USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 488 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 Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 33 LYS NZ :NH3+ -158:sc= -0.0405 (180deg=-0.321) USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= -0.014 (180deg=-0.154) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -131:sc= -0.927 (180deg=-2.71!) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -2.25! USER MOD Single : A 52 THR OG1 : rot -73:sc=0.000316 USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= -0.844 (180deg=-1.4) USER MOD Single : A 54 MET CE :methyl -178:sc= 0 (180deg=-0.00483) USER MOD Single : A 57 SER OG : rot -128:sc= 1.05 USER MOD Single : A 59 THR OG1 : rot -43:sc=0.000488 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0181) USER MOD Single : A 64 GLN : amide:sc= -0.0723 K(o=-0.072,f=-1.3) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 73 LYS NZ :NH3+ -179:sc= -0.514 (180deg=-0.539) USER MOD Single : A 75 THR OG1 : rot -160:sc= -1.03 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0668) USER MOD ----------------------------------------------------------------- ATOM 132 N GLU A 12 -6.244 6.475 -9.706 1.00 0.00 N ATOM 133 CA GLU A 12 -5.079 6.973 -8.984 1.00 0.00 C ATOM 134 C GLU A 12 -5.039 6.414 -7.565 1.00 0.00 C ATOM 135 O GLU A 12 -4.630 7.100 -6.628 1.00 0.00 O ATOM 136 CB GLU A 12 -5.093 8.502 -8.941 1.00 0.00 C ATOM 137 CG GLU A 12 -5.187 9.149 -10.313 1.00 0.00 C ATOM 138 CD GLU A 12 -4.538 10.518 -10.359 1.00 0.00 C ATOM 139 OE1 GLU A 12 -3.333 10.615 -10.044 1.00 0.00 O ATOM 140 OE2 GLU A 12 -5.235 11.493 -10.709 1.00 0.00 O ATOM 0 HA GLU A 12 -4.186 6.640 -9.513 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.936 8.832 -8.334 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.187 8.851 -8.445 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.712 8.501 -11.049 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.236 9.239 -10.597 1.00 0.00 H new ATOM 147 N ILE A 13 -5.467 5.165 -7.415 1.00 0.00 N ATOM 148 CA ILE A 13 -5.480 4.513 -6.111 1.00 0.00 C ATOM 149 C ILE A 13 -5.161 3.027 -6.236 1.00 0.00 C ATOM 150 O ILE A 13 -5.632 2.356 -7.155 1.00 0.00 O ATOM 151 CB ILE A 13 -6.843 4.678 -5.413 1.00 0.00 C ATOM 152 CG1 ILE A 13 -7.234 6.156 -5.352 1.00 0.00 C ATOM 153 CG2 ILE A 13 -6.798 4.079 -4.015 1.00 0.00 C ATOM 154 CD1 ILE A 13 -8.492 6.416 -4.553 1.00 0.00 C ATOM 0 H ILE A 13 -5.809 4.584 -8.180 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.712 4.997 -5.508 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.598 4.145 -5.992 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.412 6.723 -4.915 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.374 6.529 -6.367 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.768 4.203 -3.534 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.559 3.018 -4.081 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.034 4.586 -3.426 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.709 7.484 -4.553 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.326 5.877 -5.002 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.349 6.075 -3.528 1.00 0.00 H new ATOM 166 N ILE A 14 -4.361 2.519 -5.305 1.00 0.00 N ATOM 167 CA ILE A 14 -3.982 1.112 -5.309 1.00 0.00 C ATOM 168 C ILE A 14 -4.056 0.518 -3.907 1.00 0.00 C ATOM 169 O ILE A 14 -3.450 1.037 -2.970 1.00 0.00 O ATOM 170 CB ILE A 14 -2.559 0.914 -5.863 1.00 0.00 C ATOM 171 CG1 ILE A 14 -2.260 1.953 -6.946 1.00 0.00 C ATOM 172 CG2 ILE A 14 -2.396 -0.495 -6.414 1.00 0.00 C ATOM 173 CD1 ILE A 14 -0.795 2.040 -7.312 1.00 0.00 C ATOM 0 H ILE A 14 -3.963 3.061 -4.538 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.691 0.597 -5.957 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.847 1.050 -5.049 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.836 1.711 -7.839 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.599 2.931 -6.604 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.385 -0.619 -6.802 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.571 -1.219 -5.618 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.115 -0.657 -7.217 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.657 2.796 -8.085 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.215 2.313 -6.430 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.455 1.074 -7.685 1.00 0.00 H new ATOM 185 N GLU A 15 -4.803 -0.573 -3.771 1.00 0.00 N ATOM 186 CA GLU A 15 -4.956 -1.238 -2.482 1.00 0.00 C ATOM 187 C GLU A 15 -4.320 -2.625 -2.507 1.00 0.00 C ATOM 188 O GLU A 15 -4.363 -3.322 -3.520 1.00 0.00 O ATOM 189 CB GLU A 15 -6.436 -1.350 -2.113 1.00 0.00 C ATOM 190 CG GLU A 15 -6.694 -2.196 -0.878 1.00 0.00 C ATOM 191 CD GLU A 15 -6.891 -3.663 -1.207 1.00 0.00 C ATOM 192 OE1 GLU A 15 -5.878 -4.374 -1.379 1.00 0.00 O ATOM 193 OE2 GLU A 15 -8.057 -4.101 -1.291 1.00 0.00 O ATOM 0 H GLU A 15 -5.311 -1.015 -4.537 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.446 -0.637 -1.729 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.837 -0.350 -1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.980 -1.777 -2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.856 -2.091 -0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.579 -1.821 -0.363 1.00 0.00 H new ATOM 200 N GLY A 16 -3.730 -3.020 -1.382 1.00 0.00 N ATOM 201 CA GLY A 16 -3.094 -4.321 -1.296 1.00 0.00 C ATOM 202 C GLY A 16 -2.806 -4.732 0.135 1.00 0.00 C ATOM 203 O GLY A 16 -2.839 -3.902 1.043 1.00 0.00 O ATOM 0 H GLY A 16 -3.682 -2.462 -0.530 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.736 -5.068 -1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.162 -4.304 -1.861 1.00 0.00 H new ATOM 207 N GLU A 17 -2.525 -6.016 0.335 1.00 0.00 N ATOM 208 CA GLU A 17 -2.233 -6.534 1.666 1.00 0.00 C ATOM 209 C GLU A 17 -0.783 -6.257 2.053 1.00 0.00 C ATOM 210 O GLU A 17 0.147 -6.733 1.401 1.00 0.00 O ATOM 211 CB GLU A 17 -2.509 -8.038 1.724 1.00 0.00 C ATOM 212 CG GLU A 17 -2.291 -8.645 3.100 1.00 0.00 C ATOM 213 CD GLU A 17 -2.589 -10.131 3.136 1.00 0.00 C ATOM 214 OE1 GLU A 17 -3.448 -10.584 2.351 1.00 0.00 O ATOM 215 OE2 GLU A 17 -1.962 -10.841 3.950 1.00 0.00 O ATOM 0 H GLU A 17 -2.493 -6.715 -0.407 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.884 -6.024 2.376 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.538 -8.222 1.414 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.864 -8.545 1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.259 -8.478 3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.926 -8.133 3.823 1.00 0.00 H new ATOM 222 N VAL A 18 -0.598 -5.482 3.117 1.00 0.00 N ATOM 223 CA VAL A 18 0.737 -5.141 3.592 1.00 0.00 C ATOM 224 C VAL A 18 1.521 -6.391 3.974 1.00 0.00 C ATOM 225 O VAL A 18 1.073 -7.190 4.797 1.00 0.00 O ATOM 226 CB VAL A 18 0.677 -4.195 4.805 1.00 0.00 C ATOM 227 CG1 VAL A 18 2.074 -3.737 5.196 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.219 -3.003 4.507 1.00 0.00 C ATOM 0 H VAL A 18 -1.357 -5.078 3.666 1.00 0.00 H new ATOM 0 HA VAL A 18 1.245 -4.635 2.771 1.00 0.00 H new ATOM 0 HB VAL A 18 0.251 -4.740 5.647 