USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 550 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 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.231 K(o=-0.23,f=-0.79) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -1.69 K(o=-1.7,f=-3.6!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 131:sc= 1.15 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -150:sc= -0.267 (180deg=-0.488) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 163:sc= 0 (180deg=-0.161) USER MOD Single : A 95 THR OG1 : rot -130:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -1.92 K(o=-1.9,f=-4!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 189 N LYS A 14 1.621 -17.899 9.394 1.00 0.34 N ATOM 190 CA LYS A 14 0.354 -17.623 8.718 1.00 60.10 C ATOM 191 C LYS A 14 0.629 -16.861 7.437 1.00 11.41 C ATOM 192 O LYS A 14 0.254 -17.307 6.356 1.00 3.05 O ATOM 193 CB LYS A 14 -0.617 -16.839 9.622 1.00 13.21 C ATOM 194 CG LYS A 14 -2.076 -17.236 9.380 1.00 43.43 C ATOM 195 CD LYS A 14 -2.448 -18.592 10.008 1.00 11.03 C ATOM 196 CE LYS A 14 -3.203 -19.522 9.051 1.00 51.14 C ATOM 197 NZ LYS A 14 -2.317 -20.188 8.078 1.00 3.03 N ATOM 0 HA LYS A 14 -0.128 -18.572 8.483 1.00 60.10 H new ATOM 0 HB2 LYS A 14 -0.362 -17.016 10.667 1.00 13.21 H new ATOM 0 HB3 LYS A 14 -0.498 -15.771 9.441 1.00 13.21 H new ATOM 0 HG2 LYS A 14 -2.728 -16.463 9.787 1.00 43.43 H new ATOM 0 HG3 LYS A 14 -2.261 -17.277 8.307 1.00 43.43 H new ATOM 0 HD2 LYS A 14 -1.538 -19.090 10.344 1.00 11.03 H new ATOM 0 HD3 LYS A 14 -3.061 -18.418 10.892 1.00 11.03 H new ATOM 0 HE2 LYS A 14 -3.732 -20.279 9.630 1.00 51.14 H new ATOM 0 HE3 LYS A 14 -3.957 -18.947 8.514 1.00 51.14 H new ATOM 0 HZ1 LYS A 14 -2.882 -20.803 7.458 1.00 3.03 H new ATOM 0 HZ2 LYS A 14 -1.831 -19.470 7.503 1.00 3.03 H new ATOM 0 HZ3 LYS A 14 -1.613 -20.761 8.585 1.00 3.03 H new ATOM 207 N PHE A 15 1.332 -15.739 7.554 1.00 33.22 N ATOM 208 CA PHE A 15 1.660 -14.920 6.405 1.00 15.15 C ATOM 209 C PHE A 15 2.679 -15.613 5.488 1.00 4.43 C ATOM 210 O PHE A 15 2.679 -15.360 4.284 1.00 54.10 O ATOM 211 CB PHE A 15 2.164 -13.573 6.922 1.00 33.35 C ATOM 212 CG PHE A 15 1.202 -12.878 7.877 1.00 2.21 C ATOM 213 CD1 PHE A 15 -0.072 -12.471 7.438 1.00 24.44 C ATOM 214 CD2 PHE A 15 1.558 -12.672 9.222 1.00 0.25 C ATOM 215 CE1 PHE A 15 -0.980 -11.874 8.329 1.00 4.33 C ATOM 216 CE2 PHE A 15 0.660 -12.057 10.111 1.00 55.21 C ATOM 217 CZ PHE A 15 -0.614 -11.665 9.669 1.00 23.54 C ATOM 0 H PHE A 15 1.685 -15.379 8.441 1.00 33.22 H new ATOM 0 HA PHE A 15 0.775 -14.764 5.788 1.00 15.15 H new ATOM 0 HB2 PHE A 15 3.118 -13.723 7.428 1.00 33.35 H new ATOM 0 HB3 PHE A 15 2.354 -12.917 6.072 1.00 33.35 H new ATOM 0 HD1 PHE A 15 -0.354 -12.619 6.406 1.00 24.44 H new ATOM 0 HD2 PHE A 15 2.529 -12.989 9.574 1.00 0.25 H new ATOM 0 HE1 PHE A 15 -1.959 -11.576 7.984 1.00 4.33 H new ATOM 0 HE2 PHE A 15 0.950 -11.885 11.137 1.00 55.21 H new ATOM 0 HZ PHE A 15 -1.309 -11.205 10.356 1.00 23.54 H new ATOM 226 N ALA A 16 3.521 -16.506 6.019 1.00 2.24 N ATOM 227 CA ALA A 16 4.483 -17.277 5.229 1.00 53.23 C ATOM 228 C ALA A 16 3.801 -18.340 4.348 1.00 74.22 C ATOM 229 O ALA A 16 4.362 -18.766 3.341 1.00 3.33 O ATOM 230 CB ALA A 16 5.479 -17.946 6.180 1.00 22.22 C ATOM 0 H ALA A 16 3.553 -16.715 7.017 1.00 2.24 H new ATOM 0 HA ALA A 16 4.997 -16.590 4.556 1.00 53.23 H new ATOM 0 HB1 ALA A 16 6.201 -18.524 5.603 1.00 22.22 H new ATOM 0 HB2 ALA A 16 6.002 -17.182 6.755 1.00 22.22 H new ATOM 0 HB3 ALA A 16 4.944 -18.609 6.860 1.00 22.22 H new ATOM 236 N HIS A 17 2.582 -18.752 4.705 1.00 35.23 N ATOM 237 CA HIS A 17 1.735 -19.661 3.943 1.00 55.00 C ATOM 238 C HIS A 17 0.661 -18.883 3.164 1.00 24.51 C ATOM 239 O HIS A 17 -0.429 -19.397 2.922 1.00 61.12 O ATOM 240 CB HIS A 17 1.128 -20.712 4.882 1.00 23.25 C ATOM 241 CG HIS A 17 2.112 -21.688 5.470 1.00 1.05 C ATOM 242 ND1 HIS A 17 2.839 -22.640 4.784 1.00 73.13 N ATOM 243 CD2 HIS A 17 2.331 -21.878 6.807 1.00 61.42 C ATOM 244 CE1 HIS A 17 3.463 -23.400 5.699 1.00 14.41 C ATOM 245 NE2 HIS A 17 3.171 -22.984 6.945 1.00 24.21 N ATOM 0 H HIS A 17 2.143 -18.445 5.573 1.00 35.23 H new ATOM 0 HA HIS A 17 2.339 -20.185 3.203 1.00 55.00 H new ATOM 0 HB2 HIS A 17 0.619 -20.198 5.697 1.00 23.25 H new ATOM 0 HB3 HIS A 17 0.369 -21.271 4.334 1.00 23.25 H new ATOM 0 HD2 HIS A 17 1.927 -21.280 7.611 1.00 61.42 H new ATOM 0 HE1 HIS A 17 4.111 -24.232 5.466 1.00 14.41 H new ATOM 0 HE2 HIS A 17 3.499 -23.396 7.819 1.00 24.21 H new ATOM 252 N ASP A 18 0.965 -17.646 2.768 1.00 71.22 N ATOM 253 CA ASP A 18 0.137 -16.782 1.923 1.00 13.45 C ATOM 254 C ASP A 18 -1.292 -16.561 2.442 1.00 11.01 C ATOM 255 O ASP A 18 -1.554 -16.706 3.640 1.00 4.11 O ATOM 256 CB ASP A 18 0.292 -17.143 0.424 1.00 21.44 C ATOM 257 CG ASP A 18 -0.874 -17.888 -0.247 1.00 14.13 C ATOM 258 OD1 ASP A 18 -0.951 -19.132 -0.142 1.00 72.13 O ATOM 259 OD2 ASP A 18 -1.679 -17.182 -0.907 1.00 55.43 O ATOM 0 H ASP A 18 1.839 -17.197 3.041 1.00 71.22 H new ATOM 0 HA ASP A 18 0.532 -15.769 2.002 1.00 13.45 H new ATOM 0 HB2 ASP A 18 0.465 -16.220 -0.129 1.00 21.44 H new ATOM 0 HB3 ASP A 18 1.189 -17.753 0.315 1.00 21.44 H new ATOM 263 N ALA A 19 -2.181 -16.078 1.571 1.00 21.12 N ATOM 264 CA ALA A 19 -3.606 -15.847 1.743 1.00 0.34 C ATOM 265 C ALA A 19 -3.875 -14.691 2.709 1.00 61.52 C ATOM 266 O ALA A 19 -4.227 -13.604 2.255 1.00 53.00 O ATOM 267 CB ALA A 19 -4.304 -17.172 2.064 1.00 54.21 C ATOM 0 H ALA A 19 -1.883 -15.814 0.632 1.00 21.12 H new ATOM 0 HA ALA A 19 -4.055 -15.501 0.812 1.00 0.34 H new ATOM 0 HB1 ALA A 19 -5.372 -16.999 2.193 1.00 54.21 H new ATOM 0 HB2 ALA A 19 -4.147 -17.874 1.245 1.00 54.21 H new ATOM 0 HB3 ALA A 19 -3.890 -17.588 2.983 1.00 54.21 H new ATOM 273 N GLU A 20 -3.596 -14.866 3.997 1.00 11.44 N ATOM 274 CA GLU A 20 -3.646 -13.803 5.000 1.00 75.33 C ATOM 275 C GLU A 20 -2.685 -12.677 4.608 1.00 4.31 C ATOM 276 O GLU A 20 -2.990 -11.494 4.770 1.00 52.11 O ATOM 277 CB GLU A 20 -3.253 -14.380 6.374 1.00 61.13 C ATOM 278 CG GLU A 20 -4.426 -15.010 7.137 1.00 22.54 C ATOM 279 CD GLU A 20 -5.445 -13.957 7.574 1.00 54.40 C ATOM 280 OE1 GLU A 20 -5.115 -13.104 8.431 1.00 51.23 O ATOM 281 OE2 GLU A 20 -6.585 -13.966 7.059 1.00 52.31 O ATOM 0 H GLU A 20 -3.323 -15.770 4.383 1.00 11.44 H new ATOM 0 HA GLU A 20 -4.657 -13.399 5.056 1.00 75.33 H new ATOM 0 HB2 GLU A 20 -2.477 -15.132 6.234 1.00 61.13 H new ATOM 0 HB3 GLU A 20 -2.821 -13.585 6.982 1.00 61.13 H new ATOM 0 HG2 GLU A 20 -4.916 -15.751 6.505 1.00 22.54 H new ATOM 0 HG3 GLU A 20 -4.049 -15.538 8.013 1.00 22.54 H new ATOM 286 N LEU A 21 -1.514 -13.039 4.067 1.00 51.14 N ATOM 287 CA LEU A 21 -0.538 -12.049 3.632 1.00 74.13 C ATOM 288 C LEU A 21 -1.096 -11.213 2.496 1.00 12.33 C ATOM 289 O LEU A 21 -0.947 -9.992 2.506 1.00 71.12 O ATOM 290 CB LEU A 21 0.777 -12.727 3.203 1.00 53.34 C ATOM 291 CG LEU A 21 1.850 -11.717 2.747 1.00 33.22 C ATOM 292 CD1 LEU A 21 2.398 -10.903 3.915 1.00 73.20 C ATOM 293 CD2 LEU A 21 3.019 -12.413 2.048 1.00 75.40 C ATOM 0 H LEU A 21 -1.227 -14.007 3.923 1.00 51.14 H new ATOM 0 HA LEU A 21 -0.325 -11.391 4.475 1.00 74.13 H new ATOM 0 HB2 LEU A 21 1.167 -13.313 4.036 1.00 53.34 H new ATOM 0 HB3 LEU A 21 0.573 -13.424 2.391 1.00 53.34 H new ATOM 0 HG LEU A 21 1.353 -11.048 2.045 1.00 33.22 H new ATOM 0 HD11 LEU A 21 3.151 -10.204 3.550 1.00 73.20 H new ATOM 0 HD12 LEU A 21 1.586 -10.349 4.385 1.00 73.20 H new ATOM 0 HD13 LEU A 21 2.850 -11.574 4.646 1.00 73.20 H new ATOM 0 HD21 LEU A 21 3.754 -11.669 1.741 1.00 75.40 H new ATOM 0 HD22 LEU A 21 3.484 -13.121 2.734 1.00 75.40 H new ATOM 0 HD23 LEU A 21 2.653 -12.945 1.170 1.00 75.40 H new ATOM 304 N ASN A 22 -1.725 -11.869 1.520 1.00 34.21 N ATOM 305 CA ASN A 22 -2.231 -11.203 0.329 1.00 3.31 C ATOM 306 C ASN A 22 -3.208 -10.096 0.710 1.00 74.53 C ATOM 307 O ASN A 22 -3.164 -9.027 0.103 1.00 42.31 O ATOM 308 CB ASN A 22 -2.870 -12.220 -0.631 1.00 32.53 C ATOM 309 CG ASN A 22 -1.799 -12.913 -1.458 1.00 63.11 C ATOM 310 OD1 ASN A 22 -1.057 -12.240 -2.167 1.00 31.34 O ATOM 311 ND2 ASN A 22 -1.677 -14.228 -1.400 1.00 13.34 N ATOM 0 H ASN A 22 -1.896 -12.875 1.537 1.00 34.21 H new ATOM 0 HA ASN A 22 -1.395 -10.739 -0.195 1.00 3.31 H new ATOM 0 HB2 ASN A 22 -3.436 -12.959 -0.064 1.00 32.53 H new ATOM 0 HB3 ASN A 22 -3.576 -11.714 -1.289 1.00 32.53 H new ATOM 0 HD21 ASN A 22 -0.958 -14.698 -1.950 1.00 13.34 H new ATOM 0 HD22 ASN A 22 -2.302 -14.772 -0.806 1.00 13.34 H new ATOM 317 N PHE A 23 -4.019 -10.334 1.746 1.00 23.41 N ATOM 318 CA PHE A 23 -5.028 -9.394 2.208 1.00 72.54 C ATOM 319 C PHE A 23 -4.370 -8.170 2.845 1.00 52.14 C ATOM 320 O PHE A 23 -4.602 -7.037 2.422 1.00 15.32 O ATOM 321 CB PHE A 23 -5.970 -10.092 3.194 1.00 32.15 C ATOM 322 CG PHE A 23 -7.052 -9.161 3.698 1.00 12.24 C ATOM 323 CD1 PHE A 23 -8.204 -8.940 2.920 1.00 15.14 C ATOM 324 CD2 PHE A 23 -6.879 -8.468 4.912 1.00 41.42 C ATOM 325 CE1 PHE A 23 -9.178 -8.024 3.349 1.00 64.43 C ATOM 326 CE2 PHE A 23 -7.858 -7.555 5.340 1.00 64.41 C ATOM 327 CZ PHE A 23 -8.998 -7.322 4.555 1.00 62.54 C ATOM 0 H PHE A 23 -3.987 -11.197 2.289 1.00 23.41 H new ATOM 0 HA PHE A 23 -5.613 -9.048 1.356 1.00 