USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=7 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= -0.119 K(o=-0.12,f=-0.93) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.155 K(o=-0.16,f=-2.7!) 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 168:sc= 1.12 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 142:sc= -1.98! (180deg=-3.67!) USER MOD Single : A 95 THR OG1 : rot 150:sc= 1.28 USER MOD Single : A 99 GLN : amide:sc= -1.44 K(o=-1.4,f=-6.3!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 189 N LYS A 14 2.463 -17.632 8.456 1.00 62.43 N ATOM 190 CA LYS A 14 1.352 -16.953 7.792 1.00 63.04 C ATOM 191 C LYS A 14 1.805 -16.091 6.615 1.00 71.01 C ATOM 192 O LYS A 14 1.123 -16.084 5.598 1.00 1.12 O ATOM 193 CB LYS A 14 0.697 -16.045 8.852 1.00 53.11 C ATOM 194 CG LYS A 14 -0.777 -15.710 8.672 1.00 50.42 C ATOM 195 CD LYS A 14 -1.237 -14.810 9.839 1.00 43.12 C ATOM 196 CE LYS A 14 -2.588 -14.138 9.559 1.00 62.20 C ATOM 197 NZ LYS A 14 -2.885 -13.017 10.481 1.00 23.31 N ATOM 0 HA LYS A 14 0.667 -17.699 7.390 1.00 63.04 H new ATOM 0 HB2 LYS A 14 0.818 -16.521 9.825 1.00 53.11 H new ATOM 0 HB3 LYS A 14 1.254 -15.109 8.884 1.00 53.11 H new ATOM 0 HG2 LYS A 14 -0.934 -15.201 7.721 1.00 50.42 H new ATOM 0 HG3 LYS A 14 -1.370 -16.624 8.646 1.00 50.42 H new ATOM 0 HD2 LYS A 14 -1.312 -15.407 10.748 1.00 43.12 H new ATOM 0 HD3 LYS A 14 -0.484 -14.044 10.023 1.00 43.12 H new ATOM 0 HE2 LYS A 14 -2.597 -13.769 8.534 1.00 62.20 H new ATOM 0 HE3 LYS A 14 -3.380 -14.883 9.636 1.00 62.20 H new ATOM 0 HZ1 LYS A 14 -3.809 -12.605 10.241 1.00 23.31 H new ATOM 0 HZ2 LYS A 14 -2.906 -13.369 11.460 1.00 23.31 H new ATOM 0 HZ3 LYS A 14 -2.148 -12.289 10.391 1.00 23.31 H new ATOM 207 N PHE A 15 2.975 -15.454 6.671 1.00 25.12 N ATOM 208 CA PHE A 15 3.412 -14.509 5.647 1.00 72.20 C ATOM 209 C PHE A 15 4.404 -15.077 4.626 1.00 21.33 C ATOM 210 O PHE A 15 4.358 -14.664 3.466 1.00 31.25 O ATOM 211 CB PHE A 15 4.034 -13.299 6.340 1.00 31.01 C ATOM 212 CG PHE A 15 3.036 -12.396 7.030 1.00 50.24 C ATOM 213 CD1 PHE A 15 2.035 -11.753 6.279 1.00 51.43 C ATOM 214 CD2 PHE A 15 3.163 -12.120 8.405 1.00 32.35 C ATOM 215 CE1 PHE A 15 1.286 -10.734 6.862 1.00 43.12 C ATOM 216 CE2 PHE A 15 2.356 -11.143 9.006 1.00 74.33 C ATOM 217 CZ PHE A 15 1.465 -10.410 8.212 1.00 2.21 C ATOM 0 H PHE A 15 3.646 -15.580 7.429 1.00 25.12 H new ATOM 0 HA PHE A 15 2.524 -14.244 5.072 1.00 72.20 H new ATOM 0 HB2 PHE A 15 4.759 -13.649 7.075 1.00 31.01 H new ATOM 0 HB3 PHE A 15 4.585 -12.716 5.602 1.00 31.01 H new ATOM 0 HD1 PHE A 15 1.849 -12.048 5.257 1.00 51.43 H new ATOM 0 HD2 PHE A 15 3.884 -12.662 8.999 1.00 32.35 H new ATOM 0 HE1 PHE A 15 0.564 -10.191 6.270 1.00 43.12 H new ATOM 0 HE2 PHE A 15 2.421 -10.958 10.068 1.00 74.33 H new ATOM 0 HZ PHE A 15 0.912 -9.589 8.644 1.00 2.21 H new ATOM 226 N ALA A 16 5.317 -15.975 5.003 1.00 61.42 N ATOM 227 CA ALA A 16 6.383 -16.416 4.101 1.00 71.24 C ATOM 228 C ALA A 16 5.877 -17.236 2.895 1.00 51.14 C ATOM 229 O ALA A 16 6.440 -17.144 1.801 1.00 54.11 O ATOM 230 CB ALA A 16 7.420 -17.192 4.912 1.00 72.12 C ATOM 0 H ALA A 16 5.339 -16.410 5.925 1.00 61.42 H new ATOM 0 HA ALA A 16 6.837 -15.528 3.661 1.00 71.24 H new ATOM 0 HB1 ALA A 16 8.221 -17.527 4.253 1.00 72.12 H new ATOM 0 HB2 ALA A 16 7.834 -16.546 5.686 1.00 72.12 H new ATOM 0 HB3 ALA A 16 6.946 -18.057 5.376 1.00 72.12 H new ATOM 236 N HIS A 17 4.840 -18.055 3.090 1.00 3.31 N ATOM 237 CA HIS A 17 3.959 -18.630 2.073 1.00 65.41 C ATOM 238 C HIS A 17 3.210 -17.455 1.432 1.00 63.00 C ATOM 239 O HIS A 17 2.153 -17.093 1.939 1.00 44.42 O ATOM 240 CB HIS A 17 2.942 -19.629 2.704 1.00 71.23 C ATOM 241 CG HIS A 17 3.521 -20.887 3.316 1.00 11.31 C ATOM 242 ND1 HIS A 17 3.340 -22.157 2.818 1.00 4.53 N ATOM 243 CD2 HIS A 17 4.155 -21.018 4.527 1.00 30.32 C ATOM 244 CE1 HIS A 17 3.840 -23.033 3.700 1.00 23.34 C ATOM 245 NE2 HIS A 17 4.380 -22.382 4.743 1.00 32.13 N ATOM 0 H HIS A 17 4.577 -18.354 4.029 1.00 3.31 H new ATOM 0 HA HIS A 17 4.539 -19.188 1.338 1.00 65.41 H new ATOM 0 HB2 HIS A 17 2.380 -19.102 3.475 1.00 71.23 H new ATOM 0 HB3 HIS A 17 2.229 -19.922 1.934 1.00 71.23 H new ATOM 0 HD2 HIS A 17 4.430 -20.213 5.193 1.00 30.32 H new ATOM 0 HE1 HIS A 17 3.813 -24.107 3.588 1.00 23.34 H new ATOM 0 HE2 HIS A 17 4.861 -22.801 5.539 1.00 32.13 H new ATOM 252 N ASP A 18 3.779 -16.804 0.407 1.00 14.32 N ATOM 253 CA ASP A 18 3.557 -15.390 0.020 1.00 71.04 C ATOM 254 C ASP A 18 2.137 -14.901 -0.285 1.00 63.01 C ATOM 255 O ASP A 18 1.888 -13.699 -0.441 1.00 34.35 O ATOM 256 CB ASP A 18 4.413 -15.019 -1.204 1.00 42.44 C ATOM 257 CG ASP A 18 4.279 -15.882 -2.458 1.00 43.40 C ATOM 258 OD1 ASP A 18 3.245 -16.552 -2.675 1.00 30.41 O ATOM 259 OD2 ASP A 18 5.231 -15.859 -3.278 1.00 43.53 O ATOM 0 H ASP A 18 4.443 -17.269 -0.212 1.00 14.32 H new ATOM 0 HA ASP A 18 3.836 -14.892 0.948 1.00 71.04 H new ATOM 0 HB2 ASP A 18 4.176 -13.991 -1.479 1.00 42.44 H new ATOM 0 HB3 ASP A 18 5.459 -15.034 -0.898 1.00 42.44 H new ATOM 263 N ALA A 19 1.183 -15.804 -0.307 1.00 54.22 N ATOM 264 CA ALA A 19 -0.130 -15.592 -0.887 1.00 62.11 C ATOM 265 C ALA A 19 -1.159 -15.098 0.141 1.00 74.04 C ATOM 266 O ALA A 19 -2.368 -15.187 -0.089 1.00 23.02 O ATOM 267 CB ALA A 19 -0.492 -16.891 -1.593 1.00 52.23 C ATOM 0 H ALA A 19 1.300 -16.736 0.090 1.00 54.22 H new ATOM 0 HA ALA A 19 -0.127 -14.779 -1.613 1.00 62.11 H new ATOM 0 HB1 ALA A 19 -1.476 -16.794 -2.052 1.00 52.23 H new ATOM 0 HB2 ALA A 19 0.249 -17.105 -2.364 1.00 52.23 H new ATOM 0 HB3 ALA A 19 -0.508 -17.706 -0.869 1.00 52.23 H new ATOM 273 N GLU A 20 -0.689 -14.596 1.286 1.00 65.24 N ATOM 274 CA GLU A 20 -1.477 -13.926 2.321 1.00 31.03 C ATOM 275 C GLU A 20 -0.858 -12.566 2.684 1.00 54.20 C ATOM 276 O GLU A 20 -1.550 -11.687 3.199 1.00 41.24 O ATOM 277 CB GLU A 20 -1.552 -14.817 3.571 1.00 64.21 C ATOM 278 CG GLU A 20 -2.133 -16.213 3.313 1.00 1.31 C ATOM 279 CD GLU A 20 -2.400 -16.953 4.622 1.00 22.35 C ATOM 280 OE1 GLU A 20 -3.373 -16.578 5.322 1.00 34.34 O ATOM 281 OE2 GLU A 20 -1.670 -17.917 4.945 1.00 42.10 O ATOM 0 H GLU A 20 0.301 -14.649 1.527 1.00 65.24 H new ATOM 0 HA GLU A 20 -2.482 -13.753 1.936 1.00 31.03 H new ATOM 0 HB2 GLU A 20 -0.551 -14.924 3.988 1.00 64.21 H new ATOM 0 HB3 GLU A 20 -2.160 -14.316 4.325 1.00 64.21 H new ATOM 0 HG2 GLU A 20 -3.060 -16.124 2.747 1.00 1.31 H new ATOM 0 HG3 GLU A 20 -1.440 -16.790 2.701 1.00 1.31 H new ATOM 286 N LEU A 21 0.438 -12.387 2.422 1.00 45.22 N ATOM 287 CA LEU A 21 1.229 -11.202 2.672 1.00 25.24 C ATOM 288 C LEU A 21 0.928 -10.164 1.628 1.00 30.31 C ATOM 289 O LEU A 21 0.689 -9.012 1.975 1.00 1.44 O ATOM 290 CB LEU A 21 2.728 -11.565 2.653 1.00 43.11 C ATOM 291 CG LEU A 21 3.681 -10.374 2.842 1.00 25.32 C ATOM 292 CD1 LEU A 21 3.401 -9.578 4.116 1.00 14.55 C ATOM 293 CD2 LEU A 21 5.121 -10.891 2.878 1.00 11.32 C ATOM 0 H LEU A 21 0.995 -13.129 1.998 1.00 45.22 H new ATOM 0 HA LEU A 21 0.979 -10.797 3.652 1.00 25.24 H new ATOM 0 HB2 LEU A 21 2.921 -12.295 3.439 1.00 43.11 H new ATOM 0 HB3 LEU A 21 2.958 -12.050 1.704 1.00 43.11 H new ATOM 0 HG LEU A 21 3.524 -9.697 2.002 1.00 25.32 H new ATOM 0 HD11 LEU A 21 4.107 -8.751 4.191 1.00 14.55 H new ATOM 0 HD12 LEU A 21 2.385 -9.185 4.084 1.00 14.55 H new ATOM 0 HD13 LEU A 21 3.511 -10.229 4.983 1.00 14.55 H new ATOM 0 HD21 LEU A 21 5.805 -10.053 3.012 1.00 11.32 H new ATOM 0 HD22 LEU A 21 5.236 -11.589 3.707 1.00 11.32 H new ATOM 0 HD23 LEU A 21 5.349 -11.399 1.941 1.00 11.32 H new ATOM 304 N ASN A 22 0.906 -10.591 0.366 1.00 33.45 N ATOM 305 CA ASN A 22 0.551 -9.738 -0.759 1.00 23.02 C ATOM 306 C ASN A 22 -0.767 -9.022 -0.468 1.00 13.34 C ATOM 307 O ASN A 22 -0.856 -7.820 -0.675 1.00 33.21 O ATOM 308 CB ASN A 22 0.485 -10.531 -2.078 1.00 42.24 C ATOM 309 CG ASN A 22 1.816 -10.565 -2.823 1.00 54.31 C ATOM 310 OD1 ASN A 22 2.528 -9.569 -2.894 1.00 12.32 O ATOM 311 ND2 ASN A 22 2.169 -11.671 -3.451 1.00 13.31 N ATOM 0 H ASN A 22 1.137 -11.548 0.097 1.00 33.45 H new ATOM 0 HA ASN A 22 1.334 -8.990 -0.886 1.00 23.02 H new ATOM 0 HB2 ASN A 22 0.168 -11.552 -1.866 1.00 42.24 H new ATOM 0 HB3 ASN A 22 -0.274 -10.089 -2.723 1.00 42.24 H new ATOM 0 HD21 ASN A 22 3.032 -11.696 -3.994 1.00 13.31 H new ATOM 0 HD22 ASN A 22 1.579 -12.501 -3.393 1.00 13.31 H new ATOM 317 N PHE A 23 -1.753 -9.707 0.108 1.00 30.13 N ATOM 318 CA PHE A 23 -3.092 -9.185 0.381 1.00 4.34 C ATOM 319 C PHE A 23 -3.070 -8.013 1.369 1.00 5.54 C ATOM 320 O PHE A 23 -3.863 -7.077 1.288 1.00 63.01 O ATOM 321 CB PHE A 23 -3.900 -10.352 0.943 1.00 62.23 C ATOM 322 CG PHE A 23 -5.387 -10.133 1.121 1.00 10.25 C ATOM 323 CD1 PHE A 23 -5.881 -9.490 2.271 1.00 71.01 C ATOM 324 CD2 PHE A 23 -6.288 -10.643 0.170 1.00 11.51 C ATOM 325 CE1 PHE A 23 -7.265 -9.309 2.437 1.00 25.11 C ATOM 326 CE2 PHE A 23 -7.672 -10.500 0.363 1.00 45.52 C ATOM 327 CZ PHE A 23 -8.166 -9.808 1.480 1.00 1.12 C ATOM 0 H PHE A 23 -1.638 -10.675 0.408 1.00 30.13 H new ATOM 0 HA PHE A 23 -3.535 -8.790 -0.533 1.00 4.34 H new ATOM 0 HB2 PHE A 23 -3.760 -11.210 0.285 1.00 62.23 H new ATOM 0 HB3 PHE A 23 -3.478 -10.621 1.911 1.00 62.23 H new