USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 808 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 LYS NZ :NH3+ -176:sc= 0.34 (180deg=0) USER MOD Set 1.2: A 114 GLN : amide:sc= -0.663 X(o=-0.32,f=-0.22) USER MOD Set 2.1: A 75 ASN : amide:sc= -0.817! X(o=1.2!,f=0.79) USER MOD Set 2.2: A 92 ASN : amide:sc= 1.11 X(o=1.2,f=0.79) USER MOD Set 2.3: A 93 SER OG : rot 180:sc= 0.922 USER MOD Set 3.1: A 33 SER OG : rot -152:sc= 1.02 USER MOD Set 3.2: A 37 GLN : amide:sc= -0.0121 K(o=1,f=-0.39) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= 1.23 (180deg=0.92) USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.15) USER MOD Single : A 31 ASN : amide:sc= 0.516 K(o=0.52,f=-4.2!) USER MOD Single : A 32 THR OG1 : rot -40:sc= 1.15 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 39 MET CE :methyl -143:sc= -1.87 (180deg=-3.99!) USER MOD Single : A 44 MET CE :methyl 139:sc= -0.41 (180deg=-2.74!) USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0661) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.268 USER MOD Single : A 52 SER OG : rot 41:sc= 0.471 USER MOD Single : A 54 SER OG : rot -135:sc= 0.0531 USER MOD Single : A 55 TYR OH : rot 61:sc= 0.39 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot -130:sc= -0.409 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 59 SER OG : rot -39:sc= 0.654 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= 0.35 (180deg=0.256) USER MOD Single : A 67 GLN : amide:sc= -0.591 K(o=-0.59,f=0) USER MOD Single : A 68 THR OG1 : rot 41:sc= 0.689 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 78:sc= 0.226 USER MOD Single : A 84 THR OG1 : rot -88:sc= 0.352 USER MOD Single : A 89 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0664) USER MOD Single : A 90 ASN : amide:sc= -1.09 X(o=-1.1,f=-0.79) USER MOD Single : A 91 GLN : amide:sc= -2.84! C(o=-2.8!,f=-4!) USER MOD Single : A 96 THR OG1 : rot -36:sc= 0.987 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.116 K(o=-0.12,f=-2.6!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 116 SER OG : rot 80:sc= 0.0557 USER MOD Single : A 117 THR OG1 : rot 175:sc= -1.2! USER MOD ----------------------------------------------------------------- ATOM 202 N ASN A 14 -9.220 -8.416 4.716 1.00 70.45 N ATOM 203 CA ASN A 14 -8.647 -7.311 5.498 1.00 10.41 C ATOM 204 C ASN A 14 -7.179 -7.060 5.115 1.00 25.22 C ATOM 205 O ASN A 14 -6.271 -7.721 5.623 1.00 2.02 O ATOM 206 CB ASN A 14 -8.759 -7.592 7.006 1.00 64.55 C ATOM 207 CG ASN A 14 -10.201 -7.723 7.470 1.00 62.44 C ATOM 208 OD1 ASN A 14 -10.847 -6.741 7.819 1.00 32.32 O ATOM 209 ND2 ASN A 14 -10.717 -8.936 7.487 1.00 64.03 N ATOM 0 HA ASN A 14 -9.220 -6.413 5.266 1.00 10.41 H new ATOM 0 HB2 ASN A 14 -8.220 -8.510 7.242 1.00 64.55 H new ATOM 0 HB3 ASN A 14 -8.275 -6.787 7.559 1.00 64.55 H new ATOM 0 HD21 ASN A 14 -11.679 -9.077 7.796 1.00 64.03 H new ATOM 0 HD22 ASN A 14 -10.155 -9.734 7.191 1.00 64.03 H new ATOM 216 N VAL A 15 -6.958 -6.122 4.193 1.00 40.54 N ATOM 217 CA VAL A 15 -5.603 -5.751 3.761 1.00 13.42 C ATOM 218 C VAL A 15 -5.213 -4.371 4.317 1.00 61.32 C ATOM 219 O VAL A 15 -5.685 -3.342 3.835 1.00 63.10 O ATOM 220 CB VAL A 15 -5.487 -5.732 2.213 1.00 41.55 C ATOM 221 CG1 VAL A 15 -4.059 -5.403 1.776 1.00 75.42 C ATOM 222 CG2 VAL A 15 -5.944 -7.063 1.618 1.00 22.43 C ATOM 0 H VAL A 15 -7.701 -5.601 3.727 1.00 40.54 H new ATOM 0 HA VAL A 15 -4.921 -6.506 4.153 1.00 13.42 H new ATOM 0 HB VAL A 15 -6.144 -4.948 1.835 1.00 41.55 H new ATOM 0 HG11 VAL A 15 -4.004 -5.396 0.687 1.00 75.42 H new ATOM 0 HG12 VAL A 15 -3.778 -4.422 2.160 1.00 75.42 H new ATOM 0 HG13 VAL A 15 -3.376 -6.156 2.169 1.00 75.42 H new ATOM 0 HG21 VAL A 15 -5.854 -7.026 0.532 1.00 22.43 H new ATOM 0 HG22 VAL A 15 -5.321 -7.868 2.007 1.00 22.43 H new ATOM 0 HG23 VAL A 15 -6.984 -7.245 1.890 1.00 22.43 H new ATOM 232 N CYS A 16 -4.356 -4.357 5.336 1.00 43.54 N ATOM 233 CA CYS A 16 -3.949 -3.105 5.999 1.00 1.03 C ATOM 234 C CYS A 16 -2.437 -2.872 5.891 1.00 53.13 C ATOM 235 O CYS A 16 -1.665 -3.815 5.723 1.00 25.43 O ATOM 236 CB CYS A 16 -4.348 -3.137 7.479 1.00 52.32 C ATOM 237 SG CYS A 16 -3.519 -4.427 8.442 1.00 72.51 S ATOM 0 H CYS A 16 -3.926 -5.196 5.726 1.00 43.54 H new ATOM 0 HA CYS A 16 -4.461 -2.287 5.492 1.00 1.03 H new ATOM 0 HB2 CYS A 16 -4.126 -2.167 7.925 1.00 52.32 H new ATOM 0 HB3 CYS A 16 -5.426 -3.282 7.550 1.00 52.32 H new ATOM 0 HG CYS A 16 -3.920 -4.371 9.677 1.00 72.51 H new ATOM 243 N ILE A 17 -2.017 -1.612 5.997 1.00 25.32 N ATOM 244 CA ILE A 17 -0.591 -1.270 5.979 1.00 42.32 C ATOM 245 C ILE A 17 0.076 -1.608 7.323 1.00 62.13 C ATOM 246 O ILE A 17 -0.347 -1.127 8.374 1.00 3.42 O ATOM 247 CB ILE A 17 -0.365 0.235 5.672 1.00 41.43 C ATOM 248 CG1 ILE A 17 -0.986 0.616 4.319 1.00 73.22 C ATOM 249 CG2 ILE A 17 1.126 0.566 5.687 1.00 2.00 C ATOM 250 CD1 ILE A 17 -0.853 2.087 3.972 1.00 14.15 C ATOM 0 H ILE A 17 -2.641 -0.811 6.096 1.00 25.32 H new ATOM 0 HA ILE A 17 -0.138 -1.865 5.186 1.00 42.32 H new ATOM 0 HB ILE A 17 -0.858 0.818 6.450 1.00 41.43 H new ATOM 0 HG12 ILE A 17 -0.514 0.024 3.535 1.00 73.22 H new ATOM 0 HG13 ILE A 17 -2.043 0.349 4.328 1.00 73.22 H new ATOM 0 HG21 ILE A 17 1.266 1.625 5.470 1.00 2.00 H new ATOM 0 HG22 ILE A 17 1.539 0.339 6.670 1.00 2.00 H new ATOM 0 HG23 ILE A 17 1.639 -0.030 4.932 1.00 2.00 H new ATOM 0 HD11 ILE A 17 -1.316 2.276 3.003 1.00 14.15 H new ATOM 0 HD12 ILE A 17 -1.350 2.687 4.734 1.00 14.15 H new ATOM 0 HD13 ILE A 17 0.202 2.357 3.929 1.00 14.15 H new ATOM 262 N GLU A 18 1.114 -2.438 7.282 1.00 1.30 N ATOM 263 CA GLU A 18 1.872 -2.784 8.489 1.00 13.33 C ATOM 264 C GLU A 18 2.943 -1.720 8.788 1.00 45.55 C ATOM 265 O GLU A 18 3.226 -1.413 9.947 1.00 21.01 O ATOM 266 CB GLU A 18 2.523 -4.168 8.324 1.00 64.41 C ATOM 267 CG GLU A 18 3.265 -4.657 9.566 1.00 5.32 C ATOM 268 CD GLU A 18 3.921 -6.016 9.370 1.00 4.40 C ATOM 269 OE1 GLU A 18 3.262 -7.048 9.621 1.00 71.14 O ATOM 270 OE2 GLU A 18 5.100 -6.056 8.957 1.00 42.51 O ATOM 0 H GLU A 18 1.452 -2.885 6.430 1.00 1.30 H new ATOM 0 HA GLU A 18 1.182 -2.816 9.332 1.00 13.33 H new ATOM 0 HB2 GLU A 18 1.751 -4.893 8.066 1.00 64.41 H new ATOM 0 HB3 GLU A 18 3.220 -4.133 7.487 1.00 64.41 H new ATOM 0 HG2 GLU A 18 4.028 -3.927 9.838 1.00 5.32 H new ATOM 0 HG3 GLU A 18 2.567 -4.714 10.401 1.00 5.32 H new ATOM 277 N GLU A 19 3.530 -1.154 7.732 1.00 41.03 N ATOM 278 CA GLU A 19 4.564 -0.121 7.877 1.00 64.12 C ATOM 279 C GLU A 19 4.859 0.580 6.541 1.00 55.35 C ATOM 280 O GLU A 19 4.810 -0.037 5.477 1.00 13.34 O ATOM 281 CB GLU A 19 5.862 -0.736 8.426 1.00 20.14 C ATOM 282 CG GLU A 19 6.999 0.270 8.599 1.00 70.22 C ATOM 283 CD GLU A 19 8.316 -0.388 8.972 1.00 14.35 C ATOM 284 OE1 GLU A 19 9.072 -0.774 8.054 1.00 41.21 O ATOM 285 OE2 GLU A 19 8.603 -0.526 10.181 1.00 3.14 O ATOM 0 H GLU A 19 3.309 -1.392 6.765 1.00 41.03 H new ATOM 0 HA GLU A 19 4.183 0.622 8.578 1.00 64.12 H new ATOM 0 HB2 GLU A 19 5.653 -1.202 9.389 1.00 20.14 H new ATOM 0 HB3 GLU A 19 6.190 -1.528 7.753 1.00 20.14 H new ATOM 0 HG2 GLU A 19 7.127 0.829 7.672 1.00 70.22 H new ATOM 0 HG3 GLU A 19 6.727 0.990 9.371 1.00 70.22 H new ATOM 292 N ILE A 20 5.165 1.874 6.602 1.00 10.23 N ATOM 293 CA ILE A 20 5.594 2.630 5.418 1.00 4.01 C ATOM 294 C ILE A 20 7.060 3.061 5.565 1.00 55.31 C ATOM 295 O ILE A 20 7.451 3.591 6.607 1.00 43.55 O ATOM 296 CB ILE A 20 4.716 3.887 5.193 1.00 61.14 C ATOM 297 CG1 ILE A 20 3.228 3.504 5.178 1.00 25.54 C ATOM 298 CG2 ILE A 20 5.104 4.590 3.886 1.00 51.00 C ATOM 299 CD1 ILE A 20 2.291 4.679 5.004 1.00 10.03 C ATOM 0 H ILE A 20 5.125 2.426 7.459 1.00 10.23 H new ATOM 0 HA ILE A 20 5.484 1.972 4.556 1.00 4.01 H new ATOM 0 HB ILE A 20 4.887 4.579 6.017 1.00 61.14 H new ATOM 0 HG12 ILE A 20 3.055 2.792 4.371 1.00 25.54 H new ATOM 0 HG13 ILE A 20 2.985 2.994 6.110 1.00 25.54 H new ATOM 0 HG21 ILE A 20 4.476 5.470 3.746 1.00 51.00 H new ATOM 0 HG22 ILE A 20 6.150 4.894 3.933 1.00 51.00 H new ATOM 0 HG23 ILE A 20 4.962 3.906 3.049 1.00 51.00 H new ATOM 0 HD11 ILE A 20 1.260 4.325 5.004 1.00 10.03 H new ATOM 0 HD12 ILE A 20 2.433 5.382 5.824 1.00 10.03 H new ATOM 0 HD13 ILE A 20 2.504 5.177 4.058 1.00 10.03 H new ATOM 311 N ASP A 21 7.863 2.832 4.527 1.00 43.44 N ATOM 312 CA ASP A 21 9.296 3.148 4.577 1.00 12.15 C ATOM 313 C ASP A 21 9.544 4.665 4.721 1.00 41.22 C ATOM 314 O ASP A 21 9.053 5.466 3.924 1.00 61.20 O ATOM 315 CB ASP A 21 9.991 2.600 3.324 1.00 25.01 C ATOM 316 CG ASP A 21 11.485 2.865 3.320 1.00 30.44 C ATOM 317 OD1 ASP A 21 12.189 2.354 4.219 1.00 25.51 O ATOM 318 OD2 ASP A 21 11.961 3.582 2.419 1.00 3.24 O ATOM 0 H ASP A 21 7.551 2.430 3.643 1.00 43.44 H new ATOM 0 HA ASP A 21 9.719 2.670 5.461 1.00 12.15 H new ATOM 0 HB2 ASP A 21 9.816 1.526 3.257 1.00 25.01 H new ATOM 0 HB3 ASP A 21 9.544 3.052 2.439 1.00 25.01 H new ATOM 323 N VAL A 22 10.331 5.044 5.733 1.00 43.41 N ATOM 324 CA VAL A 22 10.595 6.460 6.040 1.00 73.23 C ATOM 325 C VAL A 22 11.725 7.045 5.156 1.00 52.24 C ATOM 326 O VAL A 22 12.373 8.033 5.507 1.00 72.11 O ATOM 327 CB VAL A 22 10.941 6.630 7.548 1.00 24.14 C ATOM 328 CG1 VAL A 22 12.309 6.030 7.873 1.00 15.54 C ATOM 329 CG2 VAL A 22 10.860 8.098 7.978 1.00 24.12 C ATOM 0 H VAL A 22 10.800 4.389 6.358 1.00 43.41 H new ATOM 0 HA VAL A 22 9.686 7.019 5.817 1.00 73.23 H new ATOM 0 HB VAL A 22 10.194 6.080 8.121 1.00 24.14 H new ATOM 0 HG11 VAL A 22 12.523 6.164 8.933 1.00 15.54 H new ATOM 0 HG12 VAL A 22 12.305 4.966 7.635 1.00 15.54 H new ATOM 0 HG13 VAL A 22 13.076 6.531 7.282 1.00 15.54 H new ATOM 0 HG21 VAL A 22 11.107 8.181 9.036 1.00 24.12 H new ATOM 0 HG22 VAL A 22 11.565 8.688 7.393 1.00 24.12 H new ATOM 0 HG23 VAL A 22 9.849 8.471 7.811 1.00 24.12 H new ATOM 339 N ASP A 23 11.952 6.427 4.002 1.00 13.21 N ATOM 340 CA ASP A 23 12.890 6.950 3.002 1.00 62.43 C ATOM 341 C ASP A 23 12.161 7.197 1.672 1.00 51.43 C ATOM 342 O ASP A 23 12.211 8.297 1.113 1.00 74.02 O ATOM 343 CB ASP A 23 14.060 5.971 2.812 1.00 44.23 C ATOM 344 CG ASP A 23 15.038 6.421 1.738 1.00 71.53 C ATOM 345 OD1 ASP A 23 15.742 7.425 1.948 1.00 43.41 O ATOM 346 OD2 ASP A 23 15.119 5.758 0.683 1.00 20.12 O ATOM 0 H ASP A 23 11.497 5.555 3.730 1.00 13.21 H new ATOM 0 HA ASP A 23 13.292 7.900 3.353 1.00 62.43 H new ATOM 0 HB2 ASP A 23 14.592 5.860 3.757 1.00 44.23 H new ATOM 0 HB3 ASP A 23 13.667 4.989 2.550 1.00 44.23 H new ATOM 351 N GLY A 24 11.472 6.167 1.183 1.00 0.10 N ATOM 352 CA GLY A 24 10.679 6.293 -0.037 1.00 44.24 C ATOM 353 C GLY A 24 10.754 5.074 -0.949 1.00 60.43 C ATOM 354 O GLY A 24 10.325 5.133 -2.103 1.00 32.12 O ATOM 0 H GLY A 24 11.447 5.241 1.611 1.00 0.10 H new ATOM 0 HA2 GLY A 24 9.638 6.469 0.234 1.00 44.24 H new ATOM 0 HA3 GLY A 24 11.017 7.170 -0.590 1.00 44.24 H new ATOM 358 N LYS A 25 11.279 3.963 -0.434 1.00 35.31 N ATOM 359 CA LYS A 25 11.467 2.750 -1.237 1.00 14.21 C ATOM 360 C LYS A 25 10.147 1.988 -1.478 1.00 13.22 C ATOM 361 O LYS A 25 9.794 1.687 -2.623 1.00 73.21 O ATOM 362 CB LYS A 25 12.483 1.821 -0.558 1.00 60.44 C ATOM 363 CG LYS A 25 13.864 2.447 -0.369 1.00 60.21 C ATOM 364 CD LYS A 25 14.835 1.485 0.312 1.00 2.53 C ATOM 365 CE LYS A 25 16.212 2.115 0.507 1.00 72.13 C ATOM 366 NZ LYS A 25 16.148 3.333 1.359 1.00 22.15 N ATOM 0 H LYS A 25 11.583 3.875 0.536 1.00 35.31 H new ATOM 0 HA LYS A 25 11.842 3.067 -2.210 1.00 14.21 H new ATOM 0 HB2 LYS A 25 12.094 1.523 0.415 1.00 60.44 H new ATOM 0 HB3 LYS A 25 12.585 0.913 -1.153 1.00 60.44 H new ATOM 0 HG2 LYS A 25 14.265 2.742 -1.339 1.00 60.21 H new ATOM 0 HG3 LYS A 25 13.773 3.355 0.228 1.00 60.21 H new ATOM 0 HD2 LYS A 25 14.432 1.185 1.279 1.00 2.53 H new ATOM 0 HD3 LYS A 25 14.931 0.580 -0.288 1.00 2.53 H new ATOM 0 HE2 LYS A 25 16.883 1.387 0.963 1.00 72.13 H new ATOM 0 HE3 