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.011 -3.069 6.055 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.682 -4.604 5.454 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.531 -3.209 4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.250 -2.345 5.375 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.176 -2.456 3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.226 -3.353 4.281 1.00 0.00 H new ATOM 238 N VAL A 19 2.694 -6.555 3.372 1.00 0.00 N ATOM 239 CA VAL A 19 3.542 -7.709 3.650 1.00 0.00 C ATOM 240 C VAL A 19 4.814 -7.292 4.380 1.00 0.00 C ATOM 241 O VAL A 19 5.171 -7.871 5.405 1.00 0.00 O ATOM 242 CB VAL A 19 3.925 -8.449 2.355 1.00 0.00 C ATOM 243 CG1 VAL A 19 4.906 -9.573 2.653 1.00 0.00 C ATOM 244 CG2 VAL A 19 2.683 -8.985 1.660 1.00 0.00 C ATOM 0 H VAL A 19 3.079 -5.904 2.688 1.00 0.00 H new ATOM 0 HA VAL A 19 2.965 -8.381 4.286 1.00 0.00 H new ATOM 0 HB VAL A 19 4.412 -7.742 1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.165 -10.085 1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.808 -9.159 3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.448 -10.282 3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.973 -9.505 0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.165 -9.678 2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.019 -8.157 1.411 1.00 0.00 H new ATOM 254 N GLU A 20 5.494 -6.283 3.843 1.00 0.00 N ATOM 255 CA GLU A 20 6.728 -5.789 4.444 1.00 0.00 C ATOM 256 C GLU A 20 6.819 -4.270 4.329 1.00 0.00 C ATOM 257 O GLU A 20 6.420 -3.689 3.319 1.00 0.00 O ATOM 258 CB GLU A 20 7.942 -6.436 3.775 1.00 0.00 C ATOM 259 CG GLU A 20 9.271 -5.985 4.358 1.00 0.00 C ATOM 260 CD GLU A 20 10.372 -7.009 4.162 1.00 0.00 C ATOM 261 OE1 GLU A 20 10.844 -7.161 3.016 1.00 0.00 O ATOM 262 OE2 GLU A 20 10.761 -7.659 5.155 1.00 0.00 O ATOM 0 H GLU A 20 5.212 -5.793 2.994 1.00 0.00 H new ATOM 0 HA GLU A 20 6.720 -6.056 5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.863 -7.519 3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.925 -6.205 2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.567 -5.045 3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.148 -5.789 5.423 1.00 0.00 H new ATOM 269 N ILE A 21 7.345 -3.635 5.370 1.00 0.00 N ATOM 270 CA ILE A 21 7.489 -2.184 5.386 1.00 0.00 C ATOM 271 C ILE A 21 8.873 -1.774 5.879 1.00 0.00 C ATOM 272 O ILE A 21 9.117 -1.704 7.083 1.00 0.00 O ATOM 273 CB ILE A 21 6.422 -1.522 6.278 1.00 0.00 C ATOM 274 CG1 ILE A 21 5.022 -1.793 5.722 1.00 0.00 C ATOM 275 CG2 ILE A 21 6.675 -0.026 6.385 1.00 0.00 C ATOM 276 CD1 ILE A 21 3.910 -1.391 6.665 1.00 0.00 C ATOM 0 H ILE A 21 7.679 -4.102 6.213 1.00 0.00 H new ATOM 0 HA ILE A 21 7.356 -1.843 4.359 1.00 0.00 H new ATOM 0 HB ILE A 21 6.486 -1.954 7.277 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.903 -1.255 4.782 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.929 -2.855 5.495 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.913 0.428 7.018 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.659 0.146 6.821 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.635 0.422 5.392 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.946 -1.611 6.206 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.004 -1.948 7.597 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.977 -0.323 6.872 1.00 0.00 H new ATOM 288 N GLN A 22 9.773 -1.504 4.940 1.00 0.00 N ATOM 289 CA GLN A 22 11.132 -1.100 5.279 1.00 0.00 C ATOM 290 C GLN A 22 11.190 0.386 5.617 1.00 0.00 C ATOM 291 O GLN A 22 10.560 1.209 4.951 1.00 0.00 O ATOM 292 CB GLN A 22 12.083 -1.409 4.121 1.00 0.00 C ATOM 293 CG GLN A 22 12.532 -2.861 4.073 1.00 0.00 C ATOM 294 CD GLN A 22 13.412 -3.160 2.877 1.00 0.00 C ATOM 295 OE1 GLN A 22 14.229 -2.333 2.470 1.00 0.00 O ATOM 296 NE2 GLN A 22 13.251 -4.348 2.305 1.00 0.00 N ATOM 0 H GLN A 22 9.586 -1.558 3.939 1.00 0.00 H new ATOM 0 HA GLN A 22 11.444 -1.666 6.157 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.591 -1.158 3.181 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.961 -0.768 4.202 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.075 -3.100 4.987 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.655 -3.508 4.045 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.562 -5.003 2.675 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.816 -4.605 1.496 1.00 0.00 H new ATOM 305 N ILE A 23 11.949 0.723 6.654 1.00 0.00 N ATOM 306 CA ILE A 23 12.089 2.111 7.079 1.00 0.00 C ATOM 307 C ILE A 23 13.534 2.430 7.446 1.00 0.00 C ATOM 308 O ILE A 23 14.071 1.895 8.417 1.00 0.00 O ATOM 309 CB ILE A 23 11.183 2.424 8.284 1.00 0.00 C ATOM 310 CG1 ILE A 23 9.714 2.207 7.916 1.00 0.00 C ATOM 311 CG2 ILE A 23 11.411 3.851 8.760 1.00 0.00 C ATOM 312 CD1 ILE A 23 9.124 3.334 7.098 1.00 0.00 C ATOM 0 H ILE A 23 12.476 0.054 7.216 1.00 0.00 H new ATOM 0 HA ILE A 23 11.786 2.732 6.236 1.00 0.00 H new ATOM 0 HB ILE A 23 11.437 1.745 9.098 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.621 1.276 7.357 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.132 2.089 8.830 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.764 4.058 9.612 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.453 3.973 9.057 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.180 4.545 7.952 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.081 3.113 6.873 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.184 4.264 7.663 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.681 3.438 6.167 1.00 0.00 H new ATOM 437 N LYS A 33 13.545 11.247 5.068 1.00 0.00 N ATOM 438 CA LYS A 33 13.193 9.886 5.454 1.00 0.00 C ATOM 439 C LYS A 33 12.782 9.064 4.237 1.00 0.00 C ATOM 440 O LYS A 33 12.094 9.559 3.344 1.00 0.00 O ATOM 441 CB LYS A 33 12.056 9.902 6.479 1.00 0.00 C ATOM 442 CG LYS A 33 12.085 8.724 7.437 1.00 0.00 C ATOM 443 CD LYS A 33 11.273 9.005 8.690 1.00 0.00 C ATOM 444 CE LYS A 33 12.119 9.670 9.765 1.00 0.00 C ATOM 445 NZ LYS A 33 13.142 8.742 10.320 1.00 0.00 N ATOM 0 HA LYS A 33 14.072 9.424 5.903 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.108 10.827 7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.102 9.907 5.951 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.691 7.838 6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.116 8.503 7.712 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.428 9.647 8.441 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.861 8.072 9.075 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.613 10.547 9.347 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.473 10.021 10.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.435 9.072 11.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.738 7.787 10.