ATOM 0 HD1 PHE A 23 -5.196 -9.135 3.027 1.00 71.01 H new ATOM 0 HD2 PHE A 23 -5.915 -11.146 -0.710 1.00 11.51 H new ATOM 0 HE1 PHE A 23 -7.638 -8.784 3.304 1.00 25.11 H new ATOM 0 HE2 PHE A 23 -8.360 -10.925 -0.352 1.00 45.52 H new ATOM 0 HZ PHE A 23 -9.229 -9.660 1.603 1.00 1.12 H new ATOM 336 N LYS A 24 -2.179 -8.046 2.360 1.00 24.12 N ATOM 337 CA LYS A 24 -1.997 -6.965 3.314 1.00 12.53 C ATOM 338 C LYS A 24 -1.152 -5.857 2.695 1.00 42.20 C ATOM 339 O LYS A 24 -1.481 -4.670 2.802 1.00 65.32 O ATOM 340 CB LYS A 24 -1.279 -7.546 4.535 1.00 44.40 C ATOM 341 CG LYS A 24 -1.942 -8.775 5.168 1.00 71.41 C ATOM 342 CD LYS A 24 -2.901 -8.450 6.306 1.00 50.21 C ATOM 343 CE LYS A 24 -2.098 -7.946 7.500 1.00 10.43 C ATOM 344 NZ LYS A 24 -2.850 -8.097 8.762 1.00 65.30 N ATOM 0 H LYS A 24 -1.557 -8.838 2.520 1.00 24.12 H new ATOM 0 HA LYS A 24 -2.960 -6.540 3.598 1.00 12.53 H new ATOM 0 HB2 LYS A 24 -0.263 -7.812 4.244 1.00 44.40 H new ATOM 0 HB3 LYS A 24 -1.200 -6.767 5.293 1.00 44.40 H new ATOM 0 HG2 LYS A 24 -2.484 -9.320 4.395 1.00 71.41 H new ATOM 0 HG3 LYS A 24 -1.165 -9.441 5.542 1.00 71.41 H new ATOM 0 HD2 LYS A 24 -3.620 -7.694 5.989 1.00 50.21 H new ATOM 0 HD3 LYS A 24 -3.472 -9.336 6.583 1.00 50.21 H new ATOM 0 HE2 LYS A 24 -1.159 -8.496 7.567 1.00 10.43 H new ATOM 0 HE3 LYS A 24 -1.843 -6.897 7.351 1.00 10.43 H new ATOM 0 HZ1 LYS A 24 -2.275 -7.744 9.553 1.00 65.30 H new ATOM 0 HZ2 LYS A 24 -3.734 -7.552 8.707 1.00 65.30 H new ATOM 0 HZ3 LYS A 24 -3.072 -9.101 8.916 1.00 65.30 H new ATOM 354 N ALA A 25 -0.036 -6.251 2.079 1.00 42.44 N ATOM 355 CA ALA A 25 0.969 -5.375 1.513 1.00 45.44 C ATOM 356 C ALA A 25 0.359 -4.481 0.443 1.00 1.12 C ATOM 357 O ALA A 25 0.662 -3.292 0.408 1.00 54.20 O ATOM 358 CB ALA A 25 2.090 -6.220 0.913 1.00 34.25 C ATOM 0 H ALA A 25 0.194 -7.238 1.960 1.00 42.44 H new ATOM 0 HA ALA A 25 1.371 -4.738 2.300 1.00 45.44 H new ATOM 0 HB1 ALA A 25 2.850 -5.566 0.485 1.00 34.25 H new ATOM 0 HB2 ALA A 25 2.539 -6.836 1.693 1.00 34.25 H new ATOM 0 HB3 ALA A 25 1.683 -6.863 0.132 1.00 34.25 H new ATOM 364 N GLU A 26 -0.512 -5.037 -0.402 1.00 33.45 N ATOM 365 CA GLU A 26 -1.109 -4.360 -1.545 1.00 65.04 C ATOM 366 C GLU A 26 -1.881 -3.115 -1.108 1.00 2.11 C ATOM 367 O GLU A 26 -1.816 -2.048 -1.712 1.00 52.13 O ATOM 368 CB GLU A 26 -1.966 -5.350 -2.364 1.00 3.30 C ATOM 369 CG GLU A 26 -3.374 -5.698 -1.856 1.00 12.12 C ATOM 370 CD GLU A 26 -4.479 -4.801 -2.435 1.00 44.33 C ATOM 371 OE1 GLU A 26 -4.158 -3.752 -3.051 1.00 3.51 O ATOM 372 OE2 GLU A 26 -5.664 -5.157 -2.241 1.00 42.20 O ATOM 0 H GLU A 26 -0.828 -6.002 -0.302 1.00 33.45 H new ATOM 0 HA GLU A 26 -0.317 -4.005 -2.204 1.00 65.04 H new ATOM 0 HB2 GLU A 26 -2.068 -4.945 -3.371 1.00 3.30 H new ATOM 0 HB3 GLU A 26 -1.405 -6.281 -2.450 1.00 3.30 H new ATOM 0 HG2 GLU A 26 -3.594 -6.736 -2.104 1.00 12.12 H new ATOM 0 HG3 GLU A 26 -3.388 -5.620 -0.769 1.00 12.12 H new ATOM 377 N ALA A 27 -2.551 -3.210 0.025 1.00 14.33 N ATOM 378 CA ALA A 27 -3.249 -2.086 0.592 1.00 4.53 C ATOM 379 C ALA A 27 -2.256 -1.123 1.262 1.00 52.41 C ATOM 380 O ALA A 27 -2.317 0.089 1.047 1.00 24.02 O ATOM 381 CB ALA A 27 -4.266 -2.702 1.526 1.00 5.35 C ATOM 0 H ALA A 27 -2.623 -4.068 0.572 1.00 14.33 H new ATOM 0 HA ALA A 27 -3.759 -1.461 -0.142 1.00 4.53 H new ATOM 0 HB1 ALA A 27 -4.846 -1.913 2.004 1.00 5.35 H new ATOM 0 HB2 ALA A 27 -4.934 -3.351 0.960 1.00 5.35 H new ATOM 0 HB3 ALA A 27 -3.752 -3.287 2.289 1.00 5.35 H new ATOM 387 N ARG A 28 -1.290 -1.645 2.033 1.00 11.34 N ATOM 388 CA ARG A 28 -0.303 -0.828 2.752 1.00 64.03 C ATOM 389 C ARG A 28 0.527 0.032 1.791 1.00 3.52 C ATOM 390 O ARG A 28 0.768 1.195 2.104 1.00 11.20 O ATOM 391 CB ARG A 28 0.559 -1.723 3.672 1.00 41.20 C ATOM 392 CG ARG A 28 1.129 -1.034 4.931 1.00 3.35 C ATOM 393 CD ARG A 28 2.444 -0.263 4.724 1.00 4.12 C ATOM 394 NE ARG A 28 3.028 0.167 6.009 1.00 42.51 N ATOM 395 CZ ARG A 28 2.916 1.352 6.621 1.00 12.11 C ATOM 396 NH1 ARG A 28 2.183 2.339 6.112 1.00 3.44 N ATOM 397 NH2 ARG A 28 3.553 1.537 7.764 1.00 71.11 N ATOM 0 H ARG A 28 -1.172 -2.648 2.175 1.00 11.34 H new ATOM 0 HA ARG A 28 -0.829 -0.121 3.394 1.00 64.03 H new ATOM 0 HB2 ARG A 28 -0.043 -2.575 3.987 1.00 41.20 H new ATOM 0 HB3 ARG A 28 1.390 -2.119 3.089 1.00 41.20 H new ATOM 0 HG2 ARG A 28 0.380 -0.343 5.317 1.00 3.35 H new ATOM 0 HG3 ARG A 28 1.289 -1.792 5.698 1.00 3.35 H new ATOM 0 HD2 ARG A 28 3.157 -0.894 4.192 1.00 4.12 H new ATOM 0 HD3 ARG A 28 2.260 0.609 4.097 1.00 4.12 H new ATOM 0 HE ARG A 28 3.591 -0.531 6.495 1.00 42.51 H new ATOM 0 HH11 ARG A 28 1.687 2.204 5.231 1.00 3.44 H new ATOM 0 HH12 ARG A 28 2.117 3.231 6.603 1.00 3.44 H new ATOM 0 HH21 ARG A 28 4.115 0.785 8.162 1.00 71.11 H new ATOM 0 HH22 ARG A 28 3.482 2.432 8.248 1.00 71.11 H new ATOM 408 N ARG A 29 0.919 -0.462 0.607 1.00 65.31 N ATOM 409 CA ARG A 29 1.679 0.337 -0.373 1.00 13.21 C ATOM 410 C ARG A 29 0.938 1.608 -0.778 1.00 25.20 C ATOM 411 O ARG A 29 1.601 2.622 -0.996 1.00 64.14 O ATOM 412 CB ARG A 29 2.065 -0.465 -1.640 1.00 1.13 C ATOM 413 CG ARG A 29 0.861 -1.153 -2.283 1.00 31.23 C ATOM 414 CD ARG A 29 1.057 -1.683 -3.700 1.00 53.24 C ATOM 415 NE ARG A 29 -0.173 -2.339 -4.197 1.00 2.12 N ATOM 416 CZ ARG A 29 -1.307 -1.727 -4.584 1.00 43.52 C ATOM 417 NH1 ARG A 29 -1.311 -0.414 -4.781 1.00 23.04 N ATOM 418 NH2 ARG A 29 -2.435 -2.404 -4.767 1.00 70.24 N ATOM 0 H ARG A 29 0.722 -1.415 0.302 1.00 65.31 H new ATOM 0 HA ARG A 29 2.599 0.615 0.141 1.00 13.21 H new ATOM 0 HB2 ARG A 29 2.527 0.206 -2.365 1.00 1.13 H new ATOM 0 HB3 ARG A 29 2.812 -1.215 -1.379 1.00 1.13 H new ATOM 0 HG2 ARG A 29 0.563 -1.985 -1.646 1.00 31.23 H new ATOM 0 HG3 ARG A 29 0.031 -0.447 -2.295 1.00 31.23 H new ATOM 0 HD2 ARG A 29 1.329 -0.863 -4.364 1.00 53.24 H new ATOM 0 HD3 ARG A 29 1.884 -2.393 -3.715 1.00 53.24 H new ATOM 0 HE ARG A 29 -0.160 -3.357 -4.252 1.00 2.12 H new ATOM 0 HH11 ARG A 29 -0.457 0.126 -4.639 1.00 23.04 H new ATOM 0 HH12 ARG A 29 -2.168 0.055 -5.074 1.00 23.04 H new ATOM 0 HH21 ARG A 29 -2.455 -3.412 -4.614 1.00 70.24 H new ATOM 0 HH22 ARG A 29 -3.281 -1.916 -5.061 1.00 70.24 H new ATOM 429 N ASN A 30 -0.398 1.587 -0.867 1.00 72.21 N ATOM 430 CA ASN A 30 -1.160 2.761 -1.281 1.00 2.10 C ATOM 431 C ASN A 30 -0.975 3.860 -0.251 1.00 63.41 C ATOM 432 O ASN A 30 -0.719 5.006 -0.601 1.00 64.05 O ATOM 433 CB ASN A 30 -2.657 2.471 -1.407 1.00 2.10 C ATOM 434 CG ASN A 30 -3.027 1.645 -2.628 1.00 13.13 C ATOM 435 OD1 ASN A 30 -2.548 1.888 -3.730 1.00 41.41 O ATOM 436 ND2 ASN A 30 -3.872 0.655 -2.439 1.00 71.04 N ATOM 0 H ASN A 30 -0.969 0.768 -0.657 1.00 72.21 H new ATOM 0 HA ASN A 30 -0.788 3.061 -2.261 1.00 2.10 H new ATOM 0 HB2 ASN A 30 -2.992 1.947 -0.512 1.00 2.10 H new ATOM 0 HB3 ASN A 30 -3.198 3.417 -1.444 1.00 2.10 H new ATOM 0 HD21 ASN A 30 -4.147 0.063 -3.222 1.00 71.04 H new ATOM 0 HD22 ASN A 30 -4.252 0.480 -1.509 1.00 71.04 H new ATOM 442 N ARG A 31 -1.052 3.498 1.033 1.00 70.33 N ATOM 443 CA ARG A 31 -0.840 4.403 2.159 1.00 71.44 C ATOM 444 C ARG A 31 0.487 5.154 2.009 1.00 63.25 C ATOM 445 O ARG A 31 0.554 6.358 2.254 1.00 25.22 O ATOM 446 CB ARG A 31 -0.917 3.562 3.448 1.00 51.44 C ATOM 447 CG ARG A 31 -1.157 4.383 4.712 1.00 42.13 C ATOM 448 CD ARG A 31 -1.528 3.496 5.903 1.00 51.41 C ATOM 449 NE ARG A 31 -1.656 4.316 7.109 1.00 25.35 N ATOM 450 CZ ARG A 31 -2.291 3.979 8.235 1.00 61.21 C ATOM 451 NH1 ARG A 31 -2.833 2.775 8.395 1.00 32.03 N ATOM 452 NH2 ARG A 31 -2.375 4.874 9.208 1.00 22.11 N ATOM 0 H ARG A 31 -1.269 2.544 1.322 1.00 70.33 H new ATOM 0 HA ARG A 31 -1.608 5.176 2.196 1.00 71.44 H new ATOM 0 HB2 ARG A 31 -1.718 2.830 3.345 1.00 51.44 H new ATOM 0 HB3 ARG A 31 0.012 3.003 3.561 1.00 51.44 H new ATOM 0 HG2 ARG A 31 -0.260 4.955 4.950 1.00 42.13 H new ATOM 0 HG3 ARG A 31 -1.956 5.103 4.532 1.00 42.13 H new ATOM 0 HD2 ARG A 31 -2.465 2.977 5.704 1.00 51.41 H new ATOM 0 HD3 ARG A 31 -0.765 2.732 6.051 1.00 51.41 H new ATOM 0 HE ARG A 31 -1.217 5.236 7.087 1.00 25.35 H new ATOM 0 HH11 ARG A 31 -2.769 2.084 7.648 1.00 32.03 H new ATOM 0 HH12 ARG A 31 -3.312 2.543 9.265 1.00 32.03 H new ATOM 0 HH21 ARG A 31 -1.960 5.798 9.088 1.00 22.11 H new ATOM 0 HH22 ARG A 31 -2.855 4.639 10.077 1.00 22.11 H new ATOM 463 N LEU A 32 1.544 4.450 1.592 1.00 61.04 N ATOM 464 CA LEU A 32 2.870 5.022 1.369 1.00 25.01 C ATOM 465 C LEU A 32 2.833 5.960 0.161 1.00 71.01 C ATOM 466 O LEU A 32 3.257 7.109 0.249 1.00 5.13 O ATOM 467 CB LEU A 32 3.925 3.923 1.131 1.00 73.32 C ATOM 468 CG LEU A 32 3.946 2.792 2.173 1.00 5.30 C ATOM 469 CD1 LEU A 32 4.825 1.632 1.697 1.00 12.20 C ATOM 470 CD2 LEU A 32 4.386 3.294 3.547 1.00 34.20 C ATOM 0 H LEU A 32 1.498 3.450 1.397 1.00 61.04 H new ATOM 0 HA LEU A 32 3.150 5.577 2.264 1.00 25.01 H new ATOM 0 HB2 LEU A 32 3.753 3.485 0.148 1.00 73.32 H new ATOM 0 HB3 LEU A 32 4.910 4.388 1.105 1.00 73.32 H new ATOM 0 HG LEU A 32 2.926 2.423 2.280 1.00 5.30 H new ATOM 0 HD11 LEU A 32 4.825 0.843 2.449 1.00 12.20 H new ATOM 0 HD12 LEU A 32 4.432 1.239 0.759 1.00 12.20 H new ATOM 0 HD13 LEU A 32 5.844 1.987 1.543 1.00 12.20 H new ATOM 0 HD21 LEU A 32 4.387 2.464 4.254 1.00 34.20 