3.196 -7.736 1.00 0.00 C ATOM 0 H ALA A 54 -1.794 -1.133 -8.179 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.077 -3.326 -9.795 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.136 -4.200 -7.712 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.236 -2.471 -7.912 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.040 -2.982 -6.782 1.00 0.00 H new ATOM 869 N GLN A 55 -3.312 -4.125 -7.517 1.00 0.00 N ATOM 870 CA GLN A 55 -4.400 -5.042 -7.225 1.00 0.00 C ATOM 871 C GLN A 55 -3.877 -6.478 -7.143 1.00 0.00 C ATOM 872 O GLN A 55 -3.288 -6.983 -8.098 1.00 0.00 O ATOM 873 CB GLN A 55 -5.514 -4.923 -8.267 1.00 0.00 C ATOM 874 CG GLN A 55 -6.733 -5.756 -7.866 1.00 0.00 C ATOM 875 CD GLN A 55 -7.393 -6.388 -9.093 1.00 0.00 C ATOM 876 OE1 GLN A 55 -6.740 -6.901 -9.986 1.00 0.00 O ATOM 877 NE2 GLN A 55 -8.721 -6.321 -9.087 1.00 0.00 N ATOM 0 H GLN A 55 -3.059 -3.505 -6.748 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.824 -4.774 -6.257 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.804 -3.878 -8.377 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.146 -5.255 -9.238 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.431 -6.537 -7.168 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.454 -5.125 -7.345 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.206 -5.877 -8.307 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.255 -6.714 -9.862 1.00 0.00 H new ATOM 886 N LEU A 56 -4.112 -7.095 -5.994 1.00 0.00 N ATOM 887 CA LEU A 56 -3.672 -8.463 -5.776 1.00 0.00 C ATOM 888 C LEU A 56 -4.762 -9.426 -6.248 1.00 0.00 C ATOM 889 O LEU A 56 -5.947 -9.100 -6.201 1.00 0.00 O ATOM 890 CB LEU A 56 -3.261 -8.666 -4.316 1.00 0.00 C ATOM 891 CG LEU A 56 -3.050 -10.116 -3.875 1.00 0.00 C ATOM 892 CD1 LEU A 56 -4.380 -10.871 -3.820 1.00 0.00 C ATOM 893 CD2 LEU A 56 -2.029 -10.820 -4.771 1.00 0.00 C ATOM 0 H LEU A 56 -4.601 -6.673 -5.205 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.781 -8.676 -6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.337 -8.115 -4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.025 -8.221 -3.679 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.641 -10.109 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.202 -11.899 -3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.046 -10.383 -3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.840 -10.870 -4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.898 -11.849 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.386 -10.817 -5.801 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.075 -10.296 -4.716 1.00 0.00 H new ATOM 905 N LYS A 57 -4.323 -10.595 -6.693 1.00 0.00 N ATOM 906 CA LYS A 57 -5.247 -11.608 -7.173 1.00 0.00 C ATOM 907 C LYS A 57 -4.916 -12.948 -6.512 1.00 0.00 C ATOM 908 O LYS A 57 -3.747 -13.303 -6.371 1.00 0.00 O ATOM 909 CB LYS A 57 -5.239 -11.658 -8.702 1.00 0.00 C ATOM 910 CG LYS A 57 -6.577 -12.170 -9.241 1.00 0.00 C ATOM 911 CD LYS A 57 -7.627 -11.058 -9.246 1.00 0.00 C ATOM 912 CE LYS A 57 -9.027 -11.628 -9.484 1.00 0.00 C ATOM 913 NZ LYS A 57 -10.059 -10.696 -8.977 1.00 0.00 N ATOM 0 H LYS A 57 -3.339 -10.863 -6.731 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.269 -11.357 -6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.039 -10.664 -9.101 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.433 -12.307 -9.044 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.443 -12.553 -10.253 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.926 -13.002 -8.629 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.604 -10.526 -8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.389 -10.332 -10.023 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.179 -11.803 -10.549 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.123 -12.593 -8.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.003 -11.098 -9.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.923 -10.549 -7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.977 -9.785 -9.472 1.00 0.00 H new ATOM 927 N SER A 58 -5.967 -13.655 -6.124 1.00 0.00 N ATOM 928 CA SER A 58 -5.803 -14.948 -5.481 1.00 0.00 C ATOM 929 C SER A 58 -5.422 -16.004 -6.520 1.00 0.00 C ATOM 930 O SER A 58 -5.751 -15.869 -7.697 1.00 0.00 O ATOM 931 CB SER A 58 -7.079 -15.363 -4.745 1.00 0.00 C ATOM 932 OG SER A 58 -8.211 -14.610 -5.174 1.00 0.00 O ATOM 0 H SER A 58 -6.935 -13.357 -6.242 1.00 0.00 H new ATOM 0 HA SER A 58 -5.003 -14.866 -4.746 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.265 -16.424 -4.912 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.939 -15.228 -3.672 1.00 0.00 H new ATOM 0 HG SER A 58 -8.723 -15.132 -5.826 1.00 0.00 H new ATOM 938 N ALA A 59 -4.734 -17.032 -6.046 1.00 0.00 N ATOM 939 CA ALA A 59 -4.304 -18.111 -6.919 1.00 0.00 C ATOM 940 C ALA A 59 -5.531 -18.882 -7.412 1.00 0.00 C ATOM 941 O ALA A 59 -5.426 -19.712 -8.314 1.00 0.00 O ATOM 942 CB ALA A 59 -3.314 -19.008 -6.174 1.00 0.00 C ATOM 0 H ALA A 59 -4.464 -17.141 -5.069 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.789 -17.714 -7.794 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.992 -19.817 -6.829 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.448 -18.420 -5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.796 -19.427 -5.291 1.00 0.00 H new ATOM 948 N ASN A 60 -6.666 -18.579 -6.799 1.00 0.00 N ATOM 949 CA ASN A 60 -7.911 -19.233 -7.164 1.00 0.00 C ATOM 950 C ASN A 60 -7.923 -20.652 -6.593 1.00 0.00 C ATOM 951 O ASN A 60 -8.144 -21.617 -7.324 1.00 0.00 O ATOM 952 CB ASN A 60 -8.055 -19.333 -8.684 1.00 0.00 C ATOM 953 CG ASN A 60 -7.581 -18.048 -9.366 1.00 0.00 C ATOM 954 OD1 ASN A 60 -6.406 -17.852 -9.629 1.00 0.00 O ATOM 955 ND2 ASN A 60 -8.558 -17.187 -9.636 1.00 0.00 N ATOM 0 H ASN A 60 -6.749 -17.889 -6.052 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.734 -18.641 -6.762 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.476 -20.179 -9.053 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.097 -19.523 -8.942 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.344 -16.299 -10.091 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.521 -17.414 -9.389 1.00 0.00 H new ATOM 997 N ASN A 64 -9.299 -19.118 1.425 1.00 0.00 N ATOM 998 CA ASN A 64 -8.966 -17.747 1.773 1.00 0.00 C ATOM 999 C ASN A 64 -8.913 -16.901 0.500 1.00 0.00 C ATOM 1000 O ASN A 64 -8.195 -15.903 0.443 1.00 0.00 O ATOM 1001 CB ASN A 64 -7.596 -17.669 2.450 1.00 0.00 C ATOM 1002 CG ASN A 64 -7.262 -18.979 3.165 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -6.309 -19.668 2.840 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -8.097 -19.284 4.155 1.00 0.00 N ATOM 0 HA ASN A 64 -9.729 -17.378 2.458 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.830 -17.452 1.705 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.587 -16.847 3.166 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.959 -20.139 4.694 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.875 -18.663 4.375 1.00 0.00 H new ATOM 1011 N GLU A 65 -9.682 -17.329 -0.490 1.00 0.00 N ATOM 1012 CA GLU A 65 -9.732 -16.623 -1.759 1.00 0.00 C ATOM 1013 C GLU A 65 -10.494 -15.305 -1.603 1.00 0.00 C ATOM 1014 O GLU A 65 -9.964 -14.238 -1.909 1.00 0.00 O ATOM 1015 CB GLU A 65 -10.362 -17.495 -2.847 1.00 0.00 C ATOM 1016 CG GLU A 65 -10.120 -16.899 -4.235 1.00 0.00 C ATOM 1017 CD GLU A 65 -11.443 -16.651 -4.964 1.00 0.00 C ATOM 1018 OE1 GLU A 65 -11.938 -17.616 -5.585 1.00 0.00 O ATOM 1019 OE2 GLU A 65 -11.929 -15.503 -4.882 1.00 0.00 O ATOM 0 H GLU A 65 -10.276 -18.157 -0.439 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.711 -16.396 -2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.943 -18.500 -2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.433 -17.588 -2.669 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.571 -15.962 -4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.499 -17.575 -4.822 1.00 0.00 H new ATOM 1026 N ARG A 66 -11.725 -15.423 -1.127 1.00 0.00 N ATOM 1027 CA ARG A 66 -12.564 -14.254 -0.927 1.00 0.00 C ATOM 1028 C ARG A 66 -11.913 -13.297 0.073 1.00 0.00 C ATOM 1029 O ARG A 66 -11.802 -12.100 -0.189 1.00 0.00 O ATOM 1030 CB ARG A 66 -13.949 -14.652 -0.413 1.00 0.00 C ATOM 1031 CG ARG A 66 -14.426 -15.949 -1.070 1.00 0.00 C ATOM 1032 CD ARG A 66 -15.954 -16.035 -1.069 1.00 0.00 C ATOM 1033 NE ARG A 66 -16.486 -15.580 -2.373 1.00 0.00 N ATOM 1034 CZ ARG A 66 -17.766 -15.713 -2.750 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -18.650 -16.289 -1.924 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -18.160 -15.271 -3.951 1.00 0.00 N ATOM 0 H ARG A 66 -12.161 -16.310 -0.874 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.675 -13.757 -1.891 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.917 -14.779 0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -14.661 -13.853 -0.619 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -14.056 -15.999 -2.094 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.010 -16.805 -0.538 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.269 -17.061 -0.876 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.361 -15.420 -0.266 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.839 -15.138 -3.026 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -18.349 -16.626 -1.009 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -19.624 -16.391 -2.210 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -17.486 -14.833 -4.579 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -19.134 -15.372 -4.237 1.00 0.00 H new ATOM 1050 N ILE A 67 -11.498 -13.860 1.199 1.00 0.00 N ATOM 1051 CA ILE A 67 -10.860 -13.072 2.239 1.00 0.00 C ATOM 1052 C ILE A 67 -9.689 -12.293 1.637 1.00 0.00 C ATOM 1053 O ILE A 67 -9.171 -11.366 2.258 1.00 0.00 O ATOM 1054 CB ILE A 67 -10.465 -13.962 3.419 1.00 0.00 C ATOM 1055 CG1 ILE A 67 -10.383 -13.151 4.714 1.00 0.00 C ATOM 1056 CG2 ILE A 67 -9.164 -14.711 3.129 1.00 0.00 C ATOM 1057 CD1 ILE A 67 -11.777 -12.744 5.196 1.00 0.00 C ATOM 0 H ILE A 67 -11.592 -14.853 1.413 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.557 -12.338 2.643 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.244 -14.712 3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.885 -13.739 5.485 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.776 -12.260 4.552 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.906 -15.336 3.984 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.294 -15.338 2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.363 -13.993 2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.690 -12.169 6.118 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.262 -12.135 4.433 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -12.373 -13.637 5.381 1.00 0.00 H new ATOM 1069 N ILE A 68 -9.307 -12.697 0.435 1.00 0.00 N ATOM 1070 CA ILE A 68 -8.206 -12.049 -0.258 1.00 0.00 C ATOM 1071 C ILE A 68 -8.762 -10.976 -1.196 1.00 0.00 C ATOM 1072 O ILE A 68 -8.195 -9.889 -1.307 1.00 0.00 O ATOM 1073 CB ILE A 68 -7.330 -13.087 -0.961 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -5.936 -13.144 -0.333 1.00 0.00 C ATOM 1075 CG2 ILE A 68 -7.269 -12.823 -2.467 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -5.807 -14.347 0.605 1.00 0.00 C ATOM 0 H ILE A 68 -9.740 -13.465 -0.077 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.552 -11.544 0.453 1.00 0.00 H new ATOM 0 HB ILE A 68 -7.786 -14.068 -0.824 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.182 -13.207 -1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.744 -12.225 0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.640 -13.575 -2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.274 -12.873 -2.886 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.850 -11.833 -2.646 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.807 -14.365 1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.547 -14.268 1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.975 -15.266 0.043 1.00 0.00 H new ATOM 1088 N ASN A 69 -9.864 -11.317 -1.848 1.00 0.00 N ATOM 1089 CA ASN A 69 -10.502 -10.396 -2.773 1.00 0.00 C ATOM 1090 C ASN A 69 -11.186 -9.279 -1.983 1.00 0.00 C ATOM 1091 O ASN A 69 -11.474 -8.215 -2.529 1.00 0.00 O ATOM 1092 CB ASN A 69 -11.569 -11.106 -3.608 1.00 0.00 C ATOM 1093 CG ASN A 69 -11.399 -10.794 -5.096 1.00 0.00 C ATOM 1094 OD1 ASN A 69 -11.038 -9.697 -5.489 1.00 0.00 O ATOM 1095 ND2 ASN A 69 -11.677 -11.817 -5.899 1.00 0.00 N ATOM 0 H ASN A 69 -10.331 -12.219 -1.754 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.734 -9.995 -3.434 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -11.504 -12.182 -3.449 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -12.560 -10.795 -3.279 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.593 -11.709 -6.910 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.974 -12.709 -5.504 1.00 0.00 H new ATOM 1102 N VAL A 70 -11.426 -9.559 -0.710 1.00 0.00 N ATOM 1103 CA VAL A 70 -12.071 -8.590 0.160 1.00 0.00 C ATOM 1104 C VAL A 70 -11.103 -7.439 0.440 1.00 0.00 C ATOM 1105 O VAL A 70 -11.508 -6.278 0.475 1.00 0.00 O ATOM 1106 CB VAL A 70 -12.565 -9.279 1.434 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -13.369 -10.537 1.100 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -11.398 -9.606 2.368 1.00 0.00 C ATOM 0 H VAL A 70 -11.185 -10.442 -0.261 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.949 -8.165 -0.326 1.00 0.00 H new ATOM 0 HB VAL A 70 -13.227 -8.587 1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.708 -11.008 2.023 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.232 -10.266 0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.740 -11.235 0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.776 -10.095 3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.700 -10.271 1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.885 -8.685 2.645 1.00 0.00 H new ATOM 1118 N SER A 71 -9.843 -7.800 0.632 1.00 0.00 N ATOM 1119 CA SER A 71 -8.815 -6.812 0.907 1.00 0.00 C ATOM 1120 C SER A 71 -8.599 -5.924 -0.321 1.00 0.00 C ATOM 1121 O SER A 71 -8.049 -4.830 -0.211 1.00 0.00 O ATOM 1122 CB SER A 71 -7.501 -7.482 1.314 1.00 0.00 C ATOM 1123 OG SER A 71 -7.540 -7.963 2.655 1.00 0.00 O ATOM 0 H SER A 71 -9.511 -8.764 0.602 1.00 0.00 H new ATOM 0 HA SER A 71 -9.150 -6.194 1.740 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.292 -8.311 0.638 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.683 -6.770 1.208 1.00 0.00 H new ATOM 0 HG SER A 71 -6.684 -8.385 2.876 1.00 0.00 H new ATOM 1129 N ILE A 72 -9.045 -6.429 -1.462 1.00 0.00 N ATOM 1130 CA ILE A 72 -8.908 -5.697 -2.709 1.00 0.00 C ATOM 1131 C ILE A 72 -9.625 -4.351 -2.586 1.00 0.00 C ATOM 1132 O ILE A 72 -9.105 -3.324 -3.019 1.00 0.00 O ATOM 1133 CB ILE A 72 -9.392 -6.546 -3.885 1.00 0.00 C ATOM 1134 CG1 ILE A 72 -8.678 -7.899 -3.916 1.00 0.00 C ATOM 1135 CG2 ILE A 72 -9.242 -5.789 -5.207 1.00 0.00 C ATOM 1136 CD1 ILE A 72 -7.207 -7.733 -4.300 1.00 0.00 C ATOM 0 H ILE A 72 -9.502 -7.337 -1.549 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.859 -5.483 -2.912 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.455 -6.746 -3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.751 -8.375 -2.938 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.172 -8.559 -4.630 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.593 -6.415 -6.027 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.832 -4.873 -5.171 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.193 -5.538 -5.366 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.722 -8.709 -4.315 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.138 -7.279 -5.288 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.711 -7.093 -3.571 1.00 0.00 H new ATOM 1148 N LYS A 73 -10.809 -4.399 -1.992 1.00 0.00 N ATOM 1149 CA LYS A 73 -11.603 -3.196 -1.806 1.00 0.00 C ATOM 1150 C LYS A 73 -10.765 -2.146 -1.074 1.00 0.00 C ATOM 1151 O LYS A 73 -10.531 -1.058 -1.598 1.00 0.00 O ATOM 1152 CB LYS A 73 -12.922 -3.528 -1.107 1.00 0.00 C ATOM 1153 CG LYS A 73 -14.115 -3.006 -1.910 1.00 0.00 C ATOM 1154 CD LYS A 73 -15.433 -3.532 -1.339 1.00 0.00 C ATOM 1155 CE LYS A 73 -16.031 -4.612 -2.242 1.00 0.00 C ATOM 1156 NZ LYS A 73 -16.772 -5.610 -1.438 1.00 0.00 N ATOM 0 H LYS A 73 -11.237 -5.252 -1.633 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.879 -2.768 -2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.009 -4.607 -0.980 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.930 -3.088 -0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.118 -1.916 -1.896 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.018 -3.312 -2.952 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.264 -3.939 -0.342 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -16.141 -2.710 -1.232 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.700 -4.155 -2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.237 -5.105 -2.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.171 -6.336 -2.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.124 -6.059 -0.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.542 -5.138 -0.922 1.00 0.00 H new ATOM 1170 N LYS A 74 -10.338 -2.508 0.127 1.00 0.00 N ATOM 1171 CA LYS A 74 -9.532 -1.610 0.937 1.00 0.00 C ATOM 1172 C LYS A 74 -8.226 -1.302 0.202 1.00 0.00 C ATOM 1173 O LYS A 74 -7.890 -0.139 -0.014 1.00 0.00 O ATOM 1174 CB LYS A 74 -9.327 -2.190 2.337 1.00 0.00 C ATOM 1175 CG LYS A 74 -10.638 -2.192 3.127 1.00 0.00 C ATOM 1176 CD LYS A 74 -10.623 -1.118 4.217 1.00 0.00 C ATOM 1177 CE LYS A 74 -12.032 -0.582 4.478 1.00 0.00 C ATOM 1178 NZ LYS A 74 -11.976 0.832 4.910 1.00 0.00 N ATOM 0 H LYS A 74 -10.535 -3.411 0.559 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.048 -0.661 1.083 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.943 -3.207 2.260 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.578 -1.605 2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.475 -2.017 2.451 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.793 -3.172 3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.212 -1.534 5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.968 -0.300 3.917 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.634 -0.669 3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.520 -1.184 5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.940 1.181 5.