LYS A 25 16.634 2.373 -0.464 1.00 72.13 H new ATOM 0 HZ1 LYS A 25 17.103 3.575 1.691 1.00 22.15 H new ATOM 0 HZ2 LYS A 25 15.763 4.125 0.805 1.00 22.15 H new ATOM 0 HZ3 LYS A 25 15.532 3.152 2.177 1.00 22.15 H new ATOM 380 N PHE A 26 9.415 1.679 -0.403 1.00 52.34 N ATOM 381 CA PHE A 26 8.220 0.824 -0.515 1.00 23.53 C ATOM 382 C PHE A 26 7.196 1.049 0.615 1.00 22.33 C ATOM 383 O PHE A 26 7.521 1.560 1.688 1.00 74.54 O ATOM 384 CB PHE A 26 8.642 -0.656 -0.536 1.00 11.22 C ATOM 385 CG PHE A 26 9.456 -1.083 0.665 1.00 1.12 C ATOM 386 CD1 PHE A 26 8.835 -1.526 1.827 1.00 52.33 C ATOM 387 CD2 PHE A 26 10.843 -1.039 0.631 1.00 5.14 C ATOM 388 CE1 PHE A 26 9.581 -1.916 2.923 1.00 0.34 C ATOM 389 CE2 PHE A 26 11.593 -1.427 1.724 1.00 0.35 C ATOM 390 CZ PHE A 26 10.961 -1.866 2.872 1.00 21.00 C ATOM 0 H PHE A 26 9.621 2.000 0.543 1.00 52.34 H new ATOM 0 HA PHE A 26 7.727 1.100 -1.447 1.00 23.53 H new ATOM 0 HB2 PHE A 26 7.748 -1.277 -0.595 1.00 11.22 H new ATOM 0 HB3 PHE A 26 9.221 -0.845 -1.440 1.00 11.22 H new ATOM 0 HD1 PHE A 26 7.757 -1.566 1.874 1.00 52.33 H new ATOM 0 HD2 PHE A 26 11.343 -0.696 -0.263 1.00 5.14 H new ATOM 0 HE1 PHE A 26 9.086 -2.260 3.819 1.00 0.34 H new ATOM 0 HE2 PHE A 26 12.671 -1.387 1.682 1.00 0.35 H new ATOM 0 HZ PHE A 26 11.545 -2.170 3.728 1.00 21.00 H new ATOM 400 N ILE A 27 5.950 0.653 0.345 1.00 70.34 N ATOM 401 CA ILE A 27 4.867 0.671 1.340 1.00 71.11 C ATOM 402 C ILE A 27 4.410 -0.768 1.654 1.00 74.44 C ATOM 403 O ILE A 27 3.996 -1.505 0.761 1.00 63.32 O ATOM 404 CB ILE A 27 3.658 1.503 0.835 1.00 60.31 C ATOM 405 CG1 ILE A 27 4.113 2.922 0.441 1.00 5.53 C ATOM 406 CG2 ILE A 27 2.561 1.564 1.899 1.00 11.22 C ATOM 407 CD1 ILE A 27 3.012 3.782 -0.147 1.00 64.24 C ATOM 0 H ILE A 27 5.660 0.310 -0.571 1.00 70.34 H new ATOM 0 HA ILE A 27 5.252 1.136 2.247 1.00 71.11 H new ATOM 0 HB ILE A 27 3.246 1.014 -0.048 1.00 60.31 H new ATOM 0 HG12 ILE A 27 4.518 3.420 1.322 1.00 5.53 H new ATOM 0 HG13 ILE A 27 4.925 2.844 -0.282 1.00 5.53 H new ATOM 0 HG21 ILE A 27 1.723 2.152 1.524 1.00 11.22 H new ATOM 0 HG22 ILE A 27 2.221 0.554 2.130 1.00 11.22 H new ATOM 0 HG23 ILE A 27 2.956 2.029 2.802 1.00 11.22 H new ATOM 0 HD11 ILE A 27 3.412 4.764 -0.398 1.00 64.24 H new ATOM 0 HD12 ILE A 27 2.622 3.308 -1.048 1.00 64.24 H new ATOM 0 HD13 ILE A 27 2.209 3.893 0.581 1.00 64.24 H new ATOM 419 N ARG A 28 4.486 -1.169 2.921 1.00 54.51 N ATOM 420 CA ARG A 28 4.221 -2.562 3.308 1.00 30.30 C ATOM 421 C ARG A 28 2.762 -2.781 3.748 1.00 22.13 C ATOM 422 O ARG A 28 2.356 -2.342 4.827 1.00 21.34 O ATOM 423 CB ARG A 28 5.162 -2.970 4.451 1.00 31.32 C ATOM 424 CG ARG A 28 5.048 -4.438 4.853 1.00 21.44 C ATOM 425 CD ARG A 28 5.703 -4.711 6.205 1.00 11.24 C ATOM 426 NE ARG A 28 7.113 -4.327 6.240 1.00 63.31 N ATOM 427 CZ ARG A 28 8.003 -4.874 7.025 1.00 21.00 C ATOM 428 NH1 ARG A 28 7.666 -5.800 7.864 1.00 34.54 N ATOM 429 NH2 ARG A 28 9.229 -4.474 6.988 1.00 22.31 N ATOM 0 H ARG A 28 4.728 -0.555 3.699 1.00 54.51 H new ATOM 0 HA ARG A 28 4.398 -3.181 2.429 1.00 30.30 H new ATOM 0 HB2 ARG A 28 6.190 -2.764 4.153 1.00 31.32 H new ATOM 0 HB3 ARG A 28 4.952 -2.348 5.321 1.00 31.32 H new ATOM 0 HG2 ARG A 28 3.997 -4.722 4.895 1.00 21.44 H new ATOM 0 HG3 ARG A 28 5.516 -5.061 4.091 1.00 21.44 H new ATOM 0 HD2 ARG A 28 5.164 -4.167 6.981 1.00 11.24 H new ATOM 0 HD3 ARG A 28 5.614 -5.772 6.439 1.00 11.24 H new ATOM 0 HE ARG A 28 7.422 -3.585 5.612 1.00 63.31 H new ATOM 0 HH11 ARG A 28 6.696 -6.111 7.918 1.00 34.54 H new ATOM 0 HH12 ARG A 28 8.370 -6.219 8.471 1.00 34.54 H new ATOM 0 HH21 ARG A 28 9.504 -3.731 6.346 1.00 22.31 H new ATOM 0 HH22 ARG A 28 9.924 -4.901 7.601 1.00 22.31 H new ATOM 443 N LEU A 29 1.977 -3.461 2.909 1.00 52.31 N ATOM 444 CA LEU A 29 0.613 -3.873 3.281 1.00 55.11 C ATOM 445 C LEU A 29 0.573 -5.359 3.686 1.00 62.55 C ATOM 446 O LEU A 29 1.540 -6.093 3.488 1.00 30.15 O ATOM 447 CB LEU A 29 -0.380 -3.620 2.134 1.00 75.10 C ATOM 448 CG LEU A 29 -0.705 -2.144 1.838 1.00 63.12 C ATOM 449 CD1 LEU A 29 0.484 -1.431 1.199 1.00 63.52 C ATOM 450 CD2 LEU A 29 -1.941 -2.038 0.951 1.00 1.11 C ATOM 0 H LEU A 29 2.258 -3.739 1.969 1.00 52.31 H new ATOM 0 HA LEU A 29 0.316 -3.267 4.137 1.00 55.11 H new ATOM 0 HB2 LEU A 29 0.020 -4.073 1.227 1.00 75.10 H new ATOM 0 HB3 LEU A 29 -1.311 -4.138 2.365 1.00 75.10 H new ATOM 0 HG LEU A 29 -0.916 -1.649 2.786 1.00 63.12 H new ATOM 0 HD11 LEU A 29 0.222 -0.391 1.003 1.00 63.52 H new ATOM 0 HD12 LEU A 29 1.337 -1.469 1.876 1.00 63.52 H new ATOM 0 HD13 LEU A 29 0.743 -1.923 0.262 1.00 63.52 H new ATOM 0 HD21 LEU A 29 -2.157 -0.988 0.752 1.00 1.11 H new ATOM 0 HD22 LEU A 29 -1.759 -2.556 0.010 1.00 1.11 H new ATOM 0 HD23 LEU A 29 -2.792 -2.494 1.457 1.00 1.11 H new ATOM 462 N LYS A 30 -0.552 -5.799 4.250 1.00 31.32 N ATOM 463 CA LYS A 30 -0.683 -7.178 4.740 1.00 41.50 C ATOM 464 C LYS A 30 -2.152 -7.628 4.807 1.00 61.22 C ATOM 465 O LYS A 30 -2.997 -6.942 5.385 1.00 55.35 O ATOM 466 CB LYS A 30 -0.036 -7.288 6.130 1.00 33.32 C ATOM 467 CG LYS A 30 -0.154 -8.667 6.778 1.00 21.24 C ATOM 468 CD LYS A 30 0.550 -8.715 8.135 1.00 62.33 C ATOM 469 CE LYS A 30 -0.019 -7.689 9.111 1.00 12.44 C ATOM 470 NZ LYS A 30 0.681 -7.720 10.419 1.00 61.54 N ATOM 0 H LYS A 30 -1.385 -5.225 4.380 1.00 31.32 H new ATOM 0 HA LYS A 30 -0.173 -7.836 4.036 1.00 41.50 H new ATOM 0 HB2 LYS A 30 1.020 -7.029 6.047 1.00 33.32 H new ATOM 0 HB3 LYS A 30 -0.494 -6.551 6.789 1.00 33.32 H new ATOM 0 HG2 LYS A 30 -1.206 -8.921 6.905 1.00 21.24 H new ATOM 0 HG3 LYS A 30 0.278 -9.418 6.117 1.00 21.24 H new ATOM 0 HD2 LYS A 30 0.450 -9.714 8.560 1.00 62.33 H new ATOM 0 HD3 LYS A 30 1.616 -8.532 7.997 1.00 62.33 H new ATOM 0 HE2 LYS A 30 0.064 -6.692 8.679 1.00 12.44 H new ATOM 0 HE3 LYS A 30 -1.081 -7.883 9.263 1.00 12.44 H new ATOM 0 HZ1 LYS A 30 0.181 -7.108 11.095 1.00 61.54 H new ATOM 0 HZ2 LYS A 30 0.698 -8.695 10.781 1.00 61.54 H new ATOM 0 HZ3 LYS A 30 1.656 -7.379 10.299 1.00 61.54 H new ATOM 484 N ASN A 31 -2.445 -8.784 4.209 1.00 41.52 N ATOM 485 CA ASN A 31 -3.784 -9.385 4.276 1.00 71.41 C ATOM 486 C ASN A 31 -3.888 -10.352 5.466 1.00 55.31 C ATOM 487 O ASN A 31 -3.253 -11.405 5.478 1.00 24.42 O ATOM 488 CB ASN A 31 -4.100 -10.135 2.970 1.00 52.30 C ATOM 489 CG ASN A 31 -5.434 -10.864 3.010 1.00 25.33 C ATOM 490 OD1 ASN A 31 -6.369 -10.452 3.694 1.00 60.01 O ATOM 491 ND2 ASN A 31 -5.535 -11.957 2.282 1.00 51.30 N ATOM 0 H ASN A 31 -1.771 -9.327 3.669 1.00 41.52 H new ATOM 0 HA ASN A 31 -4.508 -8.582 4.412 1.00 71.41 H new ATOM 0 HB2 ASN A 31 -4.105 -9.426 2.142 1.00 52.30 H new ATOM 0 HB3 ASN A 31 -3.306 -10.854 2.769 1.00 52.30 H new ATOM 0 HD21 ASN A 31 -6.407 -12.487 2.275 1.00 51.30 H new ATOM 0 HD22 ASN A 31 -4.742 -12.274 1.725 1.00 51.30 H new ATOM 498 N THR A 32 -4.698 -9.991 6.460 1.00 33.33 N ATOM 499 CA THR A 32 -4.864 -10.818 7.668 1.00 3.41 C ATOM 500 C THR A 32 -6.164 -11.645 7.626 1.00 35.51 C ATOM 501 O THR A 32 -6.644 -12.130 8.651 1.00 14.43 O ATOM 502 CB THR A 32 -4.842 -9.948 8.954 1.00 10.33 C ATOM 503 OG1 THR A 32 -4.980 -10.774 10.124 1.00 64.04 O ATOM 504 CG2 THR A 32 -5.952 -8.901 8.937 1.00 65.44 C ATOM 0 H THR A 32 -5.251 -9.134 6.459 1.00 33.33 H new ATOM 0 HA THR A 32 -4.020 -11.507 7.690 1.00 3.41 H new ATOM 0 HB THR A 32 -3.881 -9.434 8.984 1.00 10.33 H new ATOM 0 HG1 THR A 32 -5.638 -11.479 9.951 1.00 64.04 H new ATOM 0 HG21 THR A 32 -5.908 -8.309 9.851 1.00 65.44 H new ATOM 0 HG22 THR A 32 -5.822 -8.247 8.075 1.00 65.44 H new ATOM 0 HG23 THR A 32 -6.920 -9.398 8.873 1.00 65.44 H new ATOM 512 N SER A 33 -6.727 -11.820 6.428 1.00 13.44 N ATOM 513 CA SER A 33 -7.961 -12.605 6.262 1.00 31.45 C ATOM 514 C SER A 33 -7.680 -14.119 6.295 1.00 54.13 C ATOM 515 O SER A 33 -6.544 -14.546 6.496 1.00 61.41 O ATOM 516 CB SER A 33 -8.666 -12.236 4.952 1.00 53.42 C ATOM 517 OG SER A 33 -9.918 -12.900 4.845 1.00 64.03 O ATOM 0 H SER A 33 -6.354 -11.433 5.561 1.00 13.44 H new ATOM 0 HA SER A 33 -8.614 -12.362 7.100 1.00 31.45 H new ATOM 0 HB2 SER A 33 -8.817 -11.157 4.907 1.00 53.42 H new ATOM 0 HB3 SER A 33 -8.034 -12.505 4.106 1.00 53.42 H new ATOM 0 HG SER A 33 -10.138 -13.033 3.899 1.00 64.03 H new ATOM 523 N GLU A 34 -8.723 -14.922 6.088 1.00 3.14 N ATOM 524 CA GLU A 34 -8.614 -16.387 6.178 1.00 73.30 C ATOM 525 C GLU A 34 -8.097 -17.034 4.880 1.00 71.00 C ATOM 526 O GLU A 34 -7.318 -17.988 4.916 1.00 23.33 O ATOM 527 CB GLU A 34 -9.980 -16.998 6.511 1.00 41.04 C ATOM 528 CG GLU A 34 -10.609 -16.482 7.798 1.00 14.54 C ATOM 529 CD GLU A 34 -11.890 -17.224 8.137 1.00 2.04 C ATOM 530 OE1 GLU A 34 -12.916 -16.996 7.462 1.00 74.45 O ATOM 531 OE2 GLU A 34 -11.873 -18.054 9.073 1.00 51.45 O ATOM 0 H GLU A 34 -9.658 -14.586 5.856 1.00 3.14 H new ATOM 0 HA GLU A 34 -7.891 -16.590 6.968 1.00 73.30 H new ATOM 0 HB2 GLU A 34 -10.663 -16.801 5.684 1.00 41.04 H new ATOM 0 HB3 GLU A 34 -9.871 -18.080 6.584 1.00 41.04 H new ATOM 0 HG2 GLU A 34 -9.899 -16.589 8.618 1.00 14.54 H new ATOM 0 HG3 GLU A 34 -10.821 -15.418 7.697 1.00 14.54 H new ATOM 538 N GLN A 35 -8.543 -16.523 3.738 1.00 14.23 N ATOM 539 CA GLN A 35 -8.279 -17.171 2.445 1.00 64.54 C ATOM 540 C GLN A 35 -7.729 -16.170 1.411 1.00 50.42 C ATOM 541 O GLN A 35 -7.695 -14.962 1.657 1.00 43.31 O ATOM 542 CB GLN A 35 -9.584 -17.820 1.939 1.00 4.00 C ATOM 543 CG GLN A 35 -9.409 -18.765 0.751 1.00 51.15 C ATOM 544 CD GLN A 35 -10.724 -19.377 0.290 1.00 62.10 C ATOM 545 OE1 GLN A 35 -11.783 -18.765 0.399 1.00 64.03 O ATOM 546 NE2 GLN A 35 -10.676 -20.590 -0.220 1.00 50.33 N ATOM 0 H GLN A 35 -9.089 -15.664 3.674 1.00 14.23 H new ATOM 0 HA GLN A 35 -7.515 -17.936 2.582 1.00 64.54 H new ATOM 0 HB2 GLN A 35 -10.041 -18.372 2.760 1.00 4.00 H new ATOM 0 HB3 GLN A 35 -10.281 -17.031 1.658 1.00 4.00 H new ATOM 0 HG2 GLN A 35 -8.956 -18.221 -0.078 1.00 51.15 H new ATOM 0 HG3 GLN A 35 -8.718 -19.562 1.025 1.00 51.15 H new ATOM 0 HE21 GLN A 35 -9.782 -21.075 -0.299 1.00 50.33 H new ATOM 0 HE22 GLN A 35 -11.533 -21.044 -0.536 1.00 50.33 H new ATOM 555 N ASP A 36 -7.275 -16.691 0.268 1.00 54.03 N ATOM 556 CA ASP A 36 -6.806 -15.865 -0.853 1.00 44.22 C ATOM 557 C ASP A 36 -7.851 -14.797 -1.250 1.00 34.20 C ATOM 558 O ASP A 36 -8.865 -15.106 -1.882 1.00 10.55 O ATOM 559 CB ASP A 36 -6.491 -16.765 -2.061 1.00 14.15 C ATOM 560 CG ASP A 36 -5.431 -17.818 -1.770 1.00 5.14 C ATOM 561 OD1 ASP A 36 -5.638 -18.645 -0.858 1.00 32.24 O ATOM 562 OD2 ASP A 36 -4.396 -17.845 -2.475 1.00 13.22 O ATOM 0 H ASP A 36 -7.221 -17.694 0.092 1.00 54.03 H new ATOM 0 HA ASP A 36 -5.903 -15.344 -0.535 1.00 44.22 H new ATOM 0 HB2 ASP A 36 -7.406 -17.261 -2.384 1.00 14.15 H new ATOM 0 HB3 ASP A 36 -6.156 -16.143 -2.891 1.00 14.15 H new ATOM 567 N GLN A 37 -7.591 -13.544 -0.874 1.00 41.02 N ATOM 568 CA GLN A 37 -8.512 -12.429 -1.151 1.00 23.42 C ATOM 569 C GLN A 37 -8.197 -11.736 -2.490 1.00 15.10 C ATOM 570 O GLN A 37 -7.036 -11.484 -2.810 1.00 31.34 O ATOM 571 CB GLN A 37 -8.443 -11.395 -0.018 1.00 23.32 C ATOM 572 CG GLN A 37 -8.849 -11.948 1.340 1.00 3.51 C ATOM 573 CD GLN A 37 -10.299 -12.406 1.396 1.00 74.33 C ATOM 574 OE1 GLN A 37 -10.638 -13.334 2.120 1.00 24.02 O ATOM 575 NE2 GLN A 37 -11.171 -11.743 0.662 1.00 12.34 N ATOM 0 H GLN A 37 -6.746 -13.270 -0.373 1.00 41.02 H new ATOM 0 HA GLN A 37 -9.516 -12.849 -1.216 1.00 23.42 H new ATOM 0 HB2 GLN A 37 -7.426 -11.007 0.047 1.00 23.32 H new ATOM 0 HB3 GLN A 37 -9.090 -10.554 -0.266 1.00 23.32 H new ATOM 0 HG2 GLN A 37 -8.200 -12.787 1.591 1.00 3.51 H new ATOM 0 HG3 GLN A 37 -8.688 -11.182 2.099 1.00 3.51 H new ATOM 0 HE21 GLN A 37 -10.858 -10.974 0.069 1.00 12.34 H new ATOM 0 HE22 GLN A 37 -12.158 -11.999 0.688 1.00 12.34 H new ATOM 584 N PRO A 38 -9.233 -11.412 -3.293 1.00 63.32 N ATOM 585 CA PRO A 