72.54 H new ATOM 0 HB2 PHE A 23 -6.429 -10.953 2.709 1.00 32.15 H new ATOM 0 HB3 PHE A 23 -5.395 -10.471 4.039 1.00 32.15 H new ATOM 0 HD1 PHE A 23 -8.339 -9.476 1.992 1.00 15.14 H new ATOM 0 HD2 PHE A 23 -5.997 -8.638 5.512 1.00 41.42 H new ATOM 0 HE1 PHE A 23 -10.064 -7.859 2.754 1.00 64.43 H new ATOM 0 HE2 PHE A 23 -7.733 -7.031 6.276 1.00 64.41 H new ATOM 0 HZ PHE A 23 -9.737 -6.604 4.877 1.00 62.54 H new ATOM 336 N LYS A 24 -3.516 -8.372 3.856 1.00 31.12 N ATOM 337 CA LYS A 24 -2.833 -7.263 4.539 1.00 75.43 C ATOM 338 C LYS A 24 -2.057 -6.427 3.523 1.00 62.30 C ATOM 339 O LYS A 24 -2.092 -5.192 3.575 1.00 14.33 O ATOM 340 CB LYS A 24 -1.883 -7.818 5.619 1.00 4.31 C ATOM 341 CG LYS A 24 -2.559 -8.612 6.755 1.00 4.44 C ATOM 342 CD LYS A 24 -2.939 -7.742 7.963 1.00 34.54 C ATOM 343 CE LYS A 24 -3.588 -8.617 9.047 1.00 63.12 C ATOM 344 NZ LYS A 24 -3.889 -7.870 10.291 1.00 20.15 N ATOM 0 H LYS A 24 -3.280 -9.295 4.221 1.00 31.12 H new ATOM 0 HA LYS A 24 -3.575 -6.626 5.021 1.00 75.43 H new ATOM 0 HB2 LYS A 24 -1.149 -8.463 5.136 1.00 4.31 H new ATOM 0 HB3 LYS A 24 -1.335 -6.985 6.058 1.00 4.31 H new ATOM 0 HG2 LYS A 24 -3.456 -9.095 6.367 1.00 4.44 H new ATOM 0 HG3 LYS A 24 -1.887 -9.405 7.084 1.00 4.44 H new ATOM 0 HD2 LYS A 24 -2.052 -7.249 8.362 1.00 34.54 H new ATOM 0 HD3 LYS A 24 -3.629 -6.956 7.655 1.00 34.54 H new ATOM 0 HE2 LYS A 24 -4.510 -9.046 8.656 1.00 63.12 H new ATOM 0 HE3 LYS A 24 -2.923 -9.449 9.281 1.00 63.12 H new ATOM 0 HZ1 LYS A 24 -4.325 -8.511 10.984 1.00 20.15 H new ATOM 0 HZ2 LYS A 24 -3.008 -7.482 10.685 1.00 20.15 H new ATOM 0 HZ3 LYS A 24 -4.546 -7.092 10.079 1.00 20.15 H new ATOM 354 N ALA A 25 -1.385 -7.096 2.586 1.00 13.35 N ATOM 355 CA ALA A 25 -0.583 -6.475 1.554 1.00 61.51 C ATOM 356 C ALA A 25 -1.432 -5.676 0.551 1.00 73.31 C ATOM 357 O ALA A 25 -0.917 -4.701 -0.006 1.00 12.44 O ATOM 358 CB ALA A 25 0.232 -7.573 0.865 1.00 52.42 C ATOM 0 H ALA A 25 -1.390 -8.114 2.530 1.00 13.35 H new ATOM 0 HA ALA A 25 0.086 -5.744 2.008 1.00 61.51 H new ATOM 0 HB1 ALA A 25 0.847 -7.132 0.081 1.00 52.42 H new ATOM 0 HB2 ALA A 25 0.874 -8.063 1.597 1.00 52.42 H new ATOM 0 HB3 ALA A 25 -0.444 -8.307 0.426 1.00 52.42 H new ATOM 364 N GLU A 26 -2.701 -6.049 0.315 1.00 23.23 N ATOM 365 CA GLU A 26 -3.629 -5.355 -0.593 1.00 24.11 C ATOM 366 C GLU A 26 -3.867 -3.924 -0.120 1.00 15.34 C ATOM 367 O GLU A 26 -3.881 -2.995 -0.923 1.00 34.21 O ATOM 368 CB GLU A 26 -4.948 -6.143 -0.745 1.00 54.40 C ATOM 369 CG GLU A 26 -5.923 -5.589 -1.808 1.00 21.11 C ATOM 370 CD GLU A 26 -6.873 -4.474 -1.342 1.00 54.03 C ATOM 371 OE1 GLU A 26 -6.859 -4.074 -0.158 1.00 4.34 O ATOM 372 OE2 GLU A 26 -7.643 -3.952 -2.185 1.00 31.12 O ATOM 0 H GLU A 26 -3.121 -6.864 0.763 1.00 23.23 H new ATOM 0 HA GLU A 26 -3.175 -5.303 -1.583 1.00 24.11 H new ATOM 0 HB2 GLU A 26 -4.709 -7.176 -0.997 1.00 54.40 H new ATOM 0 HB3 GLU A 26 -5.457 -6.159 0.219 1.00 54.40 H new ATOM 0 HG2 GLU A 26 -5.337 -5.212 -2.647 1.00 21.11 H new ATOM 0 HG3 GLU A 26 -6.524 -6.416 -2.185 1.00 21.11 H new ATOM 377 N ALA A 27 -3.981 -3.732 1.190 1.00 61.42 N ATOM 378 CA ALA A 27 -4.223 -2.429 1.782 1.00 71.10 C ATOM 379 C ALA A 27 -2.911 -1.648 1.897 1.00 72.53 C ATOM 380 O ALA A 27 -2.843 -0.482 1.507 1.00 54.01 O ATOM 381 CB ALA A 27 -4.935 -2.616 3.123 1.00 35.32 C ATOM 0 H ALA A 27 -3.907 -4.486 1.873 1.00 61.42 H new ATOM 0 HA ALA A 27 -4.876 -1.832 1.145 1.00 71.10 H new ATOM 0 HB1 ALA A 27 -5.121 -1.642 3.575 1.00 35.32 H new ATOM 0 HB2 ALA A 27 -5.883 -3.129 2.963 1.00 35.32 H new ATOM 0 HB3 ALA A 27 -4.309 -3.211 3.788 1.00 35.32 H new ATOM 387 N ARG A 28 -1.824 -2.272 2.375 1.00 73.24 N ATOM 388 CA ARG A 28 -0.537 -1.571 2.515 1.00 62.10 C ATOM 389 C ARG A 28 -0.063 -0.994 1.189 1.00 22.52 C ATOM 390 O ARG A 28 0.386 0.151 1.158 1.00 13.22 O ATOM 391 CB ARG A 28 0.535 -2.465 3.166 1.00 13.11 C ATOM 392 CG ARG A 28 0.235 -2.660 4.658 1.00 11.05 C ATOM 393 CD ARG A 28 1.277 -2.095 5.626 1.00 52.20 C ATOM 394 NE ARG A 28 0.710 -2.072 6.985 1.00 43.14 N ATOM 395 CZ ARG A 28 1.183 -1.403 8.040 1.00 11.35 C ATOM 396 NH1 ARG A 28 2.348 -0.764 7.997 1.00 64.53 N ATOM 397 NH2 ARG A 28 0.445 -1.343 9.140 1.00 13.05 N ATOM 0 H ARG A 28 -1.808 -3.249 2.668 1.00 73.24 H new ATOM 0 HA ARG A 28 -0.702 -0.731 3.189 1.00 62.10 H new ATOM 0 HB2 ARG A 28 0.564 -3.433 2.665 1.00 13.11 H new ATOM 0 HB3 ARG A 28 1.519 -2.013 3.043 1.00 13.11 H new ATOM 0 HG2 ARG A 28 -0.727 -2.198 4.879 1.00 11.05 H new ATOM 0 HG3 ARG A 28 0.128 -3.727 4.851 1.00 11.05 H new ATOM 0 HD2 ARG A 28 2.180 -2.706 5.605 1.00 52.20 H new ATOM 0 HD3 ARG A 28 1.566 -1.089 5.322 1.00 52.20 H new ATOM 0 HE ARG A 28 -0.133 -2.626 7.137 1.00 43.14 H new ATOM 0 HH11 ARG A 28 2.905 -0.777 7.143 1.00 64.53 H new ATOM 0 HH12 ARG A 28 2.684 -0.261 8.818 1.00 64.53 H new ATOM 0 HH21 ARG A 28 -0.465 -1.803 9.169 1.00 13.05 H new ATOM 0 HH22 ARG A 28 0.787 -0.837 9.957 1.00 13.05 H new ATOM 408 N ARG A 29 -0.204 -1.735 0.085 1.00 75.24 N ATOM 409 CA ARG A 29 0.233 -1.245 -1.219 1.00 31.42 C ATOM 410 C ARG A 29 -0.503 0.043 -1.625 1.00 44.41 C ATOM 411 O ARG A 29 0.134 0.898 -2.234 1.00 42.31 O ATOM 412 CB ARG A 29 0.171 -2.375 -2.269 1.00 23.12 C ATOM 413 CG ARG A 29 -1.230 -2.617 -2.809 1.00 75.30 C ATOM 414 CD ARG A 29 -1.539 -4.025 -3.336 1.00 4.32 C ATOM 415 NE ARG A 29 -0.548 -4.588 -4.261 1.00 63.40 N ATOM 416 CZ ARG A 29 -0.791 -5.488 -5.224 1.00 33.21 C ATOM 417 NH1 ARG A 29 -1.987 -5.614 -5.798 1.00 31.23 N ATOM 418 NH2 ARG A 29 0.212 -6.255 -5.626 1.00 0.33 N ATOM 0 H ARG A 29 -0.614 -2.669 0.071 1.00 75.24 H new ATOM 0 HA ARG A 29 1.280 -0.950 -1.154 1.00 31.42 H new ATOM 0 HB2 ARG A 29 0.835 -2.129 -3.098 1.00 23.12 H new ATOM 0 HB3 ARG A 29 0.546 -3.297 -1.824 1.00 23.12 H new ATOM 0 HG2 ARG A 29 -1.943 -2.388 -2.017 1.00 75.30 H new ATOM 0 HG3 ARG A 29 -1.410 -1.906 -3.616 1.00 75.30 H new ATOM 0 HD2 ARG A 29 -1.638 -4.698 -2.485 1.00 4.32 H new ATOM 0 HD3 ARG A 29 -2.506 -4.001 -3.838 1.00 4.32 H new ATOM 0 HE ARG A 29 0.414 -4.264 -4.162 1.00 63.40 H new ATOM 0 HH11 ARG A 29 -2.758 -5.013 -5.507 1.00 31.23 H new ATOM 0 HH12 ARG A 29 -2.131 -6.312 -6.528 1.00 31.23 H new ATOM 0 HH21 ARG A 29 1.135 -6.150 -5.204 1.00 0.33 H new ATOM 0 HH22 ARG A 29 0.061 -6.950 -6.357 1.00 0.33 H new ATOM 429 N ASN A 30 -1.787 0.220 -1.267 1.00 33.52 N ATOM 430 CA ASN A 30 -2.486 1.493 -1.472 1.00 72.53 C ATOM 431 C ASN A 30 -1.958 2.536 -0.494 1.00 13.33 C ATOM 432 O ASN A 30 -1.611 3.636 -0.917 1.00 64.35 O ATOM 433 CB ASN A 30 -4.032 1.362 -1.412 1.00 34.44 C ATOM 434 CG ASN A 30 -4.724 1.720 -0.086 1.00 61.35 C ATOM 435 OD1 ASN A 30 -4.613 2.820 0.448 1.00 14.41 O ATOM 436 ND2 ASN A 30 -5.497 0.810 0.474 1.00 43.11 N ATOM 0 H ASN A 30 -2.359 -0.505 -0.834 1.00 33.52 H new ATOM 0 HA ASN A 30 -2.272 1.825 -2.488 1.00 72.53 H new ATOM 0 HB2 ASN A 30 -4.454 1.995 -2.193 1.00 34.44 H new ATOM 0 HB3 ASN A 30 -4.292 0.333 -1.660 1.00 34.44 H new ATOM 0 HD21 ASN A 30 -5.993 1.025 1.339 1.00 43.11 H new ATOM 0 HD22 ASN A 30 -5.599 -0.108 0.042 1.00 43.11 H new ATOM 442 N ARG A 31 -1.880 2.211 0.805 1.00 14.22 N ATOM 443 CA ARG A 31 -1.686 3.223 1.841 1.00 40.41 C ATOM 444 C ARG A 31 -0.356 3.921 1.639 1.00 33.24 C ATOM 445 O ARG A 31 -0.316 5.147 1.631 1.00 33.54 O ATOM 446 CB ARG A 31 -1.870 2.613 3.242 1.00 31.50 C ATOM 447 CG ARG A 31 -1.575 3.620 4.371 1.00 12.03 C ATOM 448 CD ARG A 31 -0.166 3.447 4.968 1.00 55.13 C ATOM 449 NE ARG A 31 -0.167 2.578 6.159 1.00 23.52 N ATOM 450 CZ ARG A 31 -0.094 2.981 7.435 1.00 34.30 C ATOM 451 NH1 ARG A 31 -0.012 4.269 7.771 1.00 2.33 N ATOM 452 NH2 ARG A 31 -0.115 2.067 8.398 1.00 53.01 N ATOM 0 H ARG A 31 -1.949 1.256 1.157 1.00 14.22 H new ATOM 0 HA ARG A 31 -2.453 3.993 1.758 1.00 40.41 H new ATOM 0 HB2 ARG A 31 -2.892 2.248 3.344 1.00 31.50 H new ATOM 0 HB3 ARG A 31 -1.212 1.751 3.348 1.00 31.50 H new ATOM 0 HG2 ARG A 31 -1.679 4.634 3.985 1.00 12.03 H new ATOM 0 HG3 ARG A 31 -2.317 3.502 5.161 1.00 12.03 H new ATOM 0 HD2 ARG A 31 0.497 3.024 4.213 1.00 55.13 H new ATOM 0 HD3 ARG A 31 0.236 4.424 5.234 1.00 55.13 H new ATOM 0 HE ARG A 31 -0.229 1.573 5.996 1.00 23.52 H new ATOM 0 HH11 ARG A 31 -0.003 4.986 7.045 1.00 2.33 H new ATOM 0 HH12 ARG A 31 0.042 4.537 8.754 1.00 2.33 H new ATOM 0 HH21 ARG A 31 -0.186 1.078 8.161 1.00 53.01 H new ATOM 0 HH22 ARG A 31 -0.060 2.354 9.375 1.00 53.01 H new ATOM 463 N LEU A 32 0.708 3.150 1.413 1.00 53.22 N ATOM 464 CA LEU A 32 2.034 3.661 1.093 1.00 33.33 C ATOM 465 C LEU A 32 1.973 4.685 -0.043 1.00 0.01 C ATOM 466 O LEU A 32 2.588 5.748 0.041 1.00 60.34 O ATOM 467 CB LEU A 32 2.907 2.492 0.625 1.00 1.21 C ATOM 468 CG LEU A 32 3.697 1.702 1.681 1.00 44.21 C ATOM 469 CD1 LEU A 32 3.031 1.378 3.007 1.00 3.04 C ATOM 470 CD2 LEU A 32 4.130 0.363 1.080 1.00 40.31 C ATOM 0 H LEU A 32 0.667 2.131 1.449 1.00 53.22 H new ATOM 0 HA LEU A 32 2.443 4.139 1.983 1.00 33.33 H new ATOM 0 HB2 LEU A 32 2.264 1.788 0.096 1.00 1.21 H new ATOM 0 HB3 LEU A 32 3.620 2.880 -0.102 1.00 1.21 H new ATOM 0 HG LEU A 32 4.502 2.393 1.930 1.00 44.21 H new ATOM 0 HD11 LEU A 32 3.724 0.818 3.635 1.00 3.04 H new ATOM 0 HD12 