USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 592 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 67 THR OG1 : rot 121:sc= 0.306 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0.0141 USER MOD Set 1.3: A 70 SER OG : rot 78:sc= 0.132 USER MOD Single : A 12 HIS : no HE2:sc= 0.00311 K(o=0.0031,f=-0.52) USER MOD Single : A 14 ASN : amide:sc= 0.707 K(o=0.71,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.0724 X(o=-0.072,f=-0.072) USER MOD Single : A 22 ASN : amide:sc= 0.514 K(o=0.51,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0716) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.835 X(o=-0.83,f=-0.38) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 148:sc= -0.0381 (180deg=-0.925) USER MOD Single : A 40 ASN : amide:sc= -0.0772 X(o=-0.077,f=-0.49) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 74:sc= 0.16 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 177:sc= 0 (180deg=-0.0173) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.0351 X(o=-0.035,f=-0.12) USER MOD Single : A 73 MET CE :methyl -172:sc= 0 (180deg=-0.0946) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 84 GLN : amide:sc= -0.0493 X(o=-0.049,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N GLU A 11 13.964 -11.280 -6.210 1.00 0.00 N ATOM 146 CA GLU A 11 13.876 -10.931 -4.796 1.00 0.00 C ATOM 147 C GLU A 11 12.754 -9.950 -4.432 1.00 0.00 C ATOM 148 O GLU A 11 12.971 -8.813 -4.004 1.00 0.00 O ATOM 149 CB GLU A 11 15.267 -10.510 -4.245 1.00 0.00 C ATOM 150 CG GLU A 11 15.390 -10.539 -2.697 1.00 0.00 C ATOM 151 CD GLU A 11 15.326 -11.922 -2.068 1.00 0.00 C ATOM 152 OE1 GLU A 11 15.385 -12.953 -2.784 1.00 0.00 O ATOM 153 OE2 GLU A 11 15.258 -11.974 -0.814 1.00 0.00 O ATOM 0 HA GLU A 11 13.572 -11.843 -4.283 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.025 -11.170 -4.668 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.491 -9.502 -4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.334 -10.072 -2.415 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.593 -9.928 -2.274 1.00 0.00 H new ATOM 160 N HIS A 12 11.496 -10.388 -4.623 1.00 0.00 N ATOM 161 CA HIS A 12 10.343 -9.513 -4.499 1.00 0.00 C ATOM 162 C HIS A 12 9.153 -10.150 -3.800 1.00 0.00 C ATOM 163 O HIS A 12 8.905 -11.352 -3.890 1.00 0.00 O ATOM 164 CB HIS A 12 9.918 -8.958 -5.888 1.00 0.00 C ATOM 165 CG HIS A 12 9.699 -9.993 -6.956 1.00 0.00 C ATOM 166 ND1 HIS A 12 8.770 -11.006 -6.880 1.00 0.00 N ATOM 167 CD2 HIS A 12 10.286 -10.114 -8.176 1.00 0.00 C ATOM 168 CE1 HIS A 12 8.829 -11.686 -8.048 1.00 0.00 C ATOM 169 NE2 HIS A 12 9.732 -11.180 -8.874 1.00 0.00 N ATOM 0 H HIS A 12 11.264 -11.351 -4.865 1.00 0.00 H new ATOM 0 HA HIS A 12 10.667 -8.693 -3.859 1.00 0.00 H new ATOM 0 HB2 HIS A 12 8.998 -8.386 -5.766 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.683 -8.262 -6.232 1.00 0.00 H new ATOM 0 HD1 HIS A 12 8.154 -11.206 -6.092 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.071 -9.473 -8.549 1.00 0.00 H new ATOM 0 HE1 HIS A 12 8.212 -12.541 -8.280 1.00 0.00 H new ATOM 177 N ILE A 13 8.375 -9.321 -3.087 1.00 0.00 N ATOM 178 CA ILE A 13 7.213 -9.709 -2.307 1.00 0.00 C ATOM 179 C ILE A 13 5.932 -9.334 -3.044 1.00 0.00 C ATOM 180 O ILE A 13 5.967 -8.636 -4.060 1.00 0.00 O ATOM 181 CB ILE A 13 7.237 -9.071 -0.915 1.00 0.00 C ATOM 182 CG1 ILE A 13 7.299 -7.526 -0.980 1.00 0.00 C ATOM 183 CG2 ILE A 13 8.440 -9.663 -0.149 1.00 0.00 C ATOM 184 CD1 ILE A 13 7.158 -6.845 0.386 1.00 0.00 C ATOM 0 H ILE A 13 8.556 -8.318 -3.043 1.00 0.00 H new ATOM 0 HA ILE A 13 7.241 -10.791 -2.177 1.00 0.00 H new ATOM 0 HB ILE A 13 6.310 -9.300 -0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.247 -7.228 -1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.508 -7.167 -1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.486 -9.228 0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.324 -10.744 -0.069 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.361 -9.436 -0.686 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.211 -5.764 0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.198 -7.112 0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.964 -7.174 1.042 1.00 0.00 H new ATOM 196 N ASN A 14 4.762 -9.791 -2.554 1.00 0.00 N ATOM 197 CA ASN A 14 3.475 -9.441 -3.131 1.00 0.00 C ATOM 198 C ASN A 14 2.568 -8.798 -2.098 1.00 0.00 C ATOM 199 O ASN A 14 2.409 -9.286 -0.979 1.00 0.00 O ATOM 200 CB ASN A 14 2.741 -10.667 -3.742 1.00 0.00 C ATOM 201 CG ASN A 14 3.357 -11.071 -5.074 1.00 0.00 C ATOM 202 OD1 ASN A 14 3.848 -12.165 -5.279 1.00 0.00 O ATOM 203 ND2 ASN A 14 3.287 -10.135 -6.061 1.00 0.00 N ATOM 0 H ASN A 14 4.697 -10.412 -1.747 1.00 0.00 H new ATOM 0 HA ASN A 14 3.690 -8.733 -3.931 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.788 -11.506 -3.047 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.687 -10.429 -3.883 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.650 -10.346 -6.991 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.872 -9.223 -5.870 1.00 0.00 H new ATOM 210 N LEU A 15 1.936 -7.683 -2.500 1.00 0.00 N ATOM 211 CA LEU A 15 0.944 -6.976 -1.709 1.00 0.00 C ATOM 212 C LEU A 15 -0.387 -7.172 -2.400 1.00 0.00 C ATOM 213 O LEU A 15 -0.496 -6.965 -3.612 1.00 0.00 O ATOM 214 CB LEU A 15 1.193 -5.442 -1.589 1.00 0.00 C ATOM 215 CG LEU A 15 2.587 -4.955 -1.130 1.00 0.00 C ATOM 216 CD1 LEU A 15 3.110 -5.682 0.116 1.00 0.00 C ATOM 217 CD2 LEU A 15 3.634 -4.951 -2.255 1.00 0.00 C ATOM 0 H LEU A 15 2.112 -7.247 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 15 0.985 -7.379 -0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.990 -4.996 -2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.456 -5.040 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 15 2.428 -3.916 -0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.092 -5.290 0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.420 -5.525 0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.190 -6.749 -0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.588 -4.598 -1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.753 -5.962 -2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.304 -4.290 -3.056 1.00 0.00 H new ATOM 229 N LYS A 16 -1.441 -7.577 -1.673 1.00 0.00 N ATOM 230 CA LYS A 16 -2.766 -7.722 -2.243 1.00 0.00 C ATOM 231 C LYS A 16 -3.691 -6.708 -1.611 1.00 0.00 C ATOM 232 O LYS A 16 -4.018 -6.803 -0.435 1.00 0.00 O ATOM 233 CB LYS A 16 -3.357 -9.128 -1.997 1.00 0.00 C ATOM 234 CG LYS A 16 -2.535 -10.273 -2.600 1.00 0.00 C ATOM 235 CD LYS A 16 -3.199 -11.619 -2.286 1.00 0.00 C ATOM 236 CE LYS A 16 -2.397 -12.845 -2.710 1.00 0.00 C ATOM 237 NZ LYS A 16 -3.154 -14.052 -2.338 1.00 0.00 N ATOM 0 H LYS A 16 -1.387 -7.809 -0.681 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.677 -7.568 -3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.448 -9.288 -0.923 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.365 -9.163 -2.411 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.452 -10.142 -3.679 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.522 -10.255 -2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.382 -11.676 -1.213 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.171 -11.651 -2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.218 -12.827 -3.785 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.421 -12.846 -2.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.619 -14.898 -2.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.303 -14.065 -1.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.075 -14.047 -2.821 1.00 0.00 H new ATOM 251 N VAL A 17 -4.139 -5.700 -2.375 1.00 0.00 N ATOM 252 CA VAL A 17 -4.976 -4.644 -1.849 1.00 0.00 C ATOM 253 C VAL A 17 -6.439 -4.985 -2.075 1.00 0.00 C ATOM 254 O VAL A 17 -6.929 -4.998 -3.207 1.00 0.00 O ATOM 255 CB VAL A 17 -4.629 -3.292 -2.460 1.00 0.00 C ATOM 256 CG1 VAL A 17 -5.483 -2.186 -1.811 1.00 0.00 C ATOM 257 CG2 VAL A 17 -3.131 -3.010 -2.213 1.00 0.00 C ATOM 0 H VAL A 17 -3.925 -5.606 -3.368 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.792 -4.565 -0.778 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.834 -3.306 -3.530 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.229 -1.223 -2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.539 -2.395 -1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.286 -2.156 -0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.866 -2.045 -2.645 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.936 -2.994 -1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.532 -3.792 -2.679 1.00 0.00 H new ATOM 267 N LEU A 18 -7.181 -5.292 -0.995 1.00 0.00 N ATOM 268 CA LEU A 18 -8.578 -5.689 -1.058 1.00 0.00 C ATOM 269 C LEU A 18 -9.495 -4.476 -1.026 1.00 0.00 C ATOM 270 O LEU A 18 -9.490 -3.688 -0.081 1.00 0.00 O ATOM 271 CB LEU A 18 -8.988 -6.631 0.108 1.00 0.00 C ATOM 272 CG LEU A 18 -8.465 -8.085 0.036 1.00 0.00 C ATOM 273 CD1 LEU A 18 -6.968 -8.215 0.349 1.00 0.00 C ATOM 274 CD2 LEU A 18 -9.258 -8.965 1.012 1.00 0.00 C ATOM 0 H LEU A 18 -6.810 -5.267 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.687 -6.226 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.641 -6.189 1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.077 -6.662 0.155 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.605 -8.413 -0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.671 -9.262 0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.394 -7.627 -0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.774 -7.849 1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.889 -9.989 0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.135 -8.585 2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.314 -8.946 0.743 1.00 0.00 H new ATOM 286 N GLY A 19 -10.325 -4.278 -2.068 1.00 0.00 N ATOM 287 CA GLY A 19 -11.256 -3.160 -2.140 1.00 0.00 C ATOM 288 C GLY A 19 -12.579 -3.425 -1.474 1.00 0.00 C ATOM 289 O GLY A 19 -13.128 -4.523 -1.518 1.00 0.00 O ATOM 0 H GLY A 19 -10.361 -4.895 -2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.796 -2.287 -1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.430 -2.912 -3.187 1.00 0.00 H new ATOM 293 N GLN A 20 -13.159 -2.383 -0.855 1.00 0.00 N ATOM 294 CA GLN A 20 -14.432 -2.447 -0.166 1.00 0.00 C ATOM 295 C GLN A 20 -15.626 -2.654 -1.102 1.00 0.00 C ATOM 296 O GLN A 20 -16.610 -3.293 -0.737 1.00 0.00 O ATOM 297 CB GLN A 20 -14.611 -1.193 0.730 1.00 0.00 C ATOM 298 CG GLN A 20 -15.766 -1.278 1.767 1.00 0.00 C ATOM 299 CD GLN A 20 -15.664 -2.483 2.707 1.00 0.00 C ATOM 300 OE1 GLN A 20 -16.593 -3.307 2.787 1.00 0.00 O ATOM 301 NE2 GLN A 20 -14.542 -2.622 3.434 1.00 0.00 N ATOM 0 H GLN A 20 -12.735 -1.456 -0.827 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.411 -3.336 0.465 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.678 -1.012 1.264 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.784 -0.329 0.088 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.776 -0.365 2.362 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -16.717 -1.323 1.236 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.793 -1.934 3.353 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.440 -3.415 4.067 1.00 0.00 H new ATOM 310 N ASP A 21 -15.562 -2.189 -2.370 1.00 0.00 N ATOM 311 CA ASP A 21 -16.452 -2.700 -3.402 1.00 0.00 C ATOM 312 C ASP A 21 -15.755 -3.821 -4.175 1.00 0.00 C ATOM 313 O ASP A 21 -15.458 -3.710 -5.366 1.00 0.00 O ATOM 314 CB ASP A 21 -17.023 -1.607 -4.341 1.00 0.00 C ATOM 315 CG ASP A 21 -18.107 -2.159 -5.261 1.00 0.00 C ATOM 316 OD1 ASP A 21 -18.905 -3.026 -4.816 1.00 0.00 O ATOM 317 OD2 ASP A 21 -18.153 -1.726 -6.442 1.00 0.00 O ATOM 0 H ASP A 21 -14.909 -1.472 -2.687 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.329 -3.106 -2.897 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -17.433 -0.793 -3.744 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -16.216 -1.186 -4.941 1.00 0.00 H new ATOM 322 N ASN A 22 -15.520 -4.948 -3.488 1.00 0.00 N ATOM 323 CA ASN A 22 -15.325 -6.270 -4.067 1.00 0.00 C ATOM 324 C ASN A 22 -13.992 -6.550 -4.762 1.00 0.00 C ATOM 325 O ASN A 22 -13.404 -7.610 -4.554 1.00 0.00 O ATOM 326 CB ASN A 22 -16.530 -6.664 -4.967 1.00 0.00 C ATOM 327 CG ASN A 22 -17.774 -6.739 -4.088 1.00 0.00 C ATOM 328 OD1 ASN A 22 -17.909 -7.662 -3.304 1.00 0.00 O ATOM 329 ND2 ASN A 22 -18.700 -5.746 -4.199 1.00 0.00 N ATOM 0 H ASN A 22 -15.459 -4.955 -2.470 1.00 0.00 H new ATOM 0 HA ASN A 22 -15.274 -6.918 -3.192 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -16.668 -5.930 -5.760 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.347 -7.624 -5.450 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -19.537 -5.761 -3.616 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -18.557 -4.987 -4.865 1.00 0.00 H new ATOM 336 N ALA A 23 -13.495 -5.648 -5.617 1.00 0.00 N ATOM 337 CA ALA A 23 -12.329 -5.879 -6.441 1.00 0.00 C ATOM 338 C ALA A 23 -10.996 -5.807 -5.694 1.00 0.00 C ATOM 339 O ALA A 23 -10.711 -4.881 -4.936 1.00 0.00 O ATOM 340 CB ALA A 23 -12.333 -4.885 -7.617 1.00 0.00 C ATOM 0 H ALA A 23 -13.908 -4.725 -5.749 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.405 -6.907 -6.796 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.456 -5.056 -8.241 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.235 -5.029 -8.212 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.311 -3.866 -7.232 1.00 0.00 H new ATOM 346 N VAL A 24 -10.135 -6.817 -5.909 1.00 0.00 N ATOM 347 CA VAL A 24 -8.809 -6.910 -5.318 1.00 0.00 C ATOM 348 C VAL A 24 -7.774 -6.532 -6.370 1.00 0.00 C ATOM 349 O VAL A 24 -7.884 -6.913 -7.535 1.00 0.00 O ATOM 350 CB VAL A 24 -8.539 -8.318 -4.776 1.00 0.00 C ATOM 351 CG1 VAL A 24 -7.180 -8.389 -4.050 1.00 0.00 C ATOM 352 CG2 VAL A 24 -9.671 -8.708 -3.804 1.00 0.00 C ATOM 0 H VAL A 24 -10.358 -7.606 -6.516 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.746 -6.222 -4.475 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.506 -9.013 -5.615 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.019 -9.401 -3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.382 -8.127 -4.745 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.177 -7.690 -3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.487 -9.709 -3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.703 -7.997 -2.979 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.625 -8.694 -4.332 1.00 0.00 H new ATOM 362 N VAL A 25 -6.734 -5.753 -5.999 1.00 0.00 N ATOM 363 CA VAL A 25 -5.654 -5.365 -6.900 1.00 0.00 C ATOM 364 C VAL A 25 -4.329 -5.823 -6.304 1.00 0.00 C ATOM 365 O VAL A 25 -4.020 -5.549 -5.148 1.00 0.00 O ATOM 366 CB VAL A 25 -5.614 -3.858 -7.165 1.00 0.00 C ATOM 367 CG1 VAL A 25 -4.511 -3.516 -8.184 1.00 0.00 C ATOM 368 CG2 VAL A 25 -6.982 -3.401 -7.708 1.00 0.00 C ATOM 0 H VAL A 25 -6.630 -5.379 -5.056 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.833 -5.846 -7.862 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.395 -3.340 -6.231 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.498 -2.440 -8.359 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.544 -3.831 -7.793 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.709 -4.034 -9.122 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.958 -2.328 -7.898 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.200 -3.929 -8.636 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.757 -3.622 -6.974 1.00 0.00 H new ATOM 378 N GLN A 26 -3.495 -6.549 -7.073 1.00 0.00 N ATOM 379 CA GLN A 26 -2.245 -7.097 -6.571 1.00 0.00 C ATOM 380 C GLN A 26 -1.024 -6.355 -7.101 1.00 0.00 C ATOM 381 O GLN A 26 -0.936 -6.012 -8.280 1.00 0.00 O ATOM 382 CB GLN A 26 -2.144 -8.600 -6.919 1.00 0.00 C ATOM 383 CG GLN A 26 -0.905 -9.297 -6.311 1.00 0.00 C ATOM 384 CD GLN A 26 -0.918 -10.806 -6.527 1.00 0.00 C ATOM 385 OE1 GLN A 26 -0.833 -11.583 -5.580 1.00 0.00 O ATOM 386 NE2 GLN A 26 -1.002 -11.235 -7.803 1.00 0.00 N ATOM 0 H GLN A 26 -3.678 -6.765 -8.053 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.253 -6.969 -5.489 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.043 -9.106 -6.568 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.117 -8.712 -8.003 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.002 -8.878 -6.755 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.862 -9.087 -5.242 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.071 -10.560 -8.564 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.996 -12.234 -8.006 1.00 0.00 H new ATOM 395 N PHE A 27 -0.033 -6.109 -6.224 1.00 0.00 N ATOM 396 CA PHE A 27 1.211 -5.429 -6.552 1.00 0.00 C ATOM 397 C PHE A 27 2.428 -6.304 -6.263 1.00 0.00 C ATOM 398 O PHE A 27 2.345 -7.383 -5.666 1.00 0.00 O ATOM 399 CB PHE A 27 1.344 -4.094 -5.772 1.00 0.00 C ATOM 400 CG PHE A 27 0.217 -3.168 -6.144 1.00 0.00 C ATOM 401 CD1 PHE A 27 0.179 -2.567 -7.416 1.00 0.00 C ATOM 402 CD2 PHE A 27 -0.824 -2.910 -5.241 1.00 0.00 C ATOM 403 CE1 PHE A 27 -0.881 -1.725 -7.776 1.00 0.00 C ATOM 404 CE2 PHE A 27 -1.882 -2.067 -5.596 1.00 0.00 C ATOM 405 CZ PHE A 27 -1.907 -1.468 -6.863 1.00 0.00 C ATOM 0 H PHE A 27 -0.087 -6.389 -5.245 1.00 0.00 H new ATOM 0 HA PHE A 27 1.178 -5.219 -7.621 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.329 -4.287 -4.699 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.301 -3.625 -5.998 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.975 -2.757 -8.121 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.809 -3.366 -4.262 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.905 -1.275 -8.758 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.680 -1.877 -4.894 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.718 -0.809 -7.133 1.00 0.00 H new ATOM 415 N LYS A 28 3.614 -5.857 -6.716 1.00 0.00 N ATOM 416 CA LYS A 28 4.852 -6.605 -6.664 1.00 0.00 C ATOM 417 C LYS A 28 6.000 -5.622 -6.487 1.00 0.00 C ATOM 418 O LYS A 28 6.129 -4.670 -7.253 1.00 0.00 O ATOM 419 CB LYS A 28 4.963 -7.419 -7.985 1.00 0.00 C ATOM 420 CG LYS A 28 6.296 -8.117 -8.288 1.00 0.00 C ATOM 421 CD LYS A 28 6.129 -9.204 -9.374 1.00 0.00 C ATOM 422 CE LYS A 28 7.249 -9.272 -10.424 1.00 0.00 C ATOM 423 NZ LYS A 28 7.031 -8.303 -11.511 1.00 0.00 N ATOM 0 H LYS A 28 3.724 -4.935 -7.139 1.00 0.00 H new ATOM 0 HA LYS A 28 4.884 -7.302 -5.826 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.182 -8.179 -7.976 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.743 -6.745 -8.813 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.028 -7.380 -8.618 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.688 -8.568 -7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.057 -10.174 -8.883 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.183 -9.036 -9.889 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.209 -9.075 -9.947 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.300 -10.279 -10.