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.968 8.718 9.689 1.00 0.00 H new ATOM 459 N VAL A 34 13.207 7.804 4.208 1.00 0.00 N ATOM 460 CA VAL A 34 12.881 6.913 3.101 1.00 0.00 C ATOM 461 C VAL A 34 12.451 5.541 3.609 1.00 0.00 C ATOM 462 O VAL A 34 12.953 5.057 4.623 1.00 0.00 O ATOM 463 CB VAL A 34 14.078 6.743 2.146 1.00 0.00 C ATOM 464 CG1 VAL A 34 14.623 8.099 1.726 1.00 0.00 C ATOM 465 CG2 VAL A 34 15.165 5.902 2.799 1.00 0.00 C ATOM 0 H VAL A 34 13.778 7.378 4.938 1.00 0.00 H new ATOM 0 HA VAL A 34 12.055 7.372 2.558 1.00 0.00 H new ATOM 0 HB VAL A 34 13.736 6.223 1.251 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.468 7.959 1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.842 8.663 1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 34 14.950 8.649 2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 34 16.003 5.792 2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 34 15.506 6.393 3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.766 4.918 3.044 1.00 0.00 H new ATOM 475 N GLY A 35 11.518 4.918 2.896 1.00 0.00 N ATOM 476 CA GLY A 35 11.036 3.607 3.289 1.00 0.00 C ATOM 477 C GLY A 35 10.441 2.835 2.128 1.00 0.00 C ATOM 478 O GLY A 35 10.037 3.423 1.124 1.00 0.00 O ATOM 0 H GLY A 35 11.087 5.298 2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.858 3.035 3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.284 3.719 4.070 1.00 0.00 H new ATOM 482 N LYS A 36 10.387 1.515 2.263 1.00 0.00 N ATOM 483 CA LYS A 36 9.838 0.660 1.218 1.00 0.00 C ATOM 484 C LYS A 36 8.633 -0.122 1.731 1.00 0.00 C ATOM 485 O LYS A 36 8.558 -0.463 2.912 1.00 0.00 O ATOM 486 CB LYS A 36 10.907 -0.308 0.707 1.00 0.00 C ATOM 487 CG LYS A 36 10.725 -0.704 -0.748 1.00 0.00 C ATOM 488 CD LYS A 36 11.365 0.306 -1.685 1.00 0.00 C ATOM 489 CE LYS A 36 11.737 -0.326 -3.017 1.00 0.00 C ATOM 490 NZ LYS A 36 12.911 -1.233 -2.892 1.00 0.00 N ATOM 0 H LYS A 36 10.717 1.013 3.087 1.00 0.00 H new ATOM 0 HA LYS A 36 9.512 1.298 0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.888 0.150 0.830 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.895 -1.207 1.323 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.165 -1.687 -0.916 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.662 -0.788 -0.973 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.677 1.134 -1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.257 0.723 -1.217 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.885 -0.886 -3.404 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.959 0.458 -3.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.311 -1.415 -3.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.632 -0.786 -2.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.611 -2.132 -2.463 1.00 0.00 H new ATOM 504 N LEU A 37 7.692 -0.404 0.836 1.00 0.00 N ATOM 505 CA LEU A 37 6.490 -1.147 1.199 1.00 0.00 C ATOM 506 C LEU A 37 6.146 -2.180 0.130 1.00 0.00 C ATOM 507 O LEU A 37 6.180 -1.888 -1.066 1.00 0.00 O ATOM 508 CB LEU A 37 5.314 -0.189 1.396 1.00 0.00 C ATOM 509 CG LEU A 37 3.922 -0.823 1.379 1.00 0.00 C ATOM 510 CD1 LEU A 37 3.514 -1.252 2.780 1.00 0.00 C ATOM 511 CD2 LEU A 37 2.902 0.145 0.798 1.00 0.00 C ATOM 0 H LEU A 37 7.738 -0.130 -0.145 1.00 0.00 H new ATOM 0 HA LEU A 37 6.684 -1.670 2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.446 0.325 2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.355 0.570 0.615 1.00 0.00 H new ATOM 0 HG LEU A 37 3.955 -1.709 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.521 -1.701 2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.230 -1.981 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.498 -0.382 3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.918 -0.323 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.871 1.049 1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.185 0.403 -0.222 1.00 0.00 H new ATOM 523 N THR A 38 5.811 -3.390 0.569 1.00 0.00 N ATOM 524 CA THR A 38 5.460 -4.466 -0.349 1.00 0.00 C ATOM 525 C THR A 38 4.063 -5.003 -0.057 1.00 0.00 C ATOM 526 O THR A 38 3.773 -5.433 1.060 1.00 0.00 O ATOM 527 CB THR A 38 6.470 -5.625 -0.269 1.00 0.00 C ATOM 528 OG1 THR A 38 7.786 -5.151 -0.577 1.00 0.00 O ATOM 529 CG2 THR A 38 6.090 -6.742 -1.230 1.00 0.00 C ATOM 0 H THR A 38 5.776 -3.649 1.555 1.00 0.00 H new ATOM 0 HA THR A 38 5.482 -4.044 -1.354 1.00 0.00 H new ATOM 0 HB THR A 38 6.455 -6.020 0.747 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.423 -5.894 -0.522 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.818 -7.550 -1.155 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.100 -7.121 -0.974 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.079 -6.357 -2.250 1.00 0.00 H new ATOM 537 N LEU A 39 3.201 -4.975 -1.068 1.00 0.00 N ATOM 538 CA LEU A 39 1.833 -5.461 -0.920 1.00 0.00 C ATOM 539 C LEU A 39 1.601 -6.704 -1.773 1.00 0.00 C ATOM 540 O LEU A 39 1.981 -6.747 -2.943 1.00 0.00 O ATOM 541 CB LEU A 39 0.838 -4.367 -1.311 1.00 0.00 C ATOM 542 CG LEU A 39 0.354 -3.463 -0.176 1.00 0.00 C ATOM 543 CD1 LEU A 39 1.528 -2.983 0.662 1.00 0.00 C ATOM 544 CD2 LEU A 39 -0.425 -2.280 -0.733 1.00 0.00 C ATOM 0 H LEU A 39 3.425 -4.621 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 39 1.679 -5.727 0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.298 -3.741 -2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.031 -4.841 -1.767 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.311 -4.041 0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.164 -2.341 1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.045 -3.842 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.218 -2.421 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.762 -1.647 0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.217 -1.702 -1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.289 -2.643 -1.290 1.00 0.00 H new ATOM 556 N LYS A 40 0.974 -7.713 -1.179 1.00 0.00 N ATOM 557 CA LYS A 40 0.687 -8.957 -1.884 1.00 0.00 C ATOM 558 C LYS A 40 -0.672 -8.890 -2.574 1.00 0.00 C ATOM 559 O LYS A 40 -1.712 -9.075 -1.941 1.00 0.00 O ATOM 560 CB LYS A 40 0.719 -10.138 -0.911 1.00 0.00 C ATOM 561 CG LYS A 40 0.658 -11.492 -1.597 1.00 0.00 C ATOM 562 CD LYS A 40 0.629 -12.627 -0.587 1.00 0.00 C ATOM 563 CE LYS A 40 -0.552 -12.497 0.363 1.00 0.00 C ATOM 564 NZ LYS A 40 -0.205 -11.702 1.574 1.00 0.00 N ATOM 0 H LYS A 40 0.655 -7.694 -0.211 1.00 0.00 H new ATOM 0 HA LYS A 40 1.455 -9.100 -2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.630 -10.083 -0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.120 -10.052 -0.220 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.230 -11.542 -2.228 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.521 -11.608 -2.252 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.572 -13.581 -1.111 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.558 -12.632 -0.016 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.385 -12.023 -0.156 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.887 -13.490 0.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.512 -12.214 2.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.824 -11.556 1.