LEU A 32 2.752 2.304 3.510 1.00 3.04 H new ATOM 0 HD13 LEU A 32 2.138 0.779 2.829 1.00 3.04 H new ATOM 0 HD21 LEU A 32 4.691 -0.204 1.822 1.00 40.31 H new ATOM 0 HD22 LEU A 32 3.248 -0.204 0.781 1.00 40.31 H new ATOM 0 HD23 LEU A 32 4.759 0.542 0.208 1.00 40.31 H new ATOM 481 N LEU A 33 1.271 4.339 -1.125 1.00 62.31 N ATOM 482 CA LEU A 33 1.188 5.139 -2.340 1.00 52.44 C ATOM 483 C LEU A 33 0.400 6.429 -2.071 1.00 43.25 C ATOM 484 O LEU A 33 0.795 7.505 -2.514 1.00 21.31 O ATOM 485 CB LEU A 33 0.572 4.263 -3.451 1.00 53.22 C ATOM 486 CG LEU A 33 0.785 4.776 -4.883 1.00 22.43 C ATOM 487 CD1 LEU A 33 2.240 4.774 -5.335 1.00 11.30 C ATOM 488 CD2 LEU A 33 0.077 3.896 -5.899 1.00 14.33 C ATOM 0 H LEU A 33 0.734 3.474 -1.177 1.00 62.31 H new ATOM 0 HA LEU A 33 2.175 5.458 -2.674 1.00 52.44 H new ATOM 0 HB2 LEU A 33 0.992 3.260 -3.375 1.00 53.22 H new ATOM 0 HB3 LEU A 33 -0.499 4.174 -3.270 1.00 53.22 H new ATOM 0 HG LEU A 33 0.395 5.793 -4.846 1.00 22.43 H new ATOM 0 HD11 LEU A 33 2.304 5.150 -6.356 1.00 11.30 H new ATOM 0 HD12 LEU A 33 2.827 5.413 -4.675 1.00 11.30 H new ATOM 0 HD13 LEU A 33 2.631 3.757 -5.298 1.00 11.30 H new ATOM 0 HD21 LEU A 33 0.248 4.288 -6.902 1.00 14.33 H new ATOM 0 HD22 LEU A 33 0.467 2.880 -5.835 1.00 14.33 H new ATOM 0 HD23 LEU A 33 -0.993 3.888 -5.691 1.00 14.33 H new ATOM 499 N GLY A 34 -0.667 6.355 -1.274 1.00 51.02 N ATOM 500 CA GLY A 34 -1.398 7.522 -0.791 1.00 71.11 C ATOM 501 C GLY A 34 -0.506 8.456 0.025 1.00 13.04 C ATOM 502 O GLY A 34 -0.450 9.657 -0.242 1.00 1.44 O ATOM 0 H GLY A 34 -1.051 5.470 -0.943 1.00 51.02 H new ATOM 0 HA2 GLY A 34 -1.814 8.066 -1.639 1.00 71.11 H new ATOM 0 HA3 GLY A 34 -2.238 7.196 -0.178 1.00 71.11 H new ATOM 506 N GLU A 35 0.204 7.909 1.016 1.00 62.52 N ATOM 507 CA GLU A 35 1.053 8.679 1.922 1.00 34.54 C ATOM 508 C GLU A 35 2.222 9.320 1.153 1.00 40.53 C ATOM 509 O GLU A 35 2.668 10.404 1.524 1.00 33.34 O ATOM 510 CB GLU A 35 1.571 7.796 3.081 1.00 52.35 C ATOM 511 CG GLU A 35 0.470 7.051 3.875 1.00 4.13 C ATOM 512 CD GLU A 35 0.306 7.408 5.363 1.00 20.24 C ATOM 513 OE1 GLU A 35 0.711 8.494 5.827 1.00 21.52 O ATOM 514 OE2 GLU A 35 -0.318 6.605 6.099 1.00 41.34 O ATOM 0 H GLU A 35 0.204 6.908 1.212 1.00 62.52 H new ATOM 0 HA GLU A 35 0.451 9.478 2.356 1.00 34.54 H new ATOM 0 HB2 GLU A 35 2.267 7.061 2.676 1.00 52.35 H new ATOM 0 HB3 GLU A 35 2.136 8.423 3.771 1.00 52.35 H new ATOM 0 HG2 GLU A 35 -0.484 7.231 3.378 1.00 4.13 H new ATOM 0 HG3 GLU A 35 0.669 5.982 3.805 1.00 4.13 H new ATOM 519 N TRP A 36 2.689 8.696 0.060 1.00 52.53 N ATOM 520 CA TRP A 36 3.691 9.259 -0.842 1.00 43.11 C ATOM 521 C TRP A 36 3.206 10.602 -1.393 1.00 13.22 C ATOM 522 O TRP A 36 3.776 11.644 -1.066 1.00 54.34 O ATOM 523 CB TRP A 36 4.025 8.274 -1.978 1.00 53.23 C ATOM 524 CG TRP A 36 4.884 8.830 -3.068 1.00 52.44 C ATOM 525 CD1 TRP A 36 6.127 9.324 -2.882 1.00 15.53 C ATOM 526 CD2 TRP A 36 4.565 9.069 -4.480 1.00 24.21 C ATOM 527 NE1 TRP A 36 6.635 9.771 -4.077 1.00 2.13 N ATOM 528 CE2 TRP A 36 5.712 9.666 -5.087 1.00 54.11 C ATOM 529 CE3 TRP A 36 3.433 8.877 -5.316 1.00 60.02 C ATOM 530 CZ2 TRP A 36 5.752 10.027 -6.437 1.00 43.53 C ATOM 531 CZ3 TRP A 36 3.447 9.306 -6.661 1.00 32.41 C ATOM 532 CH2 TRP A 36 4.606 9.865 -7.220 1.00 72.41 C ATOM 0 H TRP A 36 2.371 7.769 -0.222 1.00 52.53 H new ATOM 0 HA TRP A 36 4.609 9.431 -0.281 1.00 43.11 H new ATOM 0 HB2 TRP A 36 4.526 7.406 -1.549 1.00 53.23 H new ATOM 0 HB3 TRP A 36 3.092 7.920 -2.417 1.00 53.23 H new ATOM 0 HD1 TRP A 36 6.644 9.362 -1.935 1.00 15.53 H new ATOM 0 HE1 TRP A 36 7.580 10.135 -4.199 1.00 2.13 H new ATOM 0 HE3 TRP A 36 2.551 8.397 -4.918 1.00 60.02 H new ATOM 0 HZ2 TRP A 36 6.658 10.426 -6.869 1.00 43.53 H new ATOM 0 HZ3 TRP A 36 2.558 9.203 -7.265 1.00 32.41 H new ATOM 0 HH2 TRP A 36 4.612 10.170 -8.256 1.00 72.41 H new ATOM 542 N ALA A 37 2.156 10.588 -2.215 1.00 11.54 N ATOM 543 CA ALA A 37 1.700 11.776 -2.925 1.00 35.31 C ATOM 544 C ALA A 37 1.199 12.845 -1.954 1.00 53.41 C ATOM 545 O ALA A 37 1.559 14.006 -2.119 1.00 42.41 O ATOM 546 CB ALA A 37 0.630 11.369 -3.934 1.00 63.42 C ATOM 0 H ALA A 37 1.601 9.753 -2.405 1.00 11.54 H new ATOM 0 HA ALA A 37 2.536 12.223 -3.463 1.00 35.31 H new ATOM 0 HB1 ALA A 37 0.282 12.251 -4.471 1.00 63.42 H new ATOM 0 HB2 ALA A 37 1.051 10.655 -4.643 1.00 63.42 H new ATOM 0 HB3 ALA A 37 -0.208 10.909 -3.410 1.00 63.42 H new ATOM 552 N ALA A 38 0.458 12.485 -0.899 1.00 74.41 N ATOM 553 CA ALA A 38 0.086 13.425 0.163 1.00 13.22 C ATOM 554 C ALA A 38 1.319 14.125 0.766 1.00 14.10 C ATOM 555 O ALA A 38 1.222 15.279 1.188 1.00 43.53 O ATOM 556 CB ALA A 38 -0.705 12.673 1.231 1.00 64.11 C ATOM 0 H ALA A 38 0.102 11.540 -0.759 1.00 74.41 H new ATOM 0 HA ALA A 38 -0.536 14.213 -0.262 1.00 13.22 H new ATOM 0 HB1 ALA A 38 -0.988 13.362 2.027 1.00 64.11 H new ATOM 0 HB2 ALA A 38 -1.603 12.246 0.785 1.00 64.11 H new ATOM 0 HB3 ALA A 38 -0.090 11.874 1.644 1.00 64.11 H new ATOM 562 N GLY A 39 2.475 13.453 0.782 1.00 75.11 N ATOM 563 CA GLY A 39 3.783 14.012 1.090 1.00 63.32 C ATOM 564 C GLY A 39 4.142 15.152 0.154 1.00 40.51 C ATOM 565 O GLY A 39 4.389 16.271 0.596 1.00 41.14 O ATOM 0 H GLY A 39 2.519 12.456 0.569 1.00 75.11 H new ATOM 0 HA2 GLY A 39 3.792 14.370 2.119 1.00 63.32 H new ATOM 0 HA3 GLY A 39 4.539 13.230 1.018 1.00 63.32 H new ATOM 569 N LEU A 40 4.162 14.848 -1.141 1.00 60.41 N ATOM 570 CA LEU A 40 4.643 15.702 -2.222 1.00 14.44 C ATOM 571 C LEU A 40 3.804 16.955 -2.389 1.00 12.33 C ATOM 572 O LEU A 40 4.321 18.011 -2.760 1.00 35.11 O ATOM 573 CB LEU A 40 4.554 14.907 -3.529 1.00 0.51 C ATOM 574 CG LEU A 40 5.504 13.709 -3.564 1.00 55.22 C ATOM 575 CD1 LEU A 40 5.282 13.000 -4.902 1.00 21.14 C ATOM 576 CD2 LEU A 40 6.963 14.164 -3.487 1.00 42.42 C ATOM 0 H LEU A 40 3.824 13.948 -1.483 1.00 60.41 H new ATOM 0 HA LEU A 40 5.662 16.003 -1.981 1.00 14.44 H new ATOM 0 HB2 LEU A 40 3.531 14.557 -3.666 1.00 0.51 H new ATOM 0 HB3 LEU A 40 4.780 15.568 -4.366 1.00 0.51 H new ATOM 0 HG LEU A 40 5.306 13.055 -2.715 1.00 55.22 H new ATOM 0 HD11 LEU A 40 5.942 12.135 -4.970 1.00 21.14 H new ATOM 0 HD12 LEU A 40 4.245 12.671 -4.972 1.00 21.14 H new ATOM 0 HD13 LEU A 40 5.500 13.688 -5.719 1.00 21.14 H new ATOM 0 HD21 LEU A 40 7.618 13.293 -3.514 1.00 42.42 H new ATOM 0 HD22 LEU A 40 7.187 14.812 -4.334 1.00 42.42 H new ATOM 0 HD23 LEU A 40 7.125 14.711 -2.558 1.00 42.42 H new ATOM 587 N LEU A 41 2.502 16.799 -2.160 1.00 74.04 N ATOM 588 CA LEU A 41 1.493 17.843 -2.218 1.00 54.45 C ATOM 589 C LEU A 41 1.558 18.723 -0.960 1.00 40.11 C ATOM 590 O LEU A 41 0.833 19.709 -0.881 1.00 11.20 O ATOM 591 CB LEU A 41 0.109 17.188 -2.364 1.00 15.53 C ATOM 592 CG LEU A 41 -0.054 16.271 -3.602 1.00 64.45 C ATOM 593 CD1 LEU A 41 -1.113 15.207 -3.341 1.00 71.05 C ATOM 594 CD2 LEU A 41 -0.531 16.998 -4.855 1.00 13.40 C ATOM 0 H LEU A 41 2.106 15.891 -1.916 1.00 74.04 H new ATOM 0 HA LEU A 41 1.677 18.487 -3.078 1.00 54.45 H new ATOM 0 HB2 LEU A 41 -0.096 16.603 -1.468 1.00 15.53 H new ATOM 0 HB3 LEU A 41 -0.645 17.974 -2.411 1.00 15.53 H new ATOM 0 HG LEU A 41 0.943 15.862 -3.766 1.00 64.45 H new ATOM 0 HD11 LEU A 41 -1.215 14.572 -4.221 1.00 71.05 H new ATOM 0 HD12 LEU A 41 -0.815 14.599 -2.487 1.00 71.05 H new ATOM 0 HD13 LEU A 41 -2.068 15.688 -3.129 1.00 71.05 H new ATOM 0 HD21 LEU A 41 -0.620 16.287 -5.677 1.00 13.40 H new ATOM 0 HD22 LEU A 41 -1.502 17.454 -4.663 1.00 13.40 H new ATOM 0 HD23 LEU A 41 0.188 17.773 -5.122 1.00 13.40 H new ATOM 605 N GLY A 42 2.381 18.375 0.035 1.00 4.30 N ATOM 606 CA GLY A 42 2.618 19.180 1.227 1.00 64.14 C ATOM 607 C GLY A 42 1.452 19.196 2.198 1.00 4.42 C ATOM 608 O GLY A 42 1.214 20.231 2.824 1.00 34.31 O ATOM 0 H GLY A 42 2.911 17.504 0.029 1.00 4.30 H new ATOM 0 HA2 GLY A 42 3.501 18.800 1.741 1.00 64.14 H new ATOM 0 HA3 GLY A 42 2.841 20.203 0.924 1.00 64.14 H new ATOM 612 N LYS A 43 0.697 18.097 2.322 1.00 54.11 N ATOM 613 CA LYS A 43 -0.416 18.066 3.272 1.00 72.02 C ATOM 614 C LYS A 43 0.083 17.884 4.708 1.00 72.02 C ATOM 615 O LYS A 43 1.228 17.486 4.930 1.00 44.42 O ATOM 616 CB LYS A 43 -1.434 16.964 2.917 1.00 53.31 C ATOM 617 CG LYS A 43 -1.996 17.014 1.491 1.00 21.22 C ATOM 618 CD LYS A 43 -2.697 18.347 1.143 1.00 75.11 C ATOM 619 CE LYS A 43 -1.949 18.992 -0.028 1.00 4.24 C ATOM 620 NZ LYS A 43 -2.084 20.459 -0.099 1.00 71.31 N ATOM 0 H LYS A 43 0.833 17.238 1.789 1.00 54.11 H new ATOM 0 HA LYS A 43 -0.921 19.029 3.203 1.00 72.02 H new ATOM 0 HB2 LYS A 43 -0.960 15.994 3.067 1.00 53.31 H new ATOM 0 HB3 LYS A 43 -2.266 17.024 3.618 1.00 53.31 H new ATOM 0 HG2 LYS A 43 -1.183 16.846 0.784 1.00 21.22 H new ATOM 0 HG3 LYS A 43 -2.705 16.197 1.361 1.00 21.22 H new ATOM 0 HD2 LYS A 43 -3.739 18.170 0.877 1.00 75.11 H new ATOM 0 HD3 LYS A 43 -2.697 19.013 2.006 1.00 75.11 H new ATOM 0 HE2 LYS A 43 -0.891 18.739 0.048 1.00 4.24 H new ATOM 0 HE3 LYS A 43 -2.314 18.560 -0.960 1.00 4.24 H new ATOM 0 HZ1 LYS A 43 -1.550 20.818 -0.916 1.00 71.31 H new ATOM 0 HZ2 LYS A 43 -3.088 20.711 -0.203 1.00 71.31 H new ATOM 0 HZ3 LYS A 43 -1.709 20.885 0.773 1.00 71.31 H new ATOM 630 N THR A 44 -0.808 18.146 5.662 1.00 61.34 N ATOM 