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.805 -8.376 -12.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.127 -8.507 -11.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.007 -7.340 -11.118 1.00 0.00 H new ATOM 437 N ILE A 29 6.847 -5.796 -5.449 1.00 0.00 N ATOM 438 CA ILE A 29 7.903 -4.835 -5.119 1.00 0.00 C ATOM 439 C ILE A 29 9.098 -5.577 -4.534 1.00 0.00 C ATOM 440 O ILE A 29 8.953 -6.672 -3.992 1.00 0.00 O ATOM 441 CB ILE A 29 7.400 -3.754 -4.148 1.00 0.00 C ATOM 442 CG1 ILE A 29 8.314 -2.506 -4.098 1.00 0.00 C ATOM 443 CG2 ILE A 29 7.152 -4.344 -2.743 1.00 0.00 C ATOM 444 CD1 ILE A 29 7.805 -1.415 -3.153 1.00 0.00 C ATOM 0 H ILE A 29 6.813 -6.602 -4.825 1.00 0.00 H new ATOM 0 HA ILE A 29 8.208 -4.326 -6.033 1.00 0.00 H new ATOM 0 HB ILE A 29 6.446 -3.402 -4.540 1.00 0.00 H new ATOM 0 HG12 ILE A 29 9.313 -2.809 -3.785 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.406 -2.092 -5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.797 -3.558 -2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.402 -5.132 -2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.082 -4.758 -2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.494 -0.570 -3.168 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.818 -1.084 -3.477 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.740 -1.812 -2.140 1.00 0.00 H new ATOM 456 N LYS A 30 10.331 -5.028 -4.617 1.00 0.00 N ATOM 457 CA LYS A 30 11.464 -5.582 -3.893 1.00 0.00 C ATOM 458 C LYS A 30 11.392 -5.234 -2.408 1.00 0.00 C ATOM 459 O LYS A 30 10.713 -4.312 -1.982 1.00 0.00 O ATOM 460 CB LYS A 30 12.842 -5.067 -4.397 1.00 0.00 C ATOM 461 CG LYS A 30 13.371 -5.699 -5.692 1.00 0.00 C ATOM 462 CD LYS A 30 14.901 -5.865 -5.589 1.00 0.00 C ATOM 463 CE LYS A 30 15.643 -6.190 -6.889 1.00 0.00 C ATOM 464 NZ LYS A 30 15.566 -5.037 -7.793 1.00 0.00 N ATOM 0 H LYS A 30 10.552 -4.206 -5.179 1.00 0.00 H new ATOM 0 HA LYS A 30 11.396 -6.656 -4.065 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.771 -3.990 -4.546 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.578 -5.232 -3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.899 -6.667 -5.857 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.118 -5.071 -6.546 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.317 -4.944 -5.180 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.110 -6.657 -4.870 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.685 -6.431 -6.676 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.203 -7.068 -7.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.192 -5.193 -8.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.587 -4.921 -8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.864 -4.179 -7.287 1.00 0.00 H new ATOM 478 N LYS A 31 12.165 -5.950 -1.578 1.00 0.00 N ATOM 479 CA LYS A 31 12.315 -5.631 -0.169 1.00 0.00 C ATOM 480 C LYS A 31 13.228 -4.426 0.095 1.00 0.00 C ATOM 481 O LYS A 31 13.271 -3.882 1.196 1.00 0.00 O ATOM 482 CB LYS A 31 12.869 -6.882 0.555 1.00 0.00 C ATOM 483 CG LYS A 31 14.273 -7.295 0.088 1.00 0.00 C ATOM 484 CD LYS A 31 14.676 -8.714 0.513 1.00 0.00 C ATOM 485 CE LYS A 31 14.851 -8.905 2.020 1.00 0.00 C ATOM 486 NZ LYS A 31 15.216 -10.300 2.264 1.00 0.00 N ATOM 0 H LYS A 31 12.700 -6.766 -1.875 1.00 0.00 H new ATOM 0 HA LYS A 31 11.333 -5.351 0.213 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.895 -6.689 1.627 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.184 -7.715 0.398 1.00 0.00 H new ATOM 0 HG2 LYS A 31 14.319 -7.225 -0.999 1.00 0.00 H new ATOM 0 HG3 LYS A 31 15.000 -6.587 0.485 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.920 -9.414 0.157 1.00 0.00 H new ATOM 0 HD3 LYS A 31 15.610 -8.976 0.017 1.00 0.00 H new ATOM 0 HE2 LYS A 31 15.624 -8.238 2.401 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.928 -8.656 2.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.340 -10.453 3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.462 -10.923 1.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 16.105 -10.518 1.771 1.00 0.00 H new ATOM 500 N HIS A 32 13.991 -4.000 -0.932 1.00 0.00 N ATOM 501 CA HIS A 32 14.952 -2.908 -0.869 1.00 0.00 C ATOM 502 C HIS A 32 14.381 -1.569 -1.303 1.00 0.00 C ATOM 503 O HIS A 32 14.941 -0.514 -1.013 1.00 0.00 O ATOM 504 CB HIS A 32 16.163 -3.212 -1.788 1.00 0.00 C ATOM 505 CG HIS A 32 16.754 -4.565 -1.496 1.00 0.00 C ATOM 506 ND1 HIS A 32 17.177 -5.454 -2.461 1.00 0.00 N ATOM 507 CD2 HIS A 32 16.998 -5.160 -0.300 1.00 0.00 C ATOM 508 CE1 HIS A 32 17.631 -6.554 -1.809 1.00 0.00 C ATOM 509 NE2 HIS A 32 17.542 -6.417 -0.494 1.00 0.00 N ATOM 0 H HIS A 32 13.944 -4.430 -1.856 1.00 0.00 H new ATOM 0 HA HIS A 32 15.242 -2.835 0.179 1.00 0.00 H new ATOM 0 HB2 HIS A 32 15.849 -3.169 -2.831 1.00 0.00 H new ATOM 0 HB3 HIS A 32 16.925 -2.444 -1.653 1.00 0.00 H new ATOM 0 HD2 HIS A 32 16.796 -4.716 0.664 1.00 0.00 H new ATOM 0 HE1 HIS A 32 18.018 -7.434 -2.302 1.00 0.00 H new ATOM 0 HE2 HIS A 32 17.815 -7.092 0.220 1.00 0.00 H new ATOM 517 N THR A 33 13.255 -1.569 -2.039 1.00 0.00 N ATOM 518 CA THR A 33 12.581 -0.348 -2.464 1.00 0.00 C ATOM 519 C THR A 33 11.367 -0.151 -1.565 1.00 0.00 C ATOM 520 O THR A 33 10.620 -1.109 -1.349 1.00 0.00 O ATOM 521 CB THR A 33 12.205 -0.310 -3.945 1.00 0.00 C ATOM 522 OG1 THR A 33 11.640 -1.528 -4.425 1.00 0.00 O ATOM 523 CG2 THR A 33 13.497 -0.110 -4.748 1.00 0.00 C ATOM 0 H THR A 33 12.793 -2.423 -2.352 1.00 0.00 H new ATOM 0 HA THR A 33 13.283 0.479 -2.358 1.00 0.00 H new ATOM 0 HB THR A 33 11.469 0.486 -4.061 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.421 -1.435 -5.376 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.263 -0.078 -5.812 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.968 0.827 -4.452 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.179 -0.937 -4.551 1.00 0.00 H new ATOM 531 N PRO A 34 11.129 0.998 -0.930 1.00 0.00 N ATOM 532 CA PRO A 34 10.206 1.053 0.199 1.00 0.00 C ATOM 533 C PRO A 34 8.754 1.129 -0.247 1.00 0.00 C ATOM 534 O PRO A 34 8.457 1.577 -1.355 1.00 0.00 O ATOM 535 CB PRO A 34 10.621 2.341 0.928 1.00 0.00 C ATOM 536 CG PRO A 34 11.192 3.234 -0.174 1.00 0.00 C ATOM 537 CD PRO A 34 11.916 2.227 -1.063 1.00 0.00 C ATOM 0 HA PRO A 34 10.261 0.160 0.821 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.769 2.812 1.419 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.363 2.139 1.700 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.408 3.765 -0.715 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.871 3.988 0.224 1.00 0.00 H new ATOM 0 HD2 PRO A 34 11.954 2.565 -2.098 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.946 2.077 -0.738 1.00 0.00 H new ATOM 545 N LEU A 35 7.817 0.735 0.640 1.00 0.00 N ATOM 546 CA LEU A 35 6.382 0.727 0.398 1.00 0.00 C ATOM 547 C LEU A 35 5.853 2.110 0.021 1.00 0.00 C ATOM 548 O LEU A 35 5.059 2.265 -0.907 1.00 0.00 O ATOM 549 CB LEU A 35 5.606 0.194 1.633 1.00 0.00 C ATOM 550 CG LEU A 35 5.820 -1.296 2.010 1.00 0.00 C ATOM 551 CD1 LEU A 35 5.553 -2.248 0.835 1.00 0.00 C ATOM 552 CD2 LEU A 35 7.179 -1.603 2.661 1.00 0.00 C ATOM 0 H LEU A 35 8.060 0.404 1.574 1.00 0.00 H new ATOM 0 HA LEU A 35 6.217 0.057 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.879 0.804 2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.542 0.350 1.457 1.00 0.00 H new ATOM 0 HG LEU A 35 5.069 -1.481 2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.718 -3.277 1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.522 -2.133 0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.229 -2.011 0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.241 -2.667 2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.981 -1.333 1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.280 -1.027 3.581 1.00 0.00 H new ATOM 564 N ARG A 36 6.350 3.167 0.701 1.00 0.00 N ATOM 565 CA ARG A 36 6.098 4.557 0.373 1.00 0.00 C ATOM 566 C ARG A 36 6.388 4.970 -1.065 1.00 0.00 C ATOM 567 O ARG A 36 5.670 5.780 -1.649 1.00 0.00 O ATOM 568 CB ARG A 36 6.884 5.488 1.324 1.00 0.00 C ATOM 569 CG ARG A 36 6.374 6.944 1.258 1.00 0.00 C ATOM 570 CD ARG A 36 6.772 7.791 2.462 1.00 0.00 C ATOM 571 NE ARG A 36 6.153 9.140 2.238 1.00 0.00 N ATOM 572 CZ ARG A 36 5.671 9.910 3.226 1.00 0.00 C ATOM 573 NH1 ARG A 36 5.351 9.416 4.416 1.00 0.00 N ATOM 574 NH2 ARG A 36 5.523 11.214 3.006 1.00 0.00 N ATOM 0 H ARG A 36 6.954 3.055 1.515 1.00 0.00 H new ATOM 0 HA ARG A 36 5.020 