H new ATOM 0 HD22 LEU A 32 5.390 3.713 3.477 1.00 34.20 H new ATOM 0 HD23 LEU A 32 3.695 4.063 3.892 1.00 34.20 H new ATOM 481 N LEU A 33 2.342 5.476 -0.984 1.00 25.23 N ATOM 482 CA LEU A 33 2.329 6.213 -2.253 1.00 71.24 C ATOM 483 C LEU A 33 1.497 7.498 -2.116 1.00 63.02 C ATOM 484 O LEU A 33 1.814 8.515 -2.728 1.00 61.43 O ATOM 485 CB LEU A 33 1.784 5.284 -3.359 1.00 23.12 C ATOM 486 CG LEU A 33 2.300 5.598 -4.779 1.00 31.30 C ATOM 487 CD1 LEU A 33 3.823 5.453 -4.889 1.00 42.15 C ATOM 488 CD2 LEU A 33 1.711 4.578 -5.757 1.00 64.45 C ATOM 0 H LEU A 33 1.935 4.544 -1.057 1.00 25.23 H new ATOM 0 HA LEU A 33 3.340 6.519 -2.524 1.00 71.24 H new ATOM 0 HB2 LEU A 33 2.046 4.255 -3.112 1.00 23.12 H new ATOM 0 HB3 LEU A 33 0.696 5.344 -3.361 1.00 23.12 H new ATOM 0 HG LEU A 33 2.009 6.624 -5.002 1.00 31.30 H new ATOM 0 HD11 LEU A 33 4.138 5.684 -5.907 1.00 42.15 H new ATOM 0 HD12 LEU A 33 4.305 6.141 -4.195 1.00 42.15 H new ATOM 0 HD13 LEU A 33 4.110 4.430 -4.644 1.00 42.15 H new ATOM 0 HD21 LEU A 33 2.069 4.791 -6.764 1.00 64.45 H new ATOM 0 HD22 LEU A 33 2.021 3.574 -5.466 1.00 64.45 H new ATOM 0 HD23 LEU A 33 0.623 4.642 -5.738 1.00 64.45 H new ATOM 499 N GLY A 34 0.494 7.493 -1.235 1.00 25.02 N ATOM 500 CA GLY A 34 -0.294 8.657 -0.877 1.00 24.04 C ATOM 501 C GLY A 34 0.543 9.749 -0.210 1.00 12.54 C ATOM 502 O GLY A 34 0.311 10.922 -0.484 1.00 33.43 O ATOM 0 H GLY A 34 0.205 6.649 -0.740 1.00 25.02 H new ATOM 0 HA2 GLY A 34 -0.766 9.062 -1.772 1.00 24.04 H new ATOM 0 HA3 GLY A 34 -1.096 8.356 -0.203 1.00 24.04 H new ATOM 506 N GLU A 35 1.526 9.416 0.637 1.00 22.14 N ATOM 507 CA GLU A 35 2.406 10.421 1.247 1.00 50.52 C ATOM 508 C GLU A 35 3.413 10.999 0.242 1.00 11.22 C ATOM 509 O GLU A 35 4.012 12.043 0.512 1.00 52.43 O ATOM 510 CB GLU A 35 3.161 9.861 2.468 1.00 42.34 C ATOM 511 CG GLU A 35 2.317 9.829 3.751 1.00 70.15 C ATOM 512 CD GLU A 35 3.204 9.921 4.998 1.00 10.22 C ATOM 513 OE1 GLU A 35 3.732 8.882 5.459 1.00 1.14 O ATOM 514 OE2 GLU A 35 3.386 11.047 5.520 1.00 31.30 O ATOM 0 H GLU A 35 1.732 8.457 0.916 1.00 22.14 H new ATOM 0 HA GLU A 35 1.751 11.226 1.580 1.00 50.52 H new ATOM 0 HB2 GLU A 35 3.502 8.851 2.242 1.00 42.34 H new ATOM 0 HB3 GLU A 35 4.051 10.466 2.643 1.00 42.34 H new ATOM 0 HG2 GLU A 35 1.607 10.656 3.744 1.00 70.15 H new ATOM 0 HG3 GLU A 35 1.733 8.909 3.783 1.00 70.15 H new ATOM 519 N TRP A 36 3.628 10.355 -0.908 1.00 44.51 N ATOM 520 CA TRP A 36 4.361 10.950 -2.024 1.00 63.14 C ATOM 521 C TRP A 36 3.411 11.909 -2.744 1.00 42.05 C ATOM 522 O TRP A 36 3.638 13.120 -2.764 1.00 65.43 O ATOM 523 CB TRP A 36 4.907 9.832 -2.930 1.00 14.12 C ATOM 524 CG TRP A 36 5.364 10.206 -4.307 1.00 5.31 C ATOM 525 CD1 TRP A 36 6.516 10.840 -4.629 1.00 53.11 C ATOM 526 CD2 TRP A 36 4.672 9.972 -5.572 1.00 63.22 C ATOM 527 NE1 TRP A 36 6.601 10.982 -6.001 1.00 3.32 N ATOM 528 CE2 TRP A 36 5.474 10.492 -6.629 1.00 43.23 C ATOM 529 CE3 TRP A 36 3.430 9.396 -5.929 1.00 51.42 C ATOM 530 CZ2 TRP A 36 5.040 10.475 -7.963 1.00 4.22 C ATOM 531 CZ3 TRP A 36 2.990 9.383 -7.266 1.00 32.23 C ATOM 532 CH2 TRP A 36 3.788 9.928 -8.283 1.00 5.21 C ATOM 0 H TRP A 36 3.298 9.407 -1.090 1.00 44.51 H new ATOM 0 HA TRP A 36 5.227 11.522 -1.690 1.00 63.14 H new ATOM 0 HB2 TRP A 36 5.746 9.364 -2.415 1.00 14.12 H new ATOM 0 HB3 TRP A 36 4.131 9.073 -3.030 1.00 14.12 H new ATOM 0 HD1 TRP A 36 7.256 11.183 -3.921 1.00 53.11 H new ATOM 0 HE1 TRP A 36 7.396 11.396 -6.488 1.00 3.32 H new ATOM 0 HE3 TRP A 36 2.808 8.958 -5.162 1.00 51.42 H new ATOM 0 HZ2 TRP A 36 5.668 10.882 -8.742 1.00 4.22 H new ATOM 0 HZ3 TRP A 36 2.031 8.950 -7.511 1.00 32.23 H new ATOM 0 HH2 TRP A 36 3.441 9.927 -9.306 1.00 5.21 H new ATOM 542 N ALA A 37 2.302 11.371 -3.265 1.00 43.45 N ATOM 543 CA ALA A 37 1.354 12.085 -4.109 1.00 3.00 C ATOM 544 C ALA A 37 0.770 13.314 -3.415 1.00 25.54 C ATOM 545 O ALA A 37 0.627 14.349 -4.058 1.00 2.00 O ATOM 546 CB ALA A 37 0.239 11.126 -4.537 1.00 43.32 C ATOM 0 H ALA A 37 2.038 10.399 -3.103 1.00 43.45 H new ATOM 0 HA ALA A 37 1.888 12.448 -4.987 1.00 3.00 H new ATOM 0 HB1 ALA A 37 -0.474 11.656 -5.169 1.00 43.32 H new ATOM 0 HB2 ALA A 37 0.669 10.293 -5.094 1.00 43.32 H new ATOM 0 HB3 ALA A 37 -0.273 10.746 -3.653 1.00 43.32 H new ATOM 552 N ALA A 38 0.457 13.250 -2.121 1.00 2.24 N ATOM 553 CA ALA A 38 -0.091 14.387 -1.388 1.00 22.42 C ATOM 554 C ALA A 38 0.801 15.629 -1.539 1.00 13.10 C ATOM 555 O ALA A 38 0.303 16.729 -1.791 1.00 13.31 O ATOM 556 CB ALA A 38 -0.247 14.008 0.082 1.00 44.33 C ATOM 0 H ALA A 38 0.576 12.410 -1.554 1.00 2.24 H new ATOM 0 HA ALA A 38 -1.067 14.638 -1.803 1.00 22.42 H new ATOM 0 HB1 ALA A 38 -0.656 14.854 0.634 1.00 44.33 H new ATOM 0 HB2 ALA A 38 -0.923 13.157 0.169 1.00 44.33 H new ATOM 0 HB3 ALA A 38 0.726 13.742 0.494 1.00 44.33 H new ATOM 562 N GLY A 39 2.122 15.447 -1.458 1.00 33.51 N ATOM 563 CA GLY A 39 3.088 16.522 -1.621 1.00 61.43 C ATOM 564 C GLY A 39 3.110 17.106 -3.027 1.00 43.24 C ATOM 565 O GLY A 39 3.535 18.246 -3.203 1.00 52.13 O ATOM 0 H GLY A 39 2.549 14.539 -1.276 1.00 33.51 H new ATOM 0 HA2 GLY A 39 2.861 17.316 -0.909 1.00 61.43 H new ATOM 0 HA3 GLY A 39 4.082 16.148 -1.375 1.00 61.43 H new ATOM 569 N LEU A 40 2.639 16.356 -4.021 1.00 13.13 N ATOM 570 CA LEU A 40 2.628 16.749 -5.420 1.00 21.42 C ATOM 571 C LEU A 40 1.383 17.556 -5.742 1.00 31.10 C ATOM 572 O LEU A 40 1.503 18.566 -6.430 1.00 73.24 O ATOM 573 CB LEU A 40 2.736 15.499 -6.302 1.00 14.14 C ATOM 574 CG LEU A 40 4.069 14.767 -6.117 1.00 42.02 C ATOM 575 CD1 LEU A 40 4.058 13.510 -6.982 1.00 61.14 C ATOM 576 CD2 LEU A 40 5.263 15.616 -6.549 1.00 44.14 C ATOM 0 H LEU A 40 2.243 15.429 -3.865 1.00 13.13 H new ATOM 0 HA LEU A 40 3.486 17.390 -5.623 1.00 21.42 H new ATOM 0 HB2 LEU A 40 1.916 14.820 -6.067 1.00 14.14 H new ATOM 0 HB3 LEU A 40 2.624 15.785 -7.348 1.00 14.14 H new ATOM 0 HG LEU A 40 4.173 14.538 -5.057 1.00 42.02 H new ATOM 0 HD11 LEU A 40 5.001 12.977 -6.861 1.00 61.14 H new ATOM 0 HD12 LEU A 40 3.235 12.865 -6.676 1.00 61.14 H new ATOM 0 HD13 LEU A 40 3.930 13.789 -8.028 1.00 61.14 H new ATOM 0 HD21 LEU A 40 6.184 15.052 -6.398 1.00 44.14 H new ATOM 0 HD22 LEU A 40 5.164 15.874 -7.603 1.00 44.14 H new ATOM 0 HD23 LEU A 40 5.295 16.529 -5.954 1.00 44.14 H new ATOM 587 N LEU A 41 0.220 17.201 -5.184 1.00 31.40 N ATOM 588 CA LEU A 41 -0.926 18.115 -5.159 1.00 43.14 C ATOM 589 C LEU A 41 -0.519 19.406 -4.451 1.00 1.03 C ATOM 590 O LEU A 41 -0.925 20.494 -4.847 1.00 70.14 O ATOM 591 CB LEU A 41 -2.131 17.520 -4.421 1.00 54.12 C ATOM 592 CG LEU A 41 -2.931 16.414 -5.125 1.00 44.12 C ATOM 593 CD1 LEU A 41 -3.290 16.674 -6.588 1.00 2.00 C ATOM 594 CD2 LEU A 41 -2.259 15.067 -4.982 1.00 12.31 C ATOM 0 H LEU A 41 0.049 16.295 -4.747 1.00 31.40 H new ATOM 0 HA LEU A 41 -1.218 18.300 -6.193 1.00 43.14 H new ATOM 0 HB2 LEU A 41 -1.777 17.123 -3.469 1.00 54.12 H new ATOM 0 HB3 LEU A 41 -2.818 18.335 -4.191 1.00 54.12 H new ATOM 0 HG LEU A 41 -3.885 16.415 -4.597 1.00 44.12 H new ATOM 0 HD11 LEU A 41 -3.853 15.827 -6.980 1.00 2.00 H new ATOM 0 HD12 LEU A 41 -3.896 17.577 -6.659 1.00 2.00 H new ATOM 0 HD13 LEU A 41 -2.377 16.803 -7.169 1.00 2.00 H new ATOM 0 HD21 LEU A 41 -2.853 14.308 -5.492 1.00 12.31 H new ATOM 0 HD22 LEU A 41 -1.264 15.108 -5.425 1.00 12.31 H new ATOM 0 HD23 LEU A 41 -2.175 14.812 -3.925 1.00 12.31 H new ATOM 605 N GLY A 42 0.299 19.270 -3.406 1.00 53.24 N ATOM 606 CA GLY A 42 0.706 20.358 -2.536 1.00 70.15 C ATOM 607 C GLY A 42 -0.205 20.453 -1.332 1.00 30.41 C ATOM 608 O GLY A 42 -0.416 21.553 -0.819 1.00 45.44 O ATOM 0 H GLY A 42 0.704 18.372 -3.140 1.00 53.24 H new ATOM 0 HA2 GLY A 42 1.734 20.203 -2.208 1.00 70.15 H new ATOM 0 HA3 GLY A 42 0.686 21.298 -3.088 1.00 70.15 H new ATOM 612 N LYS A 43 -0.719 19.306 -0.878 1.00 54.03 N ATOM 613 CA LYS A 43 -1.459 19.247 0.362 1.00 5.10 C ATOM 614 C LYS A 43 -0.538 19.606 1.519 1.00 44.32 C ATOM 615 O LYS A 43 0.659 19.311 1.464 1.00 32.22 O ATOM 616 CB LYS A 43 -2.015 17.848 0.629 1.00 62.42 C ATOM 617 CG LYS A 43 -2.927 17.209 -0.415 1.00 22.50 C ATOM 618 CD LYS A 43 -4.160 18.035 -0.785 1.00 53.05 C ATOM 619 CE LYS A 43 -5.057 17.204 -1.709 1.00 3.34 C ATOM 620 NZ LYS A 43 -6.434 17.063 -1.193 1.00 45.13 N ATOM 0 H LYS A 43 -0.630 18.411 -1.359 1.00 54.03 H new ATOM 0 HA LYS A 43 -2.288 19.949 0.277 1.00 5.10 H new ATOM 0 HB2 LYS A 43 -1.168 17.179 0.781 1.00 62.42 H new ATOM 0 HB3 LYS A 43 -2.565 17.885 1.570 1.00 62.42 H new ATOM 0 HG2 LYS A 43 -2.347 17.024 -1.319 1.00 22.50 H new ATOM 0 HG3 LYS A 43 -3.256 16.238 -0.044 1.00 22.50 H new ATOM 0 HD2 LYS A 43 -4.706 18.320 0.114 1.00 53.05 H new ATOM 0 HD3 LYS A 43 -3.860 18.958 -1.281 1.00 53.05 H new ATOM 0 HE2 LYS A 43 -5.089 17.671 -2.694 1.00 3.34 H new ATOM 0 HE3 LYS A 43 -4.619 16.214 -1.839 1.00 3.34 H new ATOM 0 HZ1 LYS A 43 -6.997 16.493 -1.856 1.00 45.13 H new ATOM 0 HZ2 LYS A 43 -6.411 16.593 -0.266 1.00 45.13 H new ATOM 0 HZ3 LYS A 43 -6.865 18.004 -1.093 1.00 45.13 H new ATOM 630 N THR A 44 -1.107 20.136 2.597 1.00 54.21 N ATOM 631 CA THR A 44 -0.342 20.572 3.763 1.00 24.22 C ATOM 632 C THR A 44 -1.157 20.440 5.057 1.00 