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.419 0.906 5.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.529 1.405 4.166 1.00 0.00 H new ATOM 1192 N LEU A 75 -7.524 -2.365 -0.162 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.261 -2.223 -0.868 1.00 0.00 C ATOM 1194 C LEU A 75 -6.380 -1.094 -1.894 1.00 0.00 C ATOM 1195 O LEU A 75 -5.561 -0.177 -1.911 1.00 0.00 O ATOM 1196 CB LEU A 75 -5.832 -3.561 -1.473 1.00 0.00 C ATOM 1197 CG LEU A 75 -4.391 -3.636 -1.981 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -3.410 -3.824 -0.822 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -4.240 -4.727 -3.043 1.00 0.00 C ATOM 0 H LEU A 75 -7.806 -3.329 0.019 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.467 -1.943 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.972 -4.338 -0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.501 -3.794 -2.302 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.147 -2.687 -2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.393 -3.874 -1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.494 -2.983 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.643 -4.749 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.206 -4.759 -3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.510 -5.692 -2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.896 -4.508 -3.885 1.00 0.00 H new ATOM 1211 N LYS A 76 -7.408 -1.198 -2.724 1.00 0.00 N ATOM 1212 CA LYS A 76 -7.644 -0.197 -3.751 1.00 0.00 C ATOM 1213 C LYS A 76 -8.196 1.073 -3.101 1.00 0.00 C ATOM 1214 O LYS A 76 -9.320 1.483 -3.387 1.00 0.00 O ATOM 1215 CB LYS A 76 -8.541 -0.763 -4.854 1.00 0.00 C ATOM 1216 CG LYS A 76 -7.726 -1.585 -5.855 1.00 0.00 C ATOM 1217 CD LYS A 76 -8.318 -1.479 -7.262 1.00 0.00 C ATOM 1218 CE LYS A 76 -9.580 -2.334 -7.392 1.00 0.00 C ATOM 1219 NZ LYS A 76 -10.087 -2.302 -8.782 1.00 0.00 N ATOM 0 H LYS A 76 -8.086 -1.959 -2.706 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.709 0.075 -4.240 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.317 -1.387 -4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.045 0.053 -5.372 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.694 -1.235 -5.864 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.706 -2.629 -5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.555 -0.438 -7.483 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.579 -1.801 -7.996 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.362 -3.362 -7.102 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.347 -1.967 -6.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.944 -2.887 -8.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.314 -1.322 -9.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.360 -2.674 -9.425 1.00 0.00 H new ATOM 1233 N ARG A 77 -7.380 1.660 -2.238 1.00 0.00 N ATOM 1234 CA ARG A 77 -7.772 2.876 -1.546 1.00 0.00 C ATOM 1235 C ARG A 77 -7.326 4.106 -2.338 1.00 0.00 C ATOM 1236 O ARG A 77 -6.482 4.004 -3.227 1.00 0.00 O ATOM 1237 CB ARG A 77 -7.162 2.932 -0.144 1.00 0.00 C ATOM 1238 CG ARG A 77 -8.227 2.690 0.928 1.00 0.00 C ATOM 1239 CD ARG A 77 -9.219 3.853 0.989 1.00 0.00 C ATOM 1240 NE ARG A 77 -8.563 5.047 1.568 1.00 0.00 N ATOM 1241 CZ ARG A 77 -9.030 6.296 1.441 1.00 0.00 C ATOM 1242 NH1 ARG A 77 -10.159 6.523 0.755 1.00 0.00 N ATOM 1243 NH2 ARG A 77 -8.369 7.319 2.001 1.00 0.00 N ATOM 0 H ARG A 77 -6.449 1.316 -2.002 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.858 2.872 -1.458 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.375 2.183 -0.056 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.695 3.904 0.015 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -8.760 1.764 0.713 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.748 2.565 1.899 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -9.588 4.080 -0.011 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -10.083 3.574 1.592 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.702 4.910 2.097 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -10.663 5.745 0.330 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -10.515 7.474 0.658 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.510 7.146 2.524 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.725 8.270 1.904 1.00 0.00 H new ATOM 1257 N LYS A 78 -7.913 5.241 -1.987 1.00 0.00 N ATOM 1258 CA LYS A 78 -7.587 6.490 -2.655 1.00 0.00 C ATOM 1259 C LYS A 78 -6.635 7.301 -1.774 1.00 0.00 C ATOM 1260 O LYS A 78 -6.743 7.274 -0.549 1.00 0.00 O ATOM 1261 CB LYS A 78 -8.863 7.243 -3.037 1.00 0.00 C ATOM 1262 CG LYS A 78 -8.871 7.589 -4.527 1.00 0.00 C ATOM 1263 CD LYS A 78 -9.274 9.048 -4.749 1.00 0.00 C ATOM 1264 CE LYS A 78 -10.419 9.153 -5.758 1.00 0.00 C ATOM 1265 NZ LYS A 78 -10.615 10.559 -6.175 1.00 0.00 N ATOM 0 H LYS A 78 -8.612 5.322 -1.249 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.067 6.296 -3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.734 6.634 -2.797 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.940 8.157 -2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.882 7.413 -4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.564 6.932 -5.053 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.577 9.493 -3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.415 9.616 -5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.201 8.536 -6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.338 8.767 -5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.396 10.612 -6.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.844 11.139 -5.