4.662 0.499 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.797 5.119 2.346 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.942 5.462 1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.759 7.413 0.352 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.287 6.935 1.175 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.412 7.345 3.389 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.856 7.867 2.545 1.00 0.00 H new ATOM 0 HE ARG A 36 6.095 9.491 1.282 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.469 8.420 4.603 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.987 10.032 5.143 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.774 11.610 2.100 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.158 11.817 3.743 1.00 0.00 H new ATOM 588 N LYS A 37 7.426 4.394 -1.710 1.00 0.00 N ATOM 589 CA LYS A 37 7.741 4.704 -3.093 1.00 0.00 C ATOM 590 C LYS A 37 6.649 4.231 -4.033 1.00 0.00 C ATOM 591 O LYS A 37 6.213 4.964 -4.919 1.00 0.00 O ATOM 592 CB LYS A 37 9.102 4.087 -3.520 1.00 0.00 C ATOM 593 CG LYS A 37 9.510 4.274 -4.999 1.00 0.00 C ATOM 594 CD LYS A 37 10.136 5.637 -5.361 1.00 0.00 C ATOM 595 CE LYS A 37 9.190 6.844 -5.334 1.00 0.00 C ATOM 596 NZ LYS A 37 9.881 8.057 -5.811 1.00 0.00 N ATOM 0 H LYS A 37 8.052 3.713 -1.281 1.00 0.00 H new ATOM 0 HA LYS A 37 7.813 5.789 -3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.883 4.517 -2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.074 3.019 -3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.220 3.489 -5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.627 4.126 -5.620 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.958 5.830 -4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.567 5.562 -6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.320 6.645 -5.960 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.824 7.003 -4.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.225 8.863 -5.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.697 8.255 -5.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.209 7.909 -6.787 1.00 0.00 H new ATOM 610 N LEU A 38 6.153 2.999 -3.817 1.00 0.00 N ATOM 611 CA LEU A 38 5.026 2.427 -4.527 1.00 0.00 C ATOM 612 C LEU A 38 3.744 3.225 -4.301 1.00 0.00 C ATOM 613 O LEU A 38 3.053 3.582 -5.252 1.00 0.00 O ATOM 614 CB LEU A 38 4.886 0.938 -4.120 1.00 0.00 C ATOM 615 CG LEU A 38 3.880 0.100 -4.932 1.00 0.00 C ATOM 616 CD1 LEU A 38 4.379 -1.347 -5.075 1.00 0.00 C ATOM 617 CD2 LEU A 38 2.472 0.089 -4.312 1.00 0.00 C ATOM 0 H LEU A 38 6.547 2.366 -3.120 1.00 0.00 H new ATOM 0 HA LEU A 38 5.208 2.479 -5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.866 0.468 -4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.597 0.896 -3.070 1.00 0.00 H new ATOM 0 HG LEU A 38 3.807 0.573 -5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.657 -1.926 -5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.340 -1.351 -5.589 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.494 -1.792 -4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.808 -0.517 -4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.520 -0.332 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.089 1.108 -4.260 1.00 0.00 H new ATOM 629 N MET A 39 3.444 3.593 -3.039 1.00 0.00 N ATOM 630 CA MET A 39 2.336 4.465 -2.686 1.00 0.00 C ATOM 631 C MET A 39 2.353 5.812 -3.411 1.00 0.00 C ATOM 632 O MET A 39 1.429 6.132 -4.153 1.00 0.00 O ATOM 633 CB MET A 39 2.284 4.709 -1.153 1.00 0.00 C ATOM 634 CG MET A 39 2.036 3.446 -0.300 1.00 0.00 C ATOM 635 SD MET A 39 0.307 3.164 0.214 1.00 0.00 S ATOM 636 CE MET A 39 -0.371 2.568 -1.363 1.00 0.00 C ATOM 0 H MET A 39 3.983 3.280 -2.231 1.00 0.00 H new ATOM 0 HA MET A 39 1.441 3.936 -3.013 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.225 5.162 -0.840 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.496 5.432 -0.942 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.374 2.577 -0.864 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.656 3.507 0.594 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.165 1.847 -1.168 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.774 3.409 -1.927 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.419 2.089 -1.941 1.00 0.00 H new ATOM 646 N ASN A 40 3.419 6.625 -3.253 1.00 0.00 N ATOM 647 CA ASN A 40 3.536 7.911 -3.930 1.00 0.00 C ATOM 648 C ASN A 40 3.539 7.800 -5.461 1.00 0.00 C ATOM 649 O ASN A 40 2.903 8.602 -6.143 1.00 0.00 O ATOM 650 CB ASN A 40 4.788 8.711 -3.454 1.00 0.00 C ATOM 651 CG ASN A 40 4.578 9.352 -2.083 1.00 0.00 C ATOM 652 OD1 ASN A 40 5.332 9.149 -1.128 1.00 0.00 O ATOM 653 ND2 ASN A 40 3.552 10.230 -1.987 1.00 0.00 N ATOM 0 H ASN A 40 4.213 6.400 -2.653 1.00 0.00 H new ATOM 0 HA ASN A 40 2.637 8.459 -3.647 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.649 8.044 -3.413 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.020 9.487 -4.184 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.393 10.735 -1.115 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.938 10.386 -2.786 1.00 0.00 H new ATOM 660 N ALA A 41 4.205 6.781 -6.040 1.00 0.00 N ATOM 661 CA ALA A 41 4.175 6.529 -7.472 1.00 0.00 C ATOM 662 C ALA A 41 2.781 6.209 -8.016 1.00 0.00 C ATOM 663 O ALA A 41 2.346 6.782 -9.013 1.00 0.00 O ATOM 664 CB ALA A 41 5.140 5.379 -7.826 1.00 0.00 C ATOM 0 H ALA A 41 4.775 6.116 -5.517 1.00 0.00 H new ATOM 0 HA ALA A 41 4.490 7.458 -7.947 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.111 5.197 -8.900 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.154 5.651 -7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.838 4.475 -7.297 1.00 0.00 H new ATOM 670 N TYR A 42 2.025 5.299 -7.367 1.00 0.00 N ATOM 671 CA TYR A 42 0.663 5.003 -7.773 1.00 0.00 C ATOM 672 C TYR A 42 -0.308 6.151 -7.525 1.00 0.00 C ATOM 673 O TYR A 42 -1.214 6.347 -8.329 1.00 0.00 O ATOM 674 CB TYR A 42 0.129 3.679 -7.160 1.00 0.00 C ATOM 675 CG TYR A 42 0.569 2.503 -7.998 1.00 0.00 C ATOM 676 CD1 TYR A 42 -0.037 2.254 -9.245 1.00 0.00 C ATOM 677 CD2 TYR A 42 1.571 1.630 -7.553 1.00 0.00 C ATOM 678 CE1 TYR A 42 0.352 1.151 -10.022 1.00 0.00 C ATOM 679 CE2 TYR A 42 1.968 0.533 -8.330 1.00 0.00 C ATOM 680 CZ TYR A 42 1.354 0.292 -9.562 1.00 0.00 C ATOM 681 OH TYR A 42 1.734 -0.837 -10.312 1.00 0.00 O ATOM 0 H TYR A 42 2.348 4.764 -6.561 1.00 0.00 H new ATOM 0 HA TYR A 42 0.718 4.867 -8.853 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.498 3.567 -6.140 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -0.959 3.708 -7.104 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.808 2.918 -9.607 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.044 1.805 -6.598 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -0.123 0.967 -10.974 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.748 -0.125 -7.977 1.00 0.00 H new ATOM 0 HH TYR A 42 2.445 -1.319 -9.840 1.00 0.00 H new ATOM 691 N CYS A 43 -0.135 6.981 -6.473 1.00 0.00 N ATOM 692 CA CYS A 43 -0.880 8.234 -6.321 1.00 0.00 C ATOM 693 C CYS A 43 -0.728 9.168 -7.522 1.00 0.00 C ATOM 694 O CYS A 43 -1.720 9.540 -8.153 1.00 0.00 O ATOM 695 CB CYS A 43 -0.478 9.026 -5.042 1.00 0.00 C ATOM 696 SG CYS A 43 -1.017 8.219 -3.501 1.00 0.00 S ATOM 0 H CYS A 43 0.522 6.796 -5.715 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.920 7.916 -6.240 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.605 9.146 -5.022 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -0.909 10.026 -5.091 1.00 0.00 H new ATOM 0 HG CYS A 43 -0.267 7.183 -3.268 1.00 0.00 H new ATOM 702 N ASP A 44 0.525 9.525 -7.883 1.00 0.00 N ATOM 703 CA ASP A 44 0.856 10.353 -9.034 1.00 0.00 C ATOM 704 C ASP A 44 0.340 9.773 -10.365 1.00 0.00 C ATOM 705 O ASP A 44 -0.191 10.483 -11.220 1.00 0.00 O ATOM 706 CB ASP A 44 2.400 10.522 -9.151 1.00 0.00 C ATOM 707 CG ASP A 44 3.070 11.337 -8.057 1.00 0.00 C ATOM 708 OD1 ASP A 44 2.424 11.877 -7.129 1.00 0.00 O ATOM 709 OD2 ASP A 44 4.326 11.450 -8.159 1.00 0.00 O ATOM 0 H ASP A 44 1.348 9.230 -7.358 1.00 0.00 H new ATOM 0 HA ASP A 44 0.365 11.311 -8.864 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.853 9.531 -9.166 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.622 10.989 -10.111 1.00 0.00 H new ATOM 714 N ARG A 45 0.491 8.450 -10.588 1.00 0.00 N ATOM 715 CA ARG A 45 0.038 7.796 -11.809 1.00 0.00 C ATOM 716 C ARG A 45 -1.462 7.576 -11.921 1.00 0.00 C ATOM 717 O ARG A 45 -2.032 7.674 -13.010 1.00 0.00 O ATOM 718 CB ARG A 45 0.766 6.457 -12.047 1.00 0.00 C ATOM 719 CG ARG A 45 2.246 6.681 -12.389 1.00 0.00 C ATOM 720 CD ARG A 45 2.858 5.526 -13.180 1.00 0.00 C ATOM 721 NE ARG A 45 4.225 5.992 -13.569 1.00 0.00 N ATOM 722 CZ ARG A 45 4.722 5.982 -14.811 1.00 0.00 C ATOM 723 NH1 ARG A 45 4.134 5.384 -15.831 1.00 0.00 N ATOM 724 NH2 ARG A 45 5.869 6.617 -15.022 1.00 0.00 N ATOM 0 H ARG A 45 0.931 7.816 -9.921 1.00 0.00 H new ATOM 0 HA ARG A 45 0.298 8.515 -12.586 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.686 5.834 -11.156 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.281 5.916 -12.859 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.345 