USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 601 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 16 THR OG1 : rot -137:sc= -3.72! USER MOD Set 1.2: A 19 ASN : amide:sc= -5.78! K(o=-9.5!,f=-4) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0121 X(o=-0.012,f=-0.038) USER MOD Single : A 26 ASN : amide:sc= -5.71! C(o=-5.7!,f=-15!) USER MOD Single : A 28 ASN : amide:sc= -0.097 X(o=-0.097,f=-0.022) USER MOD Single : A 29 LYS NZ :NH3+ -149:sc= -0.14 (180deg=-0.789) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -116:sc= 0.971 (180deg=-2.4) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0069 USER MOD Single : A 56 THR OG1 : rot 148:sc= 0.875 USER MOD Single : A 57 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.21) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -91:sc= -1.81! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 90:sc= 0.694 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -8.56! C(o=-8.6!,f=-5.8!) USER MOD Single : A 88 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0234) USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 15 70.132 10.094 -2.630 1.00 0.00 N ATOM 191 CA THR A 15 70.201 9.896 -1.154 1.00 0.00 C ATOM 192 C THR A 15 71.572 10.327 -0.630 1.00 0.00 C ATOM 193 O THR A 15 71.809 10.359 0.560 1.00 0.00 O ATOM 194 CB THR A 15 69.992 8.395 -0.940 1.00 0.00 C ATOM 195 OG1 THR A 15 68.613 8.085 -1.094 1.00 0.00 O ATOM 196 CG2 THR A 15 70.450 8.007 0.467 1.00 0.00 C ATOM 0 HA THR A 15 69.455 10.488 -0.623 1.00 0.00 H new ATOM 0 HB THR A 15 70.575 7.839 -1.674 1.00 0.00 H new ATOM 0 HG1 THR A 15 68.477 7.124 -0.959 1.00 0.00 H new ATOM 0 HG21 THR A 15 70.300 6.938 0.617 1.00 0.00 H new ATOM 0 HG22 THR A 15 71.507 8.245 0.584 1.00 0.00 H new ATOM 0 HG23 THR A 15 69.870 8.561 1.204 1.00 0.00 H new ATOM 204 N THR A 16 72.477 10.657 -1.509 1.00 0.00 N ATOM 205 CA THR A 16 73.832 11.082 -1.054 1.00 0.00 C ATOM 206 C THR A 16 74.727 11.399 -2.254 1.00 0.00 C ATOM 207 O THR A 16 74.441 11.006 -3.368 1.00 0.00 O ATOM 208 CB THR A 16 74.384 9.884 -0.282 1.00 0.00 C ATOM 209 OG1 THR A 16 73.625 8.727 -0.602 1.00 0.00 O ATOM 210 CG2 THR A 16 74.290 10.158 1.218 1.00 0.00 C ATOM 0 H THR A 16 72.339 10.651 -2.520 1.00 0.00 H new ATOM 0 HA THR A 16 73.793 11.984 -0.443 1.00 0.00 H new ATOM 0 HB THR A 16 75.427 9.722 -0.556 1.00 0.00 H new ATOM 0 HG1 THR A 16 73.444 8.218 0.216 1.00 0.00 H new ATOM 0 HG21 THR A 16 74.684 9.304 1.769 1.00 0.00 H new ATOM 0 HG22 THR A 16 74.871 11.047 1.463 1.00 0.00 H new ATOM 0 HG23 THR A 16 73.248 10.319 1.494 1.00 0.00 H new ATOM 218 N PRO A 17 75.784 12.109 -1.975 1.00 0.00 N ATOM 219 CA PRO A 17 76.743 12.502 -3.033 1.00 0.00 C ATOM 220 C PRO A 17 77.668 11.332 -3.393 1.00 0.00 C ATOM 221 O PRO A 17 78.039 11.156 -4.535 