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.685 -10.780 1.533 1.00 0.00 H new ATOM 621 N MET A 44 0.009 -11.896 -7.190 1.00 0.00 N ATOM 622 CA MET A 44 1.007 -10.945 -7.663 1.00 0.00 C ATOM 623 C MET A 44 1.442 -10.008 -6.540 1.00 0.00 C ATOM 624 O MET A 44 0.625 -9.585 -5.723 1.00 0.00 O ATOM 625 CB MET A 44 0.454 -10.132 -8.835 1.00 0.00 C ATOM 626 CG MET A 44 1.013 -8.721 -8.915 1.00 0.00 C ATOM 627 SD MET A 44 0.579 -7.887 -10.453 1.00 0.00 S ATOM 628 CE MET A 44 -0.493 -6.588 -9.843 1.00 0.00 C ATOM 0 HA MET A 44 1.877 -11.509 -8.000 1.00 0.00 H new ATOM 0 HB2 MET A 44 0.676 -10.655 -9.765 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.631 -10.079 -8.750 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.640 -8.138 -8.073 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.098 -8.759 -8.821 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.844 -5.983 -10.679 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.347 -7.031 -9.332 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.059 -5.957 -9.146 1.00 0.00 H new ATOM 638 N GLU A 45 2.732 -9.690 -6.507 1.00 0.00 N ATOM 639 CA GLU A 45 3.273 -8.804 -5.483 1.00 0.00 C ATOM 640 C GLU A 45 3.908 -7.567 -6.113 1.00 0.00 C ATOM 641 O GLU A 45 4.652 -7.666 -7.089 1.00 0.00 O ATOM 642 CB GLU A 45 4.308 -9.544 -4.632 1.00 0.00 C ATOM 643 CG GLU A 45 4.606 -8.862 -3.307 1.00 0.00 C ATOM 644 CD GLU A 45 6.024 -9.109 -2.830 1.00 0.00 C ATOM 645 OE1 GLU A 45 6.923 -8.335 -3.220 1.00 0.00 O ATOM 646 OE2 GLU A 45 6.235 -10.075 -2.068 1.00 0.00 O ATOM 0 H GLU A 45 3.421 -10.032 -7.177 1.00 0.00 H new ATOM 0 HA GLU A 45 2.450 -8.483 -4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.951 -10.555 -4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.234 -9.636 -5.200 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.443 -7.789 -3.410 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.905 -9.220 -2.553 1.00 0.00 H new ATOM 653 N THR A 46 3.607 -6.402 -5.548 1.00 0.00 N ATOM 654 CA THR A 46 4.145 -5.146 -6.054 1.00 0.00 C ATOM 655 C THR A 46 4.827 -4.353 -4.944 1.00 0.00 C ATOM 656 O THR A 46 4.484 -4.491 -3.770 1.00 0.00 O ATOM 657 CB THR A 46 3.042 -4.276 -6.687 1.00 0.00 C ATOM 658 OG1 THR A 46 2.194 -5.084 -7.510 1.00 0.00 O ATOM 659 CG2 THR A 46 3.647 -3.156 -7.519 1.00 0.00 C ATOM 0 H THR A 46 2.993 -6.303 -4.739 1.00 0.00 H new ATOM 0 HA THR A 46 4.879 -5.402 -6.818 1.00 0.00 H new ATOM 0 HB THR A 46 2.453 -3.833 -5.884 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.494 -4.525 -7.907 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.849 -2.555 -7.956 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.269 -2.526 -6.883 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.257 -3.583 -8.315 1.00 0.00 H new ATOM 667 N ILE A 47 5.793 -3.524 -5.324 1.00 0.00 N ATOM 668 CA ILE A 47 6.522 -2.708 -4.361 1.00 0.00 C ATOM 669 C ILE A 47 6.232 -1.225 -4.566 1.00 0.00 C ATOM 670 O ILE A 47 6.141 -0.751 -5.699 1.00 0.00 O ATOM 671 CB ILE A 47 8.041 -2.942 -4.459 1.00 0.00 C ATOM 672 CG1 ILE A 47 8.357 -4.435 -4.351 1.00 0.00 C ATOM 673 CG2 ILE A 47 8.768 -2.162 -3.375 1.00 0.00 C ATOM 674 CD1 ILE A 47 9.685 -4.818 -4.966 1.00 0.00 C ATOM 0 H ILE A 47 6.089 -3.400 -6.292 1.00 0.00 H new ATOM 0 HA ILE A 47 6.181 -3.009 -3.371 1.00 0.00 H new ATOM 0 HB ILE A 47 8.387 -2.586 -5.429 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.356 -4.723 -3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.563 -5.002 -4.838 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.841 -2.338 -3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.564 -1.098 -3.494 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.421 -2.491 -2.395 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.843 -5.891 -4.853 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.683 -4.562 -6.025 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.488 -4.278 -4.464 1.00 0.00 H new ATOM 686 N TYR A 48 6.091 -0.498 -3.464 1.00 0.00 N ATOM 687 CA TYR A 48 5.812 0.932 -3.523 1.00 0.00 C ATOM 688 C TYR A 48 6.889 1.728 -2.792 1.00 0.00 C ATOM 689 O TYR A 48 7.361 1.325 -1.729 1.00 0.00 O ATOM 690 CB TYR A 48 4.441 1.231 -2.914 1.00 0.00 C ATOM 691 CG TYR A 48 3.299 0.544 -3.628 1.00 0.00 C ATOM 692 CD1 TYR A 48 2.646 1.160 -4.689 1.00 0.00 C ATOM 693 CD2 TYR A 48 2.872 -0.721 -3.242 1.00 0.00 C ATOM 694 CE1 TYR A 48 1.601 0.536 -5.344 1.00 0.00 C ATOM 695 CE2 TYR A 48 1.830 -1.352 -3.892 1.00 0.00 C ATOM 696 CZ TYR A 48 1.197 -0.720 -4.942 1.00 0.00 C ATOM 697 OH TYR A 48 0.158 -1.345 -5.591 1.00 0.00 O ATOM 0 H TYR A 48 6.165 -0.875 -2.519 1.00 0.00 H new ATOM 0 HA TYR A 48 5.811 1.233 -4.571 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.442 0.923 -1.868 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.273 2.308 -2.929 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.960 2.143 -5.007 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.364 -1.219 -2.419 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.104 1.029 -6.166 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.512 -2.336 -3.580 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.000 -2.223 -5.186 1.00 0.00 H new ATOM 707 N ASP A 49 7.273 2.861 -3.371 1.00 0.00 N ATOM 708 CA ASP A 49 8.293 3.716 -2.775 1.00 0.00 C ATOM 709 C ASP A 49 7.666 4.726 -1.820 1.00 0.00 C ATOM 710 O ASP A 49 6.571 5.234 -2.068 1.00 0.00 O ATOM 711 CB ASP A 49 9.078 4.446 -3.867 1.00 0.00 C ATOM 712 CG ASP A 49 8.175 5.211 -4.815 1.00 0.00 C ATOM 713 OD1 ASP A 49 7.386 4.564 -5.535 1.00 0.00 O ATOM 714 OD2 ASP A 49 8.257 6.457 -4.836 1.00 0.00 O ATOM 0 H ASP A 49 6.893 3.208 -4.252 1.00 0.00 H new ATOM 0 HA ASP A 49 8.976 3.084 -2.208 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.783 5.137 -3.404 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.666 3.723 -4.433 1.00 0.00 H new ATOM 719 N LEU A 50 8.365 5.013 -0.728 1.00 0.00 N ATOM 720 CA LEU A 50 7.877 5.963 0.266 1.00 0.00 C ATOM 721 C LEU A 50 8.882 7.089 0.484 1.00 0.00 C ATOM 722 O LEU A 50 10.064 6.843 0.720 1.00 0.00 O ATOM 723 CB LEU A 50 7.600 5.248 1.590 1.00 0.00 C ATOM 724 CG LEU A 50 6.917 3.884 1.486 1.00 0.00 C ATOM 725 CD1 LEU A 50 6.923 3.180 2.835 1.00 0.00 C ATOM 726 CD2 LEU A 50 5.494 4.037 0.969 1.00 0.00 C ATOM 0 H LEU A 50 9.272 4.601 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 50 6.949 6.397 -0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.546 5.119 2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.979 5.897 2.207 1.00 0.00 H new ATOM 0 HG LEU A 50 7.476 3.273 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.433 2.211 2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.952 3.036 3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.389 3.788 3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.024 3.056 0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.924 4.666 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.513 4.499 -0.018 1.00 0.00 H new ATOM 738 N GLY A 51 8.402 8.327 0.404 1.00 0.00 N ATOM 739 CA GLY A 51 9.272 9.473 0.596 1.00 0.00 C ATOM 740 C GLY A 51 9.348 9.905 2.047 1.00 0.00 C ATOM 741 O GLY A 51 9.742 9.126 2.916 1.00 0.00 O ATOM 0 H GLY A 51 7.427 8.556 0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.273 9.230 0.239 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.912 10.305 -0.009 1.00 0.00 H new ATOM 745 N THR A 52 8.973 11.152 2.312 1.00 0.00 N ATOM 746 CA THR A 52 9.003 11.688 3.667 1.00 0.00 C ATOM 747 