7.601 -12.965 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.809 6.821 -11.466 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.909 4.620 -12.576 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.258 5.290 -14.059 1.00 0.00 H new ATOM 0 HE ARG A 45 4.828 6.346 -12.826 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.250 4.894 -15.694 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.564 5.412 -16.756 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.339 7.090 -14.250 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.280 6.632 -15.956 1.00 0.00 H new ATOM 738 N ALA A 46 -2.161 7.265 -10.817 1.00 0.00 N ATOM 739 CA ALA A 46 -3.599 7.108 -10.823 1.00 0.00 C ATOM 740 C ALA A 46 -4.310 8.448 -10.933 1.00 0.00 C ATOM 741 O ALA A 46 -5.233 8.608 -11.729 1.00 0.00 O ATOM 742 CB ALA A 46 -4.061 6.377 -9.549 1.00 0.00 C ATOM 0 H ALA A 46 -1.732 7.118 -9.903 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.860 6.514 -11.699 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.145 6.266 -9.566 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.596 5.392 -9.505 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.770 6.955 -8.672 1.00 0.00 H new ATOM 748 N GLY A 47 -3.891 9.454 -10.141 1.00 0.00 N ATOM 749 CA GLY A 47 -4.597 10.732 -10.069 1.00 0.00 C ATOM 750 C GLY A 47 -5.821 10.624 -9.205 1.00 0.00 C ATOM 751 O GLY A 47 -6.851 11.243 -9.460 1.00 0.00 O ATOM 0 H GLY A 47 -3.065 9.398 -9.544 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.932 11.497 -9.669 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.882 11.051 -11.072 1.00 0.00 H new ATOM 755 N LEU A 48 -5.717 9.807 -8.140 1.00 0.00 N ATOM 756 CA LEU A 48 -6.784 9.552 -7.195 1.00 0.00 C ATOM 757 C LEU A 48 -6.813 10.596 -6.093 1.00 0.00 C ATOM 758 O LEU A 48 -5.882 11.387 -5.927 1.00 0.00 O ATOM 759 CB LEU A 48 -6.694 8.107 -6.623 1.00 0.00 C ATOM 760 CG LEU A 48 -5.363 7.680 -5.948 1.00 0.00 C ATOM 761 CD1 LEU A 48 -5.145 8.268 -4.543 1.00 0.00 C ATOM 762 CD2 LEU A 48 -5.305 6.148 -5.852 1.00 0.00 C ATOM 0 H LEU A 48 -4.860 9.300 -7.921 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.729 9.631 -7.732 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.494 7.985 -5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.896 7.411 -7.437 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.570 8.078 -6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.192 7.918 -4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.136 9.356 -4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.952 7.946 -3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.370 5.848 -5.378 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.145 5.789 -5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.359 5.718 -6.852 1.00 0.00 H new ATOM 774 N SER A 49 -7.897 10.636 -5.305 1.00 0.00 N ATOM 775 CA SER A 49 -8.044 11.617 -4.240 1.00 0.00 C ATOM 776 C SER A 49 -7.865 10.971 -2.883 1.00 0.00 C ATOM 777 O SER A 49 -8.652 10.133 -2.458 1.00 0.00 O ATOM 778 CB SER A 49 -9.410 12.345 -4.263 1.00 0.00 C ATOM 779 OG SER A 49 -9.650 12.942 -5.534 1.00 0.00 O ATOM 0 H SER A 49 -8.684 9.993 -5.392 1.00 0.00 H new ATOM 0 HA SER A 49 -7.265 12.358 -4.416 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.207 11.638 -4.033 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.431 13.111 -3.488 1.00 0.00 H new ATOM 0 HG SER A 49 -10.519 13.394 -5.524 1.00 0.00 H new ATOM 785 N MET A 50 -6.830 11.366 -2.126 1.00 0.00 N ATOM 786 CA MET A 50 -6.512 10.785 -0.826 1.00 0.00 C ATOM 787 C MET A 50 -7.531 11.129 0.272 1.00 0.00 C ATOM 788 O MET A 50 -7.620 10.486 1.320 1.00 0.00 O ATOM 789 CB MET A 50 -5.065 11.195 -0.458 1.00 0.00 C ATOM 790 CG MET A 50 -4.437 10.435 0.729 1.00 0.00 C ATOM 791 SD MET A 50 -4.604 8.618 0.701 1.00 0.00 S ATOM 792 CE MET A 50 -3.579 8.298 -0.762 1.00 0.00 C ATOM 0 H MET A 50 -6.187 12.106 -2.408 1.00 0.00 H new ATOM 0 HA MET A 50 -6.578 9.700 -0.901 1.00 0.00 H new ATOM 0 HB2 MET A 50 -4.432 11.051 -1.334 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.056 12.261 -0.229 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.376 10.681 0.770 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.887 10.806 1.650 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.505 7.223 -0.926 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.033 8.768 -1.634 1.00 0.00 H new ATOM 0 HE3 MET A 50 -2.582 8.711 -0.605 1.00 0.00 H new ATOM 802 N GLN A 51 -8.400 12.129 0.009 1.00 0.00 N ATOM 803 CA GLN A 51 -9.581 12.440 0.800 1.00 0.00 C ATOM 804 C GLN A 51 -10.711 11.395 0.711 1.00 0.00 C ATOM 805 O GLN A 51 -11.669 11.457 1.483 1.00 0.00 O ATOM 806 CB GLN A 51 -10.167 13.805 0.339 1.00 0.00 C ATOM 807 CG GLN A 51 -9.291 15.047 0.639 1.00 0.00 C ATOM 808 CD GLN A 51 -9.676 15.771 1.929 1.00 0.00 C ATOM 809 OE1 GLN A 51 -10.304 16.835 1.915 1.00 0.00 O ATOM 810 NE2 GLN A 51 -9.293 15.204 3.087 1.00 0.00 N ATOM 0 H GLN A 51 -8.283 12.754 -0.788 1.00 0.00 H new ATOM 0 HA GLN A 51 -9.238 12.456 1.834 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -10.344 13.759 -0.735 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -11.137 13.943 0.817 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -8.248 14.738 0.703 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -9.366 15.744 -0.195 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.775 14.325 3.078 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -9.520 15.653 3.974 1.00 0.00 H new ATOM 819 N VAL A 52 -10.666 10.427 -0.234 1.00 0.00 N ATOM 820 CA VAL A 52 -11.660 9.353 -0.321 1.00 0.00 C ATOM 821 C VAL A 52 -11.028 7.971 -0.215 1.00 0.00 C ATOM 822 O VAL A 52 -11.657 6.966 -0.541 1.00 0.00 O ATOM 823 CB VAL A 52 -12.517 9.399 -1.591 1.00 0.00 C ATOM 824 CG1 VAL A 52 -13.374 10.678 -1.606 1.00 0.00 C ATOM 825 CG2 VAL A 52 -11.666 9.304 -2.870 1.00 0.00 C ATOM 0 H VAL A 52 -9.941 10.376 -0.949 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.312 9.530 0.534 1.00 0.00 H new ATOM 0 HB VAL A 52 -13.172 8.528 -1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.979 10.700 -2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.027 10.688 -0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.723 11.552 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.317 9.341 -3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.966 10.139 -2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.112 8.365 -2.869 1.00 0.00 H new ATOM 835 N VAL A 53 -9.764 7.878 0.248 1.00 0.00 N ATOM 836 CA VAL A 53 -9.042 6.617 0.350 1.00 0.00 C ATOM 837 C VAL A 53 -8.470 6.484 1.751 1.00 0.00 C ATOM 838 O VAL A 53 -7.848 7.412 2.261 1.00 0.00 O ATOM 839 CB VAL A 53 -7.901 6.531 -0.671 1.00 0.00 C ATOM 840 CG1 VAL A 53 -7.146 5.192 -0.558 1.00 0.00 C ATOM 841 CG2 VAL A 53 -8.469 6.663 -2.097 1.00 0.00 C ATOM 0 H VAL A 53 -9.224 8.685 0.560 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.742 5.808 0.141 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.205 7.343 -0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.344 5.163 -1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.723 5.096 0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.836 4.369 -0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.655 6.601 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.180 5.858 -2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.974 7.623 -2.200 1.00 0.00 H new ATOM 851 N ARG A 54 -8.649 5.322 2.422 1.00 0.00 N ATOM 852 CA ARG A 54 -7.909 4.961 3.627 1.00 0.00 C ATOM 853 C ARG A 54 -7.627 3.468 3.594 1.00 0.00 C ATOM 854 O ARG A 54 -8.395 2.700 3.026 1.00 0.00 O ATOM 855 CB ARG A 54 -8.663 5.259 4.957 1.00 0.00 C ATOM 856 CG ARG A 54 -8.632 6.721 5.460 1.00 0.00 C ATOM 857 CD ARG A 54 -7.244 7.265 5.847 1.00 0.00 C ATOM 858 NE ARG A 54 -6.670 7.927 4.636 1.00 0.00 N ATOM 859 CZ ARG A 54 -5.833 8.964 4.728 1.00 0.00 C ATOM 860 NH1 ARG A 54 -4.925 9.009 5.687 1.00 0.00 N ATOM 861 NH2 ARG A 54 -5.915 9.959 3.857 1.00 0.00 N ATOM 0 H ARG A 54 -9.320 4.611 2.130 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.006 5.571 3.620 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.705 4.965 4.831 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.244 4.622 5.736 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.049 7.362 4.683 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.288 6.802 6.327 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.326 7.975 6.670 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.596 6.457 6.186 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.925 7.577 3.713 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.860 8.248 6.364 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.289 9.804 5.751 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.617 9.933 3.117 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.276 10.751 3.926 1.00 0.00 H new ATOM 875 N PHE A 55 -6.513 3.024 4.203 1.00 0.00 N ATOM 876 CA PHE A 55 -6.080 1.636 4.198 1.00 0.00 C ATOM 877 C PHE A 55 -5.794 1.155 5.618 1.00 0.00 C ATOM 878 O PHE A 55 -5.453 1.954 6.491 