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.743 10.915 -6.616 1.00 0.00 H new ATOM 1279 N PRO A 79 -5.699 8.021 -2.449 1.00 0.00 N ATOM 1280 CA PRO A 79 -4.729 8.838 -1.741 1.00 0.00 C ATOM 1281 C PRO A 79 -5.376 10.116 -1.204 1.00 0.00 C ATOM 1282 O PRO A 79 -6.538 10.397 -1.493 1.00 0.00 O ATOM 1283 CB PRO A 79 -3.629 9.109 -2.754 1.00 0.00 C ATOM 1284 CG PRO A 79 -4.240 8.830 -4.117 1.00 0.00 C ATOM 1285 CD PRO A 79 -5.541 8.076 -3.899 1.00 0.00 C ATOM 0 HA PRO A 79 -4.326 8.342 -0.858 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.280 10.140 -2.686 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.766 8.468 -2.574 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.424 9.762 -4.651 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.556 8.242 -4.729 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.380 8.589 -4.370 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -5.496 7.076 -4.331 1.00 0.00 H new ATOM 1628 N LYS A 102 8.048 -4.797 -12.945 1.00 0.00 N ATOM 1629 CA LYS A 102 6.968 -5.466 -12.240 1.00 0.00 C ATOM 1630 C LYS A 102 7.540 -6.219 -11.037 1.00 0.00 C ATOM 1631 O LYS A 102 8.748 -6.200 -10.805 1.00 0.00 O ATOM 1632 CB LYS A 102 6.170 -6.353 -13.197 1.00 0.00 C ATOM 1633 CG LYS A 102 5.622 -5.538 -14.371 1.00 0.00 C ATOM 1634 CD LYS A 102 4.342 -4.800 -13.975 1.00 0.00 C ATOM 1635 CE LYS A 102 4.573 -3.288 -13.931 1.00 0.00 C ATOM 1636 NZ LYS A 102 3.449 -2.573 -14.577 1.00 0.00 N ATOM 0 HA LYS A 102 6.257 -4.736 -11.852 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.806 -7.155 -13.572 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.346 -6.824 -12.661 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.373 -4.820 -14.702 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.419 -6.199 -15.214 1.00 0.00 H new ATOM 0 HD2 LYS A 102 3.550 -5.030 -14.688 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.004 -5.149 -12.999 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.674 -2.960 -12.897 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.507 -3.042 -14.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 3.622 -1.548 -14.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.371 -2.874 -15.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 2.564 -2.794 -14.077 1.00 0.00 H new ATOM 1650 N LYS A 103 6.645 -6.863 -10.302 1.00 0.00 N ATOM 1651 CA LYS A 103 7.045 -7.621 -9.129 1.00 0.00 C ATOM 1652 C LYS A 103 5.917 -8.575 -8.733 1.00 0.00 C ATOM 1653 O LYS A 103 4.781 -8.418 -9.180 1.00 0.00 O ATOM 1654 CB LYS A 103 7.476 -6.678 -8.004 1.00 0.00 C ATOM 1655 CG LYS A 103 8.999 -6.655 -7.860 1.00 0.00 C ATOM 1656 CD LYS A 103 9.519 -5.220 -7.754 1.00 0.00 C ATOM 1657 CE LYS A 103 10.909 -5.093 -8.381 1.00 0.00 C ATOM 1658 NZ LYS A 103 11.955 -5.138 -7.334 1.00 0.00 N ATOM 0 H LYS A 103 5.644 -6.875 -10.496 1.00 0.00 H new ATOM 0 HA LYS A 103 7.918 -8.235 -9.352 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.111 -5.671 -8.209 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.023 -6.996 -7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.292 -7.218 -6.974 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.456 -7.149 -8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.828 -4.541 -8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.560 -4.921 -6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.067 -5.900 -9.096 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.981 -4.157 -8.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.892 -5.051 -7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.812 -4.353 -6.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 11.896 -6.042 -6.823 1.00 0.00 H new ATOM 1672 N PRO A 104 6.277 -9.569 -7.878 1.00 0.00 N ATOM 1673 CA PRO A 104 5.308 -10.548 -7.417 1.00 0.00 C ATOM 1674 C PRO A 104 4.370 -9.942 -6.372 1.00 0.00 C ATOM 1675 O PRO A 104 4.560 -8.803 -5.949 1.00 0.00 O ATOM 1676 CB PRO A 104 6.139 -11.699 -6.874 1.00 0.00 C ATOM 1677 CG PRO A 104 7.526 -11.129 -6.623 1.00 0.00 C ATOM 1678 CD PRO A 104 7.613 -9.786 -7.329 1.00 0.00 C ATOM 0 HA PRO A 104 4.647 -10.892 -8.213 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.706 -12.093 -5.955 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.178 -12.523 -7.587 1.00 0.00 H new ATOM 0 HG2 PRO A 104 7.702 -11.010 -5.554 1.00 0.00 H new ATOM 0 HG3 PRO A 104 8.291 -11.808 -6.999 1.00 0.00 H new ATOM 0 HD2 PRO A 104 7.890 -8.992 -6.636 1.00 0.00 H new ATOM 0 HD3 PRO A 104 8.367 -9.800 -8.116 1.00 0.00 H new ATOM 1686 N PRO A 105 3.352 -10.751 -5.975 1.00 0.00 N ATOM 1687 CA PRO A 105 2.384 -10.306 -4.987 1.00 0.00 C ATOM 1688 C PRO A 105 2.989 -10.320 -3.582 1.00 0.00 C ATOM 1689 O PRO A 105 2.484 -9.656 -2.678 1.00 0.00 O ATOM 1690 CB PRO A 105 1.205 -11.254 -5.136 1.00 0.00 C ATOM 1691 CG PRO A 105 1.741 -12.472 -5.871 1.00 0.00 C ATOM 1692 CD PRO A 105 3.096 -12.106 -6.454 1.00 0.00 C ATOM 0 HA PRO A 105 2.069 -9.274 -5.141 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.801 -11.532 -4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.395 -10.785 -5.695 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.834 -13.318 -5.190 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.054 -12.773 -6.662 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.870 -12.797 -6.120 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.082 -12.145 -7.543 1.00 0.00 H new ATOM 1700 N LYS A 106 4.062 -11.085 -3.442 1.00 0.00 N ATOM 1701 CA LYS A 106 4.741 -11.194 -2.162 1.00 0.00 C ATOM 1702 C LYS A 106 5.437 -9.869 -1.843 1.00 0.00 C ATOM 1703 O LYS A 106 5.210 -9.284 -0.785 1.00 0.00 O ATOM 1704 CB LYS A 106 5.683 -12.400 -2.156 1.00 0.00 C ATOM 1705 CG LYS A 106 5.919 -12.905 -0.732 1.00 0.00 C ATOM 1706 CD LYS A 106 7.376 -12.699 -0.311 1.00 0.00 C ATOM 1707 CE LYS A 106 7.829 -13.798 0.652 1.00 0.00 C ATOM 1708 NZ LYS A 106 8.829 -14.676 0.003 1.00 0.00 N ATOM 0 H LYS A 106 4.478 -11.635 -4.194 1.00 0.00 H new ATOM 0 HA LYS A 106 4.021 -11.376 -1.364 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.259 -13.200 -2.764 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.635 -12.125 -2.610 1.00 0.00 H new ATOM 0 HG2 LYS A 106 5.260 -12.379 -0.042 1.00 0.00 H new ATOM 0 HG3 LYS A 106 5.665 -13.963 -0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.016 -12.697 -1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.486 -11.725 0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.257 -13.350 1.549 1.00 0.00 H new ATOM 0 HE3 LYS A 106 6.970 -14.388 0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.126 -15.416 0.