631 CA THR A 44 -0.689 18.004 7.108 1.00 23.00 C ATOM 632 C THR A 44 -2.095 17.867 7.706 1.00 21.20 C ATOM 633 O THR A 44 -3.089 18.035 6.994 1.00 55.13 O ATOM 634 CB THR A 44 0.007 19.247 7.705 1.00 11.41 C ATOM 635 OG1 THR A 44 -0.254 20.440 6.977 1.00 64.42 O ATOM 636 CG2 THR A 44 1.511 19.048 7.705 1.00 40.13 C ATOM 0 H THR A 44 -1.730 18.502 5.411 1.00 61.34 H new ATOM 0 HA THR A 44 -0.094 17.121 7.342 1.00 23.00 H new ATOM 0 HB THR A 44 -0.394 19.356 8.713 1.00 11.41 H new ATOM 0 HG1 THR A 44 0.210 21.191 7.402 1.00 64.42 H new ATOM 0 HG21 THR A 44 1.995 19.929 8.127 1.00 40.13 H new ATOM 0 HG22 THR A 44 1.762 18.173 8.305 1.00 40.13 H new ATOM 0 HG23 THR A 44 1.858 18.899 6.683 1.00 40.13 H new ATOM 644 N GLY A 45 -2.185 17.665 9.024 1.00 74.03 N ATOM 645 CA GLY A 45 -3.431 17.780 9.765 1.00 32.14 C ATOM 646 C GLY A 45 -4.261 16.533 9.539 1.00 15.41 C ATOM 647 O GLY A 45 -3.895 15.472 10.052 1.00 35.24 O ATOM 0 H GLY A 45 -1.385 17.415 9.605 1.00 74.03 H new ATOM 0 HA2 GLY A 45 -3.226 17.907 10.828 1.00 32.14 H new ATOM 0 HA3 GLY A 45 -3.982 18.662 9.439 1.00 32.14 H new ATOM 651 N ASP A 46 -5.326 16.636 8.748 1.00 51.22 N ATOM 652 CA ASP A 46 -6.129 15.496 8.295 1.00 14.43 C ATOM 653 C ASP A 46 -6.275 15.481 6.770 1.00 40.44 C ATOM 654 O ASP A 46 -6.712 14.493 6.185 1.00 15.20 O ATOM 655 CB ASP A 46 -7.494 15.490 8.993 1.00 44.01 C ATOM 656 CG ASP A 46 -7.829 14.076 9.445 1.00 0.43 C ATOM 657 OD1 ASP A 46 -7.296 13.694 10.515 1.00 14.13 O ATOM 658 OD2 ASP A 46 -8.580 13.361 8.746 1.00 41.32 O ATOM 0 H ASP A 46 -5.664 17.531 8.395 1.00 51.22 H new ATOM 0 HA ASP A 46 -5.605 14.581 8.572 1.00 14.43 H new ATOM 0 HB2 ASP A 46 -7.478 16.163 9.850 1.00 44.01 H new ATOM 0 HB3 ASP A 46 -8.263 15.857 8.314 1.00 44.01 H new ATOM 662 N ASP A 47 -5.846 16.554 6.098 1.00 14.41 N ATOM 663 CA ASP A 47 -5.916 16.718 4.644 1.00 42.22 C ATOM 664 C ASP A 47 -5.109 15.628 3.937 1.00 74.25 C ATOM 665 O ASP A 47 -5.433 15.222 2.815 1.00 14.40 O ATOM 666 CB ASP A 47 -5.336 18.089 4.253 1.00 42.23 C ATOM 667 CG ASP A 47 -6.385 19.217 4.242 1.00 11.10 C ATOM 668 OD1 ASP A 47 -7.149 19.343 5.231 1.00 14.21 O ATOM 669 OD2 ASP A 47 -6.377 20.052 3.307 1.00 12.31 O ATOM 0 H ASP A 47 -5.427 17.357 6.567 1.00 14.41 H new ATOM 0 HA ASP A 47 -6.961 16.645 4.341 1.00 42.22 H new ATOM 0 HB2 ASP A 47 -4.540 18.350 4.950 1.00 42.23 H new ATOM 0 HB3 ASP A 47 -4.883 18.015 3.264 1.00 42.23 H new ATOM 673 N ALA A 48 -4.037 15.167 4.590 1.00 52.02 N ATOM 674 CA ALA A 48 -3.188 14.104 4.088 1.00 42.14 C ATOM 675 C ALA A 48 -3.869 12.747 4.244 1.00 75.55 C ATOM 676 O ALA A 48 -3.681 11.868 3.397 1.00 64.42 O ATOM 677 CB ALA A 48 -1.865 14.090 4.854 1.00 53.41 C ATOM 0 H ALA A 48 -3.738 15.533 5.494 1.00 52.02 H new ATOM 0 HA ALA A 48 -3.003 14.288 3.030 1.00 42.14 H new ATOM 0 HB1 ALA A 48 -1.232 13.289 4.472 1.00 53.41 H new ATOM 0 HB2 ALA A 48 -1.359 15.046 4.723 1.00 53.41 H new ATOM 0 HB3 ALA A 48 -2.060 13.924 5.914 1.00 53.41 H new ATOM 683 N ARG A 49 -4.612 12.543 5.339 1.00 24.23 N ATOM 684 CA ARG A 49 -5.329 11.293 5.566 1.00 62.13 C ATOM 685 C ARG A 49 -6.370 11.119 4.478 1.00 4.24 C ATOM 686 O ARG A 49 -6.371 10.078 3.825 1.00 42.14 O ATOM 687 CB ARG A 49 -6.053 11.268 6.910 1.00 72.34 C ATOM 688 CG ARG A 49 -5.185 11.212 8.161 1.00 21.33 C ATOM 689 CD ARG A 49 -6.132 10.870 9.317 1.00 14.22 C ATOM 690 NE ARG A 49 -5.628 11.360 10.599 1.00 53.15 N ATOM 691 CZ ARG A 49 -4.736 10.768 11.391 1.00 61.14 C ATOM 692 NH1 ARG A 49 -4.186 9.616 11.022 1.00 60.33 N ATOM 693 NH2 ARG A 49 -4.406 11.336 12.541 1.00 52.44 N ATOM 0 H ARG A 49 -4.729 13.233 6.081 1.00 24.23 H new ATOM 0 HA ARG A 49 -4.590 10.492 5.558 1.00 62.13 H new ATOM 0 HB2 ARG A 49 -6.682 12.156 6.973 1.00 72.34 H new ATOM 0 HB3 ARG A 49 -6.719 10.405 6.920 1.00 72.34 H new ATOM 0 HG2 ARG A 49 -4.404 10.458 8.061 1.00 21.33 H new ATOM 0 HG3 ARG A 49 -4.687 12.166 8.334 1.00 21.33 H new ATOM 0 HD2 ARG A 49 -7.113 11.304 9.123 1.00 14.22 H new ATOM 0 HD3 ARG A 49 -6.266 9.790 9.369 1.00 14.22 H new ATOM 0 HE ARG A 49 -6.000 12.253 10.922 1.00 53.15 H new ATOM 0 HH11 ARG A 49 -4.447 9.187 10.134 1.00 60.33 H new ATOM 0 HH12 ARG A 49 -3.502 9.160 11.627 1.00 60.33 H new ATOM 0 HH21 ARG A 49 -4.834 12.220 12.814 1.00 52.44 H new ATOM 0 HH22 ARG A 49 -3.724 10.889 13.153 1.00 52.44 H new ATOM 704 N ALA A 50 -7.210 12.140 4.267 1.00 53.41 N ATOM 705 CA ALA A 50 -8.248 12.156 3.245 1.00 1.02 C ATOM 706 C ALA A 50 -7.675 11.677 1.911 1.00 44.22 C ATOM 707 O ALA A 50 -8.210 10.762 1.288 1.00 71.31 O ATOM 708 CB ALA A 50 -8.820 13.574 3.130 1.00 1.20 C ATOM 0 H ALA A 50 -7.181 12.997 4.820 1.00 53.41 H new ATOM 0 HA ALA A 50 -9.055 11.478 3.523 1.00 1.02 H new ATOM 0 HB1 ALA A 50 -9.598 13.592 2.366 1.00 1.20 H new ATOM 0 HB2 ALA A 50 -9.245 13.874 4.088 1.00 1.20 H new ATOM 0 HB3 ALA A 50 -8.024 14.266 2.854 1.00 1.20 H new ATOM 714 N TYR A 51 -6.536 12.247 1.518 1.00 1.01 N ATOM 715 CA TYR A 51 -5.845 11.914 0.287 1.00 22.51 C ATOM 716 C TYR A 51 -5.441 10.435 0.212 1.00 12.10 C ATOM 717 O TYR A 51 -5.580 9.792 -0.831 1.00 62.14 O ATOM 718 CB TYR A 51 -4.622 12.825 0.176 1.00 51.31 C ATOM 719 CG TYR A 51 -3.965 12.712 -1.173 1.00 55.14 C ATOM 720 CD1 TYR A 51 -3.154 11.601 -1.471 1.00 15.13 C ATOM 721 CD2 TYR A 51 -4.253 13.666 -2.161 1.00 74.23 C ATOM 722 CE1 TYR A 51 -2.723 11.387 -2.783 1.00 21.50 C ATOM 723 CE2 TYR A 51 -3.701 13.533 -3.439 1.00 23.30 C ATOM 724 CZ TYR A 51 -2.996 12.357 -3.773 1.00 40.04 C ATOM 725 OH TYR A 51 -2.631 12.144 -5.058 1.00 34.22 O ATOM 0 H TYR A 51 -6.063 12.968 2.063 1.00 1.01 H new ATOM 0 HA TYR A 51 -6.522 12.073 -0.552 1.00 22.51 H new ATOM 0 HB2 TYR A 51 -4.921 13.859 0.350 1.00 51.31 H new ATOM 0 HB3 TYR A 51 -3.903 12.566 0.954 1.00 51.31 H new ATOM 0 HD1 TYR A 51 -2.866 10.916 -0.688 1.00 15.13 H new ATOM 0 HD2 TYR A 51 -4.899 14.501 -1.935 1.00 74.23 H new ATOM 0 HE1 TYR A 51 -2.185 10.486 -3.038 1.00 21.50 H new ATOM 0 HE2 TYR A 51 -3.813 14.325 -4.165 1.00 23.30 H new ATOM 0 HH TYR A 51 -3.391 12.326 -5.649 1.00 34.22 H new ATOM 734 N ALA A 52 -4.889 9.872 1.290 1.00 4.00 N ATOM 735 CA ALA A 52 -4.545 8.453 1.346 1.00 40.01 C ATOM 736 C ALA A 52 -5.784 7.551 1.417 1.00 2.41 C ATOM 737 O ALA A 52 -5.661 6.336 1.260 1.00 23.43 O ATOM 738 CB ALA A 52 -3.608 8.189 2.532 1.00 51.02 C ATOM 0 H ALA A 52 -4.670 10.386 2.143 1.00 4.00 H new ATOM 0 HA ALA A 52 -4.031 8.202 0.418 1.00 40.01 H new ATOM 0 HB1 ALA A 52 -3.356 7.129 2.568 1.00 51.02 H new ATOM 0 HB2 ALA A 52 -2.697 8.775 2.413 1.00 51.02 H new ATOM 0 HB3 ALA A 52 -4.105 8.475 3.459 1.00 51.02 H new ATOM 744 N LEU A 53 -6.970 8.112 1.643 1.00 73.12 N ATOM 745 CA LEU A 53 -8.221 7.408 1.893 1.00 4.34 C ATOM 746 C LEU A 53 -9.214 7.802 0.805 1.00 62.31 C ATOM 747 O LEU A 53 -10.353 8.168 1.088 1.00 4.04 O ATOM 748 CB LEU A 53 -8.704 7.744 3.319 1.00 40.14 C ATOM 749 CG LEU A 53 -7.807 7.177 4.435 1.00 14.41 C ATOM 750 CD1 LEU A 53 -8.077 7.855 5.780 1.00 71.12 C ATOM 751 CD2 LEU A 53 -8.019 5.670 4.589 1.00 51.15 C ATOM 0 H LEU A 53 -7.088 9.125 1.657 1.00 73.12 H new ATOM 0 HA LEU A 53 -8.102 6.325 1.849 1.00 4.34 H new ATOM 0 HB2 LEU A 53 -8.759 8.827 3.427 1.00 40.14 H new ATOM 0 HB3 LEU A 53 -9.715 7.359 3.449 1.00 40.14 H new ATOM 0 HG LEU A 53 -6.776 7.377 4.142 1.00 14.41 H new ATOM 0 HD11 LEU A 53 -7.424 7.427 6.541 1.00 71.12 H new ATOM 0 HD12 LEU A 53 -7.882 8.924 5.694 1.00 71.12 H new ATOM 0 HD13 LEU A 53 -9.117 7.698 6.064 1.00 71.12 H new ATOM 0 HD21 LEU A 53 -7.375 5.291 5.383 1.00 51.15 H new ATOM 0 HD22 LEU A 53 -9.061 5.473 4.842 1.00 51.15 H new ATOM 0 HD23 LEU A 53 -7.772 5.170 3.652 1.00 51.15 H new ATOM 762 N THR A 54 -8.762 7.708 -0.447 1.00 14.40 N ATOM 763 CA THR A 54 -9.557 8.032 -1.628 1.00 32.24 C ATOM 764 C THR A 54 -9.351 6.984 -2.738 1.00 31.31 C ATOM 765 O THR A 54 -9.865 7.128 -3.847 1.00 62.43 O ATOM 766 CB THR A 54 -9.215 9.483 -2.025 1.00 63.34 C ATOM 767 OG1 THR A 54 -10.267 10.110 -2.727 1.00 40.35 O ATOM 768 CG2 THR A 54 -7.936 9.614 -2.858 1.00 3.40 C ATOM 0 H THR A 54 -7.816 7.399 -0.670 1.00 14.40 H new ATOM 0 HA THR A 54 -10.627 7.986 -1.427 1.00 32.24 H new ATOM 0 HB THR A 54 -9.054 9.984 -1.070 1.00 63.34 H new ATOM 0 HG1 THR A 54 -10.007 11.027 -2.956 1.00 40.35 H new ATOM 0 HG21 THR A 54 -7.764 10.663 -3.097 1.00 3.40 H new ATOM 0 HG22 THR A 54 -7.090 9.228 -2.289 1.00 3.40 H new ATOM 0 HG23 THR A 54 -8.043 9.044 -3.781 1.00 3.40 H new ATOM 776 N VAL A 55 -8.570 5.930 -2.472 1.00 75.24 N ATOM 777 CA VAL A 55 -8.257 4.833 -3.369 1.00 63.22 C ATOM 778 C VAL A 55 -8.323 3.500 -2.597 1.00 12.14 C ATOM 779 O VAL A 55 -7.470 2.621 -2.732 1.00 31.53 O ATOM 780 CB VAL A 55 -6.894 5.088 -4.024 1.00 75.42 C ATOM 781 CG1 VAL A 55 -6.955 6.185 -5.097 1.00 2.40 C ATOM 782 CG2 VAL A 55 -5.775 5.418 -3.020 1.00 1.21 C ATOM 0 H VAL A 55 -8.116 5.823 -1.565 1.00 75.24 H new ATOM 0 HA VAL A 55 -8.990 4.766 -4.173 1.00 63.22 H new ATOM 0 HB VAL A 55 -6.643 4.139 -4.498 1.00 75.42 H new ATOM 0 HG11 VAL A 55 -5.964 6.327 -5.529 1.00 2.40 H new ATOM 0 HG12 VAL A 55 -7.654 5.890 -5.880 1.00 2.40 H new ATOM 0 HG13 VAL A 55 -7.290 