C THR A 52 7.594 11.858 4.223 1.00 0.00 C ATOM 748 O THR A 52 7.321 11.503 5.370 1.00 0.00 O ATOM 749 CB THR A 52 9.730 13.046 3.718 1.00 0.00 C ATOM 750 OG1 THR A 52 11.073 12.900 3.245 1.00 0.00 O ATOM 751 CG2 THR A 52 9.743 13.599 5.135 1.00 0.00 C ATOM 0 H THR A 52 8.645 11.810 1.605 1.00 0.00 H new ATOM 0 HA THR A 52 9.548 10.969 4.279 1.00 0.00 H new ATOM 0 HB THR A 52 9.194 13.745 3.077 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.606 12.422 3.915 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.261 14.558 5.147 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.719 13.736 5.482 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.258 12.900 5.794 1.00 0.00 H new ATOM 759 N LYS A 53 6.701 12.402 3.403 1.00 0.00 N ATOM 760 CA LYS A 53 5.318 12.617 3.812 1.00 0.00 C ATOM 761 C LYS A 53 4.551 11.300 3.852 1.00 0.00 C ATOM 762 O LYS A 53 3.712 11.086 4.726 1.00 0.00 O ATOM 763 CB LYS A 53 4.628 13.592 2.855 1.00 0.00 C ATOM 764 CG LYS A 53 4.828 15.052 3.225 1.00 0.00 C ATOM 765 CD LYS A 53 3.756 15.536 4.187 1.00 0.00 C ATOM 766 CE LYS A 53 2.544 16.077 3.444 1.00 0.00 C ATOM 767 NZ LYS A 53 1.768 14.992 2.782 1.00 0.00 N ATOM 0 H LYS A 53 6.910 12.702 2.451 1.00 0.00 H new ATOM 0 HA LYS A 53 5.324 13.044 4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.006 13.427 1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.560 13.374 2.835 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.811 15.182 3.679 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.810 15.663 2.322 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.450 14.715 4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.167 16.314 4.830 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.899 16.611 4.142 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.870 16.799 2.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.832 15.352 2.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.277 14.669 1.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.653 14.196 3.441 1.00 0.00 H new ATOM 781 N MET A 54 4.846 10.419 2.902 1.00 0.00 N ATOM 782 CA MET A 54 4.186 9.121 2.831 1.00 0.00 C ATOM 783 C MET A 54 4.445 8.310 4.097 1.00 0.00 C ATOM 784 O MET A 54 3.591 7.538 4.535 1.00 0.00 O ATOM 785 CB MET A 54 4.670 8.344 1.606 1.00 0.00 C ATOM 786 CG MET A 54 3.851 8.611 0.354 1.00 0.00 C ATOM 787 SD MET A 54 4.101 7.360 -0.921 1.00 0.00 S ATOM 788 CE MET A 54 2.494 7.354 -1.710 1.00 0.00 C ATOM 0 H MET A 54 5.538 10.581 2.170 1.00 0.00 H new ATOM 0 HA MET A 54 3.113 9.292 2.742 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.711 8.601 1.411 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.642 7.277 1.828 1.00 0.00 H new ATOM 0 HG2 MET A 54 2.794 8.649 0.617 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.115 9.590 -0.046 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.479 6.603 -2.499 1.00 0.00 H new ATOM 0 HE2 MET A 54 1.727 7.120 -0.972 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.296 8.336 -2.140 1.00 0.00 H new ATOM 798 N ILE A 55 5.626 8.490 4.679 1.00 0.00 N ATOM 799 CA ILE A 55 5.995 7.775 5.894 1.00 0.00 C ATOM 800 C ILE A 55 5.263 8.339 7.107 1.00 0.00 C ATOM 801 O ILE A 55 4.805 7.591 7.970 1.00 0.00 O ATOM 802 CB ILE A 55 7.513 7.842 6.147 1.00 0.00 C ATOM 803 CG1 ILE A 55 8.273 7.169 5.002 1.00 0.00 C ATOM 804 CG2 ILE A 55 7.857 7.187 7.476 1.00 0.00 C ATOM 805 CD1 ILE A 55 9.774 7.173 5.189 1.00 0.00 C ATOM 0 H ILE A 55 6.343 9.125 4.329 1.00 0.00 H new ATOM 0 HA ILE A 55 5.705 6.734 5.749 1.00 0.00 H new ATOM 0 HB ILE A 55 7.814 8.889 6.191 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.930 6.139 4.905 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.030 7.676 4.068 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.933 7.242 7.641 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.339 7.706 8.282 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.546 6.143 7.458 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.248 6.680 4.340 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.130 8.201 5.256 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.028 6.641 6.106 1.00 0.00 H new ATOM 817 N GLU A 56 5.156 9.663 7.164 1.00 0.00 N ATOM 818 CA GLU A 56 4.478 10.326 8.272 1.00 0.00 C ATOM 819 C GLU A 56 3.070 9.770 8.460 1.00 0.00 C ATOM 820 O GLU A 56 2.478 9.898 9.532 1.00 0.00 O ATOM 821 CB GLU A 56 4.414 11.836 8.029 1.00 0.00 C ATOM 822 CG GLU A 56 5.684 12.571 8.425 1.00 0.00 C ATOM 823 CD GLU A 56 5.460 14.058 8.619 1.00 0.00 C ATOM 824 OE1 GLU A 56 5.423 14.790 7.608 1.00 0.00 O ATOM 825 OE2 GLU A 56 5.323 14.489 9.783 1.00 0.00 O ATOM 0 H GLU A 56 5.529 10.297 6.457 1.00 0.00 H new ATOM 0 HA GLU A 56 5.049 10.135 9.180 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.214 12.017 6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.575 12.250 8.588 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.075 12.143 9.348 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.442 12.419 7.657 1.00 0.00 H new ATOM 832 N SER A 57 2.538 9.153 7.409 1.00 0.00 N ATOM 833 CA SER A 57 1.198 8.581 7.456 1.00 0.00 C ATOM 834 C SER A 57 1.227 7.176 8.051 1.00 0.00 C ATOM 835 O SER A 57 0.409 6.835 8.906 1.00 0.00 O ATOM 836 CB SER A 57 0.589 8.540 6.053 1.00 0.00 C ATOM 837 OG SER A 57 -0.826 8.495 6.113 1.00 0.00 O ATOM 0 H SER A 57 3.015 9.037 6.515 1.00 0.00 H new ATOM 0 HA SER A 57 0.582 9.214 8.094 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.905 9.419 5.490 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.961 7.667 5.517 1.00 0.00 H new ATOM 0 HG SER A 57 -1.153 7.748 5.570 1.00 0.00 H new ATOM 843 N LEU A 58 2.175 6.366 7.593 1.00 0.00 N ATOM 844 CA LEU A 58 2.313 4.998 8.079 1.00 0.00 C ATOM 845 C LEU A 58 2.512 4.975 9.591 1.00 0.00 C ATOM 846 O LEU A 58 2.142 4.011 10.263 1.00 0.00 O ATOM 847 CB LEU A 58 3.489 4.306 7.388 1.00 0.00 C ATOM 848 CG LEU A 58 3.390 4.174 5.868 1.00 0.00 C ATOM 849 CD1 LEU A 58 4.129 2.933 5.391 1.00 0.00 C ATOM 850 CD2 LEU A 58 1.934 4.131 5.429 1.00 0.00 C ATOM 0 H LEU A 58 2.860 6.633 6.886 1.00 0.00 H new ATOM 0 HA LEU A 58 1.394 4.461 7.843 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.399 4.856 7.627 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.599 3.308 7.813 1.00 0.00 H new ATOM 0 HG LEU A 58 3.859 5.048 5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.048 2.855 4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.180 3.005 5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.690 2.048 5.852 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.884 4.037 4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.440 3.276 5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.434 5.049 5.737 1.00 0.00 H new ATOM 862 N THR A 59 3.097 6.044 10.123 1.00 0.00 N ATOM 863 CA THR A 59 3.345 6.147 11.555 1.00 0.00 C ATOM 864 C THR A 59 2.077 6.540 12.305 1.00 0.00 C ATOM 865 O THR A 59 1.735 5.942 13.325 1.00 0.00 O ATOM 866 CB THR A 59 4.450 7.175 11.862 1.00 0.00 C ATOM 867 OG1 THR A 59 4.006 8.491 11.511 1.00 0.00 O ATOM 868 CG2 THR A 59 5.724 6.844 11.100 1.00 0.00 C ATOM 0 H THR A 