1.00 0.00 O ATOM 222 CB PRO A 17 77.537 13.633 -2.389 1.00 0.00 C ATOM 223 CG PRO A 17 77.438 13.397 -0.913 1.00 0.00 C ATOM 224 CD PRO A 17 76.172 12.618 -0.657 1.00 0.00 C ATOM 0 HA PRO A 17 76.253 12.796 -3.961 1.00 0.00 H new ATOM 0 HB2 PRO A 17 78.575 13.622 -2.720 1.00 0.00 H new ATOM 0 HB3 PRO A 17 77.126 14.606 -2.660 1.00 0.00 H new ATOM 0 HG2 PRO A 17 78.306 12.844 -0.555 1.00 0.00 H new ATOM 0 HG3 PRO A 17 77.419 14.345 -0.375 1.00 0.00 H new ATOM 0 HD2 PRO A 17 76.342 11.805 0.049 1.00 0.00 H new ATOM 0 HD3 PRO A 17 75.394 13.252 -0.231 1.00 0.00 H new ATOM 232 N PHE A 18 78.054 10.540 -2.428 1.00 0.00 N ATOM 233 CA PHE A 18 78.965 9.398 -2.728 1.00 0.00 C ATOM 234 C PHE A 18 78.211 8.066 -2.674 1.00 0.00 C ATOM 235 O PHE A 18 77.777 7.625 -1.628 1.00 0.00 O ATOM 236 CB PHE A 18 80.036 9.452 -1.638 1.00 0.00 C ATOM 237 CG PHE A 18 80.826 10.731 -1.778 1.00 0.00 C ATOM 238 CD1 PHE A 18 81.836 10.828 -2.742 1.00 0.00 C ATOM 239 CD2 PHE A 18 80.544 11.819 -0.945 1.00 0.00 C ATOM 240 CE1 PHE A 18 82.566 12.016 -2.873 1.00 0.00 C ATOM 241 CE2 PHE A 18 81.273 13.008 -1.076 1.00 0.00 C ATOM 242 CZ PHE A 18 82.284 13.106 -2.040 1.00 0.00 C ATOM 0 H PHE A 18 77.779 10.634 -1.450 1.00 0.00 H new ATOM 0 HA PHE A 18 79.390 9.470 -3.729 1.00 0.00 H new ATOM 0 HB2 PHE A 18 79.572 9.404 -0.653 1.00 0.00 H new ATOM 0 HB3 PHE A 18 80.699 8.591 -1.720 1.00 0.00 H new ATOM 0 HD1 PHE A 18 82.052 9.987 -3.384 1.00 0.00 H new ATOM 0 HD2 PHE A 18 79.765 11.742 -0.201 1.00 0.00 H new ATOM 0 HE1 PHE A 18 83.346 12.092 -3.616 1.00 0.00 H new ATOM 0 HE2 PHE A 18 81.055 13.849 -0.434 1.00 0.00 H new ATOM 0 HZ PHE A 18 82.846 14.022 -2.141 1.00 0.00 H new ATOM 252 N ASN A 19 78.065 7.418 -3.797 1.00 0.00 N ATOM 253 CA ASN A 19 77.356 6.109 -3.828 1.00 0.00 C ATOM 254 C ASN A 19 78.140 5.131 -4.703 1.00 0.00 C ATOM 255 O ASN A 19 78.736 5.515 -5.691 1.00 0.00 O ATOM 256 CB ASN A 19 75.988 6.392 -4.452 1.00 0.00 C ATOM 257 CG ASN A 19 75.464 7.755 -3.988 1.00 0.00 C ATOM 258 OD1 ASN A 19 75.008 8.547 -4.788 1.00 0.00 O ATOM 259 ND2 ASN A 19 75.510 8.062 -2.721 1.00 0.00 N ATOM 0 H ASN A 19 78.409 7.742 -4.701 1.00 0.00 H new ATOM 0 HA ASN A 19 77.258 5.670 -2.835 1.00 0.00 H new ATOM 0 HB2 ASN A 19 76.066 6.376 -5.539 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.284 5.609 -4.171 1.00 0.00 H new ATOM 0 HD21 ASN A 19 75.163 8.967 -2.403 1.00 0.00 H new ATOM 0 HD22 ASN A 19 75.893 7.397 -2.049 1.00 0.00 H new ATOM 266 N LEU A 20 78.153 3.877 -4.355 1.00 0.00 N ATOM 267 CA LEU A 20 78.909 2.895 -5.183 1.00 0.00 C ATOM 268 C LEU A 20 78.341 1.489 -5.003 1.00 0.00 C ATOM 269 O LEU A 20 77.354 1.286 -4.323 1.00 0.00 O ATOM 270 CB LEU A 20 80.346 2.963 -4.663 1.00 0.00 C ATOM 271 CG LEU A 20 80.347 2.831 -3.139 1.00 0.00 C ATOM 272 