7.118 -4.645 1.00 2.40 H new ATOM 0 HG21 VAL A 55 -4.842 5.586 -3.558 1.00 1.21 H new ATOM 0 HG22 VAL A 55 -6.039 6.317 -2.463 1.00 1.21 H new ATOM 0 HG23 VAL A 55 -5.650 4.586 -2.328 1.00 1.21 H new ATOM 792 N VAL A 56 -9.343 3.348 -1.752 1.00 0.41 N ATOM 793 CA VAL A 56 -9.538 2.184 -0.874 1.00 52.14 C ATOM 794 C VAL A 56 -10.994 1.703 -1.008 1.00 12.21 C ATOM 795 O VAL A 56 -11.612 1.190 -0.076 1.00 20.14 O ATOM 796 CB VAL A 56 -9.119 2.521 0.583 1.00 60.41 C ATOM 797 CG1 VAL A 56 -8.876 1.206 1.335 1.00 31.32 C ATOM 798 CG2 VAL A 56 -7.868 3.411 0.679 1.00 20.44 C ATOM 0 H VAL A 56 -10.079 4.048 -1.653 1.00 0.41 H new ATOM 0 HA VAL A 56 -8.893 1.359 -1.176 1.00 52.14 H new ATOM 0 HB VAL A 56 -9.931 3.095 1.029 1.00 60.41 H new ATOM 0 HG11 VAL A 56 -8.580 1.423 2.361 1.00 31.32 H new ATOM 0 HG12 VAL A 56 -9.791 0.614 1.338 1.00 31.32 H new ATOM 0 HG13 VAL A 56 -8.083 0.645 0.840 1.00 31.32 H new ATOM 0 HG21 VAL A 56 -7.638 3.603 1.727 1.00 20.44 H new ATOM 0 HG22 VAL A 56 -7.025 2.905 0.209 1.00 20.44 H new ATOM 0 HG23 VAL A 56 -8.054 4.356 0.169 1.00 20.44 H new ATOM 915 N GLU A 66 -4.058 0.295 -14.655 1.00 35.53 N ATOM 916 CA GLU A 66 -3.540 1.290 -15.588 1.00 74.24 C ATOM 917 C GLU A 66 -4.256 2.639 -15.448 1.00 20.15 C ATOM 918 O GLU A 66 -3.784 3.644 -15.981 1.00 61.44 O ATOM 919 CB GLU A 66 -3.697 0.725 -17.009 1.00 13.12 C ATOM 920 CG GLU A 66 -2.558 -0.248 -17.364 1.00 41.44 C ATOM 921 CD GLU A 66 -1.765 0.231 -18.583 1.00 0.04 C ATOM 922 OE1 GLU A 66 -1.230 1.362 -18.542 1.00 22.23 O ATOM 923 OE2 GLU A 66 -1.619 -0.507 -19.584 1.00 52.24 O ATOM 0 HA GLU A 66 -2.490 1.483 -15.368 1.00 74.24 H new ATOM 0 HB2 GLU A 66 -4.654 0.211 -17.092 1.00 13.12 H new ATOM 0 HB3 GLU A 66 -3.712 1.545 -17.727 1.00 13.12 H new ATOM 0 HG2 GLU A 66 -1.888 -0.351 -16.511 1.00 41.44 H new ATOM 0 HG3 GLU A 66 -2.972 -1.236 -17.564 1.00 41.44 H new ATOM 928 N ASP A 67 -5.391 2.686 -14.749 1.00 23.24 N ATOM 929 CA ASP A 67 -6.260 3.863 -14.723 1.00 41.12 C ATOM 930 C ASP A 67 -5.867 4.832 -13.608 1.00 63.55 C ATOM 931 O ASP A 67 -5.924 6.055 -13.783 1.00 33.20 O ATOM 932 CB ASP A 67 -7.724 3.425 -14.569 1.00 62.51 C ATOM 933 CG ASP A 67 -8.595 4.272 -15.483 1.00 12.02 C ATOM 934 OD1 ASP A 67 -8.996 5.387 -15.089 1.00 15.44 O ATOM 935 OD2 ASP A 67 -8.797 3.873 -16.654 1.00 41.42 O ATOM 0 H ASP A 67 -5.734 1.909 -14.185 1.00 23.24 H new ATOM 0 HA ASP A 67 -6.141 4.393 -15.668 1.00 41.12 H new ATOM 0 HB2 ASP A 67 -7.829 2.370 -14.821 1.00 62.51 H new ATOM 0 HB3 ASP A 67 -8.044 3.539 -13.533 1.00 62.51 H new ATOM 939 N VAL A 68 -5.409 4.286 -12.477 1.00 75.23 N ATOM 940 CA VAL A 68 -4.930 5.037 -11.324 1.00 75.35 C ATOM 941 C VAL A 68 -3.720 5.888 -11.710 1.00 15.03 C ATOM 942 O VAL A 68 -3.602 6.997 -11.192 1.00 24.51 O ATOM 943 CB VAL A 68 -4.657 4.047 -10.169 1.00 22.11 C ATOM 944 CG1 VAL A 68 -3.855 4.618 -8.991 1.00 1.34 C ATOM 945 CG2 VAL A 68 -6.000 3.561 -9.616 1.00 74.23 C ATOM 0 H VAL A 68 -5.362 3.276 -12.340 1.00 75.23 H new ATOM 0 HA VAL A 68 -5.683 5.743 -10.975 1.00 75.35 H new ATOM 0 HB VAL A 68 -4.050 3.253 -10.604 1.00 22.11 H new ATOM 0 HG11 VAL A 68 -3.718 3.845 -8.235 1.00 1.34 H new ATOM 0 HG12 VAL A 68 -2.881 4.957 -9.344 1.00 1.34 H new ATOM 0 HG13 VAL A 68 -4.396 5.459 -8.556 1.00 1.34 H new ATOM 0 HG21 VAL A 68 -5.825 2.861 -8.799 1.00 74.23 H new ATOM 0 HG22 VAL A 68 -6.571 4.413 -9.248 1.00 74.23 H new ATOM 0 HG23 VAL A 68 -6.560 3.063 -10.407 1.00 74.23 H new ATOM 955 N PHE A 69 -2.885 5.451 -12.667 1.00 13.02 N ATOM 956 CA PHE A 69 -1.806 6.280 -13.201 1.00 33.34 C ATOM 957 C PHE A 69 -2.356 7.649 -13.592 1.00 23.13 C ATOM 958 O PHE A 69 -1.904 8.657 -13.065 1.00 61.13 O ATOM 959 CB PHE A 69 -1.119 5.610 -14.400 1.00 42.30 C ATOM 960 CG PHE A 69 -0.088 6.508 -15.062 1.00 34.55 C ATOM 961 CD1 PHE A 69 1.229 6.592 -14.564 1.00 73.40 C ATOM 962 CD2 PHE A 69 -0.463 7.313 -16.157 1.00 55.45 C ATOM 963 CE1 PHE A 69 2.138 7.488 -15.148 1.00 73.34 C ATOM 964 CE2 PHE A 69 0.459 8.192 -16.746 1.00 74.41 C ATOM 965 CZ PHE A 69 1.759 8.293 -16.234 1.00 15.04 C ATOM 0 H PHE A 69 -2.942 4.522 -13.085 1.00 13.02 H new ATOM 0 HA PHE A 69 -1.052 6.403 -12.423 1.00 33.34 H new ATOM 0 HB2 PHE A 69 -0.635 4.691 -14.069 1.00 42.30 H new ATOM 0 HB3 PHE A 69 -1.873 5.327 -15.134 1.00 42.30 H new ATOM 0 HD1 PHE A 69 1.537 5.970 -13.737 1.00 73.40 H new ATOM 0 HD2 PHE A 69 -1.469 7.253 -16.546 1.00 55.45 H new ATOM 0 HE1 PHE A 69 3.142 7.559 -14.757 1.00 73.34 H new ATOM 0 HE2 PHE A 69 0.166 8.791 -17.595 1.00 74.41 H new ATOM 0 HZ PHE A 69 2.464 8.985 -16.671 1.00 15.04 H new ATOM 974 N ARG A 70 -3.374 7.707 -14.457 1.00 73.33 N ATOM 975 CA ARG A 70 -3.927 8.972 -14.941 1.00 42.44 C ATOM 976 C ARG A 70 -4.600 9.786 -13.833 1.00 24.43 C ATOM 977 O ARG A 70 -4.752 11.003 -13.957 1.00 23.41 O ATOM 978 CB ARG A 70 -4.905 8.670 -16.091 1.00 12.40 C ATOM 979 CG ARG A 70 -5.011 9.822 -17.096 1.00 11.14 C ATOM 980 CD ARG A 70 -6.068 10.867 -16.750 1.00 52.11 C ATOM 981 NE ARG A 70 -7.171 10.830 -17.712 1.00 20.30 N ATOM 982 CZ ARG A 70 -8.393 11.324 -17.539 1.00 12.31 C ATOM 983 NH1 ARG A 70 -8.707 12.005 -16.440 1.00 15.11 N ATOM 984 NH2 ARG A 70 -9.300 11.125 -18.480 1.00 54.14 N ATOM 0 H ARG A 70 -3.835 6.881 -14.839 1.00 73.33 H new ATOM 0 HA ARG A 70 -3.108 9.594 -15.303 1.00 42.44 H new ATOM 0 HB2 ARG A 70 -4.581 7.769 -16.611 1.00 12.40 H new ATOM 0 HB3 ARG A 70 -5.892 8.462 -15.678 1.00 12.40 H new ATOM 0 HG2 ARG A 70 -4.041 10.314 -17.169 1.00 11.14 H new ATOM 0 HG3 ARG A 70 -5.234 9.410 -18.080 1.00 11.14 H new ATOM 0 HD2 ARG A 70 -6.450 10.686 -15.745 1.00 52.11 H new ATOM 0 HD3 ARG A 70 -5.617 11.859 -16.745 1.00 52.11 H new ATOM 0 HE ARG A 70 -6.982 10.379 -18.607 1.00 20.30 H new ATOM 0 HH11 ARG A 70 -8.005 12.155 -15.715 1.00 15.11 H new ATOM 0 HH12 ARG A 70 -9.649 12.378 -16.323 1.00 15.11 H new ATOM 0 HH21 ARG A 70 -9.057 10.600 -19.320 1.00 54.14 H new ATOM 0 HH22 ARG A 70 -10.243 11.496 -18.366 1.00 54.14 H new ATOM 995 N LYS A 71 -5.041 9.136 -12.756 1.00 32.34 N ATOM 996 CA LYS A 71 -5.637 9.818 -11.614 1.00 71.22 C ATOM 997 C LYS A 71 -4.553 10.509 -10.790 1.00 31.31 C ATOM 998 O LYS A 71 -4.779 11.602 -10.278 1.00 43.33 O ATOM 999 CB LYS A 71 -6.459 8.833 -10.760 1.00 14.40 C ATOM 1000 CG LYS A 71 -7.679 9.556 -10.166 1.00 73.35 C ATOM 1001 CD LYS A 71 -8.403 8.775 -9.065 1.00 33.11 C ATOM 1002 CE LYS A 71 -7.651 8.876 -7.736 1.00 73.51 C ATOM 1003 NZ LYS A 71 -8.554 8.765 -6.574 1.00 75.22 N ATOM 0 H LYS A 71 -4.994 8.122 -12.654 1.00 32.34 H new ATOM 0 HA LYS A 71 -6.322 10.584 -11.977 1.00 71.22 H new ATOM 0 HB2 LYS A 71 -6.785 7.991 -11.371 1.00 14.40 H new ATOM 0 HB3 LYS A 71 -5.840 8.426 -9.960 1.00 14.40 H new ATOM 0 HG2 LYS A 71 -7.356 10.515 -9.762 1.00 73.35 H new ATOM 0 HG3 LYS A 71 -8.386 9.769 -10.968 1.00 73.35 H new ATOM 0 HD2 LYS A 71 -9.415 9.162 -8.945 1.00 33.11 H new ATOM 0 HD3 LYS A 71 -8.495 7.729 -9.357 1.00 33.11 H new ATOM 0 HE2 LYS A 71 -6.899 8.089 -7.686 1.00 73.51 H new ATOM 0 HE3 LYS A 71 -7.121 9.827 -7.692 1.00 73.51 H new ATOM 0 HZ1 LYS A 71 -8.166 9.312 -5.779 1.00 75.22 H new ATOM 0 HZ2 LYS A 71 -9.491 9.138 -6.826 1.00 75.22 H new ATOM 0 HZ3 LYS A 71 -8.642 7.766 -6.297 1.00 75.22 H new ATOM 1013 N LEU A 72 -3.384 9.882 -10.655 1.00 15.24 N ATOM 1014 CA LEU A 72 -2.284 10.391 -9.845 1.00 2.23 C ATOM 1015 C LEU A 72 -1.388 11.322 -10.651 1.00 43.05 C ATOM 1016 O LEU A 72 -0.855 12.270 -10.089 1.00 12.32 O ATOM 1017 CB LEU A 72 -1.480 9.216 -9.257 1.00 21.52 C ATOM 1018 CG LEU A 72 -2.024 8.679 -7.921 1.00 14.20 C ATOM 1019 CD1 LEU A 72 -1.731 9.694 -6.825 1.00 40.24 C ATOM 1020 CD2 LEU A 72 -3.515 8.317 -7.913 1.00 15.04 C ATOM 0 H LEU A 72 -3.175 8.995 -11.113 1.00 15.24 H new ATOM 0 HA LEU A 72 -2.699 10.975 -9.024 1.00 2.23 H new ATOM 0 HB2 LEU A 72 -1.465 8.403 -9.983 1.00 21.52 H new ATOM 0 HB3 LEU A 72 -0.447 9.534 -9.113 1.00 21.52 H new ATOM 0 HG LEU A 72 -1.508 7.734 -7.748 1.00 14.20 H new ATOM 0 HD11 LEU A 72 -2.113 9.323 -5.874 1.00 40.24 H new ATOM 0 HD12 LEU A 72 -0.654 9.847 -6.749 1.00 40.24 H new ATOM 0 HD13 LEU A 72 -2.216 10.640 -7.066 1.00 40.24 H new ATOM 0 HD21 LEU A 72 -3.795 7.950 -6.926 1.00 15.04 H new ATOM 0 HD22 LEU A 72 -4.105 9.202 -8.152 1.00 15.04 H new ATOM 0 HD23 LEU A 72 -3.705 7.542 -8.656 1.00 15.04 H new ATOM 1031 N ALA A 73 -1.255 11.102 -11.956 1.00 74.13 N ATOM 1032 CA ALA A 73 -0.556 11.995 -12.864 1.00 74.45 C ATOM 1033 C ALA A 73 -1.258 13.348 -12.970 1.00 53.25 C ATOM 1034 O ALA A 73 -0.623 14.315 -13.371 1.00 15.02 O ATOM 1035 CB ALA A 73 -0.432 11.324 -14.235 1.00 35.43 C ATOM 0 H ALA A 73 -1.640 10.278 -12.418 1.00 74.13 H new ATOM 0 HA ALA A 73 0.442 12.189 -12.470 1.00 74.45 H new ATOM 0 HB1 ALA A 73 0.092 11.990 -14.920 1.00 35.43 H new ATOM 0 HB2 ALA A 73 0.127 10.393 -14.135 1.00 35.43 H new ATOM 0 HB3 ALA A 73 -1.426 11.110 -14.627 1.00 35.43 H new ATOM 1041 N ALA A 74 -2.541 13.444 -12.600 1.00 75.45 N ATOM 1042 CA ALA A 74 -3.184 14.737 -12.412 1.00 53.34 C ATOM 1043 C ALA A 74 -2.587 15.447 -11.197 1.00 32.10 C ATOM 1044 O ALA A 74 -2.189 16.608 -11.276 1.00 53.21 O ATOM 1045 