24.52 C ATOM 633 O THR A 44 -2.389 20.428 5.023 1.00 2.21 O ATOM 634 CB THR A 44 0.150 22.025 3.537 1.00 12.23 C ATOM 635 OG1 THR A 44 -0.826 22.905 2.996 1.00 51.22 O ATOM 636 CG2 THR A 44 1.315 22.084 2.549 1.00 31.31 C ATOM 0 H THR A 44 -2.113 20.276 2.688 1.00 54.21 H new ATOM 0 HA THR A 44 0.525 19.922 3.881 1.00 24.22 H new ATOM 0 HB THR A 44 0.426 22.344 4.542 1.00 12.23 H new ATOM 0 HG1 THR A 44 -0.437 23.798 2.887 1.00 51.22 H new ATOM 0 HG21 THR A 44 1.630 23.119 2.419 1.00 31.31 H new ATOM 0 HG22 THR A 44 2.149 21.497 2.934 1.00 31.31 H new ATOM 0 HG23 THR A 44 0.998 21.677 1.588 1.00 31.31 H new ATOM 644 N GLY A 45 -0.492 20.420 6.215 1.00 42.02 N ATOM 645 CA GLY A 45 -1.137 20.505 7.517 1.00 43.23 C ATOM 646 C GLY A 45 -1.718 19.157 7.898 1.00 74.53 C ATOM 647 O GLY A 45 -0.980 18.285 8.363 1.00 54.44 O ATOM 0 H GLY A 45 0.524 20.343 6.269 1.00 42.02 H new ATOM 0 HA2 GLY A 45 -0.416 20.825 8.269 1.00 43.23 H new ATOM 0 HA3 GLY A 45 -1.926 21.256 7.493 1.00 43.23 H new ATOM 651 N ASP A 46 -3.001 18.940 7.627 1.00 23.50 N ATOM 652 CA ASP A 46 -3.700 17.664 7.834 1.00 3.14 C ATOM 653 C ASP A 46 -4.339 17.104 6.564 1.00 34.11 C ATOM 654 O ASP A 46 -4.714 15.935 6.495 1.00 25.10 O ATOM 655 CB ASP A 46 -4.743 17.799 8.944 1.00 5.30 C ATOM 656 CG ASP A 46 -6.038 18.564 8.656 1.00 51.14 C ATOM 657 OD1 ASP A 46 -6.279 19.015 7.515 1.00 42.34 O ATOM 658 OD2 ASP A 46 -6.855 18.667 9.602 1.00 52.12 O ATOM 0 H ASP A 46 -3.607 19.666 7.245 1.00 23.50 H new ATOM 0 HA ASP A 46 -2.938 16.944 8.134 1.00 3.14 H new ATOM 0 HB2 ASP A 46 -5.018 16.793 9.261 1.00 5.30 H new ATOM 0 HB3 ASP A 46 -4.259 18.280 9.794 1.00 5.30 H new ATOM 662 N ASP A 47 -4.442 17.933 5.541 1.00 43.51 N ATOM 663 CA ASP A 47 -4.981 17.607 4.230 1.00 10.43 C ATOM 664 C ASP A 47 -4.166 16.488 3.587 1.00 50.21 C ATOM 665 O ASP A 47 -4.739 15.610 2.938 1.00 73.44 O ATOM 666 CB ASP A 47 -4.958 18.841 3.312 1.00 1.43 C ATOM 667 CG ASP A 47 -6.294 19.554 3.054 1.00 64.33 C ATOM 668 OD1 ASP A 47 -7.332 19.268 3.691 1.00 64.44 O ATOM 669 OD2 ASP A 47 -6.326 20.436 2.170 1.00 63.32 O ATOM 0 H ASP A 47 -4.136 18.904 5.604 1.00 43.51 H new ATOM 0 HA ASP A 47 -6.012 17.278 4.361 1.00 10.43 H new ATOM 0 HB2 ASP A 47 -4.266 19.566 3.740 1.00 1.43 H new ATOM 0 HB3 ASP A 47 -4.547 18.537 2.349 1.00 1.43 H new ATOM 673 N ALA A 48 -2.837 16.508 3.751 1.00 30.53 N ATOM 674 CA ALA A 48 -1.961 15.495 3.171 1.00 53.42 C ATOM 675 C ALA A 48 -2.181 14.165 3.874 1.00 34.02 C ATOM 676 O ALA A 48 -2.168 13.113 3.235 1.00 2.31 O ATOM 677 CB ALA A 48 -0.483 15.897 3.280 1.00 32.52 C ATOM 0 H ALA A 48 -2.346 17.224 4.287 1.00 30.53 H new ATOM 0 HA ALA A 48 -2.208 15.403 2.113 1.00 53.42 H new ATOM 0 HB1 ALA A 48 0.139 15.119 2.838 1.00 32.52 H new ATOM 0 HB2 ALA A 48 -0.321 16.836 2.750 1.00 32.52 H new ATOM 0 HB3 ALA A 48 -0.216 16.022 4.329 1.00 32.52 H new ATOM 683 N ARG A 49 -2.424 14.205 5.189 1.00 30.02 N ATOM 684 CA ARG A 49 -2.719 12.997 5.938 1.00 4.21 C ATOM 685 C ARG A 49 -4.008 12.379 5.422 1.00 13.30 C ATOM 686 O ARG A 49 -3.999 11.191 5.118 1.00 11.22 O ATOM 687 CB ARG A 49 -2.831 13.282 7.431 1.00 51.33 C ATOM 688 CG ARG A 49 -1.526 13.651 8.135 1.00 33.34 C ATOM 689 CD ARG A 49 -1.741 13.398 9.627 1.00 52.31 C ATOM 690 NE ARG A 49 -0.520 13.595 10.418 1.00 72.11 N ATOM 691 CZ ARG A 49 0.489 12.722 10.552 1.00 4.53 C ATOM 692 NH1 ARG A 49 0.525 11.587 9.853 1.00 30.21 N ATOM 693 NH2 ARG A 49 1.471 12.985 11.401 1.00 2.15 N ATOM 0 H ARG A 49 -2.420 15.059 5.746 1.00 30.02 H new ATOM 0 HA ARG A 49 -1.897 12.296 5.796 1.00 4.21 H new ATOM 0 HB2 ARG A 49 -3.542 14.095 7.575 1.00 51.33 H new ATOM 0 HB3 ARG A 49 -3.250 12.402 7.920 1.00 51.33 H new ATOM 0 HG2 ARG A 49 -0.699 13.050 7.756 1.00 33.34 H new ATOM 0 HG3 ARG A 49 -1.271 14.695 7.953 1.00 33.34 H new ATOM 0 HD2 ARG A 49 -2.519 14.066 9.996 1.00 52.31 H new ATOM 0 HD3 ARG A 49 -2.101 12.379 9.770 1.00 52.31 H new ATOM 0 HE ARG A 49 -0.430 14.482 10.914 1.00 72.11 H new ATOM 0 HH11 ARG A 49 -0.226 11.367 9.199 1.00 30.21 H new ATOM 0 HH12 ARG A 49 1.303 10.939 9.973 1.00 30.21 H new ATOM 0 HH21 ARG A 49 1.456 13.846 11.947 1.00 2.15 H new ATOM 0 HH22 ARG A 49 2.242 12.326 11.509 1.00 2.15 H new ATOM 704 N ALA A 50 -5.088 13.155 5.305 1.00 23.03 N ATOM 705 CA ALA A 50 -6.360 12.657 4.797 1.00 53.54 C ATOM 706 C ALA A 50 -6.166 12.013 3.419 1.00 4.43 C ATOM 707 O ALA A 50 -6.605 10.885 3.195 1.00 24.04 O ATOM 708 CB ALA A 50 -7.388 13.792 4.755 1.00 22.30 C ATOM 0 H ALA A 50 -5.102 14.143 5.560 1.00 23.03 H new ATOM 0 HA ALA A 50 -6.741 11.887 5.468 1.00 53.54 H new ATOM 0 HB1 ALA A 50 -8.335 13.411 4.374 1.00 22.30 H new ATOM 0 HB2 ALA A 50 -7.534 14.188 5.760 1.00 22.30 H new ATOM 0 HB3 ALA A 50 -7.027 14.586 4.101 1.00 22.30 H new ATOM 714 N TYR A 51 -5.457 12.706 2.519 1.00 42.24 N ATOM 715 CA TYR A 51 -5.128 12.221 1.186 1.00 74.45 C ATOM 716 C TYR A 51 -4.413 10.862 1.259 1.00 11.52 C ATOM 717 O TYR A 51 -4.780 9.922 0.550 1.00 41.13 O ATOM 718 CB TYR A 51 -4.297 13.288 0.458 1.00 45.43 C ATOM 719 CG TYR A 51 -4.054 12.991 -1.005 1.00 10.31 C ATOM 720 CD1 TYR A 51 -3.080 12.051 -1.386 1.00 14.52 C ATOM 721 CD2 TYR A 51 -4.815 13.643 -1.991 1.00 61.34 C ATOM 722 CE1 TYR A 51 -2.915 11.717 -2.738 1.00 14.42 C ATOM 723 CE2 TYR A 51 -4.614 13.357 -3.352 1.00 52.24 C ATOM 724 CZ TYR A 51 -3.690 12.358 -3.728 1.00 30.12 C ATOM 725 OH TYR A 51 -3.553 12.014 -5.039 1.00 3.44 O ATOM 0 H TYR A 51 -5.091 13.639 2.708 1.00 42.24 H new ATOM 0 HA TYR A 51 -6.041 12.053 0.614 1.00 74.45 H new ATOM 0 HB2 TYR A 51 -4.805 14.249 0.543 1.00 45.43 H new ATOM 0 HB3 TYR A 51 -3.336 13.390 0.961 1.00 45.43 H new ATOM 0 HD1 TYR A 51 -2.458 11.585 -0.636 1.00 14.52 H new ATOM 0 HD2 TYR A 51 -5.560 14.369 -1.700 1.00 61.34 H new ATOM 0 HE1 TYR A 51 -2.192 10.967 -3.023 1.00 14.42 H new ATOM 0 HE2 TYR A 51 -5.164 13.899 -4.107 1.00 52.24 H new ATOM 0 HH TYR A 51 -4.286 12.406 -5.558 1.00 3.44 H new ATOM 734 N ALA A 52 -3.408 10.721 2.127 1.00 10.44 N ATOM 735 CA ALA A 52 -2.666 9.476 2.318 1.00 32.20 C ATOM 736 C ALA A 52 -3.528 8.311 2.825 1.00 61.45 C ATOM 737 O ALA A 52 -3.112 7.155 2.712 1.00 70.34 O ATOM 738 CB ALA A 52 -1.512 9.715 3.299 1.00 4.53 C ATOM 0 H ALA A 52 -3.083 11.481 2.725 1.00 10.44 H new ATOM 0 HA ALA A 52 -2.295 9.185 1.335 1.00 32.20 H new ATOM 0 HB1 ALA A 52 -0.958 8.787 3.442 1.00 4.53 H new ATOM 0 HB2 ALA A 52 -0.845 10.478 2.897 1.00 4.53 H new ATOM 0 HB3 ALA A 52 -1.912 10.050 4.256 1.00 4.53 H new ATOM 744 N LEU A 53 -4.695 8.583 3.415 1.00 4.20 N ATOM 745 CA LEU A 53 -5.495 7.590 4.127 1.00 10.14 C ATOM 746 C LEU A 53 -6.692 7.138 3.300 1.00 65.02 C ATOM 747 O LEU A 53 -6.993 5.944 3.276 1.00 5.11 O ATOM 748 CB LEU A 53 -5.937 8.158 5.483 1.00 53.54 C ATOM 749 CG LEU A 53 -4.748 8.385 6.440 1.00 65.34 C ATOM 750 CD1 LEU A 53 -5.128 9.395 7.522 1.00 52.23 C ATOM 751 CD2 LEU A 53 -4.260 7.080 7.079 1.00 3.42 C ATOM 0 H LEU A 53 -5.114 9.513 3.410 1.00 4.20 H new ATOM 0 HA LEU A 53 -4.879 6.707 4.299 1.00 10.14 H new ATOM 0 HB2 LEU A 53 -6.459 9.102 5.326 1.00 53.54 H new ATOM 0 HB3 LEU A 53 -6.648 7.474 5.946 1.00 53.54 H new ATOM 0 HG LEU A 53 -3.924 8.782 5.847 1.00 65.34 H new ATOM 0 HD11 LEU A 53 -4.281 9.547 8.191 1.00 52.23 H new ATOM 0 HD12 LEU A 53 -5.397 10.343 7.056 1.00 52.23 H new ATOM 0 HD13 LEU A 53 -5.977 9.016 8.091 1.00 52.23 H new ATOM 0 HD21 LEU A 53 -3.423 7.291 7.744 1.00 3.42 H new ATOM 0 HD22 LEU A 53 -5.072 6.629 7.650 1.00 3.42 H new ATOM 0 HD23 LEU A 53 -3.938 6.391 6.298 1.00 3.42 H new ATOM 762 N THR A 54 -7.356 8.042 2.584 1.00 1.20 N ATOM 763 CA THR A 54 -8.566 7.728 1.819 1.00 63.41 C ATOM 764 C THR A 54 -8.312 6.590 0.816 1.00 31.44 C ATOM 765 O THR A 54 -9.155 5.703 0.655 1.00 63.41 O ATOM 766 CB THR A 54 -9.146 9.011 1.179 1.00 73.35 C ATOM 767 OG1 THR A 54 -10.307 8.704 0.432 1.00 30.03 O ATOM 768 CG2 THR A 54 -8.166 9.753 0.264 1.00 64.02 C ATOM 0 H THR A 54 -7.071 9.019 2.516 1.00 1.20 H new ATOM 0 HA THR A 54 -9.332 7.350 2.496 1.00 63.41 H new ATOM 0 HB THR A 54 -9.374 9.672 2.015 1.00 73.35 H new ATOM 0 HG1 THR A 54 -10.666 9.524 0.033 1.00 30.03 H new ATOM 0 HG21 THR A 54 -8.650 10.640 -0.144 1.00 64.02 H new ATOM 0 HG22 THR A 54 -7.287 10.050 0.837 1.00 64.02 H new ATOM 0 HG23 THR A 54 -7.863 9.097 -0.552 1.00 64.02 H new ATOM 776 N VAL A 55 -7.129 6.544 0.191 1.00 12.11 N ATOM 777 CA VAL A 55 -6.778 5.512 -0.778 1.00 44.35 C ATOM 778 C VAL A 55 -6.762 4.105 -0.162 1.00 31.22 C ATOM 779 O VAL A 55 -7.042 3.130 -0.856 1.00 21.24 O ATOM 780 CB VAL A 55 -5.448 5.888 -1.454 1.00 4.20 C ATOM 781 CG1 VAL A 55 -4.267 5.921 -0.469 1.00 70.21 C ATOM 782 CG2 VAL A 55 -5.153 4.975 -2.647 1.00 73.15 C ATOM 0 H VAL A 55 -6.388 7.228 0.348 1.00 12.11 H new ATOM 0 HA VAL A 55 -7.553 5.468 -1.543 1.00 44.35 H new ATOM 0 HB VAL A 55 -5.567 6.905 -1.827 1.00 4.20 H new ATOM 0 HG11 VAL A 55 -3.356 6.192 -1.002 1.00 70.21 H new ATOM 0 HG12 VAL A 55 -4.464 6.657 0.310 1.00 70.21 H new ATOM 0 HG13 VAL A 55 -4.143 4.937 -0.016 1.00 70.21 H new ATOM 0 HG21 VAL A 55 -4.207 5.266 -3.103 1.00 73.15 H new ATOM 0 HG22 VAL A 