59 3.408 6.851 9.582 1.00 0.00 H new ATOM 0 HA THR A 59 3.672 5.163 11.891 1.00 0.00 H new ATOM 0 HB THR A 59 4.664 7.137 12.930 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.543 8.461 10.648 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.490 7.584 11.333 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.075 5.854 11.391 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.521 6.857 10.029 1.00 0.00 H new ATOM 876 N LYS A 60 1.382 7.551 11.793 1.00 0.00 N ATOM 877 CA LYS A 60 0.150 8.024 12.413 1.00 0.00 C ATOM 878 C LYS A 60 -0.793 6.862 12.706 1.00 0.00 C ATOM 879 O LYS A 60 -1.254 6.694 13.834 1.00 0.00 O ATOM 880 CB LYS A 60 -0.543 9.042 11.505 1.00 0.00 C ATOM 881 CG LYS A 60 -1.365 10.071 12.261 1.00 0.00 C ATOM 882 CD LYS A 60 -0.518 11.259 12.684 1.00 0.00 C ATOM 883 CE LYS A 60 -1.348 12.530 12.780 1.00 0.00 C ATOM 884 NZ LYS A 60 -2.338 12.463 13.890 1.00 0.00 N ATOM 0 H LYS A 60 1.651 8.058 10.950 1.00 0.00 H new ATOM 0 HA LYS A 60 0.408 8.505 13.357 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.211 9.558 10.910 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.192 8.512 10.808 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.187 10.414 11.633 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.809 9.607 13.142 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.055 11.052 13.649 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.290 11.404 11.967 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.688 13.384 12.933 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.870 12.695 11.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.884 13.348 13.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.984 11.663 13.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.839 12.331 14.793 1.00 0.00 H new ATOM 898 N ASP A 61 -1.074 6.062 11.683 1.00 0.00 N ATOM 899 CA ASP A 61 -1.961 4.914 11.831 1.00 0.00 C ATOM 900 C ASP A 61 -1.178 3.674 12.252 1.00 0.00 C ATOM 901 O ASP A 61 -1.745 2.593 12.413 1.00 0.00 O ATOM 902 CB ASP A 61 -2.703 4.643 10.521 1.00 0.00 C ATOM 903 CG ASP A 61 -4.011 5.404 10.429 1.00 0.00 C ATOM 904 OD1 ASP A 61 -4.774 5.393 11.418 1.00 0.00 O ATOM 905 OD2 ASP A 61 -4.273 6.008 9.368 1.00 0.00 O ATOM 0 H ASP A 61 -0.700 6.187 10.742 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.688 5.145 12.610 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.065 4.920 9.682 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.900 3.575 10.433 1.00 0.00 H new ATOM 910 N LYS A 62 0.129 3.837 12.429 1.00 0.00 N ATOM 911 CA LYS A 62 0.991 2.733 12.832 1.00 0.00 C ATOM 912 C LYS A 62 0.777 1.520 11.931 1.00 0.00 C ATOM 913 O LYS A 62 0.755 0.382 12.401 1.00 0.00 O ATOM 914 CB LYS A 62 0.720 2.353 14.289 1.00 0.00 C ATOM 915 CG LYS A 62 1.279 3.348 15.291 1.00 0.00 C ATOM 916 CD LYS A 62 2.796 3.287 15.350 1.00 0.00 C ATOM 917 CE LYS A 62 3.356 4.291 16.347 1.00 0.00 C ATOM 918 NZ LYS A 62 3.080 3.887 17.754 1.00 0.00 N ATOM 0 H LYS A 62 0.615 4.725 12.299 1.00 0.00 H new ATOM 0 HA LYS A 62 2.027 3.059 12.735 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.356 2.265 14.439 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.151 1.371 14.486 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.965 4.356 15.019 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.867 3.142 16.279 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.110 2.281 15.629 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.208 3.486 14.361 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.432 4.387 16.201 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.920 5.272 16.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.549 4.550 18.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.054 3.902 17.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.444 2.926 17.917 1.00 0.00 H new ATOM 932 N VAL A 63 0.623 1.771 10.635 1.00 0.00 N ATOM 933 CA VAL A 63 0.414 0.699 9.669 1.00 0.00 C ATOM 934 C VAL A 63 1.400 -0.442 9.893 1.00 0.00 C ATOM 935 O VAL A 63 2.607 -0.223 9.988 1.00 0.00 O ATOM 936 CB VAL A 63 0.559 1.211 8.223 1.00 0.00 C ATOM 937 CG1 VAL A 63 0.484 0.055 7.237 1.00 0.00 C ATOM 938 CG2 VAL A 63 -0.508 2.252 7.918 1.00 0.00 C ATOM 0 H VAL A 63 0.639 2.707 10.230 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.602 0.332 9.817 1.00 0.00 H new ATOM 0 HB VAL A 63 1.536 1.683 8.119 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.588 0.436 6.221 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.287 -0.652 7.444 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.477 -0.448 7.339 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.391 2.603 6.893 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.496 1.807 8.039 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.403 3.093 8.604 1.00 0.00 H new ATOM 948 N GLN A 64 0.876 -1.661 9.975 1.00 0.00 N ATOM 949 CA GLN A 64 1.711 -2.838 10.188 1.00 0.00 C ATOM 950 C GLN A 64 1.385 -3.927 9.172 1.00 0.00 C ATOM 951 O GLN A 64 0.347 -3.884 8.512 1.00 0.00 O ATOM 952 CB GLN A 64 1.520 -3.374 11.608 1.00 0.00 C ATOM 953 CG GLN A 64 2.155 -2.501 12.678 1.00 0.00 C ATOM 954 CD GLN A 64 2.587 -3.293 13.897 1.00 0.00 C ATOM 955 OE1 GLN A 64 2.209 -4.453 14.063 1.00 0.00 O ATOM 956 NE2 GLN A 64 3.383 -2.669 14.757 1.00 0.00 N ATOM 0 H GLN A 64 -0.121 -1.859 9.897 1.00 0.00 H new ATOM 0 HA GLN A 64 2.752 -2.543 10.056 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.453 -3.466 11.812 1.00 0.00 H new ATOM 0 HB3 GLN A 64 1.944 -4.376 11.669 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.020 -1.988 12.257 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.445 -1.732 12.982 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.671 -1.707 14.579 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.706 -3.152 15.595 1.00 0.00 H new ATOM 965 N ALA A 65 2.279 -4.903 9.051 1.00 0.00 N ATOM 966 CA ALA A 65 2.086 -6.005 8.116 1.00 0.00 C ATOM 967 C ALA A 65 0.825 -6.795 8.453 1.00 0.00 C ATOM 968 O ALA A 65 0.568 -7.106 9.615 1.00 0.00 O ATOM 969 CB ALA A 65 3.301 -6.920 8.120 1.00 0.00 C ATOM 0 H ALA A 65 3.144 -4.953 9.589 1.00 0.00 H new ATOM 0 HA ALA A 65 1.965 -5.585 7.117 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.143 -7.738 7.417 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.184 -6.354 7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.448 -7.325 9.121 1.00 0.00 H new ATOM 975 N GLY A 66 0.043 -7.117 7.427 1.00 0.00 N ATOM 976 CA GLY A 66 -1.182 -7.867 7.635 1.00 0.00 C ATOM 977 C GLY A 66 -2.420 -7.064 7.288 1.00 0.00 C ATOM 978 O GLY A 66 -3.371 -7.595 6.713 1.00 0.00 O ATOM 0 H GLY A 66 0.236 -6.872 6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.158 -8.772 7.028 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.238 -8.183 8.677 1.00 0.00 H new ATOM 982 N ASP A 67 -2.410 -5.783 7.639 1.00 0.00 N ATOM 983 CA ASP A 67 -3.541 -4.906 7.362 1.00 0.00 C ATOM 984 C ASP A 67 -3.480 -4.376 5.932 1.00 0.00 C ATOM 985 O ASP A 67 -2.402 -4.095 5.409 1.00 0.00 O ATOM 986 CB ASP A 67 -3.564 -3.739 8.351 1.00 0.00 C ATOM 987 CG ASP A 67 -4.158 -4.128 9.690 1.00 0.00 