CB ALA A 74 -4.691 14.548 -12.226 1.00 72.43 C ATOM 0 H ALA A 74 -3.147 12.642 -12.427 1.00 75.45 H new ATOM 0 HA ALA A 74 -3.012 15.351 -13.296 1.00 53.34 H new ATOM 0 HB1 ALA A 74 -5.165 15.520 -12.086 1.00 72.43 H new ATOM 0 HB2 ALA A 74 -5.109 14.064 -13.109 1.00 72.43 H new ATOM 0 HB3 ALA A 74 -4.874 13.925 -11.350 1.00 72.43 H new ATOM 1051 N ASP A 75 -2.561 14.752 -10.060 1.00 21.34 N ATOM 1052 CA ASP A 75 -2.148 15.297 -8.772 1.00 43.02 C ATOM 1053 C ASP A 75 -0.683 15.717 -8.820 1.00 22.30 C ATOM 1054 O ASP A 75 -0.353 16.866 -8.520 1.00 35.41 O ATOM 1055 CB ASP A 75 -2.365 14.253 -7.666 1.00 71.42 C ATOM 1056 CG ASP A 75 -3.593 14.523 -6.805 1.00 33.41 C ATOM 1057 OD1 ASP A 75 -3.744 15.636 -6.253 1.00 32.22 O ATOM 1058 OD2 ASP A 75 -4.334 13.546 -6.547 1.00 12.03 O ATOM 0 H ASP A 75 -2.834 13.770 -10.011 1.00 21.34 H new ATOM 0 HA ASP A 75 -2.754 16.176 -8.552 1.00 43.02 H new ATOM 0 HB2 ASP A 75 -2.461 13.268 -8.122 1.00 71.42 H new ATOM 0 HB3 ASP A 75 -1.483 14.224 -7.027 1.00 71.42 H new ATOM 1062 N LEU A 76 0.215 14.796 -9.187 1.00 1.24 N ATOM 1063 CA LEU A 76 1.645 15.052 -9.214 1.00 35.13 C ATOM 1064 C LEU A 76 2.113 15.712 -10.511 1.00 75.04 C ATOM 1065 O LEU A 76 3.320 15.739 -10.739 1.00 21.30 O ATOM 1066 CB LEU A 76 2.449 13.771 -8.955 1.00 20.12 C ATOM 1067 CG LEU A 76 2.244 13.058 -7.611 1.00 40.15 C ATOM 1068 CD1 LEU A 76 2.036 13.989 -6.408 1.00 61.04 C ATOM 1069 CD2 LEU A 76 1.134 12.024 -7.708 1.00 4.01 C ATOM 0 H LEU A 76 -0.039 13.851 -9.473 1.00 1.24 H new ATOM 0 HA LEU A 76 1.833 15.760 -8.407 1.00 35.13 H new ATOM 0 HB2 LEU A 76 2.215 13.062 -9.749 1.00 20.12 H new ATOM 0 HB3 LEU A 76 3.507 14.015 -9.047 1.00 20.12 H new ATOM 0 HG LEU A 76 3.189 12.554 -7.410 1.00 40.15 H new ATOM 0 HD11 LEU A 76 1.900 13.393 -5.506 1.00 61.04 H new ATOM 0 HD12 LEU A 76 2.908 14.632 -6.290 1.00 61.04 H new ATOM 0 HD13 LEU A 76 1.152 14.604 -6.573 1.00 61.04 H new ATOM 0 HD21 LEU A 76 1.009 11.533 -6.743 1.00 4.01 H new ATOM 0 HD22 LEU A 76 0.202 12.515 -7.989 1.00 4.01 H new ATOM 0 HD23 LEU A 76 1.394 11.281 -8.462 1.00 4.01 H new ATOM 1080 N GLU A 77 1.217 16.251 -11.343 1.00 21.31 N ATOM 1081 CA GLU A 77 1.589 17.069 -12.493 1.00 24.24 C ATOM 1082 C GLU A 77 2.486 18.202 -11.975 1.00 71.22 C ATOM 1083 O GLU A 77 2.007 19.076 -11.240 1.00 34.34 O ATOM 1084 CB GLU A 77 0.329 17.623 -13.185 1.00 61.13 C ATOM 1085 CG GLU A 77 0.637 18.309 -14.527 1.00 11.42 C ATOM 1086 CD GLU A 77 0.286 17.429 -15.731 1.00 23.21 C ATOM 1087 OE1 GLU A 77 0.935 16.379 -15.944 1.00 22.33 O ATOM 1088 OE2 GLU A 77 -0.641 17.793 -16.496 1.00 12.14 O ATOM 0 H GLU A 77 0.210 16.130 -11.234 1.00 21.31 H new ATOM 0 HA GLU A 77 2.126 16.479 -13.236 1.00 24.24 H new ATOM 0 HB2 GLU A 77 -0.376 16.808 -13.352 1.00 61.13 H new ATOM 0 HB3 GLU A 77 -0.160 18.336 -12.522 1.00 61.13 H new ATOM 0 HG2 GLU A 77 0.080 19.244 -14.590 1.00 11.42 H new ATOM 0 HG3 GLU A 77 1.696 18.566 -14.565 1.00 11.42 H new ATOM 1093 N GLY A 78 3.785 18.159 -12.276 1.00 0.11 N ATOM 1094 CA GLY A 78 4.755 19.142 -11.820 1.00 52.12 C ATOM 1095 C GLY A 78 5.465 18.786 -10.521 1.00 20.23 C ATOM 1096 O GLY A 78 6.184 19.637 -9.982 1.00 43.12 O ATOM 0 H GLY A 78 4.194 17.425 -12.854 1.00 0.11 H new ATOM 0 HA2 GLY A 78 5.504 19.281 -12.600 1.00 52.12 H new ATOM 0 HA3 GLY A 78 4.248 20.098 -11.690 1.00 52.12 H new ATOM 1100 N LYS A 79 5.239 17.592 -9.974 1.00 1.31 N ATOM 1101 CA LYS A 79 5.832 17.101 -8.734 1.00 23.22 C ATOM 1102 C LYS A 79 6.612 15.841 -9.061 1.00 21.33 C ATOM 1103 O LYS A 79 7.815 15.778 -8.788 1.00 51.13 O ATOM 1104 CB LYS A 79 4.779 16.832 -7.630 1.00 52.13 C ATOM 1105 CG LYS A 79 3.574 17.787 -7.560 1.00 4.54 C ATOM 1106 CD LYS A 79 3.965 19.249 -7.333 1.00 35.03 C ATOM 1107 CE LYS A 79 3.861 19.697 -5.873 1.00 61.45 C ATOM 1108 NZ LYS A 79 4.408 21.057 -5.710 1.00 40.15 N ATOM 0 H LYS A 79 4.610 16.913 -10.403 1.00 1.31 H new ATOM 0 HA LYS A 79 6.490 17.869 -8.328 1.00 23.22 H new ATOM 0 HB2 LYS A 79 4.400 15.819 -7.764 1.00 52.13 H new ATOM 0 HB3 LYS A 79 5.287 16.857 -6.666 1.00 52.13 H new ATOM 0 HG2 LYS A 79 3.006 17.711 -8.487 1.00 4.54 H new ATOM 0 HG3 LYS A 79 2.913 17.467 -6.754 1.00 4.54 H new ATOM 0 HD2 LYS A 79 4.988 19.399 -7.677 1.00 35.03 H new ATOM 0 HD3 LYS A 79 3.326 19.885 -7.945 1.00 35.03 H new ATOM 0 HE2 LYS A 79 2.819 19.677 -5.554 1.00 61.45 H new ATOM 0 HE3 LYS A 79 4.404 19.001 -5.233 1.00 61.45 H new ATOM 0 HZ1 LYS A 79 4.330 21.346 -4.714 1.00 40.15 H new ATOM 0 HZ2 LYS A 79 5.408 21.065 -5.995 1.00 40.15 H new ATOM 0 HZ3 LYS A 79 3.872 21.720 -6.306 1.00 40.15 H new ATOM 1118 N ALA A 80 5.935 14.844 -9.626 1.00 72.21 N ATOM 1119 CA ALA A 80 6.498 13.526 -9.852 1.00 23.14 C ATOM 1120 C ALA A 80 5.941 13.011 -11.163 1.00 55.54 C ATOM 1121 O ALA A 80 4.729 12.860 -11.295 1.00 55.15 O ATOM 1122 CB ALA A 80 6.147 12.594 -8.694 1.00 3.50 C ATOM 0 H ALA A 80 4.969 14.935 -9.941 1.00 72.21 H new ATOM 0 HA ALA A 80 7.586 13.572 -9.905 1.00 23.14 H new ATOM 0 HB1 ALA A 80 6.576 11.609 -8.877 1.00 3.50 H new ATOM 0 HB2 ALA A 80 6.551 12.999 -7.766 1.00 3.50 H new ATOM 0 HB3 ALA A 80 5.064 12.508 -8.611 1.00 3.50 H new ATOM 1128 N ASP A 81 6.826 12.790 -12.124 1.00 15.40 N ATOM 1129 CA ASP A 81 6.481 12.461 -13.497 1.00 52.51 C ATOM 1130 C ASP A 81 6.091 10.999 -13.625 1.00 53.23 C ATOM 1131 O ASP A 81 6.155 10.222 -12.666 1.00 4.31 O ATOM 1132 CB ASP A 81 7.683 12.734 -14.403 1.00 12.40 C ATOM 1133 CG ASP A 81 8.048 14.207 -14.368 1.00 65.34 C ATOM 1134 OD1 ASP A 81 7.442 14.982 -15.145 1.00 14.22 O ATOM 1135 OD2 ASP A 81 8.892 14.613 -13.540 1.00 11.33 O ATOM 0 H ASP A 81 7.832 12.836 -11.964 1.00 15.40 H new ATOM 0 HA ASP A 81 5.633 13.078 -13.794 1.00 52.51 H new ATOM 0 HB2 ASP A 81 8.534 12.134 -14.080 1.00 12.40 H new ATOM 0 HB3 ASP A 81 7.452 12.434 -15.425 1.00 12.40 H new ATOM 1139 N GLU A 82 5.762 10.604 -14.854 1.00 33.04 N ATOM 1140 CA GLU A 82 5.423 9.249 -15.244 1.00 13.31 C ATOM 1141 C GLU A 82 6.398 8.228 -14.659 1.00 14.15 C ATOM 1142 O GLU A 82 5.995 7.253 -14.018 1.00 41.10 O ATOM 1143 CB GLU A 82 5.416 9.205 -16.779 1.00 42.44 C ATOM 1144 CG GLU A 82 5.288 7.795 -17.392 1.00 32.43 C ATOM 1145 CD GLU A 82 5.590 7.779 -18.894 1.00 64.13 C ATOM 1146 OE1 GLU A 82 5.698 8.869 -19.509 1.00 40.44 O ATOM 1147 OE2 GLU A 82 5.726 6.672 -19.456 1.00 72.14 O ATOM 0 H GLU A 82 5.725 11.256 -15.637 1.00 33.04 H new ATOM 0 HA GLU A 82 4.443 8.980 -14.851 1.00 13.31 H new ATOM 0 HB2 GLU A 82 4.591 9.818 -17.141 1.00 42.44 H new ATOM 0 HB3 GLU A 82 6.336 9.661 -17.144 1.00 42.44 H new ATOM 0 HG2 GLU A 82 5.970 7.116 -16.880 1.00 32.43 H new ATOM 0 HG3 GLU A 82 4.279 7.419 -17.223 1.00 32.43 H new ATOM 1152 N GLU A 83 7.680 8.511 -14.885 1.00 21.03 N ATOM 1153 CA GLU A 83 8.841 7.707 -14.545 1.00 65.22 C ATOM 1154 C GLU A 83 8.956 7.450 -13.041 1.00 33.22 C ATOM 1155 O GLU A 83 9.646 6.513 -12.629 1.00 2.23 O ATOM 1156 CB GLU A 83 10.054 8.475 -15.087 1.00 44.51 C ATOM 1157 CG GLU A 83 11.406 7.796 -14.844 1.00 1.44 C ATOM 1158 CD GLU A 83 12.520 8.588 -15.514 1.00 4.15 C ATOM 1159 OE1 GLU A 83 12.603 8.563 -16.766 1.00 5.12 O ATOM 1160 OE2 GLU A 83 13.297 9.247 -14.789 1.00 72.21 O ATOM 0 H GLU A 83 7.949 9.379 -15.348 1.00 21.03 H new ATOM 0 HA GLU A 83 8.767 6.714 -14.988 1.00 65.22 H new ATOM 0 HB2 GLU A 83 9.924 8.621 -16.159 1.00 44.51 H new ATOM 0 HB3 GLU A 83 10.073 9.465 -14.631 1.00 44.51 H new ATOM 0 HG2 GLU A 83 11.596 7.721 -13.773 1.00 1.44 H new ATOM 0 HG3 GLU A 83 11.386 6.779 -15.236 1.00 1.44 H new ATOM 1165 N THR A 84 8.283 8.252 -12.223 1.00 2.21 N ATOM 1166 CA THR A 84 8.276 8.140 -10.783 1.00 12.25 C ATOM 1167 C THR A 84 6.943 7.532 -10.355 1.00 22.13 C ATOM 1168 O THR A 84 6.954 6.518 -9.671 1.00 72.00 O ATOM 1169 CB THR A 84 8.564 9.517 -10.173 1.00 4.41 C ATOM 1170 OG1 THR A 84 9.755 10.058 -10.714 1.00 42.23 O ATOM 1171 CG2 THR A 84 8.713 9.413 -8.661 1.00 3.30 C ATOM 0 H THR A 84 7.709 9.023 -12.565 1.00 2.21 H new ATOM 0 HA THR A 84 9.059 7.476 -10.416 1.00 12.25 H new ATOM 0 HB THR A 84 7.724 10.170 -10.411 1.00 4.41 H new ATOM 0 HG1 THR A 84 9.925 10.938 -10.317 1.00 42.23 H new ATOM 0 HG21 THR A 84 8.917 10.400 -8.247 1.00 3.30 H new ATOM 0 HG22 THR A 84 7.791 9.022 -8.231 1.00 3.30 H new ATOM 0 HG23 THR A 84 9.538 8.742 -8.422 1.00 3.30 H new ATOM 1179 N ILE A 85 5.792 8.061 -10.780 1.00 32.32 N ATOM 1180 CA ILE A 85 4.463 7.546 -10.440 1.00 55.12 C ATOM 1181 C ILE A 85 4.385 6.033 -10.642 1.00 21.22 C ATOM 1182 O ILE A 85 4.075 5.301 -9.697 1.00 42.00 O ATOM 1183 CB ILE A 85 3.405 8.244 -11.310 1.00 24.53 C ATOM 1184 CG1 ILE A 85 3.361 9.763 -11.029 1.00 54.32 C ATOM 1185 CG2 ILE A 85 1.994 7.652 -11.084 1.00 74.33 C ATOM 1186 CD1 ILE A 85 2.646 10.538 -12.140 1.00 14.54 C ATOM 0 H ILE A 85 5.758 8.881 -11.386 1.00 32.32 H new ATOM 0 HA ILE A 85 4.273 7.755 -9.387 1.00 55.12 H new ATOM 0 HB ILE A 85 3.698 8.075 -12.346 1.00 24.53 H new ATOM 0 HG12 ILE A 85 2.854 9.940 -10.081 1.00 54.32 H new ATOM 0 HG13 ILE A 85 4.378 10.140 -10.922 1.00 54.32 H new ATOM 0 HG21 ILE A 85 1.275 8.172 -11.717 1.00 74.33 H new ATOM 0 HG22 ILE A 85 1.999 6.592 -11.337 