55 -5.089 3.941 -2.307 1.00 73.15 H new ATOM 0 HG23 VAL A 55 -5.953 5.066 -3.382 1.00 73.15 H new ATOM 792 N VAL A 56 -6.513 3.958 1.138 1.00 43.55 N ATOM 793 CA VAL A 56 -6.236 2.677 1.771 1.00 45.51 C ATOM 794 C VAL A 56 -7.448 2.291 2.613 1.00 10.22 C ATOM 795 O VAL A 56 -7.424 2.316 3.845 1.00 61.01 O ATOM 796 CB VAL A 56 -4.857 2.723 2.463 1.00 51.44 C ATOM 797 CG1 VAL A 56 -4.674 3.935 3.391 1.00 63.21 C ATOM 798 CG2 VAL A 56 -4.514 1.408 3.182 1.00 45.50 C ATOM 0 H VAL A 56 -6.499 4.742 1.790 1.00 43.55 H new ATOM 0 HA VAL A 56 -6.122 1.855 1.064 1.00 45.51 H new ATOM 0 HB VAL A 56 -4.139 2.849 1.652 1.00 51.44 H new ATOM 0 HG11 VAL A 56 -3.682 3.901 3.842 1.00 63.21 H new ATOM 0 HG12 VAL A 56 -4.779 4.854 2.814 1.00 63.21 H new ATOM 0 HG13 VAL A 56 -5.431 3.910 4.175 1.00 63.21 H new ATOM 0 HG21 VAL A 56 -3.534 1.495 3.651 1.00 45.50 H new ATOM 0 HG22 VAL A 56 -5.265 1.204 3.945 1.00 45.50 H new ATOM 0 HG23 VAL A 56 -4.499 0.592 2.460 1.00 45.50 H new ATOM 915 N GLU A 66 -3.773 -3.338 -11.276 1.00 31.40 N ATOM 916 CA GLU A 66 -2.701 -2.377 -11.553 1.00 64.21 C ATOM 917 C GLU A 66 -3.288 -0.997 -11.906 1.00 53.34 C ATOM 918 O GLU A 66 -2.588 -0.080 -12.335 1.00 51.41 O ATOM 919 CB GLU A 66 -1.759 -2.980 -12.616 1.00 43.21 C ATOM 920 CG GLU A 66 -2.402 -3.323 -13.973 1.00 55.13 C ATOM 921 CD GLU A 66 -1.587 -4.376 -14.740 1.00 62.44 C ATOM 922 OE1 GLU A 66 -0.335 -4.257 -14.813 1.00 61.02 O ATOM 923 OE2 GLU A 66 -2.180 -5.341 -15.274 1.00 11.32 O ATOM 0 HA GLU A 66 -2.092 -2.194 -10.668 1.00 64.21 H new ATOM 0 HB2 GLU A 66 -0.944 -2.278 -12.790 1.00 43.21 H new ATOM 0 HB3 GLU A 66 -1.316 -3.888 -12.207 1.00 43.21 H new ATOM 0 HG2 GLU A 66 -3.415 -3.693 -13.812 1.00 55.13 H new ATOM 0 HG3 GLU A 66 -2.485 -2.418 -14.575 1.00 55.13 H new ATOM 928 N ASP A 67 -4.591 -0.832 -11.664 1.00 25.24 N ATOM 929 CA ASP A 67 -5.432 0.304 -12.057 1.00 65.42 C ATOM 930 C ASP A 67 -5.079 1.573 -11.276 1.00 62.41 C ATOM 931 O ASP A 67 -5.408 2.697 -11.665 1.00 50.52 O ATOM 932 CB ASP A 67 -6.910 -0.063 -11.829 1.00 73.15 C ATOM 933 CG ASP A 67 -7.683 -0.062 -13.143 1.00 34.12 C ATOM 934 OD1 ASP A 67 -7.715 0.998 -13.810 1.00 64.23 O ATOM 935 OD2 ASP A 67 -8.233 -1.124 -13.504 1.00 73.22 O ATOM 0 H ASP A 67 -5.124 -1.536 -11.153 1.00 25.24 H new ATOM 0 HA ASP A 67 -5.254 0.514 -13.112 1.00 65.42 H new ATOM 0 HB2 ASP A 67 -6.976 -1.047 -11.365 1.00 73.15 H new ATOM 0 HB3 ASP A 67 -7.362 0.647 -11.137 1.00 73.15 H new ATOM 939 N VAL A 68 -4.354 1.380 -10.181 1.00 34.44 N ATOM 940 CA VAL A 68 -3.786 2.384 -9.304 1.00 53.55 C ATOM 941 C VAL A 68 -2.788 3.271 -10.056 1.00 5.14 C ATOM 942 O VAL A 68 -2.552 4.401 -9.624 1.00 44.31 O ATOM 943 CB VAL A 68 -3.167 1.608 -8.124 1.00 44.43 C ATOM 944 CG1 VAL A 68 -2.343 2.460 -7.147 1.00 32.21 C ATOM 945 CG2 VAL A 68 -4.287 0.965 -7.297 1.00 63.24 C ATOM 0 H VAL A 68 -4.133 0.437 -9.861 1.00 34.44 H new ATOM 0 HA VAL A 68 -4.534 3.083 -8.930 1.00 53.55 H new ATOM 0 HB VAL A 68 -2.494 0.886 -8.587 1.00 44.43 H new ATOM 0 HG11 VAL A 68 -1.950 1.825 -6.353 1.00 32.21 H new ATOM 0 HG12 VAL A 68 -1.516 2.928 -7.681 1.00 32.21 H new ATOM 0 HG13 VAL A 68 -2.978 3.233 -6.713 1.00 32.21 H new ATOM 0 HG21 VAL A 68 -3.853 0.415 -6.462 1.00 63.24 H new ATOM 0 HG22 VAL A 68 -4.949 1.742 -6.915 1.00 63.24 H new ATOM 0 HG23 VAL A 68 -4.856 0.280 -7.926 1.00 63.24 H new ATOM 955 N PHE A 69 -2.236 2.831 -11.198 1.00 41.33 N ATOM 956 CA PHE A 69 -1.538 3.734 -12.113 1.00 30.00 C ATOM 957 C PHE A 69 -2.503 4.841 -12.531 1.00 71.02 C ATOM 958 O PHE A 69 -2.276 6.002 -12.209 1.00 61.14 O ATOM 959 CB PHE A 69 -0.974 2.964 -13.323 1.00 10.53 C ATOM 960 CG PHE A 69 -0.449 3.840 -14.450 1.00 44.32 C ATOM 961 CD1 PHE A 69 0.892 4.285 -14.488 1.00 30.30 C ATOM 962 CD2 PHE A 69 -1.323 4.209 -15.492 1.00 30.01 C ATOM 963 CE1 PHE A 69 1.318 5.135 -15.520 1.00 33.03 C ATOM 964 CE2 PHE A 69 -0.884 5.037 -16.535 1.00 44.13 C ATOM 965 CZ PHE A 69 0.439 5.504 -16.552 1.00 10.44 C ATOM 0 H PHE A 69 -2.262 1.859 -11.505 1.00 41.33 H new ATOM 0 HA PHE A 69 -0.681 4.186 -11.613 1.00 30.00 H new ATOM 0 HB2 PHE A 69 -0.167 2.317 -12.979 1.00 10.53 H new ATOM 0 HB3 PHE A 69 -1.756 2.316 -13.720 1.00 10.53 H new ATOM 0 HD1 PHE A 69 1.588 3.971 -13.724 1.00 30.30 H new ATOM 0 HD2 PHE A 69 -2.342 3.850 -15.487 1.00 30.01 H new ATOM 0 HE1 PHE A 69 2.331 5.509 -15.521 1.00 33.03 H new ATOM 0 HE2 PHE A 69 -1.565 5.315 -17.326 1.00 44.13 H new ATOM 0 HZ PHE A 69 0.779 6.143 -17.353 1.00 10.44 H new ATOM 974 N ARG A 70 -3.603 4.485 -13.200 1.00 42.14 N ATOM 975 CA ARG A 70 -4.526 5.446 -13.791 1.00 5.50 C ATOM 976 C ARG A 70 -5.136 6.374 -12.746 1.00 4.31 C ATOM 977 O ARG A 70 -5.295 7.565 -13.008 1.00 54.12 O ATOM 978 CB ARG A 70 -5.638 4.697 -14.532 1.00 64.22 C ATOM 979 CG ARG A 70 -6.325 5.612 -15.547 1.00 42.23 C ATOM 980 CD ARG A 70 -7.653 5.015 -16.031 1.00 34.32 C ATOM 981 NE ARG A 70 -7.730 5.022 -17.495 1.00 43.51 N ATOM 982 CZ ARG A 70 -7.056 4.216 -18.314 1.00 33.12 C ATOM 983 NH1 ARG A 70 -6.622 3.041 -17.876 1.00 71.43 N ATOM 984 NH2 ARG A 70 -6.820 4.601 -19.555 1.00 13.20 N ATOM 0 H ARG A 70 -3.876 3.513 -13.345 1.00 42.14 H new ATOM 0 HA ARG A 70 -3.961 6.065 -14.487 1.00 5.50 H new ATOM 0 HB2 ARG A 70 -5.221 3.829 -15.042 1.00 64.22 H new ATOM 0 HB3 ARG A 70 -6.371 4.324 -13.817 1.00 64.22 H new ATOM 0 HG2 ARG A 70 -6.506 6.587 -15.095 1.00 42.23 H new ATOM 0 HG3 ARG A 70 -5.665 5.773 -16.399 1.00 42.23 H new ATOM 0 HD2 ARG A 70 -7.752 3.994 -15.663 1.00 34.32 H new ATOM 0 HD3 ARG A 70 -8.485 5.585 -15.617 1.00 34.32 H new ATOM 0 HE ARG A 70 -8.355 5.704 -17.924 1.00 43.51 H new ATOM 0 HH11 ARG A 70 -6.805 2.756 -16.914 1.00 71.43 H new ATOM 0 HH12 ARG A 70 -6.106 2.423 -18.502 1.00 71.43 H new ATOM 0 HH21 ARG A 70 -7.153 5.509 -19.879 1.00 13.20 H new ATOM 0 HH22 ARG A 70 -6.305 3.990 -20.189 1.00 13.20 H new ATOM 995 N LYS A 71 -5.505 5.844 -11.576 1.00 33.42 N ATOM 996 CA LYS A 71 -6.192 6.633 -10.556 1.00 44.55 C ATOM 997 C LYS A 71 -5.277 7.761 -10.081 1.00 30.22 C ATOM 998 O LYS A 71 -5.691 8.916 -9.993 1.00 70.34 O ATOM 999 CB LYS A 71 -6.689 5.720 -9.420 1.00 41.34 C ATOM 1000 CG LYS A 71 -7.741 6.433 -8.552 1.00 63.12 C ATOM 1001 CD LYS A 71 -8.212 5.591 -7.355 1.00 5.54 C ATOM 1002 CE LYS A 71 -9.105 4.391 -7.703 1.00 62.45 C ATOM 1003 NZ LYS A 71 -10.542 4.727 -7.754 1.00 70.32 N ATOM 0 H LYS A 71 -5.338 4.872 -11.314 1.00 33.42 H new ATOM 0 HA LYS A 71 -7.082 7.104 -10.974 1.00 44.55 H new ATOM 0 HB2 LYS A 71 -7.118 4.811 -9.842 1.00 41.34 H new ATOM 0 HB3 LYS A 71 -5.846 5.417 -8.799 1.00 41.34 H new ATOM 0 HG2 LYS A 71 -7.325 7.372 -8.186 1.00 63.12 H new ATOM 0 HG3 LYS A 71 -8.602 6.686 -9.171 1.00 63.12 H new ATOM 0 HD2 LYS A 71 -7.334 5.226 -6.822 1.00 5.54 H new ATOM 0 HD3 LYS A 71 -8.756 6.240 -6.668 1.00 5.54 H new ATOM 0 HE2 LYS A 71 -8.799 3.987 -8.668 1.00 62.45 H new ATOM 0 HE3 LYS A 71 -8.949 3.605 -6.964 1.00 62.45 H new ATOM 0 HZ1 LYS A 71 -11.089 3.876 -7.993 1.00 70.32 H new ATOM 0 HZ2 LYS A 71 -10.848 5.086 -6.827 1.00 70.32 H new ATOM 0 HZ3 LYS A 71 -10.702 5.456 -8.478 1.00 70.32 H new ATOM 1013 N LEU A 72 -4.009 7.441 -9.822 1.00 33.11 N ATOM 1014 CA LEU A 72 -3.004 8.419 -9.419 1.00 3.50 C ATOM 1015 C LEU A 72 -2.600 9.313 -10.592 1.00 21.30 C ATOM 1016 O LEU A 72 -2.351 10.500 -10.386 1.00 41.31 O ATOM 1017 CB LEU A 72 -1.774 7.680 -8.869 1.00 74.21 C ATOM 1018 CG LEU A 72 -1.826 7.299 -7.376 1.00 44.12 C ATOM 1019 CD1 LEU A 72 -1.451 8.523 -6.534 1.00 51.13 C ATOM 1020 CD2 LEU A 72 -3.155 6.696 -6.899 1.00 43.54 C ATOM 0 H LEU A 72 -3.650 6.488 -9.887 1.00 33.11 H new ATOM 0 HA LEU A 72 -3.428 9.059 -8.645 1.00 3.50 H new ATOM 0 HB2 LEU A 72 -1.632 6.770 -9.451 1.00 74.21 H new ATOM 0 HB3 LEU A 72 -0.896 8.304 -9.034 1.00 74.21 H new ATOM 0 HG LEU A 72 -1.103 6.494 -7.243 1.00 44.12 H new ATOM 0 HD11 LEU A 72 -1.486 8.262 -5.476 1.00 51.13 H new ATOM 0 HD12 LEU A 72 -0.444 8.849 -6.794 1.00 51.13 H new ATOM 0 HD13 LEU A 72 -2.156 9.330 -6.731 1.00 51.13 H new ATOM 0 HD21 LEU A 72 -3.088 6.463 -5.836 1.00 43.54 H new ATOM 0 HD22 LEU A 72 -3.960 7.413 -7.063 1.00 43.54 H new ATOM 0 HD23 LEU A 72 -3.362 5.784 -7.458 1.00 43.54 H new ATOM 1031 N ALA A 73 -2.495 8.771 -11.809 1.00 30.04 N ATOM 1032 CA ALA A 73 -2.120 9.529 -12.999 1.00 31.22 C ATOM 1033 C ALA A 73 -3.134 10.630 -13.298 1.00 22.11 C ATOM 1034 O ALA A 73 -2.731 11.705 -13.730 1.00 12.32 O ATOM 1035 CB ALA A 73 -1.980 8.592 -14.204 1.00 51.23 C ATOM 0 H ALA A 73 -2.670 7.783 -11.994 1.00 30.04 H new ATOM 0 HA ALA A 73 -1.158 10.003 -12.806 1.00 31.22 H new ATOM 0 HB1 ALA A 73 -1.700 9.171 -15.084 1.00 51.23 H new ATOM 0 HB2 ALA A 73 -1.210 7.848 -13.999 1.00 51.23 H new ATOM 0 HB3 ALA A 73 -2.930 8.090 -14.387 1.00 51.23 H new ATOM 1041 N ALA A 74 -4.425 10.378 -13.045 1.00 13.33 N ATOM 1042 CA ALA A 74 -5.447 11.409 -13.187 1.00 50.21 C ATOM 1043 C ALA A 74 -5.200 12.584 -12.229 1.00 70.31 C ATOM 1044 O ALA A 74 -5.456 13.743 -12.560 1.00 30.50 O ATOM 1045 CB ALA A 74 -6.829 10.798 -12.931 1.00 11.50 C ATOM 0 H ALA A 74 -4.780 9.471 -12.742 1.00 13.33 H new ATOM 