1.00 0.00 O ATOM 879 CB PHE A 55 -4.836 1.437 3.279 1.00 0.00 C ATOM 880 CG PHE A 55 -3.779 2.497 3.500 1.00 0.00 C ATOM 881 CD1 PHE A 55 -2.870 2.401 4.564 1.00 0.00 C ATOM 882 CD2 PHE A 55 -3.695 3.614 2.641 1.00 0.00 C ATOM 883 CE1 PHE A 55 -1.908 3.396 4.782 1.00 0.00 C ATOM 884 CE2 PHE A 55 -2.733 4.611 2.853 1.00 0.00 C ATOM 885 CZ PHE A 55 -1.839 4.502 3.922 1.00 0.00 C ATOM 0 H PHE A 55 -5.885 3.640 4.719 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.891 1.032 3.791 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.404 0.453 3.465 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.152 1.455 2.236 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.912 1.548 5.225 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.380 3.701 1.811 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.221 3.312 5.611 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.682 5.463 2.191 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.096 5.268 4.086 1.00 0.00 H new ATOM 895 N ARG A 56 -5.930 -0.161 5.890 1.00 0.00 N ATOM 896 CA ARG A 56 -5.683 -0.695 7.222 1.00 0.00 C ATOM 897 C ARG A 56 -5.363 -2.183 7.222 1.00 0.00 C ATOM 898 O ARG A 56 -5.699 -2.914 6.292 1.00 0.00 O ATOM 899 CB ARG A 56 -6.883 -0.445 8.174 1.00 0.00 C ATOM 900 CG ARG A 56 -8.202 -1.107 7.731 1.00 0.00 C ATOM 901 CD ARG A 56 -9.342 -0.861 8.714 1.00 0.00 C ATOM 902 NE ARG A 56 -10.539 -1.546 8.150 1.00 0.00 N ATOM 903 CZ ARG A 56 -11.708 -0.947 7.916 1.00 0.00 C ATOM 904 NH1 ARG A 56 -12.093 0.099 8.634 1.00 0.00 N ATOM 905 NH2 ARG A 56 -12.490 -1.413 6.954 1.00 0.00 N ATOM 0 H ARG A 56 -6.208 -0.859 5.201 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.806 -0.157 7.583 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.624 -0.811 9.168 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.043 0.630 8.262 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.484 -0.725 6.750 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.047 -2.180 7.622 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.097 -1.256 9.700 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.527 0.206 8.835 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.459 -2.538 7.928 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.493 0.456 9.377 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.990 0.546 8.443 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.196 -2.220 6.403 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.387 -0.965 6.764 1.00 0.00 H new ATOM 919 N PHE A 57 -4.706 -2.665 8.295 1.00 0.00 N ATOM 920 CA PHE A 57 -4.413 -4.072 8.524 1.00 0.00 C ATOM 921 C PHE A 57 -4.758 -4.335 9.990 1.00 0.00 C ATOM 922 O PHE A 57 -4.463 -3.499 10.843 1.00 0.00 O ATOM 923 CB PHE A 57 -2.914 -4.364 8.228 1.00 0.00 C ATOM 924 CG PHE A 57 -2.608 -5.828 8.019 1.00 0.00 C ATOM 925 CD1 PHE A 57 -2.589 -6.731 9.097 1.00 0.00 C ATOM 926 CD2 PHE A 57 -2.265 -6.308 6.740 1.00 0.00 C ATOM 927 CE1 PHE A 57 -2.272 -8.081 8.902 1.00 0.00 C ATOM 928 CE2 PHE A 57 -1.915 -7.650 6.545 1.00 0.00 C ATOM 929 CZ PHE A 57 -1.925 -8.541 7.626 1.00 0.00 C ATOM 0 H PHE A 57 -4.360 -2.060 9.040 1.00 0.00 H new ATOM 0 HA PHE A 57 -4.989 -4.724 7.868 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.614 -3.809 7.339 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.310 -3.991 9.055 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.822 -6.378 10.091 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.272 -5.632 5.898 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.295 -8.767 9.736 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.637 -7.998 5.561 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.666 -9.579 7.476 1.00 0.00 H new ATOM 939 N ASP A 58 -5.434 -5.463 10.319 1.00 0.00 N ATOM 940 CA ASP A 58 -5.932 -5.790 11.658 1.00 0.00 C ATOM 941 C ASP A 58 -6.681 -4.646 12.361 1.00 0.00 C ATOM 942 O ASP A 58 -6.466 -4.345 13.533 1.00 0.00 O ATOM 943 CB ASP A 58 -4.795 -6.346 12.571 1.00 0.00 C ATOM 944 CG ASP A 58 -4.290 -7.693 12.115 1.00 0.00 C ATOM 945 OD1 ASP A 58 -5.074 -8.481 11.531 1.00 0.00 O ATOM 946 OD2 ASP A 58 -3.113 -8.026 12.420 1.00 0.00 O ATOM 0 H ASP A 58 -5.649 -6.186 9.632 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.675 -6.571 11.494 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.967 -5.638 12.585 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.163 -6.427 13.594 1.00 0.00 H new ATOM 951 N GLY A 59 -7.579 -3.946 11.637 1.00 0.00 N ATOM 952 CA GLY A 59 -8.285 -2.771 12.139 1.00 0.00 C ATOM 953 C GLY A 59 -7.539 -1.460 12.029 1.00 0.00 C ATOM 954 O GLY A 59 -8.158 -0.406 11.884 1.00 0.00 O ATOM 0 H GLY A 59 -7.830 -4.191 10.679 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.227 -2.678 11.599 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.533 -2.940 13.187 1.00 0.00 H new ATOM 958 N GLN A 60 -6.200 -1.477 12.117 1.00 0.00 N ATOM 959 CA GLN A 60 -5.372 -0.310 12.378 1.00 0.00 C ATOM 960 C GLN A 60 -4.799 0.348 11.112 1.00 0.00 C ATOM 961 O GLN A 60 -4.355 -0.363 10.206 1.00 0.00 O ATOM 962 CB GLN A 60 -4.183 -0.728 13.285 1.00 0.00 C ATOM 963 CG GLN A 60 -4.637 -1.326 14.638 1.00 0.00 C ATOM 964 CD GLN A 60 -3.459 -1.832 15.464 1.00 0.00 C ATOM 965 OE1 GLN A 60 -3.080 -2.990 15.424 1.00 0.00 O ATOM 966 NE2 GLN A 60 -2.854 -0.917 16.272 1.00 0.00 N ATOM 0 H GLN A 60 -5.656 -2.333 12.004 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.021 0.424 12.856 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.570 -1.459 12.758 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.552 0.141 13.471 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.179 -0.569 15.205 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.332 -2.146 14.457 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.187 0.047 16.290 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.068 -1.196 16.859 1.00 0.00 H new ATOM 975 N PRO A 61 -4.749 1.678 10.975 1.00 0.00 N ATOM 976 CA PRO A 61 -4.013 2.328 9.895 1.00 0.00 C ATOM 977 C PRO A 61 -2.502 2.239 10.106 1.00 0.00 C ATOM 978 O PRO A 61 -2.014 2.416 11.220 1.00 0.00 O ATOM 979 CB PRO A 61 -4.526 3.780 9.950 1.00 0.00 C ATOM 980 CG PRO A 61 -4.851 4.010 11.428 1.00 0.00 C ATOM 981 CD PRO A 61 -5.360 2.644 11.892 1.00 0.00 C ATOM 0 HA PRO A 61 -4.174 1.861 8.923 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.772 4.482 9.595 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.408 3.915 9.323 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.971 4.323 11.990 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.605 4.786 11.558 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.071 2.445 12.924 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.448 2.594 11.850 1.00 0.00 H new ATOM 989 N ILE A 62 -1.737 1.968 9.033 1.00 0.00 N ATOM 990 CA ILE A 62 -0.312 1.671 9.105 1.00 0.00 C ATOM 991 C ILE A 62 0.551 2.832 8.600 1.00 0.00 C ATOM 992 O ILE A 62 0.078 3.739 7.909 1.00 0.00 O ATOM 993 CB ILE A 62 -0.029 0.353 8.359 1.00 0.00 C ATOM 994 CG1 ILE A 62 1.320 -0.303 8.739 1.00 0.00 C ATOM 995 CG2 ILE A 62 -0.190 0.538 6.830 1.00 0.00 C ATOM 996 CD1 ILE A 62 1.424 -1.767 8.298 1.00 0.00 C ATOM 0 H ILE A 62 -2.106 1.951 8.082 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.032 1.543 10.151 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.784 -0.359 8.692 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.133 0.265 8.287 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.453 -0.245 9.819 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.015 -0.406 6.326 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.209 0.855 6.607 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.510 1.296 6.479 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.393 -2.168 8.594 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.631 -2.347 8.771 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.322 -1.829 7.215 1.00 0.00 H new ATOM 1008 N ASN A 63 1.859 2.842 8.949 1.00 0.00 N ATOM 1009 CA ASN A 63 2.846 3.761 8.404 1.00 0.00 C ATOM 1010 C ASN A 63 3.643 3.059 7.312 1.00 0.00 C ATOM 1011 O ASN A 63 4.312 2.054 7.539 1.00 0.00 O ATOM 1012 CB ASN A 63 3.872 4.237 9.467 1.00 0.00 C ATOM 1013 CG ASN A 63 3.190 4.905 10.649 1.00 0.00 C ATOM 1014 OD1 ASN A 63 2.854 6.095 10.620 1.00 0.00 O ATOM 1015 ND2 ASN A 63 3.021 4.146 11.748 1.00 0.00 N ATOM 0 H ASN A 63 2.250 2.193 9.632 1.00 0.00 H new ATOM 0 HA ASN A 63 2.292 4.622 8.029 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.454 3.385 9.817 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.573 4.935 9.009 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.606 4.550 12.588 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.308 3.167 11.741 1.00 0.00 H new ATOM 1022 N GLU A 64 3.639 3.594 6.084 1.00 0.00 N ATOM 1023 CA GLU A 64 4.267 3.017 4.908 1.00 0.00 C ATOM 1024 C GLU A 64 5.777 3.281 4.796 1.00 0.00 C ATOM 1025 O GLU A 64 6.408 3.031 3.765 1.00 0.00 O ATOM 1026 CB GLU A 64 3.502 3.531 3.660 1.00 0.00 C ATOM 1027 CG GLU A 64 3.676 5.035 3.282 1.00 0.00 C ATOM 1028 CD GLU A 64 3.481 6.048 4.401 1.00 0.00 C ATOM 