CD1 LEU A 20 80.011 1.391 -2.750 1.00 0.00 C ATOM 273 CD2 LEU A 20 81.732 3.195 -2.600 1.00 0.00 C ATOM 0 H LEU A 20 77.678 3.490 -3.540 1.00 0.00 H new ATOM 0 HA LEU A 20 78.846 3.123 -6.247 1.00 0.00 H new ATOM 0 HB2 LEU A 20 80.942 2.166 -5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 20 80.805 3.907 -4.957 1.00 0.00 H new ATOM 0 HG LEU A 20 79.601 3.503 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 20 80.012 1.298 -1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 20 79.025 1.130 -3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 20 80.756 0.717 -3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 20 81.736 3.102 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 20 82.476 2.521 -3.025 1.00 0.00 H new ATOM 0 HD23 LEU A 20 81.972 4.222 -2.877 1.00 0.00 H new ATOM 285 N PHE A 21 78.959 0.515 -5.611 1.00 0.00 N ATOM 286 CA PHE A 21 78.461 -0.882 -5.480 1.00 0.00 C ATOM 287 C PHE A 21 79.444 -1.713 -4.653 1.00 0.00 C ATOM 288 O PHE A 21 80.602 -1.374 -4.519 1.00 0.00 O ATOM 289 CB PHE A 21 78.382 -1.409 -6.913 1.00 0.00 C ATOM 290 CG PHE A 21 77.971 -2.862 -6.895 1.00 0.00 C ATOM 291 CD1 PHE A 21 76.723 -3.229 -6.376 1.00 0.00 C ATOM 292 CD2 PHE A 21 78.836 -3.841 -7.396 1.00 0.00 C ATOM 293 CE1 PHE A 21 76.341 -4.576 -6.360 1.00 0.00 C ATOM 294 CE2 PHE A 21 78.453 -5.188 -7.380 1.00 0.00 C ATOM 295 CZ PHE A 21 77.206 -5.555 -6.861 1.00 0.00 C ATOM 0 H PHE A 21 79.789 0.627 -6.194 1.00 0.00 H new ATOM 0 HA PHE A 21 77.497 -0.935 -4.975 1.00 0.00 H new ATOM 0 HB2 PHE A 21 77.664 -0.824 -7.487 1.00 0.00 H new ATOM 0 HB3 PHE A 21 79.348 -1.300 -7.405 1.00 0.00 H new ATOM 0 HD1 PHE A 21 76.056 -2.473 -5.988 1.00 0.00 H new ATOM 0 HD2 PHE A 21 79.799 -3.558 -7.795 1.00 0.00 H new ATOM 0 HE1 PHE A 21 75.378 -4.859 -5.961 1.00 0.00 H new ATOM 0 HE2 PHE A 21 79.120 -5.944 -7.768 1.00 0.00 H new ATOM 0 HZ PHE A 21 76.911 -6.594 -6.847 1.00 0.00 H new ATOM 305 N ILE A 22 78.988 -2.801 -4.102 1.00 0.00 N ATOM 306 CA ILE A 22 79.890 -3.663 -3.286 1.00 0.00 C ATOM 307 C ILE A 22 79.638 -5.132 -3.615 1.00 0.00 C ATOM 308 O ILE A 22 78.598 -5.496 -4.127 1.00 0.00 O ATOM 309 CB ILE A 22 79.526 -3.361 -1.831 1.00 0.00 C ATOM 310 CG1 ILE A 22 80.110 -2.004 -1.432 1.00 0.00 C ATOM 311 CG2 ILE A 22 80.102 -4.448 -0.924 1.00 0.00 C ATOM 312 CD1 ILE A 22 79.769 -1.712 0.030 1.00 0.00 C ATOM 0 H ILE A 22 78.027 -3.133 -4.181 1.00 0.00 H new ATOM 0 HA ILE A 22 80.944 -3.468 -3.483 1.00 0.00 H new ATOM 0 HB ILE A 22 78.441 -3.337 -1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 22 81.191 -2.006 -1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 22 79.708 -1.220 -2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 22 79.842 -4.232 0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.688 -5.416 -1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 22 81.187 -4.472 -1.029 1.00 0.00 H new ATOM 0 HD11 ILE A 22 80.185 -0.745 0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 22 78.686 -1.692 0.154 1.00 0.00 H new ATOM 0 HD13 ILE A 22 80.193 -2.490 0.665 1.00 0.00 H new ATOM 324 N GLY A 23 80.583 -5.980 -3.330 1.00 0.00 N ATOM 325 CA GLY A 23 80.400 -7.425 -3.632 1.00 0.00 C ATOM 326 C GLY A 23 81.130 -8.265 -2.587 1.00 0.00 C ATOM 327 O GLY A 23 81.792 -7.747 -1.712 1.00 0.00 O ATOM 0 H GLY A 23 81.475 -5.735 -2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 23 79.339 -7.674 -3.636 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.784 -7.650 -4.627 1.00 0.00 H new ATOM 331 N ASN A 24 81.015 -9.560 -2.671 1.00 0.00 N ATOM 332 CA ASN A 24 81.707 -10.436 -1.682 1.00 0.00 C ATOM 333 C ASN A 24 81.171 -10.171 -0.274 1.00 0.00 C ATOM 334 O ASN A 24 81.910 -9.829 0.628 1.00 0.00 O ATOM 335 CB ASN A 24 83.182 -10.046 -1.773 1.00 0.00 C ATOM 336 CG ASN A 24 84.052 -11.295 -1.619 1.00 0.00 C ATOM 337 OD1 ASN A 24 83.987 -12.199 -2.428 1.00 0.00 O ATOM 338 ND2 ASN A 24 84.870 -11.384 -0.606 1.00 0.00 N ATOM 0 H ASN A 24 80.472 -10.051 -3.381 1.00 0.00 H new ATOM 0 HA ASN A 24 81.550 -11.495 -1.888 1.00 0.00 H new ATOM 0 HB2 ASN A 24 83.383 -9.566 -2.730 1.00 0.00 H new ATOM 0 HB3 ASN A 24 83.426 -9.322 -0.996 1.00 0.00 H new ATOM 0 HD21 ASN A 24 85.454 -12.212 -0.494 1.00 0.00 H new ATOM 0 HD22 ASN A 24 84.925 -10.625 0.073 1.00 0.00 H new ATOM 345 N LEU A 25 79.891 -10.328 -0.077 1.00 0.00 N ATOM 346 CA LEU A 25 79.310 -10.086 1.273 1.00 0.00 C ATOM 347 C LEU A 25 79.319 -11.380 2.090 1.00 0.00 C ATOM 348 O LEU A 25 80.269 -11.682 2.784 1.00 0.00 O ATOM 349 CB LEU A 25 77.876 -9.625 1.007 1.00 0.00 C ATOM 350 CG LEU A 25 77.840 -8.100 0.903 1.00 0.00 C ATOM 351 CD1 LEU A 25 78.256 -7.487 2.241 1.00 0.00 C ATOM 352 CD2 LEU A 25 78.808 -7.642 -0.190 1.00 0.00 C ATOM 0 H LEU A 25 79.223 -10.613 -0.793 1.00 0.00 H new ATOM 0 HA LEU A 25 79.875 -9.349 1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 25 77.505 -10.072 0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 25 77.220 -9.961 1.810 1.00 0.00 H new ATOM 0 HG LEU A 25 76.829 -7.776 0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.230 -6.400 2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 25 77.568 -7.814 3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 25 79.267 -7.810 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.784 -6.555 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 25 79.818 -7.966 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 25 78.513 -8.079 -1.144 1.00 0.00 H new ATOM 364 N ASN A 26 78.267 -12.147 2.013 1.00 0.00 N ATOM 365 CA ASN A 26 78.209 -13.422 2.782 1.00 0.00 C ATOM 366 C ASN A 