0 HA ALA A 74 -5.401 11.799 -14.204 1.00 50.21 H new ATOM 0 HB1 ALA A 74 -7.593 11.568 -13.037 1.00 11.50 H new ATOM 0 HB2 ALA A 74 -7.014 10.002 -13.652 1.00 11.50 H new ATOM 0 HB3 ALA A 74 -6.864 10.389 -11.921 1.00 11.50 H new ATOM 1051 N ASP A 75 -4.727 12.296 -11.017 1.00 52.23 N ATOM 1052 CA ASP A 75 -4.547 13.300 -9.976 1.00 4.12 C ATOM 1053 C ASP A 75 -3.371 14.199 -10.317 1.00 24.13 C ATOM 1054 O ASP A 75 -3.529 15.415 -10.463 1.00 42.32 O ATOM 1055 CB ASP A 75 -4.365 12.653 -8.591 1.00 22.10 C ATOM 1056 CG ASP A 75 -5.543 12.982 -7.686 1.00 30.04 C ATOM 1057 OD1 ASP A 75 -6.711 12.898 -8.134 1.00 22.31 O ATOM 1058 OD2 ASP A 75 -5.306 13.266 -6.495 1.00 32.24 O ATOM 0 H ASP A 75 -4.458 11.355 -10.731 1.00 52.23 H new ATOM 0 HA ASP A 75 -5.451 13.908 -9.930 1.00 4.12 H new ATOM 0 HB2 ASP A 75 -4.273 11.572 -8.698 1.00 22.10 H new ATOM 0 HB3 ASP A 75 -3.440 13.008 -8.137 1.00 22.10 H new ATOM 1062 N LEU A 76 -2.190 13.595 -10.449 1.00 74.35 N ATOM 1063 CA LEU A 76 -0.943 14.272 -10.744 1.00 61.24 C ATOM 1064 C LEU A 76 -0.742 14.445 -12.251 1.00 1.01 C ATOM 1065 O LEU A 76 0.408 14.466 -12.693 1.00 44.31 O ATOM 1066 CB LEU A 76 0.226 13.480 -10.141 1.00 25.43 C ATOM 1067 CG LEU A 76 0.257 13.313 -8.618 1.00 12.03 C ATOM 1068 CD1 LEU A 76 -0.354 14.456 -7.802 1.00 61.55 C ATOM 1069 CD2 LEU A 76 -0.341 11.986 -8.175 1.00 62.52 C ATOM 0 H LEU A 76 -2.080 12.586 -10.349 1.00 74.35 H new ATOM 0 HA LEU A 76 -0.980 15.267 -10.300 1.00 61.24 H new ATOM 0 HB2 LEU A 76 0.225 12.486 -10.588 1.00 25.43 H new ATOM 0 HB3 LEU A 76 1.153 13.965 -10.445 1.00 25.43 H new ATOM 0 HG LEU A 76 1.324 13.335 -8.395 1.00 12.03 H new ATOM 0 HD11 LEU A 76 -0.275 14.227 -6.739 1.00 61.55 H new ATOM 0 HD12 LEU A 76 0.181 15.381 -8.015 1.00 61.55 H new ATOM 0 HD13 LEU A 76 -1.404 14.574 -8.071 1.00 61.55 H new ATOM 0 HD21 LEU A 76 -0.297 11.912 -7.088 1.00 62.52 H new ATOM 0 HD22 LEU A 76 -1.379 11.928 -8.501 1.00 62.52 H new ATOM 0 HD23 LEU A 76 0.225 11.166 -8.617 1.00 62.52 H new ATOM 1080 N GLU A 77 -1.808 14.558 -13.045 1.00 74.41 N ATOM 1081 CA GLU A 77 -1.681 14.896 -14.450 1.00 24.30 C ATOM 1082 C GLU A 77 -0.933 16.228 -14.513 1.00 44.14 C ATOM 1083 O GLU A 77 -1.364 17.220 -13.923 1.00 11.33 O ATOM 1084 CB GLU A 77 -3.042 14.968 -15.164 1.00 61.22 C ATOM 1085 CG GLU A 77 -2.780 15.072 -16.677 1.00 71.44 C ATOM 1086 CD GLU A 77 -4.013 15.398 -17.516 1.00 25.44 C ATOM 1087 OE1 GLU A 77 -4.647 16.453 -17.296 1.00 32.50 O ATOM 1088 OE2 GLU A 77 -4.211 14.715 -18.552 1.00 44.45 O ATOM 0 H GLU A 77 -2.768 14.419 -12.731 1.00 74.41 H new ATOM 0 HA GLU A 77 -1.131 14.116 -14.977 1.00 24.30 H new ATOM 0 HB2 GLU A 77 -3.637 14.083 -14.940 1.00 61.22 H new ATOM 0 HB3 GLU A 77 -3.610 15.830 -14.815 1.00 61.22 H new ATOM 0 HG2 GLU A 77 -2.026 15.840 -16.850 1.00 71.44 H new ATOM 0 HG3 GLU A 77 -2.359 14.129 -17.025 1.00 71.44 H new ATOM 1093 N GLY A 78 0.221 16.224 -15.166 1.00 74.15 N ATOM 1094 CA GLY A 78 1.112 17.360 -15.309 1.00 73.32 C ATOM 1095 C GLY A 78 2.104 17.518 -14.161 1.00 2.00 C ATOM 1096 O GLY A 78 2.945 18.414 -14.243 1.00 3.34 O ATOM 0 H GLY A 78 0.575 15.388 -15.631 1.00 74.15 H new ATOM 0 HA2 GLY A 78 1.665 17.260 -16.243 1.00 73.32 H new ATOM 0 HA3 GLY A 78 0.516 18.269 -15.388 1.00 73.32 H new ATOM 1100 N LYS A 79 2.039 16.705 -13.102 1.00 53.01 N ATOM 1101 CA LYS A 79 2.924 16.809 -11.948 1.00 51.35 C ATOM 1102 C LYS A 79 3.790 15.570 -11.748 1.00 24.11 C ATOM 1103 O LYS A 79 4.929 15.734 -11.299 1.00 41.12 O ATOM 1104 CB LYS A 79 2.112 17.133 -10.695 1.00 73.34 C ATOM 1105 CG LYS A 79 1.179 18.346 -10.890 1.00 41.05 C ATOM 1106 CD LYS A 79 1.358 19.344 -9.755 1.00 24.34 C ATOM 1107 CE LYS A 79 0.153 20.266 -9.574 1.00 72.24 C ATOM 1108 NZ LYS A 79 -0.118 21.134 -10.742 1.00 62.33 N ATOM 0 H LYS A 79 1.360 15.948 -13.026 1.00 53.01 H new ATOM 0 HA LYS A 79 3.618 17.627 -12.142 1.00 51.35 H new ATOM 0 HB2 LYS A 79 1.517 16.263 -10.417 1.00 73.34 H new ATOM 0 HB3 LYS A 79 2.792 17.332 -9.867 1.00 73.34 H new ATOM 0 HG2 LYS A 79 1.394 18.828 -11.844 1.00 41.05 H new ATOM 0 HG3 LYS A 79 0.142 18.012 -10.929 1.00 41.05 H new ATOM 0 HD2 LYS A 79 1.536 18.802 -8.826 1.00 24.34 H new ATOM 0 HD3 LYS A 79 2.245 19.948 -9.946 1.00 24.34 H new ATOM 0 HE2 LYS A 79 -0.730 19.659 -9.372 1.00 72.24 H new ATOM 0 HE3 LYS A 79 0.316 20.893 -8.697 1.00 72.24 H new ATOM 0 HZ1 LYS A 79 -0.948 21.730 -10.547 1.00 62.33 H new ATOM 0 HZ2 LYS A 79 0.708 21.739 -10.924 1.00 62.33 H new ATOM 0 HZ3 LYS A 79 -0.305 20.543 -11.577 1.00 62.33 H new ATOM 1118 N ALA A 80 3.297 14.360 -12.040 1.00 25.31 N ATOM 1119 CA ALA A 80 4.104 13.147 -12.079 1.00 10.21 C ATOM 1120 C ALA A 80 3.704 12.321 -13.296 1.00 1.44 C ATOM 1121 O ALA A 80 2.589 11.810 -13.356 1.00 65.32 O ATOM 1122 CB ALA A 80 3.939 12.339 -10.792 1.00 30.20 C ATOM 0 H ALA A 80 2.313 14.200 -12.258 1.00 25.31 H new ATOM 0 HA ALA A 80 5.157 13.418 -12.159 1.00 10.21 H new ATOM 0 HB1 ALA A 80 4.551 11.439 -10.846 1.00 30.20 H new ATOM 0 HB2 ALA A 80 4.255 12.942 -9.941 1.00 30.20 H new ATOM 0 HB3 ALA A 80 2.893 12.059 -10.670 1.00 30.20 H new ATOM 1128 N ASP A 81 4.601 12.243 -14.279 1.00 50.24 N ATOM 1129 CA ASP A 81 4.422 11.451 -15.496 1.00 62.52 C ATOM 1130 C ASP A 81 4.587 9.963 -15.177 1.00 64.53 C ATOM 1131 O ASP A 81 5.126 9.608 -14.124 1.00 21.44 O ATOM 1132 CB ASP A 81 5.476 11.812 -16.556 1.00 65.35 C ATOM 1133 CG ASP A 81 5.527 13.289 -16.913 1.00 50.02 C ATOM 1134 OD1 ASP A 81 6.064 14.078 -16.107 1.00 2.24 O ATOM 1135 OD2 ASP A 81 5.026 13.709 -17.977 1.00 31.40 O ATOM 0 H ASP A 81 5.492 12.739 -14.251 1.00 50.24 H new ATOM 0 HA ASP A 81 3.424 11.665 -15.879 1.00 62.52 H new ATOM 0 HB2 ASP A 81 6.457 11.504 -16.195 1.00 65.35 H new ATOM 0 HB3 ASP A 81 5.275 11.239 -17.461 1.00 65.35 H new ATOM 1139 N GLU A 82 4.212 9.096 -16.125 1.00 33.43 N ATOM 1140 CA GLU A 82 4.339 7.646 -16.035 1.00 21.34 C ATOM 1141 C GLU A 82 5.716 7.233 -15.533 1.00 43.05 C ATOM 1142 O GLU A 82 5.779 6.451 -14.592 1.00 61.21 O ATOM 1143 CB GLU A 82 3.965 6.965 -17.366 1.00 34.53 C ATOM 1144 CG GLU A 82 4.359 5.475 -17.422 1.00 64.33 C ATOM 1145 CD GLU A 82 3.471 4.652 -18.359 1.00 43.32 C ATOM 1146 OE1 GLU A 82 3.264 5.047 -19.532 1.00 3.13 O ATOM 1147 OE2 GLU A 82 2.976 3.593 -17.916 1.00 23.23 O ATOM 0 H GLU A 82 3.797 9.401 -17.006 1.00 33.43 H new ATOM 0 HA GLU A 82 3.623 7.295 -15.292 1.00 21.34 H new ATOM 0 HB2 GLU A 82 2.890 7.055 -17.523 1.00 34.53 H new ATOM 0 HB3 GLU A 82 4.452 7.493 -18.186 1.00 34.53 H new ATOM 0 HG2 GLU A 82 5.396 5.392 -17.748 1.00 64.33 H new ATOM 0 HG3 GLU A 82 4.306 5.054 -16.418 1.00 64.33 H new ATOM 1152 N GLU A 83 6.791 7.799 -16.082 1.00 24.33 N ATOM 1153 CA GLU A 83 8.159 7.452 -15.711 1.00 3.20 C ATOM 1154 C GLU A 83 8.417 7.519 -14.199 1.00 24.54 C ATOM 1155 O GLU A 83 9.203 6.725 -13.671 1.00 42.01 O ATOM 1156 CB GLU A 83 9.112 8.380 -16.471 1.00 50.34 C ATOM 1157 CG GLU A 83 10.583 8.128 -16.116 1.00 3.41 C ATOM 1158 CD GLU A 83 11.514 8.365 -17.298 1.00 43.11 C ATOM 1159 OE1 GLU A 83 11.427 7.595 -18.280 1.00 73.32 O ATOM 1160 OE2 GLU A 83 12.379 9.267 -17.222 1.00 13.30 O ATOM 0 H GLU A 83 6.734 8.518 -16.803 1.00 24.33 H new ATOM 0 HA GLU A 83 8.332 6.412 -15.986 1.00 3.20 H new ATOM 0 HB2 GLU A 83 8.971 8.242 -17.543 1.00 50.34 H new ATOM 0 HB3 GLU A 83 8.860 9.417 -16.248 1.00 50.34 H new ATOM 0 HG2 GLU A 83 10.872 8.781 -15.292 1.00 3.41 H new ATOM 0 HG3 GLU A 83 10.699 7.102 -15.766 1.00 3.41 H new ATOM 1165 N THR A 84 7.753 8.441 -13.510 1.00 61.53 N ATOM 1166 CA THR A 84 7.864 8.664 -12.082 1.00 42.35 C ATOM 1167 C THR A 84 6.841 7.817 -11.326 1.00 30.50 C ATOM 1168 O THR A 84 7.164 7.242 -10.283 1.00 32.11 O ATOM 1169 CB THR A 84 7.615 10.165 -11.848 1.00 45.23 C ATOM 1170 OG1 THR A 84 8.476 10.934 -12.670 1.00 1.34 O ATOM 1171 CG2 THR A 84 7.826 10.544 -10.389 1.00 54.05 C ATOM 0 H THR A 84 7.094 9.079 -13.956 1.00 61.53 H new ATOM 0 HA THR A 84 8.849 8.374 -11.715 1.00 42.35 H new ATOM 0 HB THR A 84 6.577 10.375 -12.107 1.00 45.23 H new ATOM 0 HG1 THR A 84 8.310 11.887 -12.516 1.00 1.34 H new ATOM 0 HG21 THR A 84 7.642 11.611 -10.260 1.00 54.05 H new ATOM 0 HG22 THR A 84 7.136 9.978 -9.763 1.00 54.05 H new ATOM 0 HG23 THR A 84 8.851 10.315 -10.098 1.00 54.05 H new ATOM 1179 N ILE A 85 5.611 7.713 -11.838 1.00 33.42 N ATOM 1180 CA ILE A 85 4.569 6.895 -11.237 1.00 11.21 C ATOM 1181 C ILE A 85 5.094 5.467 -11.161 1.00 44.21 C ATOM 1182 O ILE A 85 5.264 4.925 -10.071 1.00 10.32 O ATOM 1183 CB ILE A 85 3.278 6.943 -12.063 1.00 24.50 C ATOM 1184 CG1 ILE A 85 2.756 8.391 -12.150 1.00 34.20 C ATOM 1185 CG2 ILE A 85 2.174 6.031 -11.466 1.00 71.02 C ATOM 1186 CD1 ILE A 85 1.626 8.540 -13.180 1.00 74.21 C ATOM 0 H ILE A 85 5.315 8.198 -12.685 1.00 33.42 H new ATOM 0 HA ILE A 85 4.328 7.274 -10.244 1.00 11.21 H new ATOM 0 HB ILE A 85 3.518 6.575 -13.061 1.00 24.50 H new ATOM 0 HG12 ILE A 85 2.396 8.705 -11.170 1.00 34.20 H new ATOM 0 HG13 ILE A 85 3.578 9.056 -12.416 1.00 34.20 H new ATOM 0 HG21 ILE A 85 1.277 6.095 -12.082 1.00 71.02 H new ATOM 0 HG22 ILE A 85 2.526 5.000 -11.444 1.00 71.02 H