38 -9.059 -10.684 -4.565 1.00 14.32 C ATOM 586 C PRO A 38 -8.461 -9.279 -4.367 1.00 23.34 C ATOM 587 O PRO A 38 -9.096 -8.402 -3.782 1.00 50.32 O ATOM 588 CB PRO A 38 -10.491 -10.590 -5.128 1.00 1.23 C ATOM 589 CG PRO A 38 -11.255 -11.655 -4.413 1.00 72.52 C ATOM 590 CD PRO A 38 -10.650 -11.734 -3.040 1.00 52.12 C ATOM 0 HA PRO A 38 -8.360 -11.194 -5.228 1.00 14.32 H new ATOM 0 HB2 PRO A 38 -10.923 -9.605 -4.948 1.00 1.23 H new ATOM 0 HB3 PRO A 38 -10.503 -10.751 -6.206 1.00 1.23 H new ATOM 0 HG2 PRO A 38 -12.315 -11.408 -4.360 1.00 72.52 H new ATOM 0 HG3 PRO A 38 -11.175 -12.610 -4.932 1.00 72.52 H new ATOM 0 HD2 PRO A 38 -11.110 -11.024 -2.353 1.00 52.12 H new ATOM 0 HD3 PRO A 38 -10.768 -12.725 -2.601 1.00 52.12 H new ATOM 598 N MET A 39 -7.238 -9.072 -4.852 1.00 72.20 N ATOM 599 CA MET A 39 -6.555 -7.776 -4.709 1.00 51.43 C ATOM 600 C MET A 39 -7.219 -6.683 -5.574 1.00 23.21 C ATOM 601 O MET A 39 -7.182 -5.496 -5.237 1.00 5.44 O ATOM 602 CB MET A 39 -5.072 -7.924 -5.086 1.00 55.20 C ATOM 603 CG MET A 39 -4.213 -6.679 -4.845 1.00 13.21 C ATOM 604 SD MET A 39 -3.838 -6.375 -3.098 1.00 34.12 S ATOM 605 CE MET A 39 -5.357 -5.642 -2.489 1.00 21.30 C ATOM 0 H MET A 39 -6.696 -9.780 -5.347 1.00 72.20 H new ATOM 0 HA MET A 39 -6.636 -7.466 -3.667 1.00 51.43 H new ATOM 0 HB2 MET A 39 -4.650 -8.753 -4.518 1.00 55.20 H new ATOM 0 HB3 MET A 39 -5.006 -8.193 -6.140 1.00 55.20 H new ATOM 0 HG2 MET A 39 -3.278 -6.783 -5.395 1.00 13.21 H new ATOM 0 HG3 MET A 39 -4.728 -5.809 -5.253 1.00 13.21 H new ATOM 0 HE1 MET A 39 -5.120 -4.866 -1.761 1.00 21.30 H new ATOM 0 HE2 MET A 39 -5.908 -5.204 -3.321 1.00 21.30 H new ATOM 0 HE3 MET A 39 -5.967 -6.410 -2.014 1.00 21.30 H new ATOM 615 N GLY A 40 -7.828 -7.097 -6.684 1.00 52.33 N ATOM 616 CA GLY A 40 -8.479 -6.156 -7.590 1.00 44.33 C ATOM 617 C GLY A 40 -9.779 -5.577 -7.038 1.00 64.42 C ATOM 618 O GLY A 40 -10.872 -5.991 -7.433 1.00 3.01 O ATOM 0 H GLY A 40 -7.884 -8.073 -6.975 1.00 52.33 H new ATOM 0 HA2 GLY A 40 -7.791 -5.339 -7.808 1.00 44.33 H new ATOM 0 HA3 GLY A 40 -8.687 -6.659 -8.535 1.00 44.33 H new ATOM 622 N GLY A 41 -9.658 -4.630 -6.113 1.00 55.41 N ATOM 623 CA GLY A 41 -10.827 -3.952 -5.558 1.00 3.52 C ATOM 624 C GLY A 41 -10.466 -2.849 -4.562 1.00 21.24 C ATOM 625 O GLY A 41 -11.333 -2.343 -3.846 1.00 4.03 O ATOM 0 H GLY A 41 -8.766 -4.315 -5.732 1.00 55.41 H new ATOM 0 HA2 GLY A 41 -11.410 -3.521 -6.372 1.00 3.52 H new ATOM 0 HA3 GLY A 41 -11.464 -4.685 -5.063 1.00 3.52 H new ATOM 629 N TRP A 42 -9.187 -2.472 -4.523 1.00 12.52 N ATOM 630 CA TRP A 42 -8.685 -1.460 -3.580 1.00 4.40 C ATOM 631 C TRP A 42 -7.966 -0.322 -4.330 1.00 43.01 C ATOM 632 O TRP A 42 -7.572 -0.482 -5.489 1.00 64.04 O ATOM 633 CB TRP A 42 -7.710 -2.113 -2.581 1.00 44.35 C ATOM 634 CG TRP A 42 -8.316 -3.197 -1.734 1.00 72.34 C ATOM 635 CD1 TRP A 42 -8.812 -4.397 -2.161 1.00 41.33 C ATOM 636 CD2 TRP A 42 -8.463 -3.191 -0.309 1.00 11.50 C ATOM 637 NE1 TRP A 42 -9.280 -5.123 -1.095 1.00 32.02 N ATOM 638 CE2 TRP A 42 -9.074 -4.406 0.054 1.00 62.11 C ATOM 639 CE3 TRP A 42 -8.143 -2.271 0.694 1.00 25.41 C ATOM 640 CZ2 TRP A 42 -9.369 -4.727 1.378 1.00 75.41 C ATOM 641 CZ3 TRP A 42 -8.434 -2.590 2.007 1.00 11.45 C ATOM 642 CH2 TRP A 42 -9.044 -3.809 2.339 1.00 24.25 C ATOM 0 H TRP A 42 -8.470 -2.855 -5.139 1.00 12.52 H new ATOM 0 HA TRP A 42 -9.536 -1.042 -3.042 1.00 4.40 H new ATOM 0 HB2 TRP A 42 -6.868 -2.530 -3.134 1.00 44.35 H new ATOM 0 HB3 TRP A 42 -7.309 -1.339 -1.926 1.00 44.35 H new ATOM 0 HD1 TRP A 42 -8.833 -4.726 -3.189 1.00 41.33 H new ATOM 0 HE1 TRP A 42 -9.711 -6.046 -1.149 1.00 32.02 H new ATOM 0 HE3 TRP A 42 -7.677 -1.328 0.447 1.00 25.41 H new ATOM 0 HZ2 TRP A 42 -9.837 -5.666 1.636 1.00 75.41 H new ATOM 0 HZ3 TRP A 42 -8.188 -1.889 2.791 1.00 11.45 H new ATOM 0 HH2 TRP A 42 -9.261 -4.027 3.374 1.00 24.25 H new ATOM 653 N GLU A 43 -7.786 0.823 -3.670 1.00 32.05 N ATOM 654 CA GLU A 43 -7.047 1.948 -4.259 1.00 41.00 C ATOM 655 C GLU A 43 -6.254 2.721 -3.188 1.00 71.41 C ATOM 656 O GLU A 43 -6.763 3.004 -2.101 1.00 62.04 O ATOM 657 CB GLU A 43 -8.000 2.898 -5.006 1.00 2.32 C ATOM 658 CG GLU A 43 -7.279 3.953 -5.841 1.00 12.03 C ATOM 659 CD GLU A 43 -8.215 4.747 -6.739 1.00 11.34 C ATOM 660 OE1 GLU A 43 -8.758 4.163 -7.706 1.00 70.12 O ATOM 661 OE2 GLU A 43 -8.395 5.959 -6.504 1.00 73.15 O ATOM 0 H GLU A 43 -8.140 0.999 -2.730 1.00 32.05 H new ATOM 0 HA GLU A 43 -6.336 1.534 -4.974 1.00 41.00 H new ATOM 0 HB2 GLU A 43 -8.648 2.311 -5.657 1.00 2.32 H new ATOM 0 HB3 GLU A 43 -8.644 3.397 -4.282 1.00 2.32 H new ATOM 0 HG2 GLU A 43 -6.756 4.639 -5.175 1.00 12.03 H new ATOM 0 HG3 GLU A 43 -6.522 3.466 -6.456 1.00 12.03 H new ATOM 668 N MET A 44 -5.002 3.045 -3.509 1.00 41.45 N ATOM 669 CA MET A 44 -4.105 3.764 -2.594 1.00 2.52 C ATOM 670 C MET A 44 -3.998 5.255 -2.960 1.00 12.23 C ATOM 671 O MET A 44 -3.589 5.597 -4.067 1.00 35.52 O ATOM 672 CB MET A 44 -2.708 3.123 -2.639 1.00 74.22 C ATOM 673 CG MET A 44 -1.671 3.839 -1.784 1.00 21.31 C ATOM 674 SD MET A 44 -0.038 3.074 -1.868 1.00 1.11 S ATOM 675 CE MET A 44 0.345 3.255 -3.608 1.00 52.31 C ATOM 0 H MET A 44 -4.578 2.819 -4.409 1.00 41.45 H new ATOM 0 HA MET A 44 -4.520 3.693 -1.589 1.00 2.52 H new ATOM 0 HB2 MET A 44 -2.784 2.087 -2.309 1.00 74.22 H new ATOM 0 HB3 MET A 44 -2.361 3.103 -3.672 1.00 74.22 H new ATOM 0 HG2 MET A 44 -1.597 4.878 -2.106 1.00 21.31 H new ATOM 0 HG3 MET A 44 -2.008 3.850 -0.747 1.00 21.31 H new ATOM 0 HE1 MET A 44 1.391 3.538 -3.723 1.00 52.31 H new ATOM 0 HE2 MET A 44 0.167 2.309 -4.120 1.00 52.31 H new ATOM 0 HE3 MET A 44 -0.290 4.028 -4.042 1.00 52.31 H new ATOM 685 N ILE A 45 -4.370 6.132 -2.026 1.00 22.22 N ATOM 686 CA ILE A 45 -4.225 7.584 -2.212 1.00 54.01 C ATOM 687 C ILE A 45 -3.109 8.137 -1.306 1.00 34.25 C ATOM 688 O ILE A 45 -3.193 8.048 -0.084 1.00 71.40 O ATOM 689 CB ILE A 45 -5.548 8.351 -1.909 1.00 2.25 C ATOM 690 CG1 ILE A 45 -6.684 7.922 -2.860 1.00 64.43 C ATOM 691 CG2 ILE A 45 -5.326 9.861 -2.004 1.00 71.51 C ATOM 692 CD1 ILE A 45 -7.271 6.556 -2.563 1.00 71.54 C ATOM 0 H ILE A 45 -4.776 5.865 -1.129 1.00 22.22 H new ATOM 0 HA ILE A 45 -3.968 7.741 -3.260 1.00 54.01 H new ATOM 0 HB ILE A 45 -5.848 8.098 -0.892 1.00 2.25 H new ATOM 0 HG12 ILE A 45 -7.481 8.664 -2.812 1.00 64.43 H new ATOM 0 HG13 ILE A 45 -6.306 7.926 -3.882 1.00 64.43 H new ATOM 0 HG21 ILE A 45 -6.260 10.380 -1.790 1.00 71.51 H new ATOM 0 HG22 ILE A 45 -4.568 10.164 -1.281 1.00 71.51 H new ATOM 0 HG23 ILE A 45 -4.991 10.117 -3.009 1.00 71.51 H new ATOM 0 HD11 ILE A 45 -8.062 6.336 -3.280 1.00 71.54 H new ATOM 0 HD12 ILE A 45 -6.490 5.800 -2.641 1.00 71.54 H new ATOM 0 HD13 ILE A 45 -7.683 6.549 -1.554 1.00 71.54 H new ATOM 704 N ARG A 46 -2.061 8.704 -1.904 1.00 24.13 N ATOM 705 CA ARG A 46 -0.935 9.250 -1.127 1.00 34.13 C ATOM 706 C ARG A 46 -1.144 10.737 -0.777 1.00 21.21 C ATOM 707 O ARG A 46 -1.443 11.553 -1.652 1.00 24.32 O ATOM 708 CB ARG A 46 0.381 9.092 -1.905 1.00 22.23 C ATOM 709 CG ARG A 46 1.598 9.651 -1.167 1.00 1.54 C ATOM 710 CD ARG A 46 2.868 9.596 -2.014 1.00 23.44 C ATOM 711 NE ARG A 46 4.029 10.136 -1.300 1.00 1.43 N ATOM 712 CZ ARG A 46 4.693 11.203 -1.668 1.00 14.52 C ATOM 713 NH1 ARG A 46 4.391 11.824 -2.769 1.00 54.34 N ATOM 714 NH2 ARG A 46 5.680 11.637 -0.950 1.00 22.31 N ATOM 0 H ARG A 46 -1.963 8.800 -2.915 1.00 24.13 H new ATOM 0 HA ARG A 46 -0.885 8.684 -0.197 1.00 34.13 H new ATOM 0 HB2 ARG A 46 0.546 8.035 -2.113 1.00 22.23 H new ATOM 0 HB3 ARG A 46 0.287 9.595 -2.867 1.00 22.23 H new ATOM 0 HG2 ARG A 46 1.402 10.683 -0.878 1.00 1.54 H new ATOM 0 HG3 ARG A 46 1.753 9.087 -0.248 1.00 1.54 H new ATOM 0 HD2 ARG A 46 3.067 8.564 -2.302 1.00 23.44 H new ATOM 0 HD3 ARG A 46 2.714 10.159 -2.934 1.00 23.44 H new ATOM 0 HE ARG A 46 4.340 9.648 -0.460 1.00 1.43 H new ATOM 0 HH11 ARG A 46 3.630 11.481 -3.356 1.00 54.34 H new ATOM 0 HH12 ARG A 46 4.915 12.654 -3.046 1.00 54.34 H new ATOM 0 HH21 ARG A 46 5.942 11.147 -0.095 1.00 22.31 H new ATOM 0 HH22 ARG A 46 6.195 12.468 -1.240 1.00 22.31 H new ATOM 728 N LYS A 47 -0.975 11.086 0.503 1.00 52.31 N ATOM 729 CA LYS A 47 -1.034 12.488 0.942 1.00 1.15 C ATOM 730 C LYS A 47 0.188 12.873 1.794 1.00 62.44 C ATOM 731 O LYS A 47 0.743 12.051 2.525 1.00 73.20 O ATOM 732 CB LYS A 47 -2.329 12.767 1.724 1.00 24.21 C ATOM 733 CG LYS A 47 -3.596 12.716 0.869 1.00 5.03 C ATOM 734 CD LYS A 47 -4.824 13.186 1.647 1.00 74.33 C ATOM 735 CE LYS A 47 -4.695 14.642 2.097 1.00 65.23 C ATOM 736 NZ LYS A 47 -4.642 15.588 0.947 1.00 55.44 N ATOM 0 H LYS A 47 -0.796 10.419 1.254 1.00 52.31 H new ATOM 0 HA LYS A 47 -1.025 13.103 0.042 1.00 1.15 H new ATOM 0 HB2 LYS A 47 -2.418 12.039 2.531 1.00 24.21 H new ATOM 0 HB3 LYS A 47 -2.256 13.750 2.188 1.00 24.21 H new ATOM 0 HG2 LYS A 47 -3.464 13.341 -0.014 1.00 5.03 H new ATOM 0 HG3 LYS A 47 -3.757 11.697 0.517 1.00 5.03 H new ATOM 0 HD2 LYS A 47 -5.712 13.077 1.024 1.00 74.33 H new ATOM 0 HD3 LYS A 47 -4.966 12.548 2.519 1.00 74.33 H new ATOM 0 HE2 LYS A 47 -5.540 14.898 2.736 1.00 65.23 H new ATOM 0 HE3 LYS A 47 -3.794 14.755 2.699 1.00 65.23 H new ATOM 0 HZ1 LYS A 47 -4.657 16.566 1.301 1.00 55.44 H new ATOM 0 HZ2 LYS A 47 -3.768 15.429 0.407 1.00 55.44 H new ATOM 0 HZ3 LYS A 47 -5.464 15.431 0.330 1.00 55.44 H new ATOM 750 N ILE A 48 0.589 14.138 1.685 1.00 65.11 N ATOM 751 CA ILE A 48 1.748 14.678 2.414 1.00 71.52 C ATOM 752 C ILE A 48 1.768 16.217 2.317 1.00 23.13 C ATOM 753 O ILE A 48 2.057 16.914 3.289 1.00 22.03 O ATOM 754 CB ILE A 48 3.085 14.092 1.871 1.00 35.21 C ATOM 755 CG1 ILE A 48 4.287 14.688 2.625 1.00 24.05 C ATOM 756 CG2 ILE A 48 3.212 14.324 0.363 1.00 2.43 C ATOM 757 CD1 ILE A 48 5.629 14.159 2.157 1.00 2.04 C ATOM 0 H ILE A 48 0.123 14.823 1.090 1.00 65.11 H new ATOM 0 HA ILE A 48 1.651 14.384 3.459 1.00 71.52 H new ATOM 0 HB ILE A 48 3.078 13.016 2.043 1.00 35.21 H new ATOM 0 HG12 ILE A 48 4.275 15.772 2.510 1.00 24.05 H new ATOM 0 HG13 ILE A 48 4.176 14.479 3.689 1.00 24.05 H new ATOM 0 HG21 ILE A 48 4.154 13.906 0.009 1.00 2.43 H new ATOM 0 HG22 ILE A 48 2.383 13.838 -0.151 1.00 2.43 H new ATOM 0 HG23 ILE A 48 3.190 15.394 0.156 1.00 2.43 H new ATOM 0 HD11 ILE A 48 6.426 14.626 2.736 1.00 2.04 H new ATOM 0 HD12 ILE A 48 5.663 13.079 2.298 1.00 2.04 H new ATOM 0 HD13 ILE A 48 5.763 14.392 1.101 1.00 2.04 H new ATOM 769 N GLY A 49 1.447 16.727 1.130 1.00 75.12 N ATOM 770 CA GLY A 49 1.306 18.164 0.923 1.00 34.54 C ATOM 771 C GLY A 49 0.106 18.496 0.041 1.00 51.42 C ATOM 772 O GLY A 49 -0.852 17.723 -0.019 1.00 50.43 O ATOM 0 H GLY A 49 1.280 16.164 0.296 1.00 75.12 H new ATOM 0 HA2 GLY A 49 1.197 18.661 1.887 1.00 34.54 H new ATOM 0 HA3 GLY A 49 2.214 18.556 0.464 1.00 34.54 H new ATOM 776 N ASP A 50 0.154 19.636 -0.651 1.00 72.14 N ATOM 777 CA ASP A 50 -0.928 20.034 -1.565 1.00 73.34 C ATOM 778 C ASP A 50 -0.954 19.158 -2.835 1.00 71.13 C ATOM 779 O ASP A 50 -0.586 19.601 -3.927 1.00 12.34 O ATOM 780 CB ASP A 50 -0.790 21.516 -1.939 1.00 52.42 C ATOM 781 CG ASP A 50 -0.978 22.431 -0.743 1.00 44.32 C ATOM 782 OD1 ASP A 50 -2.134 22.822 -0.468 1.00 2.22 O ATOM 783 OD2 ASP A 50 0.023 22.757 -0.071 1.00 64.41 O ATOM 0 H ASP A 50 0.926 20.301 -0.599 1.00 72.14 H new ATOM 0 HA ASP A 50 -1.874 19.885 -1.044 1.00 73.34 H new ATOM 0 HB2 ASP A 50 0.194 21.688 -2.375 1.00 52.42 H new ATOM 0 HB3 ASP A 50 -1.525 21.766 -2.704 1.00 52.42 H new ATOM 788 N THR A 51 -1.374 17.906 -2.665 1.00 40.20 N ATOM 789 CA THR A 51 -1.463 16.935 -3.764 1.00 14.21 C ATOM 790 C THR A 51 -2.095 15.620 -3.286 1.00 74.54 C ATOM 791 O THR A 51 -2.183 15.360 -2.080 1.00 32.42 O ATOM 792 CB THR A 51 -0.073 16.625 -4.385 1.00 35.04 C ATOM 793 OG1 THR A 51 -0.207 15.648 -5.429 1.00 33.04 O ATOM 794 CG2 THR A 51 0.907 