1.00 74.33 H new ATOM 0 HG23 ILE A 85 1.711 7.774 -10.038 1.00 74.33 H new ATOM 0 HD11 ILE A 85 2.641 11.601 -11.897 1.00 14.54 H new ATOM 0 HD12 ILE A 85 3.168 10.384 -13.085 1.00 14.54 H new ATOM 0 HD13 ILE A 85 1.620 10.181 -12.230 1.00 14.54 H new ATOM 1197 N ARG A 86 4.640 5.558 -11.868 1.00 1.31 N ATOM 1198 CA ARG A 86 4.554 4.129 -12.157 1.00 43.13 C ATOM 1199 C ARG A 86 5.584 3.385 -11.323 1.00 13.03 C ATOM 1200 O ARG A 86 5.274 2.308 -10.822 1.00 14.13 O ATOM 1201 CB ARG A 86 4.752 3.855 -13.656 1.00 35.41 C ATOM 1202 CG ARG A 86 3.578 4.345 -14.490 1.00 61.42 C ATOM 1203 CD ARG A 86 3.594 3.873 -15.945 1.00 72.32 C ATOM 1204 NE ARG A 86 2.815 2.634 -16.095 1.00 74.13 N ATOM 1205 CZ ARG A 86 1.987 2.349 -17.105 1.00 11.12 C ATOM 1206 NH1 ARG A 86 2.000 3.046 -18.234 1.00 53.44 N ATOM 1207 NH2 ARG A 86 1.108 1.368 -16.956 1.00 55.24 N ATOM 0 H ARG A 86 4.904 6.138 -12.664 1.00 1.31 H new ATOM 0 HA ARG A 86 3.558 3.772 -11.894 1.00 43.13 H new ATOM 0 HB2 ARG A 86 5.665 4.344 -13.995 1.00 35.41 H new ATOM 0 HB3 ARG A 86 4.886 2.785 -13.813 1.00 35.41 H new ATOM 0 HG2 ARG A 86 2.652 4.011 -14.023 1.00 61.42 H new ATOM 0 HG3 ARG A 86 3.567 5.435 -14.475 1.00 61.42 H new ATOM 0 HD2 ARG A 86 3.181 4.649 -16.589 1.00 72.32 H new ATOM 0 HD3 ARG A 86 4.622 3.704 -16.267 1.00 72.32 H new ATOM 0 HE ARG A 86 2.916 1.930 -15.364 1.00 74.13 H new ATOM 0 HH11 ARG A 86 2.653 3.821 -18.347 1.00 53.44 H new ATOM 0 HH12 ARG A 86 1.357 2.807 -18.989 1.00 53.44 H new ATOM 0 HH21 ARG A 86 1.071 0.845 -16.081 1.00 55.24 H new ATOM 0 HH22 ARG A 86 0.468 1.137 -17.716 1.00 55.24 H new ATOM 1218 N ALA A 87 6.751 3.990 -11.088 1.00 15.25 N ATOM 1219 CA ALA A 87 7.800 3.365 -10.283 1.00 20.21 C ATOM 1220 C ALA A 87 7.304 3.108 -8.867 1.00 71.14 C ATOM 1221 O ALA A 87 7.420 1.994 -8.360 1.00 73.43 O ATOM 1222 CB ALA A 87 9.113 4.154 -10.297 1.00 61.41 C ATOM 0 H ALA A 87 6.992 4.914 -11.445 1.00 15.25 H new ATOM 0 HA ALA A 87 8.031 2.404 -10.743 1.00 20.21 H new ATOM 0 HB1 ALA A 87 9.852 3.641 -9.682 1.00 61.41 H new ATOM 0 HB2 ALA A 87 9.481 4.230 -11.320 1.00 61.41 H new ATOM 0 HB3 ALA A 87 8.941 5.154 -9.899 1.00 61.41 H new ATOM 1228 N LYS A 88 6.687 4.111 -8.242 1.00 42.11 N ATOM 1229 CA LYS A 88 6.081 3.980 -6.926 1.00 71.04 C ATOM 1230 C LYS A 88 5.003 2.922 -6.961 1.00 20.53 C ATOM 1231 O LYS A 88 4.973 2.081 -6.075 1.00 75.52 O ATOM 1232 CB LYS A 88 5.476 5.307 -6.462 1.00 35.15 C ATOM 1233 CG LYS A 88 6.502 6.444 -6.348 1.00 2.43 C ATOM 1234 CD LYS A 88 7.737 6.205 -5.467 1.00 74.30 C ATOM 1235 CE LYS A 88 8.883 5.648 -6.326 1.00 44.40 C ATOM 1236 NZ LYS A 88 10.064 5.263 -5.539 1.00 42.24 N ATOM 0 H LYS A 88 6.595 5.044 -8.643 1.00 42.11 H new ATOM 0 HA LYS A 88 6.861 3.691 -6.222 1.00 71.04 H new ATOM 0 HB2 LYS A 88 4.693 5.604 -7.160 1.00 35.15 H new ATOM 0 HB3 LYS A 88 5.000 5.160 -5.493 1.00 35.15 H new ATOM 0 HG2 LYS A 88 6.848 6.685 -7.353 1.00 2.43 H new ATOM 0 HG3 LYS A 88 5.985 7.326 -5.969 1.00 2.43 H new ATOM 0 HD2 LYS A 88 8.044 7.137 -4.993 1.00 74.30 H new ATOM 0 HD3 LYS A 88 7.496 5.505 -4.667 1.00 74.30 H new ATOM 0 HE2 LYS A 88 8.525 4.780 -6.879 1.00 44.40 H new ATOM 0 HE3 LYS A 88 9.174 6.397 -7.062 1.00 44.40 H new ATOM 0 HZ1 LYS A 88 10.800 4.896 -6.175 1.00 42.24 H new ATOM 0 HZ2 LYS A 88 10.429 6.094 -5.031 1.00 42.24 H new ATOM 0 HZ3 LYS A 88 9.800 4.527 -4.854 1.00 42.24 H new ATOM 1246 N MET A 89 4.101 2.955 -7.941 1.00 54.14 N ATOM 1247 CA MET A 89 3.046 1.960 -8.007 1.00 2.34 C ATOM 1248 C MET A 89 3.662 0.554 -8.002 1.00 2.21 C ATOM 1249 O MET A 89 3.255 -0.272 -7.185 1.00 43.04 O ATOM 1250 CB MET A 89 2.133 2.219 -9.209 1.00 31.15 C ATOM 1251 CG MET A 89 1.078 1.104 -9.275 1.00 74.54 C ATOM 1252 SD MET A 89 -0.066 1.132 -10.669 1.00 74.42 S ATOM 1253 CE MET A 89 -1.218 2.426 -10.141 1.00 23.31 C ATOM 0 H MET A 89 4.083 3.651 -8.687 1.00 54.14 H new ATOM 0 HA MET A 89 2.409 2.034 -7.126 1.00 2.34 H new ATOM 0 HB2 MET A 89 1.650 3.191 -9.114 1.00 31.15 H new ATOM 0 HB3 MET A 89 2.717 2.242 -10.129 1.00 31.15 H new ATOM 0 HG2 MET A 89 1.599 0.147 -9.285 1.00 74.54 H new ATOM 0 HG3 MET A 89 0.492 1.139 -8.357 1.00 74.54 H new ATOM 0 HE1 MET A 89 -1.793 2.773 -10.999 1.00 23.31 H new ATOM 0 HE2 MET A 89 -1.896 2.024 -9.388 1.00 23.31 H new ATOM 0 HE3 MET A 89 -0.659 3.260 -9.718 1.00 23.31 H new ATOM 1261 N VAL A 90 4.629 0.272 -8.876 1.00 41.31 N ATOM 1262 CA VAL A 90 5.278 -1.028 -8.999 1.00 12.44 C ATOM 1263 C VAL A 90 5.976 -1.398 -7.681 1.00 12.42 C ATOM 1264 O VAL A 90 5.621 -2.418 -7.082 1.00 75.44 O ATOM 1265 CB VAL A 90 6.218 -1.007 -10.224 1.00 15.22 C ATOM 1266 CG1 VAL A 90 7.028 -2.304 -10.349 1.00 3.03 C ATOM 1267 CG2 VAL A 90 5.412 -0.840 -11.526 1.00 12.12 C ATOM 0 H VAL A 90 4.990 0.962 -9.534 1.00 41.31 H new ATOM 0 HA VAL A 90 4.545 -1.816 -9.175 1.00 12.44 H new ATOM 0 HB VAL A 90 6.895 -0.166 -10.074 1.00 15.22 H new ATOM 0 HG11 VAL A 90 7.676 -2.246 -11.224 1.00 3.03 H new ATOM 0 HG12 VAL A 90 7.637 -2.440 -9.455 1.00 3.03 H new ATOM 0 HG13 VAL A 90 6.348 -3.149 -10.457 1.00 3.03 H new ATOM 0 HG21 VAL A 90 6.093 -0.828 -12.377 1.00 12.12 H new ATOM 0 HG22 VAL A 90 4.715 -1.671 -11.631 1.00 12.12 H new ATOM 0 HG23 VAL A 90 4.857 0.097 -11.492 1.00 12.12 H new ATOM 1277 N GLU A 91 6.901 -0.565 -7.196 1.00 11.22 N ATOM 1278 CA GLU A 91 7.748 -0.788 -6.016 1.00 42.44 C ATOM 1279 C GLU A 91 6.993 -0.573 -4.694 1.00 13.01 C ATOM 1280 O GLU A 91 7.572 -0.372 -3.628 1.00 12.25 O ATOM 1281 CB GLU A 91 8.999 0.095 -6.145 1.00 30.23 C ATOM 1282 CG GLU A 91 10.105 -0.236 -5.122 1.00 65.43 C ATOM 1283 CD GLU A 91 11.481 -0.321 -5.774 1.00 24.41 C ATOM 1284 OE1 GLU A 91 12.003 0.727 -6.225 1.00 64.30 O ATOM 1285 OE2 GLU A 91 12.025 -1.452 -5.849 1.00 63.13 O ATOM 0 H GLU A 91 7.091 0.334 -7.639 1.00 11.22 H new ATOM 0 HA GLU A 91 8.054 -1.834 -5.983 1.00 42.44 H new ATOM 0 HB2 GLU A 91 9.405 -0.011 -7.151 1.00 30.23 H new ATOM 0 HB3 GLU A 91 8.709 1.139 -6.027 1.00 30.23 H new ATOM 0 HG2 GLU A 91 10.119 0.527 -4.344 1.00 65.43 H new ATOM 0 HG3 GLU A 91 9.876 -1.184 -4.635 1.00 65.43 H new ATOM 1290 N LEU A 92 5.665 -0.616 -4.752 1.00 73.24 N ATOM 1291 CA LEU A 92 4.772 -0.674 -3.610 1.00 14.12 C ATOM 1292 C LEU A 92 3.818 -1.853 -3.804 1.00 40.12 C ATOM 1293 O LEU A 92 3.574 -2.617 -2.872 1.00 23.12 O ATOM 1294 CB LEU A 92 4.074 0.686 -3.428 1.00 63.43 C ATOM 1295 CG LEU A 92 5.069 1.829 -3.048 1.00 20.45 C ATOM 1296 CD1 LEU A 92 4.349 3.176 -2.956 1.00 53.23 C ATOM 1297 CD2 LEU A 92 5.848 1.662 -1.746 1.00 60.30 C ATOM 0 H LEU A 92 5.164 -0.611 -5.640 1.00 73.24 H new ATOM 0 HA LEU A 92 5.312 -0.852 -2.680 1.00 14.12 H new ATOM 0 HB2 LEU A 92 3.558 0.951 -4.351 1.00 63.43 H new ATOM 0 HB3 LEU A 92 3.314 0.599 -2.652 1.00 63.43 H new ATOM 0 HG LEU A 92 5.794 1.781 -3.861 1.00 20.45 H new ATOM 0 HD11 LEU A 92 5.065 3.954 -2.690 1.00 53.23 H new ATOM 0 HD12 LEU A 92 3.896 3.413 -3.919 1.00 53.23 H new ATOM 0 HD13 LEU A 92 3.572 3.122 -2.193 1.00 53.23 H new ATOM 0 HD21 LEU A 92 6.501 2.522 -1.600 1.00 60.30 H new ATOM 0 HD22 LEU A 92 5.151 1.590 -0.911 1.00 60.30 H new ATOM 0 HD23 LEU A 92 6.449 0.754 -1.796 1.00 60.30 H new ATOM 1308 N ARG A 93 3.344 -2.095 -5.031 1.00 34.21 N ATOM 1309 CA ARG A 93 2.570 -3.282 -5.400 1.00 20.22 C ATOM 1310 C ARG A 93 3.356 -4.565 -5.121 1.00 61.40 C ATOM 1311 O ARG A 93 2.752 -5.508 -4.611 1.00 34.44 O ATOM 1312 CB ARG A 93 2.154 -3.216 -6.885 1.00 62.43 C ATOM 1313 CG ARG A 93 0.828 -2.506 -7.243 1.00 12.42 C ATOM 1314 CD ARG A 93 0.287 -1.397 -6.314 1.00 44.22 C ATOM 1315 NE ARG A 93 -0.976 -0.823 -6.857 1.00 22.43 N ATOM 1316 CZ ARG A 93 -2.214 -1.338 -6.723 1.00 22.24 C ATOM 1317 NH1 ARG A 93 -2.387 -2.451 -6.028 1.00 2.12 N ATOM 1318 NH2 ARG A 93 -3.277 -0.780 -7.286 1.00 0.25 N ATOM 0 H ARG A 93 3.492 -1.456 -5.812 1.00 34.21 H new ATOM 0 HA ARG A 93 1.670 -3.299 -4.785 1.00 20.22 H new ATOM 0 HB2 ARG A 93 2.955 -2.720 -7.433 1.00 62.43 H new ATOM 0 HB3 ARG A 93 2.096 -4.238 -7.260 1.00 62.43 H new ATOM 0 HG2 ARG A 93 0.947 -2.072 -8.236 1.00 12.42 H new ATOM 0 HG3 ARG A 93 0.057 -3.273 -7.321 1.00 12.42 H new ATOM 0 HD2 ARG A 93 0.108 -1.805 -5.319 1.00 44.22 H new ATOM 0 HD3 ARG A 93 1.033 -0.610 -6.207 1.00 44.22 H new ATOM 0 HE ARG A 93 -0.896 0.047 -7.383 1.00 22.43 H new ATOM 0 HH11 ARG A 93 -1.586 -2.913 -5.598 1.00 2.12 H new ATOM 0 HH12 ARG A 93 -3.321 -2.846 -5.923 1.00 2.12 H new ATOM 0 HH21 ARG A 93 -3.173 0.068 -7.843 1.00 0.25 H new ATOM 0 HH22 ARG A 93 -4.199 -1.199 -7.162 1.00 0.25 H new ATOM 1329 N ALA A 94 4.649 -4.637 -5.442 1.00 72.41 N ATOM 1330 CA ALA A 94 5.459 -5.846 -5.250 1.00 51.10 C ATOM 1331 C ALA A 94 6.039 -5.982 -3.850 1.00 11.14 C ATOM 1332 O ALA A 94 6.559 -7.031 -3.488 1.00 60.44 O ATOM 1333 CB ALA A 94 6.626 -5.820 -6.243 1.00 20.35 C ATOM 0 H ALA A 94 5.168 -3.856 -5.844 1.00 72.41 H new ATOM 0 HA ALA A 94 4.792 -6.694 -5.410 1.00 51.10 H new ATOM 0 HB1 ALA A 94 7.236 -6.713 -6.111 1.00 20.35 H new ATOM 0 HB2 ALA A 94 6.237 -5.794 -7.261 1.00 20.35 H new ATOM 0 HB3 ALA A 94 7.236 -4.934 -6.065 1.00 20.35 H new ATOM 1339 N THR A 95 5.958 -4.937 -3.056 1.00 54.33 N ATOM 1340 