new ATOM 0 HG23 ILE A 85 1.942 6.357 -10.452 1.00 71.02 H new ATOM 0 HD11 ILE A 85 1.291 9.577 -13.205 1.00 74.21 H new ATOM 0 HD12 ILE A 85 1.992 8.253 -14.166 1.00 74.21 H new ATOM 0 HD13 ILE A 85 0.792 7.896 -12.901 1.00 74.21 H new ATOM 1197 N ARG A 86 5.358 4.872 -12.325 1.00 64.22 N ATOM 1198 CA ARG A 86 5.828 3.510 -12.504 1.00 72.33 C ATOM 1199 C ARG A 86 7.161 3.280 -11.807 1.00 11.21 C ATOM 1200 O ARG A 86 7.441 2.125 -11.522 1.00 3.11 O ATOM 1201 CB ARG A 86 5.846 3.167 -14.011 1.00 53.35 C ATOM 1202 CG ARG A 86 4.577 2.450 -14.479 1.00 50.11 C ATOM 1203 CD ARG A 86 4.505 0.991 -14.013 1.00 1.14 C ATOM 1204 NE ARG A 86 4.788 0.049 -15.098 1.00 61.05 N ATOM 1205 CZ ARG A 86 5.972 -0.483 -15.418 1.00 11.10 C ATOM 1206 NH1 ARG A 86 7.102 -0.122 -14.815 1.00 23.02 N ATOM 1207 NH2 ARG A 86 6.023 -1.404 -16.366 1.00 30.21 N ATOM 0 H ARG A 86 5.241 5.360 -13.213 1.00 64.22 H new ATOM 0 HA ARG A 86 5.137 2.818 -12.022 1.00 72.33 H new ATOM 0 HB2 ARG A 86 5.970 4.085 -14.585 1.00 53.35 H new ATOM 0 HB3 ARG A 86 6.711 2.539 -14.224 1.00 53.35 H new ATOM 0 HG2 ARG A 86 3.705 2.988 -14.107 1.00 50.11 H new ATOM 0 HG3 ARG A 86 4.530 2.480 -15.568 1.00 50.11 H new ATOM 0 HD2 ARG A 86 5.218 0.834 -13.203 1.00 1.14 H new ATOM 0 HD3 ARG A 86 3.513 0.789 -13.608 1.00 1.14 H new ATOM 0 HE ARG A 86 3.994 -0.232 -15.673 1.00 61.05 H new ATOM 0 HH11 ARG A 86 7.084 0.585 -14.080 1.00 23.02 H new ATOM 0 HH12 ARG A 86 7.986 -0.552 -15.088 1.00 23.02 H new ATOM 0 HH21 ARG A 86 5.168 -1.697 -16.839 1.00 30.21 H new ATOM 0 HH22 ARG A 86 6.917 -1.821 -16.624 1.00 30.21 H new ATOM 1218 N ALA A 87 7.903 4.327 -11.439 1.00 5.13 N ATOM 1219 CA ALA A 87 9.036 4.190 -10.527 1.00 51.05 C ATOM 1220 C ALA A 87 8.562 4.000 -9.077 1.00 22.34 C ATOM 1221 O ALA A 87 8.681 2.922 -8.499 1.00 64.22 O ATOM 1222 CB ALA A 87 9.996 5.375 -10.663 1.00 1.20 C ATOM 0 H ALA A 87 7.737 5.281 -11.761 1.00 5.13 H new ATOM 0 HA ALA A 87 9.588 3.292 -10.805 1.00 51.05 H new ATOM 0 HB1 ALA A 87 10.830 5.248 -9.973 1.00 1.20 H new ATOM 0 HB2 ALA A 87 10.373 5.422 -11.684 1.00 1.20 H new ATOM 0 HB3 ALA A 87 9.468 6.299 -10.428 1.00 1.20 H new ATOM 1228 N LYS A 88 7.997 5.040 -8.457 1.00 62.51 N ATOM 1229 CA LYS A 88 7.620 5.041 -7.033 1.00 12.24 C ATOM 1230 C LYS A 88 6.642 3.919 -6.702 1.00 24.34 C ATOM 1231 O LYS A 88 6.636 3.404 -5.584 1.00 10.41 O ATOM 1232 CB LYS A 88 6.994 6.386 -6.628 1.00 74.13 C ATOM 1233 CG LYS A 88 7.978 7.571 -6.650 1.00 22.53 C ATOM 1234 CD LYS A 88 9.147 7.541 -5.643 1.00 52.03 C ATOM 1235 CE LYS A 88 10.492 7.215 -6.318 1.00 23.20 C ATOM 1236 NZ LYS A 88 11.651 7.676 -5.522 1.00 61.13 N ATOM 0 H LYS A 88 7.784 5.917 -8.932 1.00 62.51 H new ATOM 0 HA LYS A 88 8.539 4.881 -6.469 1.00 12.24 H new ATOM 0 HB2 LYS A 88 6.164 6.605 -7.300 1.00 74.13 H new ATOM 0 HB3 LYS A 88 6.577 6.293 -5.625 1.00 74.13 H new ATOM 0 HG2 LYS A 88 8.399 7.641 -7.653 1.00 22.53 H new ATOM 0 HG3 LYS A 88 7.409 8.485 -6.479 1.00 22.53 H new ATOM 0 HD2 LYS A 88 9.218 8.507 -5.144 1.00 52.03 H new ATOM 0 HD3 LYS A 88 8.941 6.799 -4.872 1.00 52.03 H new ATOM 0 HE2 LYS A 88 10.566 6.139 -6.472 1.00 23.20 H new ATOM 0 HE3 LYS A 88 10.523 7.681 -7.303 1.00 23.20 H new ATOM 0 HZ1 LYS A 88 12.532 7.433 -6.019 1.00 61.13 H new ATOM 0 HZ2 LYS A 88 11.598 8.707 -5.396 1.00 61.13 H new ATOM 0 HZ3 LYS A 88 11.639 7.212 -4.591 1.00 61.13 H new ATOM 1246 N MET A 89 5.788 3.528 -7.651 1.00 65.12 N ATOM 1247 CA MET A 89 4.846 2.453 -7.446 1.00 62.04 C ATOM 1248 C MET A 89 5.633 1.166 -7.118 1.00 13.31 C ATOM 1249 O MET A 89 5.300 0.489 -6.140 1.00 31.10 O ATOM 1250 CB MET A 89 3.882 2.351 -8.653 1.00 1.13 C ATOM 1251 CG MET A 89 4.282 1.319 -9.717 1.00 32.00 C ATOM 1252 SD MET A 89 3.021 0.838 -10.909 1.00 23.41 S ATOM 1253 CE MET A 89 2.385 2.423 -11.497 1.00 23.44 C ATOM 0 H MET A 89 5.739 3.954 -8.577 1.00 65.12 H new ATOM 0 HA MET A 89 4.196 2.640 -6.591 1.00 62.04 H new ATOM 0 HB2 MET A 89 2.887 2.103 -8.284 1.00 1.13 H new ATOM 0 HB3 MET A 89 3.812 3.330 -9.126 1.00 1.13 H new ATOM 0 HG2 MET A 89 5.135 1.715 -10.268 1.00 32.00 H new ATOM 0 HG3 MET A 89 4.623 0.420 -9.204 1.00 32.00 H new ATOM 0 HE1 MET A 89 2.175 2.357 -12.565 1.00 23.44 H new ATOM 0 HE2 MET A 89 1.468 2.668 -10.961 1.00 23.44 H new ATOM 0 HE3 MET A 89 3.128 3.201 -11.320 1.00 23.44 H new ATOM 1261 N VAL A 90 6.676 0.848 -7.894 1.00 23.44 N ATOM 1262 CA VAL A 90 7.545 -0.316 -7.734 1.00 70.33 C ATOM 1263 C VAL A 90 8.289 -0.184 -6.407 1.00 72.01 C ATOM 1264 O VAL A 90 8.297 -1.105 -5.587 1.00 54.43 O ATOM 1265 CB VAL A 90 8.518 -0.380 -8.938 1.00 1.11 C ATOM 1266 CG1 VAL A 90 9.599 -1.461 -8.776 1.00 4.40 C ATOM 1267 CG2 VAL A 90 7.770 -0.658 -10.248 1.00 31.30 C ATOM 0 H VAL A 90 6.947 1.427 -8.689 1.00 23.44 H new ATOM 0 HA VAL A 90 6.972 -1.243 -7.715 1.00 70.33 H new ATOM 0 HB VAL A 90 8.997 0.599 -8.971 1.00 1.11 H new ATOM 0 HG11 VAL A 90 10.250 -1.458 -9.650 1.00 4.40 H new ATOM 0 HG12 VAL A 90 10.189 -1.255 -7.883 1.00 4.40 H new ATOM 0 HG13 VAL A 90 9.125 -2.438 -8.680 1.00 4.40 H new ATOM 0 HG21 VAL A 90 8.482 -0.697 -11.072 1.00 31.30 H new ATOM 0 HG22 VAL A 90 7.249 -1.612 -10.174 1.00 31.30 H new ATOM 0 HG23 VAL A 90 7.047 0.137 -10.430 1.00 31.30 H new ATOM 1277 N GLU A 91 8.851 0.997 -6.157 1.00 72.05 N ATOM 1278 CA GLU A 91 9.693 1.292 -5.006 1.00 72.15 C ATOM 1279 C GLU A 91 8.948 1.200 -3.664 1.00 53.52 C ATOM 1280 O GLU A 91 9.553 1.228 -2.591 1.00 24.31 O ATOM 1281 CB GLU A 91 10.313 2.672 -5.233 1.00 74.45 C ATOM 1282 CG GLU A 91 11.587 2.816 -4.403 1.00 63.13 C ATOM 1283 CD GLU A 91 12.394 4.057 -4.752 1.00 1.34 C ATOM 1284 OE1 GLU A 91 12.422 4.473 -5.930 1.00 50.31 O ATOM 1285 OE2 GLU A 91 13.058 4.587 -3.834 1.00 33.51 O ATOM 0 H GLU A 91 8.727 1.800 -6.773 1.00 72.05 H new ATOM 0 HA GLU A 91 10.472 0.534 -4.928 1.00 72.15 H new ATOM 0 HB2 GLU A 91 10.541 2.808 -6.290 1.00 74.45 H new ATOM 0 HB3 GLU A 91 9.600 3.450 -4.958 1.00 74.45 H new ATOM 0 HG2 GLU A 91 11.322 2.848 -3.346 1.00 63.13 H new ATOM 0 HG3 GLU A 91 12.209 1.933 -4.549 1.00 63.13 H new ATOM 1290 N LEU A 92 7.626 1.024 -3.689 1.00 73.25 N ATOM 1291 CA LEU A 92 6.801 0.841 -2.502 1.00 73.11 C ATOM 1292 C LEU A 92 6.110 -0.515 -2.490 1.00 54.14 C ATOM 1293 O LEU A 92 5.500 -0.882 -1.492 1.00 65.04 O ATOM 1294 CB LEU A 92 5.804 1.999 -2.421 1.00 50.41 C ATOM 1295 CG LEU A 92 6.494 3.344 -2.069 1.00 34.41 C ATOM 1296 CD1 LEU A 92 5.481 4.493 -2.061 1.00 12.11 C ATOM 1297 CD2 LEU A 92 7.239 3.316 -0.726 1.00 64.32 C ATOM 0 H LEU A 92 7.090 1.005 -4.557 1.00 73.25 H new ATOM 0 HA LEU A 92 7.435 0.851 -1.616 1.00 73.11 H new ATOM 0 HB2 LEU A 92 5.286 2.097 -3.375 1.00 50.41 H new ATOM 0 HB3 LEU A 92 5.048 1.773 -1.669 1.00 50.41 H new ATOM 0 HG LEU A 92 7.237 3.505 -2.850 1.00 34.41 H new ATOM 0 HD11 LEU A 92 5.989 5.424 -1.812 1.00 12.11 H new ATOM 0 HD12 LEU A 92 5.024 4.582 -3.046 1.00 12.11 H new ATOM 0 HD13 LEU A 92 4.708 4.292 -1.319 1.00 12.11 H new ATOM 0 HD21 LEU A 92 7.697 4.288 -0.544 1.00 64.32 H new ATOM 0 HD22 LEU A 92 6.536 3.090 0.076 1.00 64.32 H new ATOM 0 HD23 LEU A 92 8.014 2.550 -0.756 1.00 64.32 H new ATOM 1308 N ARG A 93 6.202 -1.287 -3.571 1.00 33.01 N ATOM 1309 CA ARG A 93 5.618 -2.618 -3.675 1.00 44.21 C ATOM 1310 C ARG A 93 6.423 -3.573 -2.800 1.00 70.03 C ATOM 1311 O ARG A 93 5.898 -4.100 -1.814 1.00 61.42 O ATOM 1312 CB ARG A 93 5.604 -3.061 -5.154 1.00 13.31 C ATOM 1313 CG ARG A 93 4.200 -3.315 -5.701 1.00 73.32 C ATOM 1314 CD ARG A 93 3.491 -2.021 -6.110 1.00 63.13 C ATOM 1315 NE ARG A 93 2.133 -2.339 -6.587 1.00 52.13 N ATOM 1316 CZ ARG A 93 1.228 -1.505 -7.107 1.00 22.14 C ATOM 1317 NH1 ARG A 93 1.460 -0.197 -7.126 1.00 2.32 N ATOM 1318 NH2 ARG A 93 0.089 -1.989 -7.582 1.00 41.13 N ATOM 0 H ARG A 93 6.695 -0.997 -4.415 1.00 33.01 H new ATOM 0 HA ARG A 93 4.586 -2.618 -3.324 1.00 44.21 H new ATOM 0 HB2 ARG A 93 6.088 -2.294 -5.759 1.00 13.31 H new ATOM 0 HB3 ARG A 93 6.196 -3.970 -5.258 1.00 13.31 H new ATOM 0 HG2 ARG A 93 4.263 -3.980 -6.563 1.00 73.32 H new ATOM 0 HG3 ARG A 93 3.606 -3.829 -4.945 1.00 73.32 H new ATOM 0 HD2 ARG A 93 3.440 -1.337 -5.263 1.00 63.13 H new ATOM 0 HD3 ARG A 93 4.055 -1.516 -6.894 1.00 63.13 H new ATOM 0 HE ARG A 93 1.849 -3.316 -6.511 1.00 52.13 H new ATOM 0 HH11 ARG A 93 2.330 0.172 -6.743 1.00 2.32 H new ATOM 0 HH12 ARG A 93 0.768 0.438 -7.523 1.00 2.32 H new ATOM 0 HH21 ARG A 93 -0.092 -2.992 -7.549 1.00 41.13 H new ATOM 0 HH22 ARG A 93 -0.606 -1.358 -7.980 1.00 41.13 H new ATOM 1329 N ALA A 94 7.704 -3.760 -3.122 1.00 72.05 N ATOM 1330 CA ALA A 94 8.612 -4.630 -2.382 1.00 2.52 C ATOM 1331 C ALA A 94 8.740 -4.195 -0.919 1.00 24.11 C ATOM 1332 O ALA A 94 8.866 -5.012 -0.011 1.00 50.32 O ATOM 1333 CB ALA A 94 9.979 -4.580 -3.066 1.00 12.14 C ATOM 0 H ALA A 94 8.145 -3.302 -3.919 1.00 72.05 H new ATOM 0 HA ALA A 94 8.217 -5.646 -2.383 1.00 2.52 H new ATOM 0 HB1 ALA A 94 10.677 -5.223 -2.531 1.00 12.14 H new ATOM 0 HB2 ALA A 94 9.884 -4.925 -4.096 1.00 12.14 H new ATOM 0 HB3 ALA A 94 10.352 -3.556 -3.060 1.00 12.14 H new ATOM 1339 N THR A 95 8.694 -2.894 -0.695 1.00 45.55 N ATOM 1340 CA THR A 95 