16.113 -3.331 1.00 13.30 C ATOM 0 H THR A 51 -1.664 17.531 -1.762 1.00 40.20 H new ATOM 0 HA THR A 51 -2.092 17.392 -4.528 1.00 14.21 H new ATOM 0 HB THR A 51 0.321 17.554 -4.798 1.00 35.04 H new ATOM 0 HG1 THR A 51 0.673 15.460 -5.816 1.00 33.04 H new ATOM 0 HG21 THR A 51 1.869 15.906 -3.799 1.00 13.30 H new ATOM 0 HG22 THR A 51 1.036 16.869 -2.556 1.00 13.30 H new ATOM 0 HG23 THR A 51 0.516 15.199 -2.885 1.00 13.30 H new ATOM 802 N SER A 52 -2.532 14.794 -4.231 1.00 25.24 N ATOM 803 CA SER A 52 -3.154 13.502 -3.909 1.00 70.43 C ATOM 804 C SER A 52 -3.185 12.578 -5.133 1.00 54.34 C ATOM 805 O SER A 52 -4.022 12.733 -6.026 1.00 2.24 O ATOM 806 CB SER A 52 -4.581 13.705 -3.365 1.00 14.11 C ATOM 807 OG SER A 52 -5.388 14.440 -4.274 1.00 61.43 O ATOM 0 H SER A 52 -2.469 14.991 -5.230 1.00 25.24 H new ATOM 0 HA SER A 52 -2.547 13.028 -3.138 1.00 70.43 H new ATOM 0 HB2 SER A 52 -5.039 12.735 -3.173 1.00 14.11 H new ATOM 0 HB3 SER A 52 -4.536 14.230 -2.411 1.00 14.11 H new ATOM 0 HG SER A 52 -5.205 14.142 -5.189 1.00 61.43 H new ATOM 813 N VAL A 53 -2.257 11.625 -5.175 1.00 43.21 N ATOM 814 CA VAL A 53 -2.171 10.663 -6.282 1.00 62.51 C ATOM 815 C VAL A 53 -2.783 9.303 -5.893 1.00 1.31 C ATOM 816 O VAL A 53 -2.670 8.866 -4.747 1.00 64.04 O ATOM 817 CB VAL A 53 -0.695 10.471 -6.730 1.00 2.44 C ATOM 818 CG1 VAL A 53 0.176 10.040 -5.551 1.00 25.25 C ATOM 819 CG2 VAL A 53 -0.589 9.473 -7.885 1.00 14.35 C ATOM 0 H VAL A 53 -1.548 11.494 -4.453 1.00 43.21 H new ATOM 0 HA VAL A 53 -2.744 11.070 -7.115 1.00 62.51 H new ATOM 0 HB VAL A 53 -0.328 11.431 -7.091 1.00 2.44 H new ATOM 0 HG11 VAL A 53 1.205 9.911 -5.887 1.00 25.25 H new ATOM 0 HG12 VAL A 53 0.141 10.804 -4.774 1.00 25.25 H new ATOM 0 HG13 VAL A 53 -0.195 9.097 -5.150 1.00 25.25 H new ATOM 0 HG21 VAL A 53 0.456 9.361 -8.175 1.00 14.35 H new ATOM 0 HG22 VAL A 53 -0.983 8.507 -7.569 1.00 14.35 H new ATOM 0 HG23 VAL A 53 -1.164 9.839 -8.736 1.00 14.35 H new ATOM 829 N SER A 54 -3.432 8.646 -6.857 1.00 53.33 N ATOM 830 CA SER A 54 -4.114 7.362 -6.613 1.00 3.34 C ATOM 831 C SER A 54 -3.385 6.178 -7.273 1.00 23.31 C ATOM 832 O SER A 54 -2.606 6.350 -8.210 1.00 42.24 O ATOM 833 CB SER A 54 -5.559 7.411 -7.139 1.00 24.10 C ATOM 834 OG SER A 54 -6.380 8.271 -6.359 1.00 52.12 O ATOM 0 H SER A 54 -3.503 8.979 -7.819 1.00 53.33 H new ATOM 0 HA SER A 54 -4.111 7.208 -5.534 1.00 3.34 H new ATOM 0 HB2 SER A 54 -5.557 7.752 -8.174 1.00 24.10 H new ATOM 0 HB3 SER A 54 -5.981 6.406 -7.136 1.00 24.10 H new ATOM 0 HG SER A 54 -7.234 7.828 -6.172 1.00 52.12 H new ATOM 840 N TYR A 55 -3.649 4.972 -6.765 1.00 4.22 N ATOM 841 CA TYR A 55 -3.106 3.736 -7.345 1.00 22.15 C ATOM 842 C TYR A 55 -4.068 2.557 -7.140 1.00 22.21 C ATOM 843 O TYR A 55 -4.244 2.076 -6.021 1.00 11.20 O ATOM 844 CB TYR A 55 -1.741 3.404 -6.724 1.00 61.02 C ATOM 845 CG TYR A 55 -1.146 2.083 -7.197 1.00 14.13 C ATOM 846 CD1 TYR A 55 -0.757 1.906 -8.521 1.00 34.53 C ATOM 847 CD2 TYR A 55 -0.960 1.020 -6.314 1.00 53.01 C ATOM 848 CE1 TYR A 55 -0.203 0.714 -8.952 1.00 22.41 C ATOM 849 CE2 TYR A 55 -0.409 -0.176 -6.739 1.00 23.30 C ATOM 850 CZ TYR A 55 -0.031 -0.325 -8.057 1.00 73.11 C ATOM 851 OH TYR A 55 0.528 -1.513 -8.482 1.00 32.53 O ATOM 0 H TYR A 55 -4.240 4.822 -5.947 1.00 4.22 H new ATOM 0 HA TYR A 55 -2.983 3.900 -8.416 1.00 22.15 H new ATOM 0 HB2 TYR A 55 -1.043 4.208 -6.956 1.00 61.02 H new ATOM 0 HB3 TYR A 55 -1.845 3.376 -5.639 1.00 61.02 H new ATOM 0 HD1 TYR A 55 -0.890 2.714 -9.225 1.00 34.53 H new ATOM 0 HD2 TYR A 55 -1.251 1.132 -5.280 1.00 53.01 H new ATOM 0 HE1 TYR A 55 0.094 0.596 -9.984 1.00 22.41 H new ATOM 0 HE2 TYR A 55 -0.275 -0.990 -6.041 1.00 23.30 H new ATOM 0 HH TYR A 55 1.434 -1.347 -8.816 1.00 32.53 H new ATOM 861 N LYS A 56 -4.696 2.098 -8.219 1.00 71.33 N ATOM 862 CA LYS A 56 -5.600 0.946 -8.148 1.00 3.25 C ATOM 863 C LYS A 56 -4.818 -0.369 -8.034 1.00 52.23 C ATOM 864 O LYS A 56 -3.877 -0.614 -8.793 1.00 62.45 O ATOM 865 CB LYS A 56 -6.507 0.891 -9.385 1.00 70.41 C ATOM 866 CG LYS A 56 -7.474 -0.295 -9.380 1.00 43.34 C ATOM 867 CD LYS A 56 -8.283 -0.393 -10.672 1.00 72.10 C ATOM 868 CE LYS A 56 -7.391 -0.598 -11.890 1.00 20.45 C ATOM 869 NZ LYS A 56 -8.182 -0.748 -13.139 1.00 22.30 N ATOM 0 H LYS A 56 -4.599 2.502 -9.151 1.00 71.33 H new ATOM 0 HA LYS A 56 -6.213 1.069 -7.255 1.00 3.25 H new ATOM 0 HB2 LYS A 56 -7.080 1.816 -9.447 1.00 70.41 H new ATOM 0 HB3 LYS A 56 -5.886 0.840 -10.279 1.00 70.41 H new ATOM 0 HG2 LYS A 56 -6.912 -1.218 -9.236 1.00 43.34 H new ATOM 0 HG3 LYS A 56 -8.155 -0.201 -8.534 1.00 43.34 H new ATOM 0 HD2 LYS A 56 -8.989 -1.220 -10.596 1.00 72.10 H new ATOM 0 HD3 LYS A 56 -8.870 0.516 -10.802 1.00 72.10 H new ATOM 0 HE2 LYS A 56 -6.713 0.249 -11.990 1.00 20.45 H new ATOM 0 HE3 LYS A 56 -6.774 -1.484 -11.743 1.00 20.45 H new ATOM 0 HZ1 LYS A 56 -7.538 -0.885 -13.944 1.00 22.30 H new ATOM 0 HZ2 LYS A 56 -8.811 -1.572 -13.055 1.00 22.30 H new ATOM 0 HZ3 LYS A 56 -8.752 0.108 -13.294 1.00 22.30 H new ATOM 883 N TYR A 57 -5.214 -1.214 -7.089 1.00 62.11 N ATOM 884 CA TYR A 57 -4.612 -2.540 -6.931 1.00 12.32 C ATOM 885 C TYR A 57 -5.174 -3.521 -7.972 1.00 11.22 C ATOM 886 O TYR A 57 -6.386 -3.739 -8.047 1.00 70.33 O ATOM 887 CB TYR A 57 -4.853 -3.065 -5.509 1.00 51.12 C ATOM 888 CG TYR A 57 -4.125 -2.271 -4.435 1.00 33.34 C ATOM 889 CD1 TYR A 57 -4.587 -1.024 -4.029 1.00 24.34 C ATOM 890 CD2 TYR A 57 -2.969 -2.764 -3.836 1.00 53.43 C ATOM 891 CE1 TYR A 57 -3.928 -0.298 -3.059 1.00 21.10 C ATOM 892 CE2 TYR A 57 -2.306 -2.040 -2.863 1.00 14.04 C ATOM 893 CZ TYR A 57 -2.788 -0.808 -2.480 1.00 14.53 C ATOM 894 OH TYR A 57 -2.132 -0.083 -1.514 1.00 33.52 O ATOM 0 H TYR A 57 -5.952 -1.007 -6.416 1.00 62.11 H new ATOM 0 HA TYR A 57 -3.538 -2.454 -7.094 1.00 12.32 H new ATOM 0 HB2 TYR A 57 -5.923 -3.047 -5.300 1.00 51.12 H new ATOM 0 HB3 TYR A 57 -4.536 -4.107 -5.457 1.00 51.12 H new ATOM 0 HD1 TYR A 57 -5.479 -0.616 -4.482 1.00 24.34 H new ATOM 0 HD2 TYR A 57 -2.584 -3.727 -4.136 1.00 53.43 H new ATOM 0 HE1 TYR A 57 -4.305 0.667 -2.755 1.00 21.10 H new ATOM 0 HE2 TYR A 57 -1.413 -2.439 -2.405 1.00 14.04 H new ATOM 0 HH TYR A 57 -1.178 -0.033 -1.734 1.00 33.52 H new ATOM 904 N THR A 58 -4.288 -4.094 -8.781 1.00 41.31 N ATOM 905 CA THR A 58 -4.696 -5.004 -9.862 1.00 13.42 C ATOM 906 C THR A 58 -5.016 -6.413 -9.349 1.00 63.22 C ATOM 907 O THR A 58 -4.550 -6.824 -8.287 1.00 0.43 O ATOM 908 CB THR A 58 -3.612 -5.116 -10.958 1.00 24.04 C ATOM 909 OG1 THR A 58 -3.993 -6.103 -11.930 1.00 34.01 O ATOM 910 CG2 THR A 58 -2.252 -5.478 -10.364 1.00 44.02 C ATOM 0 H THR A 58 -3.281 -3.948 -8.714 1.00 41.31 H new ATOM 0 HA THR A 58 -5.600 -4.566 -10.285 1.00 13.42 H new ATOM 0 HB THR A 58 -3.525 -4.142 -11.440 1.00 24.04 H new ATOM 0 HG1 THR A 58 -3.301 -6.166 -12.621 1.00 34.01 H new ATOM 0 HG21 THR A 58 -1.513 -5.549 -11.162 1.00 44.02 H new ATOM 0 HG22 THR A 58 -1.948 -4.708 -9.655 1.00 44.02 H new ATOM 0 HG23 THR A 58 -2.323 -6.436 -9.850 1.00 44.02 H new ATOM 918 N SER A 59 -5.804 -7.159 -10.126 1.00 40.34 N ATOM 919 CA SER A 59 -6.202 -8.526 -9.753 1.00 54.41 C ATOM 920 C SER A 59 -5.426 -9.578 -10.557 1.00 50.21 C ATOM 921 O SER A 59 -5.886 -10.711 -10.713 1.00 14.23 O ATOM 922 CB SER A 59 -7.713 -8.723 -9.972 1.00 61.14 C ATOM 923 OG SER A 59 -8.161 -9.962 -9.442 1.00 3.32 O ATOM 0 H SER A 59 -6.182 -6.843 -11.019 1.00 40.34 H new ATOM 0 HA SER A 59 -5.966 -8.658 -8.697 1.00 54.41 H new ATOM 0 HB2 SER A 59 -8.259 -7.906 -9.500 1.00 61.14 H new ATOM 0 HB3 SER A 59 -7.935 -8.681 -11.038 1.00 61.14 H new ATOM 0 HG SER A 59 -7.487 -10.653 -9.610 1.00 3.32 H new ATOM 929 N ARG A 60 -4.243 -9.210 -11.063 1.00 34.04 N ATOM 930 CA ARG A 60 -3.416 -10.148 -11.838 1.00 33.21 C ATOM 931 C ARG A 60 -3.073 -11.411 -11.022 1.00 34.32 C ATOM 932 O ARG A 60 -2.879 -12.491 -11.581 1.00 50.24 O ATOM 933 CB ARG A 60 -2.128 -9.477 -12.352 1.00 64.25 C ATOM 934 CG ARG A 60 -1.175 -8.998 -11.262 1.00 71.43 C ATOM 935 CD ARG A 60 0.216 -8.724 -11.826 1.00 14.33 C ATOM 936 NE ARG A 60 0.811 -9.935 -12.393 1.00 74.32 N ATOM 937 CZ ARG A 60 1.905 -9.971 -13.104 1.00 22.23 C ATOM 938 NH1 ARG A 60 2.552 -8.885 -13.397 1.00 2.25 N ATOM 939 NH2 ARG A 60 2.347 -11.109 -13.531 1.00 31.25 N ATOM 0 H ARG A 60 -3.838 -8.280 -10.953 1.00 34.04 H new ATOM 0 HA ARG A 60 -4.009 -10.452 -12.701 1.00 33.21 H new ATOM 0 HB2 ARG A 60 -1.599 -10.182 -12.993 1.00 64.25 H new ATOM 0 HB3 ARG A 60 -2.403 -8.625 -12.974 1.00 64.25 H new ATOM 0 HG2 ARG A 60 -1.569 -8.091 -10.803 1.00 71.43 H new ATOM 0 HG3 ARG A 60 -1.110 -9.750 -10.476 1.00 71.43 H new ATOM 0 HD2 ARG A 60 0.153 -7.954 -12.595 1.00 14.33 H new ATOM 0 HD3 ARG A 60 0.860 -8.336 -11.037 1.00 14.33 H new ATOM 0 HE ARG A 60 0.334 -10.819 -12.219 1.00 74.32 H new ATOM 0 HH11 ARG A 60 2.207 -7.982 -13.070 1.00 2.25 H new ATOM 0 HH12 ARG A 60 3.405 -8.934 -13.954 1.00 2.25 H new ATOM 0 HH21 ARG A 60 1.842 -11.967 -13.311 1.00 31.25 H new ATOM 0 HH22 ARG A 60 3.201 -11.148 -14.087 1.00 31.25 H new ATOM 953 N TYR A 61 -2.987 -11.264 -9.700 1.00 4.11 N ATOM 954 CA TYR A 61 -2.841 -12.413 -8.801 1.00 71.23 C ATOM 955 C TYR A 61 -3.632 -12.172 -7.509 1.00 63.12 C ATOM 956 O TYR A 61 -3.914 -11.028 -7.142 1.00 0.14 O ATOM 957 CB TYR A 61 -1.358 -12.710 -8.494 1.00 53.31 C ATOM 958 CG TYR A 61 -0.672 -11.724 -7.558 1.00 32.34 C ATOM 959 CD1 TYR A 61 -0.096 -10.553 -8.039 1.00 50.11 C ATOM 960 CD2 TYR A 61 -0.581 -11.984 -6.192 1.00 13.30 C ATOM 961 CE1 TYR A 61 0.540 -9.667 -7.186 1.00 12.01 C ATOM 962 CE2 TYR A 61 0.054 -11.105 -5.336 1.00 3.43 C ATOM 963 CZ TYR A 61 0.616 -9.950 -5.837 1.00 21.21 C ATOM 964 OH TYR A 61 1.254 -9.075 -4.986 1.00 70.22 O ATOM 0 H TYR A 61 -3.016 -10.361 -9.226 1.00 4.11 H new ATOM 0 HA TYR A 61 -3.247 -13.291 -9.303 1.00 71.23 H new ATOM 0 HB2 TYR A 61 -1.288 -13.707 -8.058 1.00 53.31 H new ATOM 0 HB3 TYR A 61 -0.808 -12.734 -9.435 1.00 53.31 H new ATOM 0 HD1 TYR A 61 -0.146 -10.331 -9.095 1.00 50.11 H new ATOM 0 HD2 TYR A 61 -1.015 -12.890 -5.795 1.00 13.30 H new ATOM 0 HE1 TYR A 61 0.975 -8.758 -7.575 1.00 12.01 H new ATOM 0 HE2 TYR A 61 0.110 -11.322 -4.279 1.00 3.43 H new ATOM 0 HH TYR A 61 1.217 -9.423 -4.071 1.00 70.22 H new ATOM 974 N VAL A 62 -4.002 -13.252 -6.832 1.00 5.33 N ATOM 975 CA VAL A 62 -4.835 -13.166 -5.632 1.00 72.52 C ATOM 976 C VAL A 62 -3.981 -12.990 -4.361 1.00 42.22 C ATOM 977 O VAL A 62 -2.927 -13.614 -4.217 1.00 54.51 O ATOM 978 CB VAL A 62 -5.726 -14.424 -5.498 1.00 73.42 C ATOM 979 CG1 VAL A 62 -6.788 -14.222 -4.423 1.00 61.42 C ATOM 980 CG2 VAL A 62 -6.371 -14.775 -6.841 1.00 5.01 C ATOM 0 H VAL A 62 -3.739 -14.202 -7.092 1.00 5.33 H new ATOM 0 HA VAL A 62 -5.470 -12.287 -5.738 1.00 72.52 H new ATOM 0 HB VAL A 62 -5.094 -15.259 -5.196 1.00 73.42 H new ATOM 0 HG11 VAL A 62 -7.403 -15.119 -4.346 1.00 61.42 H new ATOM 0 HG12 VAL A 62 -6.304 -14.030 -3.465 1.00 61.42 H new ATOM 0 HG13 VAL A 62 -7.417 -13.372 -4.688 1.00 61.42 H new ATOM 0 HG21 VAL A 62 -6.993 -15.662 -6.725 1.00 5.01 H new ATOM 0 HG22 VAL A 62 -6.987 -13.941 -7.178 1.00 5.01 H new ATOM 0 HG23 VAL A 62 -5.593 -14.972 -7.578 1.00 5.01 H new ATOM 990 N LEU A 63 -4.445 -12.140 -3.442 1.00 32.01 N ATOM 991 CA LEU A 63 -3.691 -11.801 -2.225 1.00 42.00 C ATOM 992 C LEU A 63 -3.928 -12.848 -1.117 1.00 44.02 C ATOM 993 O LEU A 63 -4.975 -12.859 -0.471 1.00 70.41 O ATOM 994 CB LEU A 63 -4.098 -10.392 -1.739 1.00 64.35 C ATOM 995 CG LEU A 63 -2.943 -9.483 -1.280 1.00 42.23 C ATOM 996 CD1 LEU A 63 -2.202 -10.086 -0.091 1.00 53.12 C ATOM 997 CD2 LEU A 63 -1.981 -9.212 -2.438 1.00 50.11 C ATOM 0 H LEU A 63 -5.347 -11.669 -3.516 1.00 32.01 H new ATOM 0 HA LEU A 63 -2.627 -11.804 -2.460 1.00 42.00 H new ATOM 0 HB2 LEU A 63 -4.632 -9.890 -2.546 