26 76.886 -14.140 2.503 1.00 0.00 C ATOM 367 O ASN A 26 75.897 -13.900 3.168 1.00 0.00 O ATOM 368 CB ASN A 26 78.293 -13.006 4.251 1.00 0.00 C ATOM 369 CG ASN A 26 78.304 -14.253 5.134 1.00 0.00 C ATOM 370 OD1 ASN A 26 77.601 -15.208 4.869 1.00 0.00 O ATOM 371 ND2 ASN A 26 79.081 -14.288 6.183 1.00 0.00 N ATOM 0 H ASN A 26 77.442 -11.945 1.448 1.00 0.00 H new ATOM 0 HA ASN A 26 79.011 -14.108 2.509 1.00 0.00 H new ATOM 0 HB2 ASN A 26 79.195 -12.418 4.422 1.00 0.00 H new ATOM 0 HB3 ASN A 26 77.445 -12.372 4.509 1.00 0.00 H new ATOM 0 HD21 ASN A 26 79.097 -15.116 6.778 1.00 0.00 H new ATOM 0 HD22 ASN A 26 79.672 -13.487 6.407 1.00 0.00 H new ATOM 378 N PRO A 27 76.914 -15.000 1.523 1.00 0.00 N ATOM 379 CA PRO A 27 75.700 -15.765 1.145 1.00 0.00 C ATOM 380 C PRO A 27 75.387 -16.828 2.202 1.00 0.00 C ATOM 381 O PRO A 27 74.311 -17.392 2.229 1.00 0.00 O ATOM 382 CB PRO A 27 76.085 -16.413 -0.183 1.00 0.00 C ATOM 383 CG PRO A 27 77.579 -16.495 -0.152 1.00 0.00 C ATOM 384 CD PRO A 27 78.066 -15.339 0.682 1.00 0.00 C ATOM 0 HA PRO A 27 74.808 -15.144 1.067 1.00 0.00 H new ATOM 0 HB2 PRO A 27 75.637 -17.401 -0.285 1.00 0.00 H new ATOM 0 HB3 PRO A 27 75.739 -15.818 -1.028 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.904 -17.443 0.276 1.00 0.00 H new ATOM 0 HG3 PRO A 27 77.989 -16.443 -1.161 1.00 0.00 H new ATOM 0 HD2 PRO A 27 78.931 -15.617 1.283 1.00 0.00 H new ATOM 0 HD3 PRO A 27 78.368 -14.497 0.060 1.00 0.00 H new ATOM 392 N ASN A 28 76.316 -17.102 3.076 1.00 0.00 N ATOM 393 CA ASN A 28 76.070 -18.126 4.131 1.00 0.00 C ATOM 394 C ASN A 28 75.298 -17.502 5.295 1.00 0.00 C ATOM 395 O ASN A 28 74.762 -18.191 6.141 1.00 0.00 O ATOM 396 CB ASN A 28 77.460 -18.571 4.585 1.00 0.00 C ATOM 397 CG ASN A 28 78.290 -18.977 3.365 1.00 0.00 C ATOM 398 OD1 ASN A 28 79.438 -18.599 3.243 1.00 0.00 O ATOM 399 ND2 ASN A 28 77.752 -19.737 2.450 1.00 0.00 N ATOM 0 H ASN A 28 77.235 -16.661 3.105 1.00 0.00 H new ATOM 0 HA ASN A 28 75.476 -18.964 3.766 1.00 0.00 H new ATOM 0 HB2 ASN A 28 77.955 -17.762 5.122 1.00 0.00 H new ATOM 0 HB3 ASN A 28 77.377 -19.409 5.277 1.00 0.00 H new ATOM 0 HD21 ASN A 28 78.296 -20.014 1.632 1.00 0.00 H new ATOM 0 HD22 ASN A 28 76.788 -20.054 2.553 1.00 0.00 H new ATOM 406 N LYS A 29 75.236 -16.201 5.341 1.00 0.00 N ATOM 407 CA LYS A 29 74.498 -15.523 6.443 1.00 0.00 C ATOM 408 C LYS A 29 73.315 -14.740 5.872 1.00 0.00 C ATOM 409 O LYS A 29 72.822 -15.036 4.801 1.00 0.00 O ATOM 410 CB LYS A 29 75.517 -14.574 7.076 1.00 0.00 C ATOM 411 CG LYS A 29 75.841 -15.042 8.495 1.00 0.00 C ATOM 412 CD LYS A 29 74.540 -15.270 9.269 1.00 0.00 C ATOM 413 CE LYS A 29 74.459 -14.283 10.434 1.00 0.00 C ATOM 414 NZ LYS A 29 75.567 -14.674 11.350 1.00 0.00 N ATOM 0 H LYS A 29 75.666 -15.575 4.660 1.00 0.00 H new ATOM 0 HA