C ATOM 988 OD1 ASP A 67 -5.320 -4.585 9.715 1.00 0.00 O ATOM 989 OD2 ASP A 67 -3.460 -3.976 10.715 1.00 0.00 O ATOM 0 H ASP A 67 -1.631 -5.329 8.116 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.456 -5.487 7.477 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.548 -3.372 8.500 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.140 -2.917 7.926 1.00 0.00 H new ATOM 994 N VAL A 68 -4.645 -4.242 5.306 1.00 0.00 N ATOM 995 CA VAL A 68 -4.724 -3.746 3.937 1.00 0.00 C ATOM 996 C VAL A 68 -4.809 -2.224 3.908 1.00 0.00 C ATOM 997 O VAL A 68 -5.804 -1.640 4.338 1.00 0.00 O ATOM 998 CB VAL A 68 -5.942 -4.332 3.197 1.00 0.00 C ATOM 999 CG1 VAL A 68 -6.086 -3.698 1.822 1.00 0.00 C ATOM 1000 CG2 VAL A 68 -5.821 -5.844 3.087 1.00 0.00 C ATOM 0 H VAL A 68 -5.547 -4.470 5.725 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.813 -4.066 3.431 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.840 -4.104 3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.951 -4.124 1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.222 -2.622 1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.188 -3.893 1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.690 -6.241 2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.916 -6.097 2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.771 -6.279 4.085 1.00 0.00 H new ATOM 1010 N ILE A 69 -3.760 -1.588 3.398 1.00 0.00 N ATOM 1011 CA ILE A 69 -3.718 -0.134 3.312 1.00 0.00 C ATOM 1012 C ILE A 69 -3.772 0.333 1.861 1.00 0.00 C ATOM 1013 O ILE A 69 -3.235 -0.321 0.966 1.00 0.00 O ATOM 1014 CB ILE A 69 -2.447 0.433 3.974 1.00 0.00 C ATOM 1015 CG1 ILE A 69 -1.209 0.056 3.157 1.00 0.00 C ATOM 1016 CG2 ILE A 69 -2.322 -0.078 5.401 1.00 0.00 C ATOM 1017 CD1 ILE A 69 -0.842 1.084 2.109 1.00 0.00 C ATOM 0 H ILE A 69 -2.928 -2.057 3.038 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.593 0.239 3.844 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.523 1.520 4.003 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.365 -0.080 3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.384 -0.903 2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.420 0.331 5.856 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.193 0.235 5.977 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.264 -1.166 5.394 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.044 0.752 1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.670 1.203 1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.635 2.039 2.593 1.00 0.00 H new ATOM 1029 N THR A 70 -4.424 1.469 1.634 1.00 0.00 N ATOM 1030 CA THR A 70 -4.548 2.024 0.293 1.00 0.00 C ATOM 1031 C THR A 70 -3.515 3.119 0.052 1.00 0.00 C ATOM 1032 O THR A 70 -2.923 3.644 0.995 1.00 0.00 O ATOM 1033 CB THR A 70 -5.956 2.602 0.052 1.00 0.00 C ATOM 1034 OG1 THR A 70 -6.356 3.400 1.172 1.00 0.00 O ATOM 1035 CG2 THR A 70 -6.967 1.487 -0.170 1.00 0.00 C ATOM 0 H THR A 70 -4.874 2.023 2.363 1.00 0.00 H new ATOM 0 HA THR A 70 -4.374 1.204 -0.404 1.00 0.00 H new ATOM 0 HB THR A 70 -5.922 3.224 -0.843 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.251 3.765 1.011 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.954 1.919 -0.338 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.675 0.899 -1.040 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.998 0.843 0.709 1.00 0.00 H new ATOM 1043 N ILE A 71 -3.303 3.458 -1.215 1.00 0.00 N ATOM 1044 CA ILE A 71 -2.341 4.491 -1.578 1.00 0.00 C ATOM 1045 C ILE A 71 -2.914 5.427 -2.637 1.00 0.00 C ATOM 1046 O ILE A 71 -3.044 5.056 -3.804 1.00 0.00 O ATOM 1047 CB ILE A 71 -1.029 3.880 -2.105 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -0.325 3.096 -0.996 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -0.119 4.969 -2.652 1.00 0.00 C ATOM 1050 CD1 ILE A 71 0.494 1.931 -1.506 1.00 0.00 C ATOM 0 H ILE A 71 -3.784 3.032 -2.007 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.129 5.057 -0.671 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.266 3.192 -2.916 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.326 3.772 -0.441 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.072 2.725 -0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.804 4.521 -3.020 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.622 5.487 -3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.114 5.680 -1.860 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.964 1.421 -0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.155 1.234 -2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.264 2.297 -2.185 1.00 0.00 H new ATOM 1062 N ASP A 72 -3.253 6.643 -2.222 1.00 0.00 N ATOM 1063 CA ASP A 72 -3.810 7.634 -3.136 1.00 0.00 C ATOM 1064 C ASP A 72 -2.701 8.357 -3.894 1.00 0.00 C ATOM 1065 O ASP A 72 -1.980 9.179 -3.328 1.00 0.00 O ATOM 1066 CB ASP A 72 -4.662 8.646 -2.367 1.00 0.00 C ATOM 1067 CG ASP A 72 -5.807 9.188 -3.199 1.00 0.00 C ATOM 1068 OD1 ASP A 72 -5.539 9.773 -4.269 1.00 0.00 O ATOM 1069 OD2 ASP A 72 -6.972 9.027 -2.779 1.00 0.00 O ATOM 0 H ASP A 72 -3.152 6.966 -1.260 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.440 7.114 -3.858 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.061 8.173 -1.469 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.032 9.473 -2.039 1.00 0.00 H new ATOM 1074 N LYS A 73 -2.569 8.045 -5.179 1.00 0.00 N ATOM 1075 CA LYS A 73 -1.549 8.664 -6.017 1.00 0.00 C ATOM 1076 C LYS A 73 -1.935 10.094 -6.378 1.00 0.00 C ATOM 1077 O LYS A 73 -1.079 10.973 -6.476 1.00 0.00 O ATOM 1078 CB LYS A 73 -1.340 7.843 -7.292 1.00 0.00 C ATOM 1079 CG LYS A 73 -0.404 6.662 -7.108 1.00 0.00 C ATOM 1080 CD LYS A 73 0.169 6.192 -8.435 1.00 0.00 C ATOM 1081 CE LYS A 73 1.556 5.593 -8.262 1.00 0.00 C ATOM 1082 NZ LYS A 73 1.499 4.128 -8.003 1.00 0.00 N ATOM 0 H LYS A 73 -3.157 7.366 -5.663 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.617 8.690 -5.452 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.306 7.479 -7.642 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.942 8.493 -8.072 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.409 6.942 -6.438 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.941 5.842 -6.632 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.496 5.450 -8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.218 7.031 -9.129 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.147 5.781 -9.158 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.065 6.088 -7.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.463 3.760 -7.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.942 3.949 -7.