1.00 64.35 H new ATOM 0 HB3 LEU A 63 -4.800 -10.502 -0.912 1.00 64.35 H new ATOM 0 HG LEU A 63 -3.371 -8.534 -0.957 1.00 42.23 H new ATOM 0 HD11 LEU A 63 -1.393 -9.420 0.209 1.00 53.12 H new ATOM 0 HD12 LEU A 63 -2.894 -10.214 0.742 1.00 53.12 H new ATOM 0 HD13 LEU A 63 -1.789 -11.055 -0.373 1.00 53.12 H new ATOM 0 HD21 LEU A 63 -1.171 -8.568 -2.095 1.00 50.11 H new ATOM 0 HD22 LEU A 63 -1.568 -10.155 -2.796 1.00 50.11 H new ATOM 0 HD23 LEU A 63 -2.517 -8.720 -3.249 1.00 50.11 H new ATOM 1009 N LYS A 64 -2.940 -13.713 -0.899 1.00 65.42 N ATOM 1010 CA LYS A 64 -3.070 -14.843 0.036 1.00 51.24 C ATOM 1011 C LYS A 64 -3.225 -14.410 1.506 1.00 31.44 C ATOM 1012 O LYS A 64 -3.029 -13.244 1.860 1.00 52.40 O ATOM 1013 CB LYS A 64 -1.856 -15.767 -0.100 1.00 41.45 C ATOM 1014 CG LYS A 64 -1.715 -16.381 -1.485 1.00 15.10 C ATOM 1015 CD LYS A 64 -0.558 -17.372 -1.557 1.00 33.41 C ATOM 1016 CE LYS A 64 -0.564 -18.134 -2.874 1.00 63.44 C ATOM 1017 NZ LYS A 64 -1.817 -18.919 -3.056 1.00 61.23 N ATOM 0 H LYS A 64 -2.031 -13.657 -1.358 1.00 65.42 H new ATOM 0 HA LYS A 64 -3.987 -15.366 -0.235 1.00 51.24 H new ATOM 0 HB2 LYS A 64 -0.952 -15.204 0.133 1.00 41.45 H new ATOM 0 HB3 LYS A 64 -1.933 -16.566 0.637 1.00 41.45 H new ATOM 0 HG2 LYS A 64 -2.643 -16.887 -1.753 1.00 15.10 H new ATOM 0 HG3 LYS A 64 -1.560 -15.589 -2.218 1.00 15.10 H new ATOM 0 HD2 LYS A 64 0.387 -16.840 -1.447 1.00 33.41 H new ATOM 0 HD3 LYS A 64 -0.627 -18.075 -0.727 1.00 33.41 H new ATOM 0 HE2 LYS A 64 -0.452 -17.432 -3.700 1.00 63.44 H new ATOM 0 HE3 LYS A 64 0.294 -18.806 -2.909 1.00 63.44 H new ATOM 0 HZ1 LYS A 64 -1.740 -19.502 -3.914 1.00 61.23 H new ATOM 0 HZ2 LYS A 64 -1.964 -19.535 -2.231 1.00 61.23 H new ATOM 0 HZ3 LYS A 64 -2.623 -18.269 -3.151 1.00 61.23 H new ATOM 1031 N ALA A 65 -3.577 -15.377 2.357 1.00 2.53 N ATOM 1032 CA ALA A 65 -3.741 -15.136 3.795 1.00 34.14 C ATOM 1033 C ALA A 65 -2.380 -14.982 4.489 1.00 1.52 C ATOM 1034 O ALA A 65 -1.485 -15.812 4.321 1.00 3.32 O ATOM 1035 CB ALA A 65 -4.534 -16.272 4.434 1.00 73.32 C ATOM 0 H ALA A 65 -3.755 -16.341 2.074 1.00 2.53 H new ATOM 0 HA ALA A 65 -4.292 -14.204 3.921 1.00 34.14 H new ATOM 0 HB1 ALA A 65 -4.648 -16.081 5.501 1.00 73.32 H new ATOM 0 HB2 ALA A 65 -5.518 -16.335 3.969 1.00 73.32 H new ATOM 0 HB3 ALA A 65 -4.003 -17.213 4.289 1.00 73.32 H new ATOM 1041 N GLY A 66 -2.225 -13.913 5.264 1.00 72.11 N ATOM 1042 CA GLY A 66 -0.948 -13.637 5.916 1.00 60.44 C ATOM 1043 C GLY A 66 0.112 -13.122 4.945 1.00 32.23 C ATOM 1044 O GLY A 66 1.286 -13.002 5.299 1.00 64.12 O ATOM 0 H GLY A 66 -2.958 -13.230 5.455 1.00 72.11 H new ATOM 0 HA2 GLY A 66 -1.100 -12.901 6.705 1.00 60.44 H new ATOM 0 HA3 GLY A 66 -0.585 -14.547 6.394 1.00 60.44 H new ATOM 1048 N GLN A 67 -0.305 -12.818 3.716 1.00 62.23 N ATOM 1049 CA GLN A 67 0.605 -12.321 2.683 1.00 21.11 C ATOM 1050 C GLN A 67 0.867 -10.818 2.847 1.00 0.13 C ATOM 1051 O GLN A 67 -0.056 -10.000 2.770 1.00 51.42 O ATOM 1052 CB GLN A 67 0.022 -12.596 1.289 1.00 5.44 C ATOM 1053 CG GLN A 67 0.863 -12.055 0.132 1.00 0.15 C ATOM 1054 CD GLN A 67 2.212 -12.741 0.006 1.00 41.43 C ATOM 1055 OE1 GLN A 67 2.347 -13.748 -0.677 1.00 30.00 O ATOM 1056 NE2 GLN A 67 3.225 -12.194 0.646 1.00 0.04 N ATOM 0 H GLN A 67 -1.274 -12.908 3.410 1.00 62.23 H new ATOM 0 HA GLN A 67 1.553 -12.847 2.791 1.00 21.11 H new ATOM 0 HB2 GLN A 67 -0.095 -13.672 1.164 1.00 5.44 H new ATOM 0 HB3 GLN A 67 -0.975 -12.158 1.233 1.00 5.44 H new ATOM 0 HG2 GLN A 67 0.311 -12.178 -0.800 1.00 0.15 H new ATOM 0 HG3 GLN A 67 1.018 -10.985 0.272 1.00 0.15 H new ATOM 0 HE21 GLN A 67 3.080 -11.355 1.207 1.00 0.04 H new ATOM 0 HE22 GLN A 67 4.154 -12.610 0.580 1.00 0.04 H new ATOM 1065 N THR A 68 2.124 -10.461 3.086 1.00 73.23 N ATOM 1066 CA THR A 68 2.529 -9.054 3.147 1.00 4.12 C ATOM 1067 C THR A 68 2.861 -8.516 1.749 1.00 62.40 C ATOM 1068 O THR A 68 3.967 -8.713 1.244 1.00 22.01 O ATOM 1069 CB THR A 68 3.757 -8.855 4.067 1.00 72.24 C ATOM 1070 OG1 THR A 68 4.843 -9.683 3.626 1.00 72.21 O ATOM 1071 CG2 THR A 68 3.417 -9.195 5.515 1.00 62.00 C ATOM 0 H THR A 68 2.883 -11.124 3.241 1.00 73.23 H new ATOM 0 HA THR A 68 1.685 -8.501 3.559 1.00 4.12 H new ATOM 0 HB THR A 68 4.050 -7.807 4.014 1.00 72.24 H new ATOM 0 HG1 THR A 68 4.885 -9.673 2.647 1.00 72.21 H new ATOM 0 HG21 THR A 68 4.298 -9.047 6.140 1.00 62.00 H new ATOM 0 HG22 THR A 68 2.612 -8.547 5.862 1.00 62.00 H new ATOM 0 HG23 THR A 68 3.098 -10.235 5.579 1.00 62.00 H new ATOM 1079 N VAL A 69 1.892 -7.859 1.115 1.00 23.43 N ATOM 1080 CA VAL A 69 2.104 -7.272 -0.213 1.00 55.43 C ATOM 1081 C VAL A 69 2.852 -5.932 -0.110 1.00 52.13 C ATOM 1082 O VAL A 69 2.386 -4.980 0.520 1.00 53.33 O ATOM 1083 CB VAL A 69 0.768 -7.091 -0.984 1.00 20.35 C ATOM 1084 CG1 VAL A 69 -0.237 -6.260 -0.185 1.00 71.42 C ATOM 1085 CG2 VAL A 69 1.017 -6.468 -2.357 1.00 60.33 C ATOM 0 H VAL A 69 0.956 -7.718 1.494 1.00 23.43 H new ATOM 0 HA VAL A 69 2.720 -7.971 -0.778 1.00 55.43 H new ATOM 0 HB VAL A 69 0.334 -8.081 -1.127 1.00 20.35 H new ATOM 0 HG11 VAL A 69 -1.159 -6.155 -0.757 1.00 71.42 H new ATOM 0 HG12 VAL A 69 -0.451 -6.758 0.760 1.00 71.42 H new ATOM 0 HG13 VAL A 69 0.182 -5.273 0.012 1.00 71.42 H new ATOM 0 HG21 VAL A 69 0.068 -6.350 -2.880 1.00 60.33 H new ATOM 0 HG22 VAL A 69 1.487 -5.492 -2.234 1.00 60.33 H new ATOM 0 HG23 VAL A 69 1.673 -7.117 -2.937 1.00 60.33 H new ATOM 1095 N THR A 70 4.024 -5.875 -0.723 1.00 33.32 N ATOM 1096 CA THR A 70 4.896 -4.704 -0.630 1.00 52.01 C ATOM 1097 C THR A 70 4.780 -3.812 -1.872 1.00 54.23 C ATOM 1098 O THR A 70 5.213 -4.185 -2.959 1.00 5.14 O ATOM 1099 CB THR A 70 6.373 -5.134 -0.455 1.00 11.03 C ATOM 1100 OG1 THR A 70 6.482 -6.103 0.600 1.00 33.22 O ATOM 1101 CG2 THR A 70 7.266 -3.943 -0.137 1.00 71.31 C ATOM 0 H THR A 70 4.400 -6.631 -1.296 1.00 33.32 H new ATOM 0 HA THR A 70 4.572 -4.135 0.242 1.00 52.01 H new ATOM 0 HB THR A 70 6.704 -5.572 -1.397 1.00 11.03 H new ATOM 0 HG1 THR A 70 7.419 -6.371 0.703 1.00 33.22 H new ATOM 0 HG21 THR A 70 8.296 -4.281 -0.021 1.00 71.31 H new ATOM 0 HG22 THR A 70 7.211 -3.220 -0.951 1.00 71.31 H new ATOM 0 HG23 THR A 70 6.931 -3.474 0.788 1.00 71.31 H new ATOM 1109 N ILE A 71 4.187 -2.635 -1.710 1.00 71.54 N ATOM 1110 CA ILE A 71 4.079 -1.677 -2.809 1.00 23.14 C ATOM 1111 C ILE A 71 5.438 -1.014 -3.085 1.00 70.30 C ATOM 1112 O ILE A 71 5.824 -0.058 -2.410 1.00 72.33 O ATOM 1113 CB ILE A 71 3.014 -0.587 -2.521 1.00 64.14 C ATOM 1114 CG1 ILE A 71 1.637 -1.234 -2.295 1.00 12.35 C ATOM 1115 CG2 ILE A 71 2.960 0.428 -3.667 1.00 52.31 C ATOM 1116 CD1 ILE A 71 1.138 -2.034 -3.481 1.00 65.20 C ATOM 0 H ILE A 71 3.774 -2.320 -0.832 1.00 71.54 H new ATOM 0 HA ILE A 71 3.763 -2.234 -3.691 1.00 23.14 H new ATOM 0 HB ILE A 71 3.296 -0.055 -1.612 1.00 64.14 H new ATOM 0 HG12 ILE A 71 1.691 -1.887 -1.424 1.00 12.35 H new ATOM 0 HG13 ILE A 71 0.912 -0.453 -2.064 1.00 12.35 H new ATOM 0 HG21 ILE A 71 2.207 1.185 -3.447 1.00 52.31 H new ATOM 0 HG22 ILE A 71 3.934 0.905 -3.776 1.00 52.31 H new ATOM 0 HG23 ILE A 71 2.701 -0.083 -4.594 1.00 52.31 H new ATOM 0 HD11 ILE A 71 0.162 -2.460 -3.248 1.00 65.20 H new ATOM 0 HD12 ILE A 71 1.051 -1.381 -4.350 1.00 65.20 H new ATOM 0 HD13 ILE A 71 1.842 -2.837 -3.700 1.00 65.20 H new ATOM 1128 N TRP A 72 6.176 -1.556 -4.052 1.00 75.34 N ATOM 1129 CA TRP A 72 7.483 -1.004 -4.437 1.00 12.44 C ATOM 1130 C TRP A 72 7.315 0.216 -5.356 1.00 10.52 C ATOM 1131 O TRP A 72 6.614 0.143 -6.363 1.00 51.10 O ATOM 1132 CB TRP A 72 8.321 -2.071 -5.162 1.00 73.02 C ATOM 1133 CG TRP A 72 8.608 -3.300 -4.345 1.00 15.44 C ATOM 1134 CD1 TRP A 72 7.886 -4.459 -4.324 1.00 23.11 C ATOM 1135 CD2 TRP A 72 9.706 -3.494 -3.441 1.00 43.53 C ATOM 1136 NE1 TRP A 72 8.463 -5.360 -3.460 1.00 44.12 N ATOM 1137 CE2 TRP A 72 9.582 -4.792 -2.906 1.00 12.23 C ATOM 1138 CE3 TRP A 72 10.779 -2.698 -3.033 1.00 12.25 C ATOM 1139 CZ2 TRP A 72 10.491 -5.307 -1.983 1.00 51.03 C ATOM 1140 CZ3 TRP A 72 11.680 -3.211 -2.117 1.00 71.23 C ATOM 1141 CH2 TRP A 72 11.534 -4.504 -1.602 1.00 14.45 C ATOM 0 H TRP A 72 5.895 -2.378 -4.587 1.00 75.34 H new ATOM 0 HA TRP A 72 7.995 -0.694 -3.526 1.00 12.44 H new ATOM 0 HB2 TRP A 72 7.799 -2.369 -6.071 1.00 73.02 H new ATOM 0 HB3 TRP A 72 9.267 -1.625 -5.469 1.00 73.02 H new ATOM 0 HD1 TRP A 72 6.992 -4.641 -4.902 1.00 23.11 H new ATOM 0 HE1 TRP A 72 8.115 -6.298 -3.263 1.00 44.12 H new ATOM 0 HE3 TRP A 72 10.903 -1.700 -3.426 1.00 12.25 H new ATOM 0 HZ2 TRP A 72 10.377 -6.303 -1.582 1.00 51.03 H new ATOM 0 HZ3 TRP A 72 12.511 -2.602 -1.793 1.00 71.23 H new ATOM 0 HH2 TRP A 72 12.257 -4.876 -0.891 1.00 14.45 H new ATOM 1152 N ALA A 73 7.960 1.332 -5.017 1.00 55.02 N ATOM 1153 CA ALA A 73 7.878 2.550 -5.839 1.00 23.52 C ATOM 1154 C ALA A 73 8.415 2.309 -7.264 1.00 33.44 C ATOM 1155 O ALA A 73 9.135 1.341 -7.507 1.00 43.32 O ATOM 1156 CB ALA A 73 8.641 3.686 -5.170 1.00 3.41 C ATOM 0 H ALA A 73 8.543 1.423 -4.185 1.00 55.02 H new ATOM 0 HA ALA A 73 6.827 2.827 -5.924 1.00 23.52 H new ATOM 0 HB1 ALA A 73 8.574 4.582 -5.787 1.00 3.41 H new ATOM 0 HB2 ALA A 73 8.209 3.887 -4.190 1.00 3.41 H new ATOM 0 HB3 ALA A 73 9.687 3.403 -5.054 1.00 3.41 H new ATOM 1162 N ALA A 74 8.074 3.201 -8.202 1.00 72.14 N ATOM 1163 CA ALA A 74 8.495 3.056 -9.613 1.00 31.12 C ATOM 1164 C ALA A 74 10.009 2.798 -9.767 1.00 62.21 C ATOM 1165 O ALA A 74 10.445 2.191 -10.747 1.00 5.44 O ATOM 1166 CB ALA A 74 8.093 4.290 -10.416 1.00 61.31 C ATOM 0 H ALA A 74 7.510 4.030 -8.017 1.00 72.14 H new ATOM 0 HA ALA A 74 7.981 2.177 -10.002 1.00 31.12 H new ATOM 0 HB1 ALA A 74 8.409 4.169 -11.452 1.00 61.31 H new ATOM 0 HB2 ALA A 74 7.010 4.411 -10.379 1.00 61.31 H new ATOM 0 HB3 ALA A 74 8.572 5.172 -9.991 1.00 61.31 H new ATOM 1172 N ASN A 75 10.804 3.248 -8.794 1.00 30.32 N ATOM 1173 CA ASN A 75 12.261 3.033 -8.813 1.00 74.23 C ATOM 1174 C ASN A 75 12.651 1.726 -8.091 1.00 25.00 C ATOM 1175 O ASN A 75 13.759 1.598 -7.568 1.00 74.54 O ATOM 1176 CB ASN A 75 12.979 4.225 -8.162 1.00 3.03 C ATOM 1177 CG ASN A 75 12.695 5.536 -8.875 1.00 31.23 C ATOM 1178 OD1 ASN A 75 12.383 5.558 -10.059 1.00 42.44 O ATOM 1179 ND2 ASN A 75 12.808 6.638 -8.163 1.00 62.52 N ATOM 0 H ASN A 75 10.468 3.764 -7.981 1.00 30.32 H new ATOM 0 HA ASN A 75 12.571 2.947 -9.854 1.00 74.23 H new ATOM 0 HB2 ASN A 75 12.669 4.307 -7.120 1.00 3.03 H new ATOM 0 HB3 ASN A 75 14.053 4.041 -8.161 1.00 3.03 H new ATOM 0 HD21 ASN A 75 12.634 7.545 -8.596 1.00 62.52 H new ATOM 0 HD22 ASN A 75 13.070 6.585 -7.179 1.00 62.52 H new ATOM 1186 N ALA A 76 11.741 0.751 -8.090 1.00 52.22 N ATOM 1187 CA ALA A 76 11.968 -0.543 -7.432 1.00 25.34 C ATOM 1188 C ALA A 76 13.185 -1.292 -8.000 1.00 30.33 C ATOM 1189 O ALA A 76 13.902 -1.973 -7.268 1.00 0.15 O ATOM 1190 CB ALA A 76 10.722 -1.412 -7.553 1.00 1.41 C ATOM 0 H ALA A 76 10.830 0.832 -8.542 1.00 52.22 H new ATOM 0 HA ALA A 76 12.179 -0.336 -6.383 1.00 25.34 H new ATOM 0 HB1 ALA A 76 10.897 -2.370 -7.063 1.00 1.41 H new ATOM 0 HB2 ALA A 76 9.880 -0.909 -7.077 1.00 1.41 H new ATOM 0 HB3 ALA A 76 10.496 -1.579 -8.606 1.00 1.41 H new ATOM 1196 N GLY A 77 13.407 -1.175 -9.310 1.00 51.11 N ATOM 1197 CA GLY A 77 14.515 -1.879 -9.954 1.00 21.13 C ATOM 1198 C GLY A 77 14.227 -3.361 -10.200 1.00 63.55 C ATOM 1199 O GLY A 77 15.085 -4.097 -10.694 1.00 41.44 O ATOM 0 H GLY A 77 12.841 -0.606 -9.939 1.00 51.11 H new ATOM 0 HA2 GLY A 77 14.739 -1.397 -10.905 1.00 21.13 H new ATOM 0 HA3 GLY A 77 15.406 -1.787 -9.332 1.00 21.13 H new ATOM 1203 N VAL A 78 13.019 -3.801 -9.851 1.00 5.32 N ATOM 1204 CA VAL A 78 12.612 -5.202 -10.031 1.00 55.01 C ATOM 1205 C VAL A 78 11.540 -5.345 -11.127 1.00 50.23 C ATOM 1206 O VAL A 78 11.139 -4.364 -11.760 1.00 4.52 O ATOM 1207 CB VAL A 78 12.075 -5.810 -8.705 