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 8.409 -15.118 -0.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.656 -14.112 -0.278 1.00 0.00 H new ATOM 1722 N GLU A 107 6.269 -9.435 -2.778 1.00 0.00 N ATOM 1723 CA GLU A 107 6.999 -8.189 -2.610 1.00 0.00 C ATOM 1724 C GLU A 107 6.045 -6.997 -2.709 1.00 0.00 C ATOM 1725 O GLU A 107 6.138 -6.056 -1.922 1.00 0.00 O ATOM 1726 CB GLU A 107 8.128 -8.074 -3.636 1.00 0.00 C ATOM 1727 CG GLU A 107 9.438 -8.630 -3.073 1.00 0.00 C ATOM 1728 CD GLU A 107 10.645 -8.015 -3.785 1.00 0.00 C ATOM 1729 OE1 GLU A 107 10.498 -7.706 -4.987 1.00 0.00 O ATOM 1730 OE2 GLU A 107 11.688 -7.869 -3.111 1.00 0.00 O ATOM 0 H GLU A 107 6.454 -9.923 -3.654 1.00 0.00 H new ATOM 0 HA GLU A 107 7.451 -8.186 -1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.858 -8.617 -4.542 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.263 -7.030 -3.918 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.496 -8.422 -2.005 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.457 -9.714 -3.188 1.00 0.00 H new ATOM 1737 N PHE A 108 5.148 -7.077 -3.682 1.00 0.00 N ATOM 1738 CA PHE A 108 4.178 -6.016 -3.893 1.00 0.00 C ATOM 1739 C PHE A 108 3.473 -5.649 -2.586 1.00 0.00 C ATOM 1740 O PHE A 108 3.277 -4.471 -2.292 1.00 0.00 O ATOM 1741 CB PHE A 108 3.142 -6.549 -4.885 1.00 0.00 C ATOM 1742 CG PHE A 108 1.800 -5.815 -4.838 1.00 0.00 C ATOM 1743 CD1 PHE A 108 1.769 -4.456 -4.809 1.00 0.00 C ATOM 1744 CD2 PHE A 108 0.639 -6.522 -4.825 1.00 0.00 C ATOM 1745 CE1 PHE A 108 0.524 -3.774 -4.765 1.00 0.00 C ATOM 1746 CE2 PHE A 108 -0.607 -5.841 -4.781 1.00 0.00 C ATOM 1747 CZ PHE A 108 -0.637 -4.481 -4.752 1.00 0.00 C ATOM 0 H PHE A 108 5.073 -7.859 -4.332 1.00 0.00 H new ATOM 0 HA PHE A 108 4.679 -5.123 -4.267 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.549 -6.477 -5.894 1.00 0.00 H new ATOM 0 HB3 PHE A 108 2.973 -7.607 -4.685 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.692 -3.895 -4.819 1.00 0.00 H new ATOM 0 HD2 PHE A 108 0.664 -7.601 -4.848 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.500 -2.695 -4.742 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.530 -6.402 -4.771 1.00 0.00 H new ATOM 0 HZ PHE A 108 -1.584 -3.963 -4.719 1.00 0.00 H new ATOM 1757 N LEU A 109 3.112 -6.679 -1.836 1.00 0.00 N ATOM 1758 CA LEU A 109 2.433 -6.480 -0.567 1.00 0.00 C ATOM 1759 C LEU A 109 3.460 -6.095 0.501 1.00 0.00 C ATOM 1760 O LEU A 109 3.183 -5.259 1.359 1.00 0.00 O ATOM 1761 CB LEU A 109 1.602 -7.712 -0.204 1.00 0.00 C ATOM 1762 CG LEU A 109 0.213 -7.795 -0.841 1.00 0.00 C ATOM 1763 CD1 LEU A 109 -0.538 -6.470 -0.693 1.00 0.00 C ATOM 1764 CD2 LEU A 109 0.305 -8.243 -2.301 1.00 0.00 C ATOM 0 H LEU A 109 3.277 -7.655 -2.083 1.00 0.00 H new ATOM 0 HA LEU A 109 1.723 -5.656 -0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.164 -8.602 -0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.486 -7.741 0.879 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.363 -8.552 -0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.522 -6.556 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.652 -6.233 0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.025 -5.676 -1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.696 -8.294 -2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.905 -7.528 -2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.771 -9.227 -2.351 1.00 0.00 H new ATOM 1776 N GLU A 110 4.622 -6.724 0.412 1.00 0.00 N ATOM 1777 CA GLU A 110 5.691 -6.457 1.359 1.00 0.00 C ATOM 1778 C GLU A 110 6.116 -4.990 1.281 1.00 0.00 C ATOM 1779 O GLU A 110 6.543 -4.409 2.278 1.00 0.00 O ATOM 1780 CB GLU A 110 6.883 -7.387 1.117 1.00 0.00 C ATOM 1781 CG GLU A 110 7.835 -7.380 2.314 1.00 0.00 C ATOM 1782 CD GLU A 110 9.260 -7.735 1.884 1.00 0.00 C ATOM 1783 OE1 GLU A 110 9.492 -8.936 1.626 1.00 0.00 O ATOM 1784 OE2 GLU A 110 10.084 -6.797 1.821 1.00 0.00 O ATOM 0 H GLU A 110 4.847 -7.418 -0.301 1.00 0.00 H new ATOM 0 HA GLU A 110 5.317 -6.653 2.364 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.527 -8.401 0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.418 -7.073 0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.827 -6.396 2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.489 -8.093 3.062 1.00 0.00 H new ATOM 1791 N ARG A 111 5.985 -4.431 0.087 1.00 0.00 N ATOM 1792 CA ARG A 111 6.350 -3.042 -0.134 1.00 0.00 C ATOM 1793 C ARG A 111 5.189 -2.121 0.246 1.00 0.00 C ATOM 1794 O ARG A 111 5.392 -1.098 0.899 1.00 0.00 O ATOM 1795 CB ARG A 111 6.727 -2.798 -1.597 1.00 0.00 C ATOM 1796 CG ARG A 111 8.226 -2.526 -1.739 1.00 0.00 C ATOM 1797 CD ARG A 111 8.487 -1.056 -2.076 1.00 0.00 C ATOM 1798 NE ARG A 111 8.538 -0.254 -0.833 1.00 0.00 N ATOM 1799 CZ ARG A 111 9.493 -0.375 0.100 1.00 0.00 C ATOM 1800 NH1 ARG A 111 10.480 -1.266 -0.063 1.00 0.00 N ATOM 1801 NH2 ARG A 111 9.459 0.396 1.196 1.00 0.00 N ATOM 0 H ARG A 111 5.631 -4.915 -0.738 1.00 0.00 H new ATOM 0 HA ARG A 111 7.213 -2.822 0.494 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.453 -3.666 -2.197 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.162 -1.951 -1.986 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.736 -2.786 -0.811 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.642 -3.161 -2.521 1.00 0.00 H new ATOM 0 HD2 ARG A 111 9.427 -0.960 -2.619 1.00 0.00 