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.052 3.650 -8.811 1.00 0.00 H new ATOM 1096 N ALA A 74 -3.230 10.321 -6.573 1.00 0.00 N ATOM 1097 CA ALA A 74 -3.730 11.646 -6.919 1.00 0.00 C ATOM 1098 C ALA A 74 -3.499 12.635 -5.782 1.00 0.00 C ATOM 1099 O ALA A 74 -3.321 13.831 -6.011 1.00 0.00 O ATOM 1100 CB ALA A 74 -5.209 11.577 -7.269 1.00 0.00 C ATOM 0 H ALA A 74 -3.952 9.604 -6.497 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.178 11.999 -7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.569 12.573 -7.525 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.351 10.910 -8.119 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.768 11.198 -6.413 1.00 0.00 H new ATOM 1106 N THR A 75 -3.504 12.127 -4.553 1.00 0.00 N ATOM 1107 CA THR A 75 -3.298 12.966 -3.379 1.00 0.00 C ATOM 1108 C THR A 75 -1.987 12.621 -2.681 1.00 0.00 C ATOM 1109 O THR A 75 -1.541 13.339 -1.787 1.00 0.00 O ATOM 1110 CB THR A 75 -4.455 12.820 -2.373 1.00 0.00 C ATOM 1111 OG1 THR A 75 -4.273 11.639 -1.584 1.00 0.00 O ATOM 1112 CG2 THR A 75 -5.793 12.754 -3.094 1.00 0.00 C ATOM 0 H THR A 75 -3.648 11.139 -4.345 1.00 0.00 H new ATOM 0 HA THR A 75 -3.260 13.997 -3.730 1.00 0.00 H new ATOM 0 HB THR A 75 -4.454 13.694 -1.722 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.129 11.377 -1.186 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.595 12.651 -2.363 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.942 13.668 -3.670 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.802 11.896 -3.766 1.00 0.00 H new ATOM 1120 N GLY A 76 -1.373 11.517 -3.096 1.00 0.00 N ATOM 1121 CA GLY A 76 -0.118 11.097 -2.500 1.00 0.00 C ATOM 1122 C GLY A 76 -0.248 10.815 -1.016 1.00 0.00 C ATOM 1123 O GLY A 76 0.624 11.183 -0.228 1.00 0.00 O ATOM 0 H GLY A 76 -1.722 10.906 -3.834 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.240 10.201 -3.007 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.632 11.872 -2.655 1.00 0.00 H new ATOM 1127 N LYS A 77 -1.339 10.161 -0.633 1.00 0.00 N ATOM 1128 CA LYS A 77 -1.581 9.829 0.767 1.00 0.00 C ATOM 1129 C LYS A 77 -1.711 8.321 0.953 1.00 0.00 C ATOM 1130 O LYS A 77 -2.011 7.593 0.007 1.00 0.00 O ATOM 1131 CB LYS A 77 -2.848 10.527 1.266 1.00 0.00 C ATOM 1132 CG LYS A 77 -4.117 9.730 1.023 1.00 0.00 C ATOM 1133 CD LYS A 77 -4.485 8.885 2.231 1.00 0.00 C ATOM 1134 CE LYS A 77 -5.399 9.640 3.183 1.00 0.00 C ATOM 1135 NZ LYS A 77 -6.837 9.409 2.871 1.00 0.00 N ATOM 0 H LYS A 77 -2.070 9.850 -1.272 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.729 10.177 1.350 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.749 10.720 2.334 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.937 11.495 0.774 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.936 10.411 0.791 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.982 9.085 0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.978 7.971 1.900 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.578 8.586 2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -5.195 9.327 4.207 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -5.182 10.707 3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.428 9.941 3.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.038 9.730 1.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.051 8.394 2.950 1.00 0.00 H new ATOM 1149 N ILE A 78 -1.485 7.860 2.179 1.00 0.00 N ATOM 1150 CA ILE A 78 -1.581 6.439 2.489 1.00 0.00 C ATOM 1151 C ILE A 78 -2.568 6.189 3.624 1.00 0.00 C ATOM 1152 O ILE A 78 -2.353 6.625 4.755 1.00 0.00 O ATOM 1153 CB ILE A 78 -0.210 5.854 2.878 1.00 0.00 C ATOM 1154 CG1 ILE A 78 0.747 5.902 1.685 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -0.366 4.427 3.381 1.00 0.00 C ATOM 1156 CD1 ILE A 78 2.196 5.693 2.063 1.00 0.00 C ATOM 0 H ILE A 78 -1.234 8.449 2.973 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.936 5.942 1.586 1.00 0.00 H new ATOM 0 HB ILE A 78 0.211 6.458 3.682 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.454 5.139 0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.645 6.866 1.187 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.611 4.028 3.652 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.016 4.419 4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.805 3.811 2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.816 5.740 1.168 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.506 6.471 2.760 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.312 4.717 2.534 1.00 0.00 H new ATOM 1168 N SER A 79 -3.650 5.482 3.315 1.00 0.00 N ATOM 1169 CA SER A 79 -4.672 5.175 4.309 1.00 0.00 C ATOM 1170 C SER A 79 -4.653 3.692 4.667 1.00 0.00 C ATOM 1171 O SER A 79 -4.269 2.849 3.856 1.00 0.00 O ATOM 1172 CB SER A 79 -6.056 5.567 3.786 1.00 0.00 C ATOM 1173 OG SER A 79 -6.925 5.910 4.852 1.00 0.00 O ATOM 0 H SER A 79 -3.842 5.111 2.384 1.00 0.00 H new ATOM 0 HA SER A 79 -4.454 5.751 5.208 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.964 6.410 3.102 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.481 4.740 3.218 1.00 0.00 H new ATOM 0 HG SER A 79 -7.802 6.158 4.492 1.00 0.00 H new ATOM 1179 N LYS A 80 -5.072 3.380 5.889 1.00 0.00 N ATOM 1180 CA LYS A 80 -5.105 1.999 6.357 1.00 0.00 C ATOM 1181 C LYS A 80 -6.542 1.502 6.484 1.00 0.00 C ATOM 1182 O LYS A 80 -7.426 2.235 6.929 1.00 0.00 O ATOM 1183 CB LYS A 80 -4.392 1.879 7.706 1.00 0.00 C ATOM 1184 CG LYS A 80 -4.470 0.489 8.314 1.00 0.00 C ATOM 1185 CD LYS A 80 -4.183 0.516 9.806 1.00 0.00 C ATOM 1186 CE LYS A 80 -5.375 1.040 10.593 1.00 0.00 C ATOM 1187 NZ LYS A 80 -6.472 0.036 10.671 1.00 0.00 N ATOM 0 H LYS A 80 -5.393 4.065 6.573 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.588 1.380 5.623 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.345 2.153 7.579 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.827 2.596 8.402 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.461 0.070 8.141 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.756 -0.167 7.817 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.933 -0.488 10.148 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.313 1.144 9.999 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.056 1.308 11.600 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.748 1.950 10.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.173 0.342 11.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.930 -0.051 9.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.080 -0.886 10.951 1.00 0.00 H new ATOM 1201 N LEU A 81 -6.767 0.253 6.092 1.00 0.00 N ATOM 1202 CA LEU A 81 -8.097 -0.343 6.163 1.00 0.00 C ATOM 1203 C LEU A 81 -8.069 -1.642 6.961 1.00 0.00 C ATOM 1204 O LEU A 81 -7.019 -2.262 7.121 1.00 0.00 O ATOM 1205 CB LEU A 81 -8.635 -0.606 4.756 1.00 0.00 C ATOM 1206 CG LEU A 81 -8.141 0.339 3.660 1.00 0.00 C ATOM 1207 CD1 LEU A 81 -8.634 -0.120 2.297 1.00 0.00 C ATOM 1208 CD2 LEU A 81 -8.595 1.764 3.941 1.00 0.00 C ATOM 0 H LEU A 81 -6.046 -0.367 5.722 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.757 0.360 6.672 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.373 -1.626 4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.723 -0.554 4.789 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.051 0.320 3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.272 0.565 1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.260 -1.123 2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.724 -0.131 2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.235 2.423 3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.684 1.799 3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.192 2.092 4.899 1.00 0.00 H new