1029 OE1 GLU A 64 2.508 5.909 5.181 1.00 0.00 O ATOM 1030 OE2 GLU A 64 4.332 6.967 4.517 1.00 0.00 O ATOM 0 H GLU A 64 3.175 4.480 5.884 1.00 0.00 H new ATOM 0 HA GLU A 64 4.198 1.932 4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.811 2.930 2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.440 3.343 3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.677 5.169 2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.971 5.269 2.484 1.00 0.00 H new ATOM 1037 N ASN A 65 6.391 3.782 5.887 1.00 0.00 N ATOM 1038 CA ASN A 65 7.801 4.105 5.995 1.00 0.00 C ATOM 1039 C ASN A 65 8.592 3.038 6.779 1.00 0.00 C ATOM 1040 O ASN A 65 9.801 3.177 6.979 1.00 0.00 O ATOM 1041 CB ASN A 65 7.910 5.511 6.665 1.00 0.00 C ATOM 1042 CG ASN A 65 9.293 6.132 6.479 1.00 0.00 C ATOM 1043 OD1 ASN A 65 9.824 6.192 5.354 1.00 0.00 O ATOM 1044 ND2 ASN A 65 9.913 6.609 7.572 1.00 0.00 N ATOM 0 H ASN A 65 5.881 3.976 6.749 1.00 0.00 H new ATOM 0 HA ASN A 65 8.249 4.121 5.002 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.156 6.174 6.240 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.693 5.422 7.730 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.838 7.031 7.490 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.459 6.549 8.483 1.00 0.00 H new ATOM 1051 N ASP A 66 7.935 1.946 7.220 1.00 0.00 N ATOM 1052 CA ASP A 66 8.588 0.796 7.836 1.00 0.00 C ATOM 1053 C ASP A 66 9.148 -0.127 6.736 1.00 0.00 C ATOM 1054 O ASP A 66 8.919 0.105 5.546 1.00 0.00 O ATOM 1055 CB ASP A 66 7.575 0.102 8.794 1.00 0.00 C ATOM 1056 CG ASP A 66 8.249 -0.580 9.969 1.00 0.00 C ATOM 1057 OD1 ASP A 66 9.474 -0.847 9.903 1.00 0.00 O ATOM 1058 OD2 ASP A 66 7.556 -0.802 10.998 1.00 0.00 O ATOM 0 H ASP A 66 6.922 1.847 7.153 1.00 0.00 H new ATOM 0 HA ASP A 66 9.443 1.094 8.442 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.868 0.843 9.167 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.999 -0.635 8.234 1.00 0.00 H new ATOM 1063 N THR A 67 9.947 -1.155 7.088 1.00 0.00 N ATOM 1064 CA THR A 67 10.648 -1.980 6.089 1.00 0.00 C ATOM 1065 C THR A 67 10.495 -3.477 6.351 1.00 0.00 C ATOM 1066 O THR A 67 10.459 -3.903 7.509 1.00 0.00 O ATOM 1067 CB THR A 67 12.144 -1.668 5.896 1.00 0.00 C ATOM 1068 OG1 THR A 67 12.983 -2.205 6.909 1.00 0.00 O ATOM 1069 CG2 THR A 67 12.399 -0.151 5.882 1.00 0.00 C ATOM 0 H THR A 67 10.121 -1.431 8.054 1.00 0.00 H new ATOM 0 HA THR A 67 10.143 -1.702 5.164 1.00 0.00 H new ATOM 0 HB THR A 67 12.391 -2.134 4.942 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.637 -2.813 6.504 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.464 0.038 5.744 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.841 0.304 5.064 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.073 0.281 6.828 1.00 0.00 H new ATOM 1077 N PRO A 68 10.478 -4.354 5.337 1.00 0.00 N ATOM 1078 CA PRO A 68 10.401 -5.797 5.565 1.00 0.00 C ATOM 1079 C PRO A 68 11.725 -6.409 6.001 1.00 0.00 C ATOM 1080 O PRO A 68 11.781 -7.618 6.203 1.00 0.00 O ATOM 1081 CB PRO A 68 9.942 -6.354 4.204 1.00 0.00 C ATOM 1082 CG PRO A 68 10.478 -5.347 3.187 1.00 0.00 C ATOM 1083 CD PRO A 68 10.310 -4.017 3.920 1.00 0.00 C ATOM 0 HA PRO A 68 9.723 -6.039 6.383 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.343 -7.352 4.026 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.856 -6.433 4.152 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.520 -5.542 2.933 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.913 -5.371 2.255 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.052 -3.288 3.595 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.330 -3.580 3.730 1.00 0.00 H new ATOM 1091 N THR A 69 12.814 -5.625 6.176 1.00 0.00 N ATOM 1092 CA THR A 69 14.000 -6.099 6.898 1.00 0.00 C ATOM 1093 C THR A 69 13.878 -5.807 8.380 1.00 0.00 C ATOM 1094 O THR A 69 14.350 -6.587 9.206 1.00 0.00 O ATOM 1095 CB THR A 69 15.366 -5.637 6.385 1.00 0.00 C ATOM 1096 OG1 THR A 69 15.448 -4.242 6.128 1.00 0.00 O ATOM 1097 CG2 THR A 69 15.680 -6.352 5.066 1.00 0.00 C ATOM 0 H THR A 69 12.888 -4.669 5.827 1.00 0.00 H new ATOM 0 HA THR A 69 13.995 -7.171 6.700 1.00 0.00 H new ATOM 0 HB THR A 69 16.074 -5.877 7.178 1.00 0.00 H new ATOM 0 HG1 THR A 69 16.347 -4.021 5.806 1.00 0.00 H new ATOM 0 HG21 THR A 69 16.652 -6.025 4.698 1.00 0.00 H new ATOM 0 HG22 THR A 69 15.698 -7.429 5.231 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.913 -6.111 4.330 1.00 0.00 H new ATOM 1105 N SER A 70 13.182 -4.710 8.769 1.00 0.00 N ATOM 1106 CA SER A 70 12.826 -4.414 10.152 1.00 0.00 C ATOM 1107 C SER A 70 11.837 -5.401 10.751 1.00 0.00 C ATOM 1108 O SER A 70 11.869 -5.681 11.948 1.00 0.00 O ATOM 1109 CB SER A 70 12.193 -3.003 10.321 1.00 0.00 C ATOM 1110 OG SER A 70 13.141 -1.967 10.043 1.00 0.00 O ATOM 0 H SER A 70 12.854 -4.004 8.110 1.00 0.00 H new ATOM 0 HA SER A 70 13.780 -4.478 10.675 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.338 -2.904 9.653 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.817 -2.891 11.338 1.00 0.00 H new ATOM 0 HG SER A 70 13.247 -1.873 9.073 1.00 0.00 H new ATOM 1116 N LEU A 71 10.894 -5.936 9.958 1.00 0.00 N ATOM 1117 CA LEU A 71 9.875 -6.862 10.436 1.00 0.00 C ATOM 1118 C LEU A 71 10.198 -8.300 10.094 1.00 0.00 C ATOM 1119 O LEU A 71 10.467 -9.103 10.993 1.00 0.00 O ATOM 1120 CB LEU A 71 8.497 -6.521 9.842 1.00 0.00 C ATOM 1121 CG LEU A 71 7.693 -5.459 10.606 1.00 0.00 C ATOM 1122 CD1 LEU A 71 7.266 -5.955 11.992 1.00 0.00 C ATOM 1123 CD2 LEU A 71 8.426 -4.118 10.680 1.00 0.00 C ATOM 0 H LEU A 71 10.824 -5.731 8.961 1.00 0.00 H new ATOM 0 HA LEU A 71 9.855 -6.754 11.520 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.637 -6.178 8.817 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.905 -7.435 9.794 1.00 0.00 H new ATOM 0 HG LEU A 71 6.782 -5.284 10.033 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.700 -5.174 12.499 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.643 -6.843 11.885 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.151 -6.201 12.579 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.817 -3.400 11.230 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.379 -4.252 11.191 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.605 -3.745 9.672 1.00 0.00 H new ATOM 1135 N GLU A 72 10.135 -8.641 8.790 1.00 0.00 N ATOM 1136 CA GLU A 72 10.418 -9.938 8.194 1.00 0.00 C ATOM 1137 C GLU A 72 9.223 -10.877 8.239 1.00 0.00 C ATOM 1138 O GLU A 72 9.325 -12.041 8.632 1.00 0.00 O ATOM 1139 CB GLU A 72 11.691 -10.655 8.724 1.00 0.00 C ATOM 1140 CG GLU A 72 12.969 -9.786 8.690 1.00 0.00 C ATOM 1141 CD GLU A 72 14.116 -10.504 9.358 1.00 0.00 C ATOM 1142 OE1 GLU A 72 14.025 -10.799 10.578 1.00 0.00 O ATOM 1143 OE2 GLU A 72 15.110 -10.829 8.659 1.00 0.00 O ATOM 0 H GLU A 72 9.863 -7.957 8.084 1.00 0.00 H new ATOM 0 HA GLU A 72 10.633 -9.688 7.155 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.512 -10.978 9.750 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.861 -11.554 8.132 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.230 -9.553 7.658 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.784 -8.837 9.193 1.00 0.00 H new ATOM 1150 N MET A 73 8.041 -10.395 7.822 1.00 0.00 N ATOM 1151 CA MET A 73 6.861 -11.234 7.720 1.00 0.00 C ATOM 1152 C MET A 73 5.961 -10.843 6.556 1.00 0.00 C ATOM 1153 O MET A 73 4.969 -11.508 6.266 1.00 0.00 O ATOM 1154 CB MET A 73 6.065 -11.238 9.054 1.00 0.00 C ATOM 1155 CG MET A 73 5.468 -9.881 9.465 1.00 0.00 C ATOM 1156 SD MET A 73 4.768 -9.909 11.138 1.00 0.00 S ATOM 1157 CE MET A 73 4.026 -8.257 10.997 1.00 0.00 C ATOM 0 H MET A 73 7.889 -9.423 7.552 1.00 0.00 H new ATOM 0 HA MET A 73 7.214 -12.246 7.520 1.00 0.00 H new ATOM 0 HB2 MET A 73 5.255 -11.963 8.973 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.724 -11.583 9.851 1.00 0.00 H new ATOM 0 HG2 MET A 73 6.242 -9.116 9.411 1.00 0.00 H new ATOM 0 HG3 MET A 73 4.691 -9.599 8.754 1.00 0.00 H new ATOM 0 HE1 MET A 73 3.634 -7.950 11.967 1.00 0.00 H new ATOM 0 HE2 MET A 73 4.783 -7.545 10.670 1.00 0.00 H new ATOM 0 HE3 MET A 73 3.215 -8.283 10.269 1.00 0.00 H new ATOM 1167 N GLU A 74 6.263 -9.746 5.844 1.00 0.00 N ATOM 1168 CA GLU A 74 5.457 -9.211 4.770 1.00 0.00 C ATOM 1169 C GLU A 74 5.749 -9.822 3.405 1.00 0.00 C ATOM 1170 O GLU A 74 5.854 -9.134 2.393 1.00 0.00 O ATOM 1171 CB GLU A 74 5.655 -7.677 4.692 1.00 0.00 C ATOM 1172 CG GLU A 74 5.572 -6.963 6.064 1.00 0.00 C ATOM 1173 CD GLU A 74 6.926 -6.764 6.738 1.00 0.00 C ATOM 1174 OE1 GLU A 74 7.650 -7.766 7.005 1.00 0.00 O ATOM 1175 OE2 GLU A 74 7.252 -5.583 7.004 1.00 0.00 O ATOM 0 H GLU A 74 7.106 -9.199 6.017 1.00 0.00 H new ATOM 0 HA GLU A 74 4.425 -9.469 5.009 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.626 -7.468 4.243 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.900 -7.256 4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.098 -5.991 5.929 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.929 -7.542 6.726 1.00 0.00 H new ATOM 1182 N GLU A 75 5.853 -11.166 3.303 1.00 0.00 N ATOM 1183 CA GLU A 75 6.019 -11.821 2.022 1.00 0.00 C ATOM 1184 C GLU A 75 