H new ATOM 0 HD3 ARG A 111 7.701 -0.679 -2.730 1.00 0.00 H new ATOM 0 HE ARG A 111 7.801 0.433 -0.677 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.505 -1.853 -0.897 1.00 0.00 H new ATOM 0 HH12 ARG A 111 11.207 -1.358 0.647 1.00 0.00 H new ATOM 0 HH21 ARG A 111 8.707 1.074 1.320 1.00 0.00 H new ATOM 0 HH22 ARG A 111 10.185 0.305 1.906 1.00 0.00 H new ATOM 1815 N PHE A 112 3.998 -2.517 -0.177 1.00 0.00 N ATOM 1816 CA PHE A 112 2.804 -1.740 0.112 1.00 0.00 C ATOM 1817 C PHE A 112 2.661 -1.493 1.615 1.00 0.00 C ATOM 1818 O PHE A 112 2.669 -0.347 2.062 1.00 0.00 O ATOM 1819 CB PHE A 112 1.608 -2.561 -0.374 1.00 0.00 C ATOM 1820 CG PHE A 112 0.367 -1.724 -0.690 1.00 0.00 C ATOM 1821 CD1 PHE A 112 0.158 -0.546 -0.043 1.00 0.00 C ATOM 1822 CD2 PHE A 112 -0.528 -2.158 -1.617 1.00 0.00 C ATOM 1823 CE1 PHE A 112 -0.994 0.231 -0.336 1.00 0.00 C ATOM 1824 CE2 PHE A 112 -1.680 -1.382 -1.910 1.00 0.00 C ATOM 1825 CZ PHE A 112 -1.889 -0.203 -1.263 1.00 0.00 C ATOM 0 H PHE A 112 3.834 -3.366 -0.718 1.00 0.00 H new ATOM 0 HA PHE A 112 2.861 -0.771 -0.384 1.00 0.00 H new ATOM 0 HB2 PHE A 112 1.898 -3.113 -1.268 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.353 -3.298 0.387 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.868 -0.201 0.694 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.362 -3.094 -2.131 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -1.159 1.167 0.177 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.391 -1.727 -2.646 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.765 0.388 -1.486 1.00 0.00 H new ATOM 1835 N LYS A 113 2.535 -2.586 2.353 1.00 0.00 N ATOM 1836 CA LYS A 113 2.390 -2.502 3.796 1.00 0.00 C ATOM 1837 C LYS A 113 3.502 -1.618 4.365 1.00 0.00 C ATOM 1838 O LYS A 113 3.240 -0.723 5.166 1.00 0.00 O ATOM 1839 CB LYS A 113 2.341 -3.901 4.412 1.00 0.00 C ATOM 1840 CG LYS A 113 2.373 -3.829 5.940 1.00 0.00 C ATOM 1841 CD LYS A 113 3.349 -4.857 6.517 1.00 0.00 C ATOM 1842 CE LYS A 113 2.632 -5.823 7.463 1.00 0.00 C ATOM 1843 NZ LYS A 113 3.509 -6.181 8.600 1.00 0.00 N ATOM 0 H LYS A 113 2.530 -3.535 1.978 1.00 0.00 H new ATOM 0 HA LYS A 113 1.442 -2.031 4.057 1.00 0.00 H new ATOM 0 HB2 LYS A 113 1.435 -4.414 4.087 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.186 -4.489 4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 113 2.666 -2.827 6.254 1.00 0.00 H new ATOM 0 HG3 LYS A 113 1.374 -4.008 6.337 1.00 0.00 H new ATOM 0 HD2 LYS A 113 3.816 -5.416 5.706 1.00 0.00 H new ATOM 0 HD3 LYS A 113 4.148 -4.344 7.052 1.00 0.00 H new ATOM 0 HE2 LYS A 113 1.715 -5.365 7.834 1.00 0.00 H new ATOM 0 HE3 LYS A 113 2.342 -6.724 6.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 3.007 -6.837 9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 4.372 -6.637 8.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 3.764 -5.321 9.126 1.00 0.00 H new ATOM 1857 N SER A 114 4.721 -1.901 3.928 1.00 0.00 N ATOM 1858 CA SER A 114 5.874 -1.143 4.383 1.00 0.00 C ATOM 1859 C SER A 114 5.703 0.335 4.026 1.00 0.00 C ATOM 1860 O SER A 114 5.645 1.189 4.910 1.00 0.00 O ATOM 1861 CB SER A 114 7.167 -1.690 3.776 1.00 0.00 C ATOM 1862 OG SER A 114 8.306 -0.932 4.176 1.00 0.00 O ATOM 0 H SER A 114 4.935 -2.645 3.264 1.00 0.00 H new ATOM 0 HA SER A 114 5.943 -1.242 5.466 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.298 -2.729 4.078 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.089 -1.682 2.689 1.00 0.00 H new ATOM 0 HG SER A 114 9.112 -1.313 3.769 1.00 0.00 H new ATOM 1868 N LEU A 115 5.628 0.592 2.728 1.00 0.00 N ATOM 1869 CA LEU A 115 5.465 1.952 2.243 1.00 0.00 C ATOM 1870 C LEU A 115 4.471 2.693 3.139 1.00 0.00 C ATOM 1871 O LEU A 115 4.657 3.872 3.437 1.00 0.00 O ATOM 1872 CB LEU A 115 5.076 1.950 0.763 1.00 0.00 C ATOM 1873 CG LEU A 115 5.249 3.278 0.023 1.00 0.00 C ATOM 1874 CD1 LEU A 115 4.323 4.351 0.598 1.00 0.00 C ATOM 1875 CD2 LEU A 115 6.713 3.722 0.027 1.00 0.00 C ATOM 0 H LEU A 115 5.677 -0.118 1.998 1.00 0.00 H new ATOM 0 HA LEU A 115 6.410 2.492 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.670 1.192 0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.033 1.645 0.682 1.00 0.00 H new ATOM 0 HG LEU A 115 4.961 3.129 -1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.466 5.285 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.287 4.028 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.555 4.506 1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.808 4.668 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.052 3.849 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.324 2.966 -0.466 1.00 0.00 H new ATOM 1887 N LEU A 116 3.436 1.971 3.544 1.00 0.00 N ATOM 1888 CA LEU A 116 2.412 2.546 4.400 1.00 0.00 C ATOM 1889 C LEU A 116 3.033 2.929 5.744 1.00 0.00 C ATOM 1890 O LEU A 116 3.101 4.108 6.087 1.00 0.00 O ATOM 1891 CB LEU A 116 1.220 1.594 4.522 1.00 0.00 C ATOM 1892 CG LEU A 116 0.506 1.241 3.215 1.00 0.00 C ATOM 1893 CD1 LEU A 116 -0.045 -0.185 3.259 1.00 0.00 C ATOM 1894 CD2 LEU A 116 -0.582 2.267 2.891 1.00 0.00 C ATOM 0 H LEU A 116 3.285 0.993 3.295 1.00 0.00 H new ATOM 0 HA LEU A 116 2.016 3.461 3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.565 0.670 4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.493 2.039 5.201 1.00 0.00 H new ATOM 0 HG LEU A 116 1.235 1.279 2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.547 -0.410 2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.775 -0.887 3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.756 -0.275 4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.074 1.993 1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.316 2.285 3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.132 3.254 2.788 1.00 0.00 H new ATOM 1906 N GLN A 117 3.470 1.910 6.470 1.00 0.00 N ATOM 1907 CA GLN A 117 4.084 2.126 7.769 1.00 0.00 C ATOM 1908 C GLN A 117 5.366 2.947 7.621 1.00 0.00 C ATOM 1909 O GLN A 117 5.971 3.344 8.616 1.00 0.00 O ATOM 1910 CB GLN A 117 4.362 0.795 