8.840 -2.250 0.597 1.00 53.12 C ATOM 1341 C THR A 95 7.621 -2.584 1.443 1.00 1.45 C ATOM 1342 O THR A 95 7.793 -3.158 2.511 1.00 61.33 O ATOM 1343 CB THR A 95 9.013 -0.737 0.403 1.00 24.44 C ATOM 1344 OG1 THR A 95 9.901 -0.541 -0.689 1.00 14.10 O ATOM 1345 CG2 THR A 95 9.599 -0.042 1.633 1.00 70.13 C ATOM 0 H THR A 95 8.546 -2.224 -1.449 1.00 45.55 H new ATOM 0 HA THR A 95 9.728 -2.612 1.115 1.00 53.12 H new ATOM 0 HB THR A 95 8.028 -0.305 0.225 1.00 24.44 H new ATOM 0 HG1 THR A 95 9.677 0.296 -1.147 1.00 14.10 H new ATOM 0 HG21 THR A 95 9.698 1.025 1.435 1.00 70.13 H new ATOM 0 HG22 THR A 95 8.938 -0.193 2.486 1.00 70.13 H new ATOM 0 HG23 THR A 95 10.580 -0.462 1.855 1.00 70.13 H new ATOM 1353 N ALA A 96 6.401 -2.300 0.959 1.00 72.22 N ATOM 1354 CA ALA A 96 5.170 -2.597 1.682 1.00 62.12 C ATOM 1355 C ALA A 96 5.051 -4.080 2.034 1.00 74.34 C ATOM 1356 O ALA A 96 4.411 -4.421 3.023 1.00 14.33 O ATOM 1357 CB ALA A 96 3.957 -2.186 0.855 1.00 5.43 C ATOM 0 H ALA A 96 6.248 -1.857 0.053 1.00 72.22 H new ATOM 0 HA ALA A 96 5.204 -2.026 2.610 1.00 62.12 H new ATOM 0 HB1 ALA A 96 3.046 -2.414 1.408 1.00 5.43 H new ATOM 0 HB2 ALA A 96 4.000 -1.116 0.652 1.00 5.43 H new ATOM 0 HB3 ALA A 96 3.956 -2.734 -0.087 1.00 5.43 H new ATOM 1363 N ARG A 97 5.622 -4.969 1.214 1.00 73.42 N ATOM 1364 CA ARG A 97 5.641 -6.387 1.461 1.00 33.24 C ATOM 1365 C ARG A 97 6.446 -6.660 2.727 1.00 41.50 C ATOM 1366 O ARG A 97 5.913 -7.265 3.646 1.00 73.40 O ATOM 1367 CB ARG A 97 6.168 -7.072 0.184 1.00 41.31 C ATOM 1368 CG ARG A 97 6.076 -8.590 0.331 1.00 23.13 C ATOM 1369 CD ARG A 97 6.946 -9.409 -0.629 1.00 44.44 C ATOM 1370 NE ARG A 97 8.270 -9.657 -0.051 1.00 24.03 N ATOM 1371 CZ ARG A 97 9.287 -10.321 -0.604 1.00 23.11 C ATOM 1372 NH1 ARG A 97 9.162 -10.903 -1.796 1.00 42.41 N ATOM 1373 NH2 ARG A 97 10.436 -10.401 0.054 1.00 31.14 N ATOM 0 H ARG A 97 6.089 -4.702 0.347 1.00 73.42 H new ATOM 0 HA ARG A 97 4.653 -6.804 1.657 1.00 33.24 H new ATOM 0 HB2 ARG A 97 5.588 -6.746 -0.679 1.00 41.31 H new ATOM 0 HB3 ARG A 97 7.202 -6.778 0.003 1.00 41.31 H new ATOM 0 HG2 ARG A 97 6.349 -8.854 1.353 1.00 23.13 H new ATOM 0 HG3 ARG A 97 5.037 -8.887 0.192 1.00 23.13 H new ATOM 0 HD2 ARG A 97 6.457 -10.358 -0.850 1.00 44.44 H new ATOM 0 HD3 ARG A 97 7.051 -8.877 -1.575 1.00 44.44 H new ATOM 0 HE ARG A 97 8.433 -9.278 0.882 1.00 24.03 H new ATOM 0 HH11 ARG A 97 8.278 -10.845 -2.302 1.00 42.41 H new ATOM 0 HH12 ARG A 97 9.950 -11.406 -2.203 1.00 42.41 H new ATOM 0 HH21 ARG A 97 10.532 -9.959 0.968 1.00 31.14 H new ATOM 0 HH22 ARG A 97 11.223 -10.905 -0.354 1.00 31.14 H new ATOM 1384 N GLU A 98 7.699 -6.229 2.798 1.00 44.11 N ATOM 1385 CA GLU A 98 8.519 -6.452 3.981 1.00 45.33 C ATOM 1386 C GLU A 98 7.943 -5.691 5.191 1.00 72.44 C ATOM 1387 O GLU A 98 7.840 -6.243 6.287 1.00 42.20 O ATOM 1388 CB GLU A 98 9.960 -6.045 3.641 1.00 61.23 C ATOM 1389 CG GLU A 98 10.894 -5.995 4.852 1.00 43.51 C ATOM 1390 CD GLU A 98 10.919 -7.243 5.732 1.00 54.32 C ATOM 1391 OE1 GLU A 98 10.665 -8.364 5.233 1.00 61.44 O ATOM 1392 OE2 GLU A 98 11.288 -7.098 6.921 1.00 65.24 O ATOM 0 H GLU A 98 8.170 -5.722 2.049 1.00 44.11 H new ATOM 0 HA GLU A 98 8.517 -7.504 4.268 1.00 45.33 H new ATOM 0 HB2 GLU A 98 10.363 -6.749 2.913 1.00 61.23 H new ATOM 0 HB3 GLU A 98 9.947 -5.065 3.164 1.00 61.23 H new ATOM 0 HG2 GLU A 98 11.907 -5.805 4.497 1.00 43.51 H new ATOM 0 HG3 GLU A 98 10.609 -5.144 5.471 1.00 43.51 H new ATOM 1397 N GLN A 99 7.546 -4.431 4.993 1.00 70.24 N ATOM 1398 CA GLN A 99 7.052 -3.507 6.002 1.00 3.31 C ATOM 1399 C GLN A 99 6.025 -4.120 6.943 1.00 53.21 C ATOM 1400 O GLN A 99 6.126 -3.890 8.140 1.00 44.23 O ATOM 1401 CB GLN A 99 6.443 -2.274 5.318 1.00 50.30 C ATOM 1402 CG GLN A 99 7.437 -1.128 5.215 1.00 44.12 C ATOM 1403 CD GLN A 99 6.763 0.181 4.840 1.00 32.01 C ATOM 1404 OE1 GLN A 99 5.646 0.188 4.335 1.00 1.55 O ATOM 1405 NE2 GLN A 99 7.435 1.288 5.089 1.00 41.34 N ATOM 0 H GLN A 99 7.564 -4.009 4.065 1.00 70.24 H new ATOM 0 HA GLN A 99 7.911 -3.231 6.613 1.00 3.31 H new ATOM 0 HB2 GLN A 99 6.099 -2.546 4.320 1.00 50.30 H new ATOM 0 HB3 GLN A 99 5.568 -1.945 5.878 1.00 50.30 H new ATOM 0 HG2 GLN A 99 7.953 -1.010 6.168 1.00 44.12 H new ATOM 0 HG3 GLN A 99 8.195 -1.372 4.470 1.00 44.12 H new ATOM 0 HE21 GLN A 99 8.362 1.238 5.511 1.00 41.34 H new ATOM 0 HE22 GLN A 99 7.027 2.195 4.860 1.00 41.34 H new ATOM 1412 N ILE A 100 5.082 -4.915 6.439 1.00 63.43 N ATOM 1413 CA ILE A 100 4.011 -5.552 7.202 1.00 62.31 C ATOM 1414 C ILE A 100 4.524 -6.243 8.467 1.00 10.51 C ATOM 1415 O ILE A 100 3.896 -6.090 9.515 1.00 43.34 O ATOM 1416 CB ILE A 100 3.291 -6.522 6.252 1.00 42.43 C ATOM 1417 CG1 ILE A 100 2.384 -5.765 5.251 1.00 74.04 C ATOM 1418 CG2 ILE A 100 2.492 -7.637 6.938 1.00 42.50 C ATOM 1419 CD1 ILE A 100 1.070 -5.230 5.853 1.00 61.43 C ATOM 0 H ILE A 100 5.042 -5.142 5.445 1.00 63.43 H new ATOM 0 HA ILE A 100 3.313 -4.799 7.567 1.00 62.31 H new ATOM 0 HB ILE A 100 4.101 -7.021 5.720 1.00 42.43 H new ATOM 0 HG12 ILE A 100 2.945 -4.928 4.834 1.00 74.04 H new ATOM 0 HG13 ILE A 100 2.144 -6.432 4.423 1.00 74.04 H new ATOM 0 HG21 ILE A 100 2.023 -8.266 6.182 1.00 42.50 H new ATOM 0 HG22 ILE A 100 3.162 -8.242 7.549 1.00 42.50 H new ATOM 0 HG23 ILE A 100 1.723 -7.196 7.572 1.00 42.50 H new ATOM 0 HD11 ILE A 100 0.499 -4.715 5.081 1.00 61.43 H new ATOM 0 HD12 ILE A 100 0.484 -6.062 6.243 1.00 61.43 H new ATOM 0 HD13 ILE A 100 1.297 -4.535 6.661 1.00 61.43 H new ATOM 1430 N ILE A 101 5.632 -6.984 8.394 1.00 30.33 N ATOM 1431 CA ILE A 101 6.191 -7.680 9.549 1.00 25.44 C ATOM 1432 C ILE A 101 6.707 -6.662 10.563 1.00 42.50 C ATOM 1433 O ILE A 101 6.694 -6.923 11.764 1.00 32.02 O ATOM 1434 CB ILE A 101 7.295 -8.661 9.098 1.00 24.25 C ATOM 1435 CG1 ILE A 101 6.684 -9.908 8.419 1.00 54.21 C ATOM 1436 CG2 ILE A 101 8.246 -9.068 10.237 1.00 3.13 C ATOM 1437 CD1 ILE A 101 6.280 -11.091 9.309 1.00 51.23 C ATOM 0 H ILE A 101 6.164 -7.117 7.534 1.00 30.33 H new ATOM 0 HA ILE A 101 5.414 -8.270 10.035 1.00 25.44 H new ATOM 0 HB ILE A 101 7.901 -8.124 8.368 1.00 24.25 H new ATOM 0 HG12 ILE A 101 5.800 -9.588 7.868 1.00 54.21 H new ATOM 0 HG13 ILE A 101 7.402 -10.273 7.685 1.00 54.21 H new ATOM 0 HG21 ILE A 101 8.998 -9.758 9.854 1.00 3.13 H new ATOM 0 HG22 ILE A 101 8.737 -8.180 10.635 1.00 3.13 H new ATOM 0 HG23 ILE A 101 7.677 -9.554 11.029 1.00 3.13 H new ATOM 0 HD11 ILE A 101 5.868 -11.888 8.690 1.00 51.23 H new ATOM 0 HD12 ILE A 101 7.156 -11.461 9.842 1.00 51.23 H new ATOM 0 HD13 ILE A 101 5.529 -10.765 10.028 1.00 51.23 H new ATOM 1448 N SER A 102 7.168 -5.511 10.088 1.00 21.44 N ATOM 1449 CA SER A 102 7.722 -4.470 10.936 1.00 70.13 C ATOM 1450 C SER A 102 6.618 -3.670 11.634 1.00 13.32 C ATOM 1451 O SER A 102 6.898 -3.004 12.635 1.00 51.31 O ATOM 1452 CB SER A 102 8.638 -3.567 10.108 1.00 45.10 C ATOM 1453 OG SER A 102 9.661 -3.031 10.927 1.00 70.40 O ATOM 0 H SER A 102 7.166 -5.275 9.096 1.00 21.44 H new ATOM 0 HA SER A 102 8.314 -4.936 11.724 1.00 70.13 H new ATOM 0 HB2 SER A 102 9.078 -4.135 9.288 1.00 45.10 H new ATOM 0 HB3 SER A 102 8.058 -2.759 9.661 1.00 45.10 H new ATOM 0 HG SER A 102 10.243 -2.456 10.388 1.00 70.40 H new ATOM 1458 N GLU A 103 5.379 -3.727 11.135 1.00 63.43 N ATOM 1459 CA GLU A 103 4.221 -3.148 11.811 1.00 43.22 C ATOM 1460 C GLU A 103 3.824 -4.001 13.015 1.00 23.12 C ATOM 1461 O GLU A 103 3.088 -3.516 13.877 1.00 42.54 O ATOM 1462 CB GLU A 103 2.999 -3.056 10.872 1.00 10.35 C ATOM 1463 CG GLU A 103 3.299 -2.605 9.447 1.00 44.12 C ATOM 1464 CD GLU A 103 3.946 -1.220 9.315 1.00 71.43 C ATOM 1465 OE1 GLU A 103 3.710 -0.328 10.162 1.00 31.31 O ATOM 1466 OE2 GLU A 103 4.613 -0.956 8.288 1.00 1.21 O ATOM 0 H GLU A 103 5.154 -4.178 10.248 1.00 63.43 H new ATOM 0 HA GLU A 103 4.510 -2.146 12.128 1.00 43.22 H new ATOM 0 HB2 GLU A 103 2.519 -4.034 10.832 1.00 10.35 H new ATOM 0 HB3 GLU A 103 2.278 -2.365 11.309 1.00 10.35 H new ATOM 0 HG2 GLU A 103 3.957 -3.340 8.983 1.00 44.12 H new ATOM 0 HG3 GLU A 103 2.368 -2.607 8.880 1.00 44.12 H new ATOM 1471 N ILE A 104 4.226 -5.281 13.048 1.00 21.13 N ATOM 1472 CA ILE A 104 3.923 -6.177 14.165 1.00 4.34 C ATOM 1473 C ILE A 104 4.748 -5.744 15.378 1.00 54.21 C ATOM 1474 O ILE A 104 4.177 -5.655 16.490 1.00 42.22 O ATOM 1475 CB ILE A 104 4.185 -7.656 13.801 1.00 74.40 C ATOM 1476 CG1 ILE A 104 3.639 -8.077 12.417 1.00 62.22 C ATOM 1477 CG2 ILE A 104 3.573 -8.573 14.870 1.00 30.15 C ATOM 1478 CD1 ILE A 104 4.184 -9.425 11.924 1.00 13.15 C ATOM 0 H ILE A 104 4.768 -5.719 12.303 1.00 21.13 H new ATOM 0 HA ILE A 104 2.862 -6.105 14.403 1.00 4.34 H new ATOM 0 HB ILE A 104 5.269 -7.759 13.758 1.00 74.40 H new ATOM 0 HG12 ILE A 104 2.551 -8.131 12.466 1.00 62.22 H new ATOM 0 HG13 ILE A 104 3.888 -7.306 11.688 1.00 62.22 H new ATOM 0 HG21 ILE A 104 3.761 -9.614 14.607 1.00 30.15 H new ATOM 0 HG22 ILE A 104 4.025 -8.356 15.838 1.00 30.15 H new ATOM 0 HG23 ILE A 104 2.498 -8.401 14.925 1.00 30.15 H new ATOM 0 HD11 ILE A 104 3.757 -9.655 10.948 1.00 13.15 H new ATOM 0 HD12 ILE A 104 5.270 -9.370 11.842 1.00 13.15 H new ATOM 0 HD13 ILE A 104 3.913 -10.208 12.632 1.00 13.15 H new