4.700 -11.930 1.274 1.00 0.00 C ATOM 1185 O GLU A 75 4.637 -11.754 0.052 1.00 0.00 O ATOM 1186 CB GLU A 75 6.646 -13.233 2.153 1.00 0.00 C ATOM 1187 CG GLU A 75 8.084 -13.218 2.725 1.00 0.00 C ATOM 1188 CD GLU A 75 8.653 -14.618 2.818 1.00 0.00 C ATOM 1189 OE1 GLU A 75 8.015 -15.501 3.448 1.00 0.00 O ATOM 1190 OE2 GLU A 75 9.757 -14.868 2.272 1.00 0.00 O ATOM 0 H GLU A 75 5.823 -11.801 4.100 1.00 0.00 H new ATOM 0 HA GLU A 75 6.705 -11.191 1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.014 -13.845 2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.658 -13.709 1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.724 -12.604 2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.080 -12.758 3.713 1.00 0.00 H new ATOM 1197 N GLY A 76 3.605 -12.227 2.003 1.00 0.00 N ATOM 1198 CA GLY A 76 2.252 -12.258 1.476 1.00 0.00 C ATOM 1199 C GLY A 76 1.335 -11.364 2.259 1.00 0.00 C ATOM 1200 O GLY A 76 0.738 -11.784 3.248 1.00 0.00 O ATOM 0 H GLY A 76 3.653 -12.455 2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.260 -11.947 0.431 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.874 -13.280 1.501 1.00 0.00 H new ATOM 1204 N ASP A 77 1.179 -10.108 1.812 1.00 0.00 N ATOM 1205 CA ASP A 77 0.269 -9.150 2.409 1.00 0.00 C ATOM 1206 C ASP A 77 -1.164 -9.314 1.860 1.00 0.00 C ATOM 1207 O ASP A 77 -1.401 -9.948 0.829 1.00 0.00 O ATOM 1208 CB ASP A 77 0.877 -7.727 2.233 1.00 0.00 C ATOM 1209 CG ASP A 77 -0.125 -6.619 2.501 1.00 0.00 C ATOM 1210 OD1 ASP A 77 -0.633 -6.560 3.647 1.00 0.00 O ATOM 1211 OD2 ASP A 77 -0.512 -5.939 1.519 1.00 0.00 O ATOM 0 H ASP A 77 1.694 -9.736 1.014 1.00 0.00 H new ATOM 0 HA ASP A 77 0.160 -9.328 3.479 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.725 -7.614 2.908 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.261 -7.625 1.218 1.00 0.00 H new ATOM 1216 N THR A 78 -2.131 -8.729 2.591 1.00 0.00 N ATOM 1217 CA THR A 78 -3.560 -8.682 2.290 1.00 0.00 C ATOM 1218 C THR A 78 -4.170 -7.437 2.925 1.00 0.00 C ATOM 1219 O THR A 78 -5.174 -7.502 3.630 1.00 0.00 O ATOM 1220 CB THR A 78 -4.376 -9.901 2.747 1.00 0.00 C ATOM 1221 OG1 THR A 78 -3.932 -10.415 4.001 1.00 0.00 O ATOM 1222 CG2 THR A 78 -4.231 -11.042 1.727 1.00 0.00 C ATOM 0 H THR A 78 -1.913 -8.247 3.463 1.00 0.00 H new ATOM 0 HA THR A 78 -3.616 -8.671 1.201 1.00 0.00 H new ATOM 0 HB THR A 78 -5.408 -9.560 2.837 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.481 -11.187 4.251 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.812 -11.902 2.058 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.596 -10.710 0.755 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.181 -11.324 1.643 1.00 0.00 H new ATOM 1230 N ILE A 79 -3.600 -6.240 2.696 1.00 0.00 N ATOM 1231 CA ILE A 79 -4.137 -4.989 3.227 1.00 0.00 C ATOM 1232 C ILE A 79 -5.484 -4.575 2.601 1.00 0.00 C ATOM 1233 O ILE A 79 -5.715 -4.709 1.400 1.00 0.00 O ATOM 1234 CB ILE A 79 -3.085 -3.879 3.117 1.00 0.00 C ATOM 1235 CG1 ILE A 79 -3.402 -2.676 4.036 1.00 0.00 C ATOM 1236 CG2 ILE A 79 -2.861 -3.471 1.643 1.00 0.00 C ATOM 1237 CD1 ILE A 79 -2.268 -1.647 4.115 1.00 0.00 C ATOM 0 H ILE A 79 -2.755 -6.120 2.137 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.362 -5.160 4.280 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.140 -4.282 3.481 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.305 -2.182 3.676 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.618 -3.043 5.039 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.110 -2.682 1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.517 -4.335 1.074 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.797 -3.107 1.220 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.561 -0.832 4.777 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.369 -2.125 4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.066 -1.251 3.120 1.00 0.00 H new ATOM 1249 N GLU A 80 -6.460 -4.078 3.396 1.00 0.00 N ATOM 1250 CA GLU A 80 -7.732 -3.630 2.838 1.00 0.00 C ATOM 1251 C GLU A 80 -7.749 -2.125 2.595 1.00 0.00 C ATOM 1252 O GLU A 80 -7.071 -1.348 3.270 1.00 0.00 O ATOM 1253 CB GLU A 80 -8.966 -4.044 3.688 1.00 0.00 C ATOM 1254 CG GLU A 80 -9.060 -3.352 5.066 1.00 0.00 C ATOM 1255 CD GLU A 80 -10.402 -3.531 5.741 1.00 0.00 C ATOM 1256 OE1 GLU A 80 -11.460 -3.165 5.154 1.00 0.00 O ATOM 1257 OE2 GLU A 80 -10.434 -3.913 6.934 1.00 0.00 O ATOM 0 H GLU A 80 -6.382 -3.983 4.409 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.815 -4.145 1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.871 -3.822 3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.941 -5.123 3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.280 -3.747 5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.863 -2.287 4.943 1.00 0.00 H new ATOM 1264 N VAL A 81 -8.539 -1.671 1.601 1.00 0.00 N ATOM 1265 CA VAL A 81 -8.721 -0.264 1.293 1.00 0.00 C ATOM 1266 C VAL A 81 -10.196 0.137 1.286 1.00 0.00 C ATOM 1267 O VAL A 81 -11.058 -0.459 0.635 1.00 0.00 O ATOM 1268 CB VAL A 81 -7.994 0.148 0.007 1.00 0.00 C ATOM 1269 CG1 VAL A 81 -8.569 -0.539 -1.245 1.00 0.00 C ATOM 1270 CG2 VAL A 81 -8.003 1.677 -0.156 1.00 0.00 C ATOM 0 H VAL A 81 -9.070 -2.291 0.989 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.253 0.297 2.101 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.962 -0.190 0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.017 -0.211 -2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.477 -1.620 -1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.620 -0.273 -1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.482 1.948 -1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.033 2.032 -0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.501 2.137 0.695 1.00 0.00 H new ATOM 1280 N TYR A 82 -10.524 1.217 2.025 1.00 0.00 N ATOM 1281 CA TYR A 82 -11.822 1.859 1.995 1.00 0.00 C ATOM 1282 C TYR A 82 -11.814 2.895 0.874 1.00 0.00 C ATOM 1283 O TYR A 82 -10.852 3.646 0.700 1.00 0.00 O ATOM 1284 CB TYR A 82 -12.162 2.496 3.371 1.00 0.00 C ATOM 1285 CG TYR A 82 -13.591 2.964 3.420 1.00 0.00 C ATOM 1286 CD1 TYR A 82 -14.611 2.094 3.840 1.00 0.00 C ATOM 1287 CD2 TYR A 82 -13.928 4.263 3.012 1.00 0.00 C ATOM 1288 CE1 TYR A 82 -15.952 2.519 3.843 1.00 0.00 C ATOM 1289 CE2 TYR A 82 -15.264 4.684 3.005 1.00 0.00 C ATOM 1290 CZ TYR A 82 -16.277 3.813 3.419 1.00 0.00 C ATOM 1291 OH TYR A 82 -17.624 4.229 3.412 1.00 0.00 O ATOM 0 H TYR A 82 -9.869 1.664 2.667 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.601 1.122 1.799 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.988 1.768 4.164 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -11.495 3.337 3.559 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.364 1.093 4.162 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.150 4.945 2.700 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -16.731 1.847 4.172 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -15.512 5.683 2.679 1.00 0.00 H new ATOM 0 HH TYR A 82 -17.679 5.154 3.092 1.00 0.00 H new ATOM 1301 N GLN A 83 -12.884 2.918 0.060 1.00 0.00 N ATOM 1302 CA GLN A 83 -12.957 3.641 -1.192 1.00 0.00 C ATOM 1303 C GLN A 83 -14.309 4.326 -1.278 1.00 0.00 C ATOM 1304 O GLN A 83 -15.279 3.845 -0.700 1.00 0.00 O ATOM 1305 CB GLN A 83 -12.898 2.633 -2.378 1.00 0.00 C ATOM 1306 CG GLN A 83 -11.648 1.716 -2.397 1.00 0.00 C ATOM 1307 CD GLN A 83 -11.884 0.487 -3.281 1.00 0.00 C ATOM 1308 OE1 GLN A 83 -12.780 -0.313 -3.025 1.00 0.00 O ATOM 1309 NE2 GLN A 83 -11.055 0.313 -4.333 1.00 0.00 N ATOM 0 H GLN A 83 -13.743 2.412 0.276 1.00 0.00 H new ATOM 0 HA GLN A 83 -12.134 4.354 -1.240 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.789 2.006 -2.347 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.934 3.192 -3.313 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.788 2.275 -2.766 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.410 1.398 -1.382 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.320 0.994 -4.521 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.164 -0.500 -4.939 1.00 0.00 H new ATOM 1318 N GLN A 84 -14.447 5.438 -2.035 1.00 0.00 N ATOM 1319 CA GLN A 84 -15.770 5.992 -2.307 1.00 0.00 C ATOM 1320 C GLN A 84 -16.520 5.262 -3.413 1.00 0.00 C ATOM 1321 O GLN A 84 -17.736 5.379 -3.523 1.00 0.00 O ATOM 1322 CB GLN A 84 -15.754 7.503 -2.672 1.00 0.00 C ATOM 1323 CG GLN A 84 -15.138 7.862 -4.053 1.00 0.00 C ATOM 1324 CD GLN A 84 -16.097 8.565 -5.030 1.00 0.00 C ATOM 1325 OE1 GLN A 84 -15.723 9.578 -5.626 1.00 0.00 O ATOM 1326 NE2 GLN A 84 -17.315 8.019 -5.224 1.00 0.00 N ATOM 0 H GLN A 84 -13.672 5.951 -2.455 1.00 0.00 H new ATOM 0 HA GLN A 84 -16.289 5.854 -1.359 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -16.779 7.874 -2.646 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.201 8.038 -1.899 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -14.272 8.504 -3.892 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.774 6.947 -4.520 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -17.585 7.180 -4.711 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -17.966 8.445 -5.884 1.00 0.00 H new