8.471 1.00 0.00 C ATOM 1911 CG GLN A 117 5.377 -0.038 7.685 1.00 0.00 C ATOM 1912 CD GLN A 117 6.348 -0.751 8.628 1.00 0.00 C ATOM 1913 OE1 GLN A 117 6.061 -1.801 9.179 1.00 0.00 O ATOM 1914 NE2 GLN A 117 7.511 -0.125 8.782 1.00 0.00 N ATOM 0 H GLN A 117 3.411 0.933 6.183 1.00 0.00 H new ATOM 0 HA GLN A 117 3.387 2.688 8.390 1.00 0.00 H new ATOM 0 HB2 GLN A 117 4.740 0.982 9.476 1.00 0.00 H new ATOM 0 HB3 GLN A 117 3.433 0.236 8.579 1.00 0.00 H new ATOM 0 HG2 GLN A 117 4.854 -0.772 7.073 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.933 0.607 7.004 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.687 0.752 8.291 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.227 -0.521 9.391 1.00 0.00 H new ATOM 1923 N LYS A 118 5.743 3.177 6.372 1.00 0.00 N ATOM 1924 CA LYS A 118 6.942 3.943 6.081 1.00 0.00 C ATOM 1925 C LYS A 118 6.603 5.435 6.086 1.00 0.00 C ATOM 1926 O LYS A 118 7.035 6.171 6.972 1.00 0.00 O ATOM 1927 CB LYS A 118 7.582 3.463 4.777 1.00 0.00 C ATOM 1928 CG LYS A 118 9.059 3.856 4.714 1.00 0.00 C ATOM 1929 CD LYS A 118 9.958 2.670 5.070 1.00 0.00 C ATOM 1930 CE LYS A 118 11.382 3.135 5.380 1.00 0.00 C ATOM 1931 NZ LYS A 118 11.926 2.399 6.543 1.00 0.00 N ATOM 0 H LYS A 118 5.239 2.846 5.550 1.00 0.00 H new ATOM 0 HA LYS A 118 7.692 3.783 6.855 1.00 0.00 H new ATOM 0 HB2 LYS A 118 7.486 2.380 4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 118 7.051 3.893 3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 118 9.302 4.213 3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 118 9.249 4.680 5.401 1.00 0.00 H new ATOM 0 HD2 LYS A 118 9.548 2.144 5.932 1.00 0.00 H new ATOM 0 HD3 LYS A 118 9.975 1.961 4.242 1.00 0.00 H new ATOM 0 HE2 LYS A 118 12.020 2.976 4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 118 11.385 4.205 5.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 12.893 2.727 6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 11.326 2.572 7.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 11.942 1.381 6.333 1.00 0.00 H new ATOM 1945 N MET A 119 5.831 5.837 5.087 1.00 0.00 N ATOM 1946 CA MET A 119 5.428 7.228 4.965 1.00 0.00 C ATOM 1947 C MET A 119 4.083 7.472 5.652 1.00 0.00 C ATOM 1948 O MET A 119 4.006 8.218 6.627 1.00 0.00 O ATOM 1949 CB MET A 119 5.321 7.601 3.485 1.00 0.00 C ATOM 1950 CG MET A 119 6.169 8.835 3.168 1.00 0.00 C ATOM 1951 SD MET A 119 5.321 10.312 3.700 1.00 0.00 S ATOM 1952 CE MET A 119 6.626 11.103 4.626 1.00 0.00 C ATOM 0 H MET A 119 5.474 5.224 4.354 1.00 0.00 H new ATOM 0 HA MET A 119 6.181 7.848 5.452 1.00 0.00 H new ATOM 0 HB2 MET A 119 5.649 6.763 2.870 1.00 0.00 H new ATOM 0 HB3 MET A 119 4.279 7.796 3.230 1.00 0.00 H new ATOM 0 HG2 MET A 119 7.135 8.761 3.667 1.00 0.00 H new ATOM 0 HG3 MET A 119 6.367 8.885 2.097 1.00 0.00 H new ATOM 0 HE1 MET A 119 6.503 12.185 4.577 1.00 0.00 H new ATOM 0 HE2 MET A 119 6.582 10.779 5.666 1.00 0.00 H new ATOM 0 HE3 MET A 119 7.592 10.828 4.201 1.00 0.00 H new ATOM 1962 N ILE A 120 3.056 6.828 5.117 1.00 0.00 N ATOM 1963 CA ILE A 120 1.718 6.965 5.666 1.00 0.00 C ATOM 1964 C ILE A 120 1.805 7.067 7.190 1.00 0.00 C ATOM 1965 O ILE A 120 1.379 8.062 7.774 1.00 0.00 O ATOM 1966 CB ILE A 120 0.819 5.828 5.176 1.00 0.00 C ATOM 1967 CG1 ILE A 120 0.275 6.123 3.777 1.00 0.00 C ATOM 1968 CG2 ILE A 120 -0.302 5.545 6.178 1.00 0.00 C ATOM 1969 CD1 ILE A 120 1.358 6.737 2.886 1.00 0.00 C ATOM 0 H ILE A 120 3.124 6.210 4.309 1.00 0.00 H new ATOM 0 HA ILE A 120 1.252 7.884 5.311 1.00 0.00 H new ATOM 0 HB ILE A 120 1.422 4.923 5.103 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -0.094 5.203 3.325 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -0.572 6.805 3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -0.926 4.733 5.806 1.00 0.00 H new ATOM 0 HG22 ILE A 120 0.131 5.260 7.137 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -0.910 6.441 6.306 1.00 0.00 H new ATOM 0 HD11 ILE A 120 0.945 6.937 1.897 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.708 7.670 3.329 1.00 0.00 H new ATOM 0 HD13 ILE A 120 2.193 6.042 2.797 1.00 0.00 H new ATOM 1981 N HIS A 121 2.360 6.025 7.790 1.00 0.00 N ATOM 1982 CA HIS A 121 2.508 5.985 9.235 1.00 0.00 C ATOM 1983 C HIS A 121 2.915 7.368 9.748 1.00 0.00 C ATOM 1984 O HIS A 121 2.287 7.906 10.658 1.00 0.00 O ATOM 1985 CB HIS A 121 3.489 4.886 9.651 1.00 0.00 C ATOM 1986 CG HIS A 121 2.851 3.750 10.414 1.00 0.00 C ATOM 1987 ND1 HIS A 121 3.466 3.130 11.487 1.00 0.00 N ATOM 1988 CD2 HIS A 121 1.647 3.131 10.250 1.00 0.00 C ATOM 1989 CE1 HIS A 121 2.660 2.180 11.940 1.00 0.00 C ATOM 1990 NE2 HIS A 121 1.534 2.182 11.172 1.00 0.00 N ATOM 0 H HIS A 121 2.713 5.202 7.302 1.00 0.00 H new ATOM 0 HA HIS A 121 1.553 5.732 9.695 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.970 4.486 8.759 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.274 5.327 10.265 1.00 0.00 H new ATOM 0 HD2 HIS A 121 0.910 3.372 9.498 1.00 0.00 H new ATOM 0 HE1 HIS A 121 2.860 1.520 12.771 1.00 0.00 H new ATOM 0 HE2 HIS A 121 0.736 1.557 11.287 1.00 0.00 H new ATOM 1998 N GLN A 122 3.964 7.903 9.141 1.00 0.00 N ATOM 1999 CA GLN A 122 4.462 9.213 9.525 1.00 0.00 C ATOM 2000 C GLN A 122 3.298 10.145 9.866 1.00 0.00 C ATOM 2001 O GLN A 122 3.421 11.005 10.736 1.00 0.00 O ATOM 2002 CB GLN A 122 5.338 9.811 8.422 1.00 0.00 C ATOM 2003 CG GLN A 122 6.421 8.823 7.986 1.00 0.00 C ATOM 2004 CD GLN A 122 7.123 8.208 9.198 1.00 0.00 C ATOM 2005 OE1 GLN A 122 6.600 7.338 9.876 1.00 0.00 O ATOM 2006 NE2 GLN A 122 8.334 8.706 9.433 1.00 0.00 N ATOM 0 H GLN A 122 4.483 7.454 8.386 1.00 0.00 H new ATOM 0 HA GLN A 122 5.082 9.098 10.414 1.00 0.00 H new ATOM 0 HB2 GLN A 122 4.719 10.078 7.566 1.00 0.00 H new ATOM 0 HB3 GLN A 122 5.802 10.730 8.779 1.00 0.00 H new ATOM 0 HG2 GLN A 122 5.976 8.034 7.380 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.152 9.333 7.358 1.00 0.00 H new ATOM 0 HE21 GLN A 122 8.713 9.433 8.826 1.00 0.00 H new ATOM 0 HE22 GLN A 122 8.884 8.361 10.220 1.00 0.00 H new