CA THR A 95 6.932 -4.660 -2.014 1.00 32.42 C ATOM 1341 C THR A 95 6.182 -4.699 -0.688 1.00 52.22 C ATOM 1342 O THR A 95 6.624 -5.341 0.260 1.00 20.32 O ATOM 1343 CB THR A 95 7.540 -3.296 -2.369 1.00 15.15 C ATOM 1344 OG1 THR A 95 8.041 -3.319 -3.693 1.00 44.00 O ATOM 1345 CG2 THR A 95 8.593 -2.765 -1.384 1.00 1.15 C ATOM 0 H THR A 95 5.209 -4.247 -3.113 1.00 54.33 H new ATOM 0 HA THR A 95 7.749 -5.377 -1.931 1.00 32.42 H new ATOM 0 HB THR A 95 6.720 -2.583 -2.289 1.00 15.15 H new ATOM 0 HG1 THR A 95 8.959 -2.975 -3.702 1.00 44.00 H new ATOM 0 HG21 THR A 95 8.958 -1.797 -1.728 1.00 1.15 H new ATOM 0 HG22 THR A 95 8.144 -2.654 -0.397 1.00 1.15 H new ATOM 0 HG23 THR A 95 9.425 -3.467 -1.328 1.00 1.15 H new ATOM 1353 N ALA A 96 4.949 -4.175 -0.683 1.00 35.55 N ATOM 1354 CA ALA A 96 3.988 -4.252 0.400 1.00 42.13 C ATOM 1355 C ALA A 96 3.591 -5.689 0.747 1.00 35.45 C ATOM 1356 O ALA A 96 2.820 -5.864 1.688 1.00 35.15 O ATOM 1357 CB ALA A 96 2.754 -3.442 0.021 1.00 72.54 C ATOM 0 H ALA A 96 4.585 -3.659 -1.484 1.00 35.55 H new ATOM 0 HA ALA A 96 4.460 -3.841 1.293 1.00 42.13 H new ATOM 0 HB1 ALA A 96 2.024 -3.492 0.828 1.00 72.54 H new ATOM 0 HB2 ALA A 96 3.038 -2.403 -0.147 1.00 72.54 H new ATOM 0 HB3 ALA A 96 2.316 -3.850 -0.890 1.00 72.54 H new ATOM 1363 N ARG A 97 4.047 -6.707 -0.004 1.00 20.21 N ATOM 1364 CA ARG A 97 3.992 -8.082 0.483 1.00 22.23 C ATOM 1365 C ARG A 97 5.103 -8.342 1.500 1.00 40.32 C ATOM 1366 O ARG A 97 4.803 -8.643 2.653 1.00 71.44 O ATOM 1367 CB ARG A 97 4.013 -9.082 -0.689 1.00 40.14 C ATOM 1368 CG ARG A 97 2.667 -9.832 -0.693 1.00 55.10 C ATOM 1369 CD ARG A 97 2.633 -11.109 -1.536 1.00 11.45 C ATOM 1370 NE ARG A 97 2.585 -10.812 -2.967 1.00 1.01 N ATOM 1371 CZ ARG A 97 2.192 -11.646 -3.932 1.00 4.12 C ATOM 1372 NH1 ARG A 97 1.737 -12.866 -3.663 1.00 43.44 N ATOM 1373 NH2 ARG A 97 2.258 -11.229 -5.184 1.00 74.20 N ATOM 0 H ARG A 97 4.450 -6.599 -0.935 1.00 20.21 H new ATOM 0 HA ARG A 97 3.046 -8.231 1.004 1.00 22.23 H new ATOM 0 HB2 ARG A 97 4.162 -8.560 -1.634 1.00 40.14 H new ATOM 0 HB3 ARG A 97 4.840 -9.783 -0.578 1.00 40.14 H new ATOM 0 HG2 ARG A 97 2.409 -10.088 0.335 1.00 55.10 H new ATOM 0 HG3 ARG A 97 1.894 -9.155 -1.057 1.00 55.10 H new ATOM 0 HD2 ARG A 97 3.515 -11.712 -1.319 1.00 11.45 H new ATOM 0 HD3 ARG A 97 1.763 -11.705 -1.259 1.00 11.45 H new ATOM 0 HE ARG A 97 2.880 -9.879 -3.255 1.00 1.01 H new ATOM 0 HH11 ARG A 97 1.681 -13.188 -2.697 1.00 43.44 H new ATOM 0 HH12 ARG A 97 1.444 -13.480 -4.423 1.00 43.44 H new ATOM 0 HH21 ARG A 97 2.602 -10.292 -5.392 1.00 74.20 H new ATOM 0 HH22 ARG A 97 1.965 -11.844 -5.943 1.00 74.20 H new ATOM 1384 N GLU A 98 6.363 -8.228 1.094 1.00 75.33 N ATOM 1385 CA GLU A 98 7.537 -8.443 1.934 1.00 35.53 C ATOM 1386 C GLU A 98 7.470 -7.561 3.181 1.00 40.40 C ATOM 1387 O GLU A 98 7.538 -8.067 4.306 1.00 40.11 O ATOM 1388 CB GLU A 98 8.780 -8.169 1.067 1.00 5.22 C ATOM 1389 CG GLU A 98 9.593 -9.442 0.824 1.00 63.43 C ATOM 1390 CD GLU A 98 10.405 -9.416 -0.476 1.00 30.35 C ATOM 1391 OE1 GLU A 98 10.845 -8.338 -0.947 1.00 43.24 O ATOM 1392 OE2 GLU A 98 10.524 -10.508 -1.080 1.00 21.43 O ATOM 0 H GLU A 98 6.604 -7.974 0.136 1.00 75.33 H new ATOM 0 HA GLU A 98 7.584 -9.468 2.301 1.00 35.53 H new ATOM 0 HB2 GLU A 98 8.471 -7.747 0.111 1.00 5.22 H new ATOM 0 HB3 GLU A 98 9.408 -7.424 1.556 1.00 5.22 H new ATOM 0 HG2 GLU A 98 10.272 -9.595 1.663 1.00 63.43 H new ATOM 0 HG3 GLU A 98 8.916 -10.296 0.802 1.00 63.43 H new ATOM 1397 N GLN A 99 7.187 -6.267 2.972 1.00 14.42 N ATOM 1398 CA GLN A 99 7.040 -5.240 3.978 1.00 14.31 C ATOM 1399 C GLN A 99 6.201 -5.649 5.183 1.00 34.33 C ATOM 1400 O GLN A 99 6.446 -5.125 6.259 1.00 15.23 O ATOM 1401 CB GLN A 99 6.403 -4.000 3.338 1.00 21.31 C ATOM 1402 CG GLN A 99 7.336 -2.798 3.355 1.00 44.02 C ATOM 1403 CD GLN A 99 6.564 -1.505 3.124 1.00 23.52 C ATOM 1404 OE1 GLN A 99 5.513 -1.277 3.716 1.00 33.45 O ATOM 1405 NE2 GLN A 99 7.024 -0.660 2.212 1.00 32.31 N ATOM 0 H GLN A 99 7.048 -5.901 2.030 1.00 14.42 H new ATOM 0 HA GLN A 99 8.044 -5.042 4.353 1.00 14.31 H new ATOM 0 HB2 GLN A 99 6.125 -4.227 2.309 1.00 21.31 H new ATOM 0 HB3 GLN A 99 5.484 -3.751 3.869 1.00 21.31 H new ATOM 0 HG2 GLN A 99 7.855 -2.750 4.312 1.00 44.02 H new ATOM 0 HG3 GLN A 99 8.098 -2.914 2.584 1.00 44.02 H new ATOM 0 HE21 GLN A 99 7.898 -0.860 1.727 1.00 32.31 H new ATOM 0 HE22 GLN A 99 6.503 0.190 1.996 1.00 32.31 H new ATOM 1412 N ILE A 100 5.211 -6.536 5.032 1.00 60.12 N ATOM 1413 CA ILE A 100 4.329 -6.908 6.130 1.00 51.42 C ATOM 1414 C ILE A 100 5.155 -7.383 7.317 1.00 4.13 C ATOM 1415 O ILE A 100 4.973 -6.851 8.406 1.00 73.13 O ATOM 1416 CB ILE A 100 3.287 -7.954 5.671 1.00 54.00 C ATOM 1417 CG1 ILE A 100 2.322 -7.386 4.607 1.00 41.41 C ATOM 1418 CG2 ILE A 100 2.475 -8.551 6.836 1.00 60.43 C ATOM 1419 CD1 ILE A 100 1.510 -6.156 5.034 1.00 72.20 C ATOM 0 H ILE A 100 5.005 -7.009 4.152 1.00 60.12 H new ATOM 0 HA ILE A 100 3.764 -6.034 6.453 1.00 51.42 H new ATOM 0 HB ILE A 100 3.872 -8.758 5.225 1.00 54.00 H new ATOM 0 HG12 ILE A 100 2.900 -7.127 3.720 1.00 41.41 H new ATOM 0 HG13 ILE A 100 1.627 -8.174 4.316 1.00 41.41 H new ATOM 0 HG21 ILE A 100 1.762 -9.278 6.447 1.00 60.43 H new ATOM 0 HG22 ILE A 100 3.150 -9.044 7.535 1.00 60.43 H new ATOM 0 HG23 ILE A 100 1.938 -7.755 7.351 1.00 60.43 H new ATOM 0 HD11 ILE A 100 0.867 -5.841 4.212 1.00 72.20 H new ATOM 0 HD12 ILE A 100 0.897 -6.407 5.899 1.00 72.20 H new ATOM 0 HD13 ILE A 100 2.189 -5.344 5.294 1.00 72.20 H new ATOM 1430 N ILE A 101 6.025 -8.374 7.129 1.00 22.14 N ATOM 1431 CA ILE A 101 6.743 -9.012 8.227 1.00 72.20 C ATOM 1432 C ILE A 101 8.005 -8.234 8.578 1.00 61.53 C ATOM 1433 O ILE A 101 8.434 -8.242 9.727 1.00 41.20 O ATOM 1434 CB ILE A 101 7.057 -10.460 7.825 1.00 34.43 C ATOM 1435 CG1 ILE A 101 5.760 -11.213 7.453 1.00 21.52 C ATOM 1436 CG2 ILE A 101 7.833 -11.183 8.940 1.00 11.45 C ATOM 1437 CD1 ILE A 101 4.886 -11.594 8.647 1.00 52.33 C ATOM 0 H ILE A 101 6.251 -8.756 6.211 1.00 22.14 H new ATOM 0 HA ILE A 101 6.124 -9.018 9.124 1.00 72.20 H new ATOM 0 HB ILE A 101 7.696 -10.443 6.942 1.00 34.43 H new ATOM 0 HG12 ILE A 101 5.176 -10.592 6.774 1.00 21.52 H new ATOM 0 HG13 ILE A 101 6.024 -12.119 6.908 1.00 21.52 H new ATOM 0 HG21 ILE A 101 8.044 -12.207 8.632 1.00 11.45 H new ATOM 0 HG22 ILE A 101 8.771 -10.660 9.128 1.00 11.45 H new ATOM 0 HG23 ILE A 101 7.235 -11.194 9.851 1.00 11.45 H new ATOM 0 HD11 ILE A 101 3.998 -12.118 8.295 1.00 52.33 H new ATOM 0 HD12 ILE A 101 5.449 -12.244 9.317 1.00 52.33 H new ATOM 0 HD13 ILE A 101 4.587 -10.692 9.182 1.00 52.33 H new ATOM 1448 N SER A 102 8.571 -7.527 7.608 1.00 0.23 N ATOM 1449 CA SER A 102 9.603 -6.535 7.864 1.00 52.13 C ATOM 1450 C SER A 102 9.088 -5.506 8.889 1.00 71.33 C ATOM 1451 O SER A 102 9.841 -5.048 9.751 1.00 63.40 O ATOM 1452 CB SER A 102 9.940 -5.928 6.502 1.00 1.35 C ATOM 1453 OG SER A 102 10.780 -4.794 6.571 1.00 50.11 O ATOM 0 H SER A 102 8.326 -7.626 6.623 1.00 0.23 H new ATOM 0 HA SER A 102 10.507 -6.955 8.305 1.00 52.13 H new ATOM 0 HB2 SER A 102 10.422 -6.688 5.886 1.00 1.35 H new ATOM 0 HB3 SER A 102 9.013 -5.651 6.000 1.00 1.35 H new ATOM 0 HG SER A 102 10.954 -4.461 5.666 1.00 50.11 H new ATOM 1458 N GLU A 103 7.814 -5.122 8.791 1.00 22.42 N ATOM 1459 CA GLU A 103 7.189 -4.114 9.624 1.00 55.20 C ATOM 1460 C GLU A 103 6.773 -4.654 11.003 1.00 4.03 C ATOM 1461 O GLU A 103 6.821 -3.882 11.962 1.00 63.10 O ATOM 1462 CB GLU A 103 6.001 -3.553 8.831 1.00 0.41 C ATOM 1463 CG GLU A 103 5.074 -2.615 9.599 1.00 74.50 C ATOM 1464 CD GLU A 103 5.654 -1.257 9.984 1.00 32.21 C ATOM 1465 OE1 GLU A 103 6.797 -0.906 9.612 1.00 24.44 O ATOM 1466 OE2 GLU A 103 4.855 -0.490 10.573 1.00 23.51 O ATOM 0 H GLU A 103 7.175 -5.522 8.104 1.00 22.42 H new ATOM 0 HA GLU A 103 7.903 -3.322 9.851 1.00 55.20 H new ATOM 0 HB2 GLU A 103 6.387 -3.020 7.962 1.00 0.41 H new ATOM 0 HB3 GLU A 103 5.411 -4.389 8.456 1.00 0.41 H new ATOM 0 HG2 GLU A 103 4.181 -2.447 8.996 1.00 74.50 H new ATOM 0 HG3 GLU A 103 4.754 -3.121 10.510 1.00 74.50 H new ATOM 1471 N ILE A 104 6.348 -5.920 11.126 1.00 54.01 N ATOM 1472 CA ILE A 104 6.074 -6.522 12.438 1.00 51.40 C ATOM 1473 C ILE A 104 7.407 -6.574 13.175 1.00 42.33 C ATOM 1474 O ILE A 104 7.415 -6.365 14.405 1.00 72.20 O ATOM 1475 CB ILE A 104 5.432 -7.937 12.346 1.00 22.33 C ATOM 1476 CG1 ILE A 104 4.206 -7.984 11.413 1.00 3.14 C ATOM 1477 CG2 ILE A 104 5.011 -8.449 13.737 1.00 20.54 C ATOM 1478 CD1 ILE A 104 3.418 -9.302 11.423 1.00 2.25 C ATOM 0 H ILE A 104 6.187 -6.544 10.336 1.00 54.01 H new ATOM 0 HA ILE A 104 5.339 -5.917 12.969 1.00 51.40 H new ATOM 0 HB ILE A 104 6.205 -8.581 11.926 1.00 22.33 H new ATOM 0 HG12 ILE A 104 3.530 -7.175 11.689 1.00 3.14 H new ATOM 0 HG13 ILE A 104 4.539 -7.788 10.394 1.00 3.14 H new ATOM 0 HG21 ILE A 104 4.566 -9.439 13.641 1.00 20.54 H new ATOM 0 HG22 ILE A 104 5.886 -8.506 14.384 1.00 20.54 H new ATOM 0 HG23 ILE A 104 4.283 -7.764 14.172 1.00 20.54 H new ATOM 0 HD11 ILE A 104 2.577 -9.229 10.733 1.00 2.25 H new ATOM 0 HD12 ILE A 104 4.071 -10.118 11.114 1.00 2.25 H new ATOM 0 HD13 ILE A 104 3.046 -9.496 12.429 1.00 2.25 H new