1.00 35.34 C ATOM 1208 CG1 VAL A 78 13.157 -5.798 -7.624 1.00 4.14 C ATOM 1209 CG2 VAL A 78 10.821 -5.074 -8.233 1.00 35.23 C ATOM 0 H VAL A 78 12.299 -3.207 -9.440 1.00 5.32 H new ATOM 0 HA VAL A 78 13.503 -5.749 -10.338 1.00 55.01 H new ATOM 0 HB VAL A 78 11.801 -6.847 -8.896 1.00 35.34 H new ATOM 0 HG11 VAL A 78 12.758 -6.228 -6.705 1.00 4.14 H new ATOM 0 HG12 VAL A 78 14.012 -6.386 -7.958 1.00 4.14 H new ATOM 0 HG13 VAL A 78 13.473 -4.772 -7.437 1.00 4.14 H new ATOM 0 HG21 VAL A 78 10.466 -5.519 -7.304 1.00 35.23 H new ATOM 0 HG22 VAL A 78 11.057 -4.023 -8.065 1.00 35.23 H new ATOM 0 HG23 VAL A 78 10.044 -5.154 -8.994 1.00 35.23 H new ATOM 1219 N THR A 79 11.087 -6.577 -11.351 1.00 13.35 N ATOM 1220 CA THR A 79 10.048 -6.859 -12.349 1.00 22.43 C ATOM 1221 C THR A 79 8.663 -6.429 -11.848 1.00 33.41 C ATOM 1222 O THR A 79 8.334 -6.614 -10.674 1.00 1.24 O ATOM 1223 CB THR A 79 10.002 -8.368 -12.697 1.00 43.55 C ATOM 1224 OG1 THR A 79 11.300 -8.826 -13.113 1.00 52.22 O ATOM 1225 CG2 THR A 79 8.991 -8.653 -13.803 1.00 11.51 C ATOM 0 H THR A 79 11.423 -7.402 -10.854 1.00 13.35 H new ATOM 0 HA THR A 79 10.304 -6.287 -13.241 1.00 22.43 H new ATOM 0 HB THR A 79 9.695 -8.902 -11.798 1.00 43.55 H new ATOM 0 HG1 THR A 79 11.256 -9.781 -13.328 1.00 52.22 H new ATOM 0 HG21 THR A 79 8.984 -9.721 -14.023 1.00 11.51 H new ATOM 0 HG22 THR A 79 7.998 -8.343 -13.477 1.00 11.51 H new ATOM 0 HG23 THR A 79 9.268 -8.100 -14.700 1.00 11.51 H new ATOM 1233 N ALA A 80 7.854 -5.851 -12.739 1.00 51.43 N ATOM 1234 CA ALA A 80 6.479 -5.460 -12.401 1.00 23.40 C ATOM 1235 C ALA A 80 5.622 -6.680 -12.015 1.00 51.32 C ATOM 1236 O ALA A 80 4.863 -7.209 -12.827 1.00 73.42 O ATOM 1237 CB ALA A 80 5.845 -4.695 -13.559 1.00 44.11 C ATOM 0 H ALA A 80 8.125 -5.643 -13.700 1.00 51.43 H new ATOM 0 HA ALA A 80 6.521 -4.804 -11.531 1.00 23.40 H new ATOM 0 HB1 ALA A 80 4.826 -4.412 -13.294 1.00 44.11 H new ATOM 0 HB2 ALA A 80 6.429 -3.798 -13.765 1.00 44.11 H new ATOM 0 HB3 ALA A 80 5.826 -5.328 -14.446 1.00 44.11 H new ATOM 1243 N SER A 81 5.788 -7.127 -10.769 1.00 51.20 N ATOM 1244 CA SER A 81 5.064 -8.284 -10.219 1.00 11.42 C ATOM 1245 C SER A 81 5.465 -9.600 -10.927 1.00 14.12 C ATOM 1246 O SER A 81 4.873 -9.989 -11.933 1.00 54.43 O ATOM 1247 CB SER A 81 3.541 -8.072 -10.287 1.00 32.20 C ATOM 1248 OG SER A 81 2.850 -9.018 -9.483 1.00 24.23 O ATOM 0 H SER A 81 6.432 -6.696 -10.105 1.00 51.20 H new ATOM 0 HA SER A 81 5.349 -8.372 -9.171 1.00 11.42 H new ATOM 0 HB2 SER A 81 3.297 -7.063 -9.955 1.00 32.20 H new ATOM 0 HB3 SER A 81 3.206 -8.157 -11.321 1.00 32.20 H new ATOM 0 HG SER A 81 2.913 -8.755 -8.541 1.00 24.23 H new ATOM 1254 N PRO A 82 6.506 -10.288 -10.402 1.00 31.42 N ATOM 1255 CA PRO A 82 7.017 -11.579 -10.949 1.00 72.21 C ATOM 1256 C PRO A 82 6.041 -12.803 -10.983 1.00 42.40 C ATOM 1257 O PRO A 82 6.180 -13.647 -11.873 1.00 41.13 O ATOM 1258 CB PRO A 82 8.216 -11.895 -10.037 1.00 34.30 C ATOM 1259 CG PRO A 82 8.614 -10.579 -9.463 1.00 33.42 C ATOM 1260 CD PRO A 82 7.333 -9.820 -9.275 1.00 71.02 C ATOM 0 HA PRO A 82 7.228 -11.441 -12.009 1.00 72.21 H new ATOM 0 HB2 PRO A 82 7.942 -12.602 -9.254 1.00 34.30 H new ATOM 0 HB3 PRO A 82 9.034 -12.345 -10.600 1.00 34.30 H new ATOM 0 HG2 PRO A 82 9.137 -10.706 -8.515 1.00 33.42 H new ATOM 0 HG3 PRO A 82 9.291 -10.047 -10.132 1.00 33.42 H new ATOM 0 HD2 PRO A 82 6.869 -10.042 -8.314 1.00 71.02 H new ATOM 0 HD3 PRO A 82 7.493 -8.742 -9.311 1.00 71.02 H new ATOM 1268 N PRO A 83 5.043 -12.966 -10.063 1.00 71.33 N ATOM 1269 CA PRO A 83 4.651 -12.007 -9.028 1.00 62.22 C ATOM 1270 C PRO A 83 5.237 -12.273 -7.629 1.00 71.30 C ATOM 1271 O PRO A 83 6.002 -13.212 -7.405 1.00 72.51 O ATOM 1272 CB PRO A 83 3.135 -12.204 -9.012 1.00 21.41 C ATOM 1273 CG PRO A 83 2.954 -13.675 -9.230 1.00 40.43 C ATOM 1274 CD PRO A 83 4.176 -14.158 -9.989 1.00 45.11 C ATOM 0 HA PRO A 83 5.012 -11.003 -9.251 1.00 62.22 H new ATOM 0 HB2 PRO A 83 2.702 -11.886 -8.064 1.00 21.41 H new ATOM 0 HB3 PRO A 83 2.649 -11.622 -9.796 1.00 21.41 H new ATOM 0 HG2 PRO A 83 2.858 -14.198 -8.279 1.00 40.43 H new ATOM 0 HG3 PRO A 83 2.044 -13.873 -9.796 1.00 40.43 H new ATOM 0 HD2 PRO A 83 4.670 -14.979 -9.470 1.00 45.11 H new ATOM 0 HD3 PRO A 83 3.911 -14.522 -10.982 1.00 45.11 H new ATOM 1282 N THR A 84 4.851 -11.390 -6.711 1.00 63.02 N ATOM 1283 CA THR A 84 5.215 -11.451 -5.285 1.00 20.42 C ATOM 1284 C THR A 84 4.642 -10.224 -4.580 1.00 25.20 C ATOM 1285 O THR A 84 4.048 -10.317 -3.506 1.00 72.22 O ATOM 1286 CB THR A 84 6.750 -11.504 -5.030 1.00 52.42 C ATOM 1287 OG1 THR A 84 7.023 -11.376 -3.623 1.00 45.53 O ATOM 1288 CG2 THR A 84 7.494 -10.410 -5.793 1.00 72.33 C ATOM 0 H THR A 84 4.261 -10.589 -6.937 1.00 63.02 H new ATOM 0 HA THR A 84 4.799 -12.379 -4.893 1.00 20.42 H new ATOM 0 HB THR A 84 7.105 -12.469 -5.392 1.00 52.42 H new ATOM 0 HG1 THR A 84 7.106 -10.428 -3.391 1.00 45.53 H new ATOM 0 HG21 THR A 84 8.562 -10.484 -5.586 1.00 72.33 H new ATOM 0 HG22 THR A 84 7.322 -10.531 -6.863 1.00 72.33 H new ATOM 0 HG23 THR A 84 7.130 -9.433 -5.476 1.00 72.33 H new ATOM 1296 N ASP A 85 4.814 -9.070 -5.227 1.00 35.52 N ATOM 1297 CA ASP A 85 4.312 -7.789 -4.728 1.00 13.15 C ATOM 1298 C ASP A 85 3.752 -6.950 -5.890 1.00 12.54 C ATOM 1299 O ASP A 85 3.639 -7.437 -7.021 1.00 1.14 O ATOM 1300 CB ASP A 85 5.442 -7.028 -4.027 1.00 65.41 C ATOM 1301 CG ASP A 85 6.116 -7.847 -2.942 1.00 34.34 C ATOM 1302 OD1 ASP A 85 5.540 -7.978 -1.846 1.00 20.34 O ATOM 1303 OD2 ASP A 85 7.228 -8.363 -3.178 1.00 34.45 O ATOM 0 H ASP A 85 5.308 -8.998 -6.116 1.00 35.52 H new ATOM 0 HA ASP A 85 3.510 -7.975 -4.014 1.00 13.15 H new ATOM 0 HB2 ASP A 85 6.186 -6.729 -4.766 1.00 65.41 H new ATOM 0 HB3 ASP A 85 5.042 -6.113 -3.590 1.00 65.41 H new ATOM 1308 N LEU A 86 3.411 -5.690 -5.613 1.00 62.01 N ATOM 1309 CA LEU A 86 2.903 -4.773 -6.644 1.00 62.00 C ATOM 1310 C LEU A 86 3.767 -3.504 -6.737 1.00 15.33 C ATOM 1311 O LEU A 86 4.087 -2.880 -5.724 1.00 42.00 O ATOM 1312 CB LEU A 86 1.440 -4.394 -6.359 1.00 4.32 C ATOM 1313 CG LEU A 86 0.429 -5.548 -6.472 1.00 0.00 C ATOM 1314 CD1 LEU A 86 -0.980 -5.070 -6.129 1.00 45.40 C ATOM 1315 CD2 LEU A 86 0.465 -6.160 -7.873 1.00 72.53 C ATOM 0 H LEU A 86 3.476 -5.277 -4.682 1.00 62.01 H new ATOM 0 HA LEU A 86 2.954 -5.292 -7.601 1.00 62.00 H new ATOM 0 HB2 LEU A 86 1.379 -3.976 -5.354 1.00 4.32 H new ATOM 0 HB3 LEU A 86 1.145 -3.605 -7.051 1.00 4.32 H new ATOM 0 HG LEU A 86 0.710 -6.318 -5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.678 -5.903 -6.216 1.00 45.40 H new ATOM 0 HD12 LEU A 86 -0.996 -4.688 -5.108 1.00 45.40 H new ATOM 0 HD13 LEU A 86 -1.273 -4.278 -6.818 1.00 45.40 H new ATOM 0 HD21 LEU A 86 -0.257 -6.974 -7.933 1.00 72.53 H new ATOM 0 HD22 LEU A 86 0.213 -5.397 -8.610 1.00 72.53 H new ATOM 0 HD23 LEU A 86 1.464 -6.545 -8.076 1.00 72.53 H new ATOM 1327 N ILE A 87 4.139 -3.127 -7.960 1.00 44.44 N ATOM 1328 CA ILE A 87 4.973 -1.939 -8.189 1.00 44.13 C ATOM 1329 C ILE A 87 4.114 -0.706 -8.526 1.00 64.33 C ATOM 1330 O ILE A 87 3.294 -0.729 -9.451 1.00 52.31 O ATOM 1331 CB ILE A 87 6.025 -2.173 -9.319 1.00 2.34 C ATOM 1332 CG1 ILE A 87 7.116 -3.173 -8.871 1.00 23.43 C ATOM 1333 CG2 ILE A 87 6.671 -0.851 -9.746 1.00 23.12 C ATOM 1334 CD1 ILE A 87 6.615 -4.578 -8.595 1.00 3.52 C ATOM 0 H ILE A 87 3.878 -3.625 -8.811 1.00 44.44 H new ATOM 0 HA ILE A 87 5.508 -1.752 -7.258 1.00 44.13 H new ATOM 0 HB ILE A 87 5.498 -2.598 -10.173 1.00 2.34 H new ATOM 0 HG12 ILE A 87 7.884 -3.221 -9.643 1.00 23.43 H new ATOM 0 HG13 ILE A 87 7.593 -2.789 -7.970 1.00 23.43 H new ATOM 0 HG21 ILE A 87 7.400 -1.040 -10.534 1.00 23.12 H new ATOM 0 HG22 ILE A 87 5.902 -0.174 -10.118 1.00 23.12 H new ATOM 0 HG23 ILE A 87 7.171 -0.397 -8.890 1.00 23.12 H new ATOM 0 HD11 ILE A 87 7.450 -5.208 -8.287 1.00 3.52 H new ATOM 0 HD12 ILE A 87 5.870 -4.549 -7.800 1.00 3.52 H new ATOM 0 HD13 ILE A 87 6.165 -4.988 -9.499 1.00 3.52 H new ATOM 1346 N TRP A 88 4.306 0.358 -7.757 1.00 73.10 N ATOM 1347 CA TRP A 88 3.595 1.620 -7.960 1.00 10.51 C ATOM 1348 C TRP A 88 4.239 2.441 -9.091 1.00 42.44 C ATOM 1349 O TRP A 88 5.145 3.240 -8.866 1.00 12.44 O ATOM 1350 CB TRP A 88 3.594 2.410 -6.647 1.00 41.51 C ATOM 1351 CG TRP A 88 2.786 3.669 -6.676 1.00 25.32 C ATOM 1352 CD1 TRP A 88 1.715 3.948 -7.474 1.00 42.23 C ATOM 1353 CD2 TRP A 88 2.974 4.819 -5.844 1.00 71.00 C ATOM 1354 NE1 TRP A 88 1.227 5.199 -7.194 1.00 20.13 N ATOM 1355 CE2 TRP A 88 1.983 5.753 -6.197 1.00 71.14 C ATOM 1356 CE3 TRP A 88 3.883 5.147 -4.837 1.00 41.33 C ATOM 1357 CZ2 TRP A 88 1.878 6.993 -5.579 1.00 21.42 C ATOM 1358 CZ3 TRP A 88 3.777 6.380 -4.223 1.00 50.13 C ATOM 1359 CH2 TRP A 88 2.779 7.288 -4.596 1.00 33.04 C ATOM 0 H TRP A 88 4.959 0.373 -6.974 1.00 73.10 H new ATOM 0 HA TRP A 88 2.568 1.408 -8.256 1.00 10.51 H new ATOM 0 HB2 TRP A 88 3.213 1.768 -5.853 1.00 41.51 H new ATOM 0 HB3 TRP A 88 4.623 2.660 -6.389 1.00 41.51 H new ATOM 0 HD1 TRP A 88 1.310 3.280 -8.219 1.00 42.23 H new ATOM 0 HE1 TRP A 88 0.432 5.643 -7.653 1.00 20.13 H new ATOM 0 HE3 TRP A 88 4.654 4.450 -4.543 1.00 41.33 H new ATOM 0 HZ2 TRP A 88 1.112 7.698 -5.866 1.00 21.42 H new ATOM 0 HZ3 TRP A 88 4.475 6.647 -3.443 1.00 50.13 H new ATOM 0 HH2 TRP A 88 2.720 8.243 -4.095 1.00 33.04 H new ATOM 1370 N LYS A 89 3.760 2.227 -10.314 1.00 42.11 N ATOM 1371 CA LYS A 89 4.334 2.871 -11.503 1.00 75.31 C ATOM 1372 C LYS A 89 3.843 4.321 -11.681 1.00 4.14 C ATOM 1373 O LYS A 89 4.302 5.029 -12.577 1.00 21.04 O ATOM 1374 CB LYS A 89 3.983 2.048 -12.754 1.00 73.24 C ATOM 1375 CG LYS A 89 4.409 0.584 -12.665 1.00 54.31 C ATOM 1376 CD LYS A 89 3.951 -0.225 -13.880 1.00 13.12 C ATOM 1377 CE LYS A 89 4.633 0.226 -15.168 1.00 73.42 C ATOM 1378 NZ LYS A 89 6.090 -0.070 -15.164 1.00 73.32 N ATOM 0 H LYS A 89 2.972 1.610 -10.513 1.00 42.11 H new ATOM 0 HA LYS A 89 5.415 2.909 -11.365 1.00 75.31 H new ATOM 0 HB2 LYS A 89 2.906 2.095 -12.919 1.00 73.24 H new ATOM 0 HB3 LYS A 89 4.458 2.503 -13.623 1.00 73.24 H new ATOM 0 HG2 LYS A 89 5.494 0.527 -12.581 1.00 54.31 H new ATOM 0 HG3 LYS A 89 3.996 0.141 -11.759 1.00 54.31 H new ATOM 0 HD2 LYS A 89 4.162 -1.281 -13.711 1.00 13.12 H new ATOM 0 HD3 LYS A 89 2.871 -0.129 -13.991 1.00 13.12 H new ATOM 0 HE2 LYS A 89 4.165 -0.271 -16.018 1.00 73.42 H new ATOM 0 HE3 LYS A 89 4.482 1.297 -15.302 1.00 73.42 H new ATOM 0 HZ1 LYS A 89 6.484 0.111 -16.109 1.00 73.32 H new ATOM 0 HZ2 LYS A 89 6.566 0.539 -14.468 1.00 73.32 H new ATOM 0 HZ3 LYS A 89 6.241 -1.068 -14.912 1.00 73.32 H new ATOM 1392 N ASN A 90 2.912 4.758 -10.833 1.00 4.10 N ATOM 1393 CA ASN A 90 2.322 6.101 -10.957 1.00 54.12 C ATOM 1394 C ASN A 90 3.203 7.195 -10.320 1.00 34.15 C ATOM 1395 O ASN A 90 2.990 8.385 -10.558 1.00 43.32 O ATOM 1396 CB ASN A 90 0.918 6.119 -10.339 1.00 40.04 C ATOM 1397 CG ASN A 90 -0.049 5.171 -11.040 1.00 71.01 C ATOM 1398 OD1 ASN A 90 -0.940 4.605 -10.415 1.00 12.31 O ATOM 1399 ND2 ASN A 90 0.106 4.997 -12.342 1.00 13.51 N ATOM 0 H ASN A 90 2.548 4.208 -10.055 1.00 4.10 H new ATOM 0 HA ASN A 90 2.255 6.327 -12.021 1.00 54.12 H new ATOM 0 HB2 ASN A 90 0.986 5.847 -9.286 1.00 40.04 H new ATOM 0 HB3 ASN A 90 0.520 7.133 -10.382 1.00 40.04 H new ATOM 0 HD21 ASN A 90 -0.525 4.379 -12.853 1.00 13.51 H new ATOM 0 HD22 ASN A 90 0.856 5.481 -12.835 1.00 13.51 H new ATOM 1406 N GLN A 91 4.184 6.796 -9.507 1.00 72.34 N ATOM 1407 CA GLN A 91 5.130 7.755 -8.915 1.00 73.11 C ATOM 1408 C GLN A 91 6.473 7.086 -8.574 1.00 0.23 C ATOM 1409 O GLN A 91 6.522 5.929 -8.149 1.00 23.35 O ATOM 1410 CB GLN A 91 4.542 8.404 -7.650 1.00 74.21 C ATOM 1411 CG GLN A 91 5.423 9.514 -7.074 1.00 64.22 C ATOM 1412 CD GLN A 91 4.948 10.045 -5.727 1.00 72.13 C ATOM 1413 OE1 GLN A 91 3.760 10.057 -5.419 1.00 44.33 O ATOM 1414 NE2 GLN A 91 5.882 10.501 -4.918 1.00 31.02 N ATOM 0 H GLN A 91 4.347 5.824 -9.243 1.00 72.34 H new ATOM 0 HA GLN A 91 5.307 8.529 -9.662 1.00 73.11 H new ATOM 0 HB2 GLN A 91 3.559 8.814 -7.884 1.00 74.21 H new ATOM 0 HB3 GLN A 91 4.395 7.636 -6.891 1.00 74.21 H new ATOM 0 HG2 GLN A 91 6.440 9.138 -6.967 1.00 64.22 H new ATOM 0 HG3 GLN A 91 5.462 10.339 -7.785 1.00 64.22 H new ATOM 0 HE21 GLN A 91 6.861 10.477 -5.204 1.00 31.02 H new ATOM 0 HE22 GLN A 91 5.627 10.878 -4.005 1.00 31.02 H new ATOM 1423 N ASN A 92 7.563 7.826 -8.770 1.00 71.13 N ATOM 1424 CA ASN A 92 8.900 7.354 -8.405 1.00 53.43 C ATOM 1425 C ASN A 92 9.110 7.414 -6.880 1.00 74.54 C ATOM 1426 O ASN A 92 8.281 7.956 -6.148 1.00 24.24 O ATOM 1427 CB ASN A 92 9.962 8.205 -9.112 1.00 40.02 C ATOM 1428 CG ASN A 92 9.814 8.180 -10.623 1.00 21.51 C ATOM 1429 OD1 ASN A 92 9.108 8.997 -11.204 1.00 63.50 O ATOM 1430 ND2 ASN A 92 10.482 7.252 -11.273 1.00 41.12 N ATOM 0 H ASN A 92 7.547 8.759 -9.181 1.00 71.13 H new ATOM 0 HA ASN A 92 8.996 6.315 -8.722 1.00 53.43 H new ATOM 0 HB2 ASN A 92 9.892 9.234 -8.760 1.00 40.02 H new ATOM 0 HB3 ASN A 92 10.953 7.842 -8.841 1.00 40.02 H new ATOM 0 HD21 ASN A 92 10.421 7.198 -12.290 1.00 41.12 H new ATOM 0 HD22 ASN A 92 11.061 6.587 -10.760 1.00 41.12 H new ATOM 1437 N SER A 93 10.226 6.864 -6.407 1.00 14.21 N ATOM 1438 CA SER A 93 10.555 6.902 -4.974 1.00 42.12 C ATOM 1439 C SER A 93 10.955 8.322 -4.550 1.00 52.34 C ATOM 1440 O SER A 93 11.975 8.848 -5.002 1.00 74.33 O ATOM 1441 CB SER A 93 11.684 5.908 -4.649 1.00 44.21 C ATOM 1442 OG SER A 93 12.828 6.130 -5.459 1.00 60.31 O ATOM 0 H SER A 93 10.917 6.388 -6.987 1.00 14.21 H new ATOM 0 HA SER A 93 9.667 6.610 -4.413 1.00 42.12 H new ATOM 0 HB2 SER A 93 11.959 6.000 -3.598 1.00 44.21 H new ATOM 0 HB3 SER A 93 11.326 4.889 -4.797 1.00 44.21 H new ATOM 0 HG SER A 93 13.525 5.482 -5.225 1.00 60.31 H new ATOM 1448 N TRP A 94 10.146 8.951 -3.689 1.00 0.35 N ATOM 1449 CA TRP A 94 10.386 10.349 -3.291 1.00 64.41 C ATOM 1450 C TRP A 94 11.762 10.535 -2.629 1.00 30.44 C ATOM 1451 O TRP A 94 12.357 11.608 -2.728 1.00 42.12 O ATOM 1452 CB TRP A 94 9.253 10.881 -2.388 1.00 62.40 C ATOM 1453 CG TRP A 94 9.040 10.130 -1.098 1.00 11.12 C ATOM 1454 CD1 TRP A 94 9.631 10.381 0.109 1.00 24.12 C ATOM 1455 CD2 TRP A 94 8.145 9.028 -0.881 1.00 41.11 C ATOM 1456 NE1 TRP A 94 9.163 9.506 1.057 1.00 50.22 N ATOM 1457 CE2 TRP A 94 8.255 8.661 0.474 1.00 52.32 C ATOM 1458 CE3 TRP A 94 7.266 8.310 -1.703 1.00 21.15 C ATOM 1459 CZ2 TRP A 94 7.518 7.615 1.026 1.00 15.11 C ATOM 1460 CZ3 TRP A 94 6.536 7.270 -1.152 1.00 12.54 C ATOM 1461 CH2 TRP A 94 6.667 6.932 0.201 1.00 51.23 C ATOM 0 H TRP A 94 9.327 8.522 -3.257 1.00 0.35 H new ATOM 0 HA TRP A 94 10.389 10.942 -4.206 1.00 64.41 H new ATOM 0 HB2 TRP A 94 9.462 11.924 -2.150 1.00 62.40 H new ATOM 0 HB3 TRP A 94 8.322 10.864 -2.955 1.00 62.40 H new ATOM 0 HD1 TRP A 94 10.361 11.156 0.290 1.00 24.12 H new ATOM 0 HE1 TRP A 94 9.445 9.488 2.037 1.00 50.22 H new ATOM 0 HE3 TRP A 94 7.160 8.563 -2.748 1.00 21.15 H new ATOM 0 HZ2 TRP A 94 7.615 7.353 2.069 1.00 15.11 H new ATOM 0 HZ3 TRP A 94 5.855 6.710 -1.776 1.00 12.54 H new ATOM 0 HH2 TRP A 94 6.084 6.115 0.601 1.00 51.23 H new ATOM 1472 N GLY A 95 12.253 9.489 -1.960 1.00 44.42 N ATOM 1473 CA GLY A 95 13.620 9.481 -1.435 1.00 2.55 C ATOM 1474 C GLY A 95 14.015 10.738 -0.661 1.00 62.41 C ATOM 1475 O GLY A 95 15.143 11.220 -0.778 1.00 34.12 O ATOM 0 H GLY A 95 11.725 8.638 -1.769 1.00 44.42 H new ATOM 0 HA2 GLY A 95 13.739 8.617 -0.782 1.00 2.55 H new ATOM 0 HA3 GLY A 95 14.313 9.350 -2.266 1.00 2.55 H new ATOM 1479 N THR A 96 13.090 11.269 0.133 1.00 25.14 N ATOM 1480 CA THR A 96 13.352 12.475 0.936 1.00 21.52 C ATOM 1481 C THR A 96 12.856 12.293 2.377 1.00 72.22 C ATOM 1482 O THR A 96 12.791 13.248 3.155 1.00 1.22 O ATOM 1483 CB THR A 96 12.685 13.735 0.309 1.00 12.45 C ATOM 1484 OG1 THR A 96 12.991 14.911 1.081 1.00 23.45 O ATOM 1485 CG2 THR A 96 11.170 13.574 0.210 1.00 14.10 C ATOM 0 H THR A 96 12.150 10.888 0.243 1.00 25.14 H new ATOM 0 HA THR A 96 14.432 12.624 0.947 1.00 21.52 H new ATOM 0 HB THR A 96 13.090 13.847 -0.697 1.00 12.45 H new ATOM 0 HG1 THR A 96 13.011 14.681 2.033 1.00 23.45 H new ATOM 0 HG21 THR A 96 10.737 14.471 -0.232 1.00 14.10 H new ATOM 0 HG22 THR A 96 10.936 12.712 -0.415 1.00 14.10 H new ATOM 0 HG23 THR A 96 10.754 13.423 1.206 1.00 14.10 H new ATOM 1493 N GLY A 97 12.527 11.051 2.737 1.00 31.24 N ATOM 1494 CA GLY A 97 11.994 10.770 4.068 1.00 52.24 C ATOM 1495 C GLY A 97 10.609 11.378 4.291 1.00 43.14 C ATOM 1496 O GLY A 97 9.637 10.955 3.659 1.00 41.43 O ATOM 0 H GLY A 97 12.619 10.234 2.133 1.00 31.24 H new ATOM 0 HA2 GLY A 97 11.940 9.691 4.213 1.00 52.24 H new ATOM 0 HA3 GLY A 97 12.682 11.158 4.819 1.00 52.24 H new ATOM 1500 N GLU A 98 10.531 12.369 5.188 1.00 41.21 N ATOM 1501 CA GLU A 98 9.279 13.096 5.475 1.00 22.21 C ATOM 1502 C GLU A 98 8.208 12.208 6.139 1.00 63.14 C ATOM 1503 O GLU A 98 8.285 10.977 6.116 1.00 33.13 O ATOM 1504 CB GLU A 98 8.710 13.731 4.190 1.00 51.32 C ATOM 1505 CG GLU A 98 9.593 14.818 3.588 1.00 63.43 C ATOM 1506 CD GLU A 98 9.809 15.982 4.539 1.00 41.03 C ATOM 1507 OE1 GLU A 98 8.828 16.697 4.838 1.00 74.33 O ATOM 1508 OE2 GLU A 98 10.952 16.176 5.010 1.00 64.30 O ATOM 0 H GLU A 98 11.329 12.692 5.736 1.00 41.21 H new ATOM 0 HA GLU A 98 9.536 13.880 6.187 1.00 22.21 H new ATOM 0 HB2 GLU A 98 8.559 12.948 3.447 1.00 51.32 H new ATOM 0 HB3 GLU A 98 7.730 14.155 4.410 1.00 51.32 H new ATOM 0 HG2 GLU A 98 10.558 14.390 3.317 1.00 63.43 H new ATOM 0 HG3 GLU A 98 9.137 15.184 2.668 1.00 63.43 H new ATOM 1515 N ASP A 99 7.203 12.849 6.739 1.00 34.04 N ATOM 1516 CA ASP A 99 6.080 12.132 7.345 1.00 23.12 C ATOM 1517 C ASP A 99 4.893 12.050 6.365 1.00 51.21 C ATOM 1518 O ASP A 99 4.018 12.915 6.337 1.00 43.45 O ATOM 1519 CB ASP A 99 5.670 12.796 8.672 1.00 64.53 C ATOM 1520 CG ASP A 99 5.269 14.254 8.517 1.00 11.41 C ATOM 1521 OD1 ASP A 99 6.122 15.076 8.119 1.00 12.12 O ATOM 1522 OD2 ASP A 99 4.094 14.589 8.790 1.00 13.30 O ATOM 0 H ASP A 99 7.144 13.864 6.818 1.00 34.04 H new ATOM 0 HA ASP A 99 6.396 11.112 7.566 1.00 23.12 H new ATOM 0 HB2 ASP A 99 4.838 12.242 9.105 1.00 64.53 H new ATOM 0 HB3 ASP A 99 6.499 12.728 9.376 1.00 64.53 H new ATOM 1527 N VAL A 100 4.893 11.014 5.534 1.00 22.34 N ATOM 1528 CA VAL A 100 3.831 10.820 4.541 1.00 24.21 C ATOM 1529 C VAL A 100 2.752 9.858 5.059 1.00 71.44 C ATOM 1530 O VAL A 100 3.059 8.815 5.640 1.00 12.11 O ATOM 1531 CB VAL A 100 4.407 10.298 3.198 1.00 71.13 C ATOM 1532 CG1 VAL A 100 5.136 8.970 3.389 1.00 64.21 C ATOM 1533 CG2 VAL A 100 3.312 10.169 2.140 1.00 54.42 C ATOM 0 H VAL A 100 5.614 10.293 5.524 1.00 22.34 H new ATOM 0 HA VAL A 100 3.371 11.793 4.367 1.00 24.21 H new ATOM 0 HB VAL A 100 5.132 11.031 2.844 1.00 71.13 H new ATOM 0 HG11 VAL A 100 5.529 8.629 2.431 1.00 64.21 H new ATOM 0 HG12 VAL A 100 5.959 9.104 4.091 1.00 64.21 H new ATOM 0 HG13 VAL A 100 4.442 8.227 3.781 1.00 64.21 H new ATOM 0 HG21 VAL A 100 3.746 9.801 1.210 1.00 54.42 H new ATOM 0 HG22 VAL A 100 2.551 9.470 2.487 1.00 54.42 H new ATOM 0 HG23 VAL A 100 2.857 11.144 1.967 1.00 54.42 H new ATOM 1543 N LYS A 101 1.485 10.215 4.858 1.00 34.13 N ATOM 1544 CA LYS A 101 0.370 9.377 5.302 1.00 55.22 C ATOM 1545 C LYS A 101 -0.441 8.855 4.109 1.00 64.45 C ATOM 1546 O LYS A 101 -0.920 9.629 3.277 1.00 32.41 O ATOM 1547 CB LYS A 101 -0.533 10.154 6.271 1.00 14.11 C ATOM 1548 CG LYS A 101 -1.655 9.307 6.873 1.00 23.33 C ATOM 1549 CD LYS A 101 -2.390 10.038 7.994 1.00 10.01 C ATOM 1550 CE LYS A 101 -3.088 11.301 7.500 1.00 1.35 C ATOM 1551 NZ LYS A 101 -3.763 12.033 8.604 1.00 65.14 N ATOM 0 H LYS A 101 1.204 11.077 4.391 1.00 34.13 H new ATOM 0 HA LYS A 101 0.784 8.516 5.827 1.00 55.22 H new ATOM 0 HB2 LYS A 101 0.078 10.560 7.078 1.00 14.11 H new ATOM 0 HB3 LYS A 101 -0.971 11.002 5.745 1.00 14.11 H new ATOM 0 HG2 LYS A 101 -2.365 9.038 6.091 1.00 23.33 H new ATOM 0 HG3 LYS A 101 -1.239 8.377 7.260 1.00 23.33 H new ATOM 0 HD2 LYS A 101 -3.126 9.369 8.440 1.00 10.01 H new ATOM 0 HD3 LYS A 101 -1.681 10.301 8.780 1.00 10.01 H new ATOM 0 HE2 LYS A 101 -2.358 11.956 7.024 1.00 1.35 H new ATOM 0 HE3 LYS A 101 -3.822 11.035 6.739 1.00 1.35 H new ATOM 0 HZ1 LYS A 101 -4.281 12.847 8.215 1.00 65.14 H new ATOM 0 HZ2 LYS A 101 -4.429 11.397 9.086 1.00 65.14 H new ATOM 0 HZ3 LYS A 101 -3.051 12.369 9.284 1.00 65.14 H new ATOM 1565 N VAL A 102 -0.580 7.538 4.031 1.00 40.55 N ATOM 1566 CA VAL A 102 -1.283 6.894 2.923 1.00 72.53 C ATOM 1567 C VAL A 102 -2.730 6.527 3.292 1.00 22.54 C ATOM 1568 O VAL A 102 -3.000 6.015 4.383 1.00 13.51 O ATOM 1569 CB VAL A 102 -0.525 5.624 2.464 1.00 33.54 C ATOM 1570 CG1 VAL A 102 -1.308 4.875 1.389 1.00 31.24 C ATOM 1571 CG2 VAL A 102 0.872 5.990 1.959 1.00 62.21 C ATOM 0 H VAL A 102 -0.213 6.888 4.726 1.00 40.55 H new ATOM 0 HA VAL A 102 -1.317 7.614 2.106 1.00 72.53 H new ATOM 0 HB VAL A 102 -0.421 4.962 3.323 1.00 33.54 H new ATOM 0 HG11 VAL A 102 -0.752 3.988 1.086 1.00 31.24 H new ATOM 0 HG12 VAL A 102 -2.278 4.577 1.787 1.00 31.24 H new ATOM 0 HG13 VAL A 102 -1.454 5.525 0.526 1.00 31.24 H new ATOM 0 HG21 VAL A 102 1.392 5.087 1.640 1.00 62.21 H new ATOM 0 HG22 VAL A 102 0.786 6.676 1.116 1.00 62.21 H new ATOM 0 HG23 VAL A 102 1.435 6.469 2.760 1.00 62.21 H new ATOM 1581 N ILE A 103 -3.650 6.799 2.370 1.00 53.34 N ATOM 1582 CA ILE A 103 -5.073 6.501 2.551 1.00 13.41 C ATOM 1583 C ILE A 103 -5.487 5.247 1.758 1.00 44.44 C ATOM 1584 O ILE A 103 -5.339 5.201 0.536 1.00 14.15 O ATOM 1585 CB ILE A 103 -5.952 7.691 2.080 1.00 62.11 C ATOM 1586 CG1 ILE A 103 -5.535 8.997 2.782 1.00 32.33 C ATOM 1587 CG2 ILE A 103 -7.431 7.393 2.323 1.00 12.15 C ATOM 1588 CD1 ILE A 103 -5.688 8.968 4.289 1.00 20.31 C ATOM 0 H ILE A 103 -3.432 7.233 1.473 1.00 53.34 H new ATOM 0 HA ILE A 103 -5.227 6.325 3.616 1.00 13.41 H new ATOM 0 HB ILE A 103 -5.799 7.823 1.009 1.00 62.11 H new ATOM 0 HG12 ILE A 103 -4.495 9.211 2.538 1.00 32.33 H new ATOM 0 HG13 ILE A 103 -6.132 9.817 2.383 1.00 32.33 H new ATOM 0 HG21 ILE A 103 -8.032 8.238 1.987 1.00 12.15 H new ATOM 0 HG22 ILE A 103 -7.718 6.500 1.768 1.00 12.15 H new ATOM 0 HG23 ILE A 103 -7.599 7.229 3.387 1.00 12.15 H new ATOM 0 HD11 ILE A 103 -5.373 9.925 4.705 1.00 20.31 H new ATOM 0 HD12 ILE A 103 -6.732 8.787 4.545 1.00 20.31 H new ATOM 0 HD13 ILE A 103 -5.069 8.171 4.702 1.00 20.31 H new ATOM 1600 N LEU A 104 -6.004 4.236 2.451 1.00 72.13 N ATOM 1601 CA LEU A 104 -6.520 3.029 1.787 1.00 22.31 C ATOM 1602 C LEU A 104 -8.044 3.101 1.617 1.00 53.34 C ATOM 1603 O LEU A 104 -8.774 3.233 2.598 1.00 51.12 O ATOM 1604 CB LEU A 104 -6.157 1.768 2.586 1.00 62.32 C ATOM 1605 CG LEU A 104 -4.656 1.461 2.705 1.00 31.13 C ATOM 1606 CD1 LEU A 104 -4.441 0.167 3.487 1.00 51.22 C ATOM 1607 CD2 LEU A 104 -4.010 1.370 1.323 1.00 11.13 C ATOM 0 H LEU A 104 -6.079 4.222 3.468 1.00 72.13 H new ATOM 0 HA LEU A 104 -6.056 2.976 0.802 1.00 22.31 H new ATOM 0 HB2 LEU A 104 -6.569 1.866 3.590 1.00 62.32 H new ATOM 0 HB3 LEU A 104 -6.648 0.913 2.122 1.00 62.32 H new ATOM 0 HG LEU A 104 -4.179 2.277 3.247 1.00 31.13 H new ATOM 0 HD11 LEU A 104 -3.373 -0.039 3.564 1.00 51.22 H new ATOM 0 HD12 LEU A 104 -4.863 0.271 4.486 1.00 51.22 H new ATOM 0 HD13 LEU A 104 -4.933 -0.657 2.970 1.00 51.22 H new ATOM 0 HD21 LEU A 104 -2.948 1.152 1.432 1.00 11.13 H new ATOM 0 HD22 LEU A 104 -4.487 0.575 0.750 1.00 11.13 H new ATOM 0 HD23 LEU A 104 -4.134 2.318 0.800 1.00 11.13 H new ATOM 1619 N LYS A 105 -8.518 3.011 0.374 1.00 13.01 N ATOM 1620 CA LYS A 105 -9.961 3.018 0.085 1.00 41.11 C ATOM 1621 C LYS A 105 -10.358 1.844 -0.823 1.00 72.45 C ATOM 1622 O LYS A 105 -9.519 1.264 -1.515 1.00 51.22 O ATOM 1623 CB LYS A 105 -10.375 4.346 -0.570 1.00 13.42 C ATOM 1624 CG LYS A 105 -10.214 5.562 0.340 1.00 71.22 C ATOM 1625 CD LYS A 105 -10.794 6.823 -0.297 1.00 41.11 C ATOM 1626 CE LYS A 105 -10.750 8.016 0.651 1.00 10.41 C ATOM 1627 NZ LYS A 105 -11.415 9.211 0.068 1.00 42.31 N ATOM 0 H LYS A 105 -7.926 2.932 -0.453 1.00 13.01 H new ATOM 0 HA LYS A 105 -10.485 2.908 1.034 1.00 41.11 H new ATOM 0 HB2 LYS A 105 -9.779 4.497 -1.470 1.00 13.42 H new ATOM 0 HB3 LYS A 105 -11.416 4.275 -0.885 1.00 13.42 H new ATOM 0 HG2 LYS A 105 -10.711 5.373 1.292 1.00 71.22 H new ATOM 0 HG3 LYS A 105 -9.157 5.717 0.557 1.00 71.22 H new ATOM 0 HD2 LYS A 105 -10.237 7.060 -1.203 1.00 41.11 H new ATOM 0 HD3 LYS A 105 -11.825 6.636 -0.596 1.00 41.11 H new ATOM 0 HE2 LYS A 105 -11.236 7.752 1.590 1.00 10.41 H new ATOM 0 HE3 LYS A 105 -9.713 8.256 0.885 1.00 10.41 H new ATOM 0 HZ1 LYS A 105 -11.364 10.001 0.743 1.00 42.31 H new ATOM 0 HZ2 LYS A 105 -10.936 9.479 -0.815 1.00 42.31 H new ATOM 0 HZ3 LYS A 105 -12.411 8.991 -0.132 1.00 42.31 H new ATOM 1641 N ASN A 106 -11.642 1.489 -0.811 1.00 21.11 N ATOM 1642 CA ASN A 106 -12.149 0.413 -1.671 1.00 52.11 C ATOM 1643 C ASN A 106 -12.686 0.976 -2.996 1.00 35.53 C ATOM 1644 O ASN A 106 -12.955 2.172 -3.113 1.00 54.54 O ATOM 1645 CB ASN A 106 -13.260 -0.373 -0.969 1.00 32.01 C ATOM 1646 CG ASN A 106 -12.875 -0.821 0.426 1.00 25.31 C ATOM 1647 OD1 ASN A 106 -13.159 -0.143 1.405 1.00 50.30 O ATOM 1648 ND2 ASN A 106 -12.217 -1.959 0.533 1.00 3.24 N ATOM 0 H ASN A 106 -12.349 1.926 -0.220 1.00 21.11 H new ATOM 0 HA ASN A 106 -11.315 -0.257 -1.879 1.00 52.11 H new ATOM 0 HB2 ASN A 106 -14.156 0.246 -0.912 1.00 32.01 H new ATOM 0 HB3 ASN A 106 -13.514 -1.247 -1.569 1.00 32.01 H new ATOM 0 HD21 ASN A 106 -11.929 -2.297 1.451 1.00 3.24 H new ATOM 0 HD22 ASN A 106 -11.996 -2.501 -0.302 1.00 3.24 H new ATOM 1655 N SER A 107 -12.861 0.100 -3.984 1.00 62.55 N ATOM 1656 CA SER A 107 -13.361 0.500 -5.311 1.00 42.23 C ATOM 1657 C SER A 107 -14.730 1.200 -5.233 1.00 3.34 C ATOM 1658 O SER A 107 -15.049 2.048 -6.068 1.00 2.14 O ATOM 1659 CB SER A 107 -13.481 -0.726 -6.229 1.00 40.50 C ATOM 1660 OG SER A 107 -14.439 -1.650 -5.726 1.00 51.15 O ATOM 0 H SER A 107 -12.665 -0.897 -3.896 1.00 62.55 H new ATOM 0 HA SER A 107 -12.638 1.207 -5.718 1.00 42.23 H new ATOM 0 HB2 SER A 107 -13.769 -0.407 -7.231 1.00 40.50 H new ATOM 0 HB3 SER A 107 -12.511 -1.215 -6.317 1.00 40.50 H new ATOM 0 HG SER A 107 -14.498 -2.420 -6.329 1.00 51.15 H new ATOM 1666 N GLN A 108 -15.534 0.840 -4.229 1.00 13.13 N ATOM 1667 CA GLN A 108 -16.893 1.382 -4.091 1.00 32.53 C ATOM 1668 C GLN A 108 -16.904 2.838 -3.583 1.00 75.32 C ATOM 1669 O GLN A 108 -17.907 3.537 -3.734 1.00 21.20 O ATOM 1670 CB GLN A 108 -17.736 0.486 -3.168 1.00 32.23 C ATOM 1671 CG GLN A 108 -17.929 -0.937 -3.694 1.00 25.22 C ATOM 1672 CD GLN A 108 -18.846 -1.779 -2.815 1.00 30.12 C ATOM 1673 OE1 GLN A 108 -19.740 -1.266 -2.153 1.00 0.01 O ATOM 1674 NE2 GLN A 108 -18.644 -3.084 -2.818 1.00 52.31 N ATOM 0 H GLN A 108 -15.270 0.177 -3.500 1.00 13.13 H new ATOM 0 HA GLN A 108 -17.334 1.391 -5.088 1.00 32.53 H new ATOM 0 HB2 GLN A 108 -17.260 0.439 -2.189 1.00 32.23 H new ATOM 0 HB3 GLN A 108 -18.714 0.946 -3.025 1.00 32.23 H new ATOM 0 HG2 GLN A 108 -18.342 -0.893 -4.702 1.00 25.22 H new ATOM 0 HG3 GLN A 108 -16.957 -1.426 -3.768 1.00 25.22 H new ATOM 0 HE21 GLN A 108 -17.891 -3.482 -3.380 1.00 52.31 H new ATOM 0 HE22 GLN A 108 -19.241 -3.694 -2.259 1.00 52.31 H new ATOM 1683 N GLY A 109 -15.808 3.298 -2.968 1.00 1.54 N ATOM 1684 CA GLY A 109 -15.695 4.717 -2.623 1.00 42.43 C ATOM 1685 C GLY A 109 -15.167 5.018 -1.216 1.00 54.02 C ATOM 1686 O GLY A 109 -14.289 5.871 -1.054 1.00 64.30 O ATOM 0 H GLY A 109 -15.007 2.724 -2.705 1.00 1.54 H new ATOM 0 HA2 GLY A 109 -15.038 5.197 -3.348 1.00 42.43 H new ATOM 0 HA3 GLY A 109 -16.677 5.177 -2.729 1.00 42.43 H new ATOM 1690 N GLU A 110 -15.697 4.337 -0.198 1.00 71.25 N ATOM 1691 CA GLU A 110 -15.403 4.695 1.202 1.00 73.11 C ATOM 1692 C GLU A 110 -13.990 4.265 1.643 1.00 31.13 C ATOM 1693 O GLU A 110 -13.301 3.515 0.946 1.00 51.23 O ATOM 1694 CB GLU A 110 -16.462 4.108 2.151 1.00 65.35 C ATOM 1695 CG GLU A 110 -16.443 2.587 2.256 1.00 14.33 C ATOM 1696 CD GLU A 110 -17.530 2.052 3.175 1.00 15.42 C ATOM 1697 OE1 GLU A 110 -17.407 2.216 4.408 1.00 32.44 O ATOM 1698 OE2 GLU A 110 -18.513 1.463 2.666 1.00 41.30 O ATOM 0 H GLU A 110 -16.326 3.542 -0.308 1.00 71.25 H new ATOM 0 HA GLU A 110 -15.438 5.783 1.258 1.00 73.11 H new ATOM 0 HB2 GLU A 110 -16.315 4.530 3.145 1.00 65.35 H new ATOM 0 HB3 GLU A 110 -17.449 4.424 1.814 1.00 65.35 H new ATOM 0 HG2 GLU A 110 -16.567 2.156 1.263 1.00 14.33 H new ATOM 0 HG3 GLU A 110 -15.469 2.264 2.624 1.00 14.33 H new ATOM 1705 N GLU A 111 -13.578 4.747 2.819 1.00 12.13 N ATOM 1706 CA GLU A 111 -12.213 4.550 3.323 1.00 33.14 C ATOM 1707 C GLU A 111 -12.108 3.328 4.256 1.00 52.01 C ATOM 1708 O GLU A 111 -13.046 2.995 4.986 1.00 0.01 O ATOM 1709 CB GLU A 111 -11.753 5.817 4.068 1.00 3.01 C ATOM 1710 CG GLU A 111 -10.291 5.793 4.519 1.00 53.23 C ATOM 1711 CD GLU A 111 -9.876 7.065 5.254 1.00 41.42 C ATOM 1712 OE1 GLU A 111 -9.821 8.139 4.614 1.00 74.21 O ATOM 1713 OE2 GLU A 111 -9.609 6.999 6.474 1.00 65.44 O ATOM 0 H GLU A 111 -14.177 5.283 3.447 1.00 12.13 H new ATOM 0 HA GLU A 111 -11.566 4.362 2.466 1.00 33.14 H new ATOM 0 HB2 GLU A 111 -11.906 6.680 3.420 1.00 3.01 H new ATOM 0 HB3 GLU A 111 -12.388 5.959 4.943 1.00 3.01 H new ATOM 0 HG2 GLU A 111 -10.131 4.934 5.171 1.00 53.23 H new ATOM 0 HG3 GLU A 111 -9.649 5.657 3.648 1.00 53.23 H new ATOM 1720 N VAL A 112 -10.954 2.665 4.220 1.00 32.20 N ATOM 1721 CA VAL A 112 -10.669 1.535 5.107 1.00 20.33 C ATOM 1722 C VAL A 112 -9.841 1.988 6.319 1.00 52.12 C ATOM 1723 O VAL A 112 -10.265 1.846 7.468 1.00 42.10 O ATOM 1724 CB VAL A 112 -9.893 0.419 4.361 1.00 44.34 C ATOM 1725 CG1 VAL A 112 -9.671 -0.791 5.269 1.00 11.12 C ATOM 1726 CG2 VAL A 112 -10.623 0.016 3.083 1.00 62.12 C ATOM 0 H VAL A 112 -10.193 2.893 3.580 1.00 32.20 H new ATOM 0 HA VAL A 112 -11.628 1.142 5.445 1.00 20.33 H new ATOM 0 HB VAL A 112 -8.915 0.813 4.083 1.00 44.34 H new ATOM 0 HG11 VAL A 112 -9.125 -1.560 4.723 1.00 11.12 H new ATOM 0 HG12 VAL A 112 -9.095 -0.489 6.144 1.00 11.12 H new ATOM 0 HG13 VAL A 112 -10.635 -1.188 5.588 1.00 11.12 H new ATOM 0 HG21 VAL A 112 -10.061 -0.768 2.575 1.00 62.12 H new ATOM 0 HG22 VAL A 112 -11.617 -0.354 3.333 1.00 62.12 H new ATOM 0 HG23 VAL A 112 -10.712 0.882 2.427 1.00 62.12 H new ATOM 1736 N ALA A 113 -8.659 2.537 6.050 1.00 40.13 N ATOM 1737 CA ALA A 113 -7.753 2.992 7.109 1.00 41.23 C ATOM 1738 C ALA A 113 -6.628 3.872 6.549 1.00 40.41 C ATOM 1739 O ALA A 113 -6.325 3.833 5.354 1.00 64.14 O ATOM 1740 CB ALA A 113 -7.164 1.794 7.851 1.00 60.24 C ATOM 0 H ALA A 113 -8.303 2.679 5.105 1.00 40.13 H new ATOM 0 HA ALA A 113 -8.334 3.596 7.806 1.00 41.23 H new ATOM 0 HB1 ALA A 113 -6.493 2.145 8.635 1.00 60.24 H new ATOM 0 HB2 ALA A 113 -7.969 1.211 8.297 1.00 60.24 H new ATOM 0 HB3 ALA A 113 -6.609 1.170 7.151 1.00 60.24 H new ATOM 1746 N GLN A 114 -6.012 4.665 7.423 1.00 21.14 N ATOM 1747 CA GLN A 114 -4.872 5.507 7.043 1.00 63.03 C ATOM 1748 C GLN A 114 -3.671 5.231 7.951 1.00 72.20 C ATOM 1749 O GLN A 114 -3.836 4.831 9.105 1.00 1.43 O ATOM 1750 CB GLN A 114 -5.250 6.993 7.113 1.00 33.33 C ATOM 1751 CG GLN A 114 -5.548 7.504 8.524 1.00 30.42 C ATOM 1752 CD GLN A 114 -5.835 8.997 8.565 1.00 73.00 C ATOM 1753 OE1 GLN A 114 -5.522 9.680 9.532 1.00 72.21 O ATOM 1754 NE2 GLN A 114 -6.454 9.517 7.525 1.00 73.11 N ATOM 0 H GLN A 114 -6.282 4.745 8.403 1.00 21.14 H new ATOM 0 HA GLN A 114 -4.599 5.262 6.016 1.00 63.03 H new ATOM 0 HB2 GLN A 114 -4.436 7.583 6.691 1.00 33.33 H new ATOM 0 HB3 GLN A 114 -6.125 7.163 6.486 1.00 33.33 H new ATOM 0 HG2 GLN A 114 -6.404 6.963 8.927 1.00 30.42 H new ATOM 0 HG3 GLN A 114 -4.699 7.285 9.171 1.00 30.42 H new ATOM 0 HE21 GLN A 114 -6.704 8.926 6.732 1.00 73.11 H new ATOM 0 HE22 GLN A 114 -6.684 10.511 7.513 1.00 73.11 H new ATOM 1763 N ARG A 115 -2.466 5.442 7.431 1.00 42.43 N ATOM 1764 CA ARG A 115 -1.244 5.207 8.212 1.00 5.14 C ATOM 1765 C ARG A 115 -0.068 6.036 7.674 1.00 71.32 C ATOM 1766 O ARG A 115 0.042 6.253 6.469 1.00 3.34 O ATOM 1767 CB ARG A 115 -0.905 3.707 8.195 1.00 60.15 C ATOM 1768 CG ARG A 115 0.155 3.290 9.214 1.00 2.55 C ATOM 1769 CD ARG A 115 0.261 1.771 9.324 1.00 53.54 C ATOM 1770 NE ARG A 115 1.160 1.362 10.397 1.00 55.20 N ATOM 1771 CZ ARG A 115 0.855 0.487 11.319 1.00 4.14 C ATOM 1772 NH1 ARG A 115 -0.317 -0.067 11.341 1.00 61.02 N ATOM 1773 NH2 ARG A 115 1.721 0.184 12.227 1.00 50.10 N ATOM 0 H ARG A 115 -2.304 5.773 6.480 1.00 42.43 H new ATOM 0 HA ARG A 115 -1.421 5.524 9.240 1.00 5.14 H new ATOM 0 HB2 ARG A 115 -1.816 3.138 8.383 1.00 60.15 H new ATOM 0 HB3 ARG A 115 -0.560 3.436 7.197 1.00 60.15 H new ATOM 0 HG2 ARG A 115 1.121 3.703 8.924 1.00 2.55 H new ATOM 0 HG3 ARG A 115 -0.092 3.710 10.189 1.00 2.55 H new ATOM 0 HD2 ARG A 115 -0.729 1.350 9.501 1.00 53.54 H new ATOM 0 HD3 ARG A 115 0.617 1.363 8.378 1.00 53.54 H new ATOM 0 HE ARG A 115 2.087 1.786 10.430 1.00 55.20 H new ATOM 0 HH11 ARG A 115 -1.011 0.179 10.635 1.00 61.02 H new ATOM 0 HH12 ARG A 115 -0.545 -0.749 12.065 1.00 61.02 H new ATOM 0 HH21 ARG A 115 2.640 0.627 12.224 1.00 50.10 H new ATOM 0 HH22 ARG A 115 1.486 -0.498 12.948 1.00 50.10 H new ATOM 1787 N SER A 116 0.801 6.502 8.571 1.00 51.03 N ATOM 1788 CA SER A 116 1.930 7.366 8.186 1.00 4.31 C ATOM 1789 C SER A 116 3.289 6.693 8.425 1.00 23.25 C ATOM 1790 O SER A 116 3.369 5.587 8.961 1.00 60.11 O ATOM 1791 CB SER A 116 1.886 8.686 8.973 1.00 62.13 C ATOM 1792 OG SER A 116 2.139 8.475 10.360 1.00 12.20 O ATOM 0 H SER A 116 0.750 6.299 9.569 1.00 51.03 H new ATOM 0 HA SER A 116 1.826 7.557 7.118 1.00 4.31 H new ATOM 0 HB2 SER A 116 2.625 9.377 8.568 1.00 62.13 H new ATOM 0 HB3 SER A 116 0.910 9.154 8.847 1.00 62.13 H new ATOM 0 HG SER A 116 3.104 8.386 10.507 1.00 12.20 H new ATOM 1798 N THR A 117 4.359 7.375 8.011 1.00 60.14 N ATOM 1799 CA THR A 117 5.731 6.942 8.311 1.00 24.30 C ATOM 1800 C THR A 117 6.114 7.276 9.761 1.00 71.53 C ATOM 1801 O THR A 117 5.281 7.739 10.547 1.00 14.24 O ATOM 1802 CB THR A 117 6.760 7.605 7.360 1.00 33.44 C ATOM 1803 OG1 THR A 117 6.581 9.029 7.346 1.00 1.50 O ATOM 1804 CG2 THR A 117 6.634 7.062 5.945 1.00 43.41 C ATOM 0 H THR A 117 4.304 8.234 7.464 1.00 60.14 H new ATOM 0 HA THR A 117 5.755 5.862 8.166 1.00 24.30 H new ATOM 0 HB THR A 117 7.756 7.368 7.733 1.00 33.44 H new ATOM 0 HG1 THR A 117 7.292 9.443 6.813 1.00 1.50 H new ATOM 0 HG21 THR A 117 7.369 7.547 5.302 1.00 43.41 H new ATOM 0 HG22 THR A 117 6.810 5.986 5.951 1.00 43.41 H new ATOM 0 HG23 THR A 117 5.632 7.263 5.566 1.00 43.41 H new ATOM 1812 N VAL A 118 7.373 7.031 10.115 1.00 42.11 N ATOM 1813 CA VAL A 118 7.876 7.333 11.459 1.00 74.03 C ATOM 1814 C VAL A 118 8.127 8.842 11.635 1.00 20.23 C ATOM 1815 O VAL A 118 9.009 9.408 10.988 1.00 51.54 O ATOM 1816 CB VAL A 118 9.192 6.564 11.745 1.00 14.54 C ATOM 1817 CG1 VAL A 118 9.699 6.854 13.158 1.00 24.31 C ATOM 1818 CG2 VAL A 118 8.997 5.062 11.533 1.00 71.13 C ATOM 0 H VAL A 118 8.068 6.623 9.490 1.00 42.11 H new ATOM 0 HA VAL A 118 7.110 7.014 12.166 1.00 74.03 H new ATOM 0 HB VAL A 118 9.947 6.912 11.040 1.00 14.54 H new ATOM 0 HG11 VAL A 118 10.623 6.303 13.333 1.00 24.31 H new ATOM 0 HG12 VAL A 118 9.888 7.922 13.265 1.00 24.31 H new ATOM 0 HG13 VAL A 118 8.948 6.544 13.885 1.00 24.31 H new ATOM 0 HG21 VAL A 118 9.932 4.541 11.739 1.00 71.13 H new ATOM 0 HG22 VAL A 118 8.222 4.697 12.207 1.00 71.13 H new ATOM 0 HG23 VAL A 118 8.698 4.876 10.502 1.00 71.13 H new