LYS A 29 74.094 -16.227 7.170 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.426 -14.547 6.475 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.119 -13.559 7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.422 -15.963 8.461 1.00 0.00 H new ATOM 0 HG3 LYS A 29 76.453 -14.297 9.004 1.00 0.00 H new ATOM 0 HD2 LYS A 29 73.683 -15.139 8.608 1.00 0.00 H new ATOM 0 HD3 LYS A 29 74.501 -16.293 9.642 1.00 0.00 H new ATOM 0 HE2 LYS A 29 74.576 -13.256 10.089 1.00 0.00 H new ATOM 0 HE3 LYS A 29 73.493 -14.343 10.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 75.299 -14.458 12.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 75.750 -15.694 11.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 76.427 -14.144 11.101 1.00 0.00 H new ATOM 428 N SER A 30 72.857 -13.744 6.574 1.00 0.00 N ATOM 429 CA SER A 30 71.707 -12.944 6.065 1.00 0.00 C ATOM 430 C SER A 30 72.203 -11.650 5.425 1.00 0.00 C ATOM 431 O SER A 30 73.196 -11.077 5.839 1.00 0.00 O ATOM 432 CB SER A 30 70.864 -12.625 7.294 1.00 0.00 C ATOM 433 OG SER A 30 70.810 -13.765 8.141 1.00 0.00 O ATOM 0 H SER A 30 73.227 -13.448 7.477 1.00 0.00 H new ATOM 0 HA SER A 30 71.141 -13.486 5.307 1.00 0.00 H new ATOM 0 HB2 SER A 30 71.292 -11.779 7.832 1.00 0.00 H new ATOM 0 HB3 SER A 30 69.858 -12.335 6.992 1.00 0.00 H new ATOM 0 HG SER A 30 70.269 -13.559 8.932 1.00 0.00 H new ATOM 439 N VAL A 31 71.516 -11.174 4.429 1.00 0.00 N ATOM 440 CA VAL A 31 71.950 -9.911 3.779 1.00 0.00 C ATOM 441 C VAL A 31 71.740 -8.744 4.744 1.00 0.00 C ATOM 442 O VAL A 31 72.438 -7.751 4.696 1.00 0.00 O ATOM 443 CB VAL A 31 71.070 -9.767 2.539 1.00 0.00 C ATOM 444 CG1 VAL A 31 71.569 -8.593 1.694 1.00 0.00 C ATOM 445 CG2 VAL A 31 71.142 -11.053 1.711 1.00 0.00 C ATOM 0 H VAL A 31 70.677 -11.602 4.038 1.00 0.00 H new ATOM 0 HA VAL A 31 73.006 -9.919 3.509 1.00 0.00 H new ATOM 0 HB VAL A 31 70.039 -9.586 2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 31 70.942 -8.489 0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 31 71.522 -7.676 2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 31 72.599 -8.776 1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 31 70.514 -10.951 0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 31 72.173 -11.232 1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 31 70.790 -11.892 2.311 1.00 0.00 H new ATOM 455 N ALA A 32 70.793 -8.866 5.635 1.00 0.00 N ATOM 456 CA ALA A 32 70.553 -7.773 6.617 1.00 0.00 C ATOM 457 C ALA A 32 71.759 -7.665 7.548 1.00 0.00 C ATOM 458 O ALA A 32 72.211 -6.587 7.883 1.00 0.00 O ATOM 459 CB ALA A 32 69.305 -8.196 7.393 1.00 0.00 C ATOM 0 H ALA A 32 70.177 -9.674 5.724 1.00 0.00 H new ATOM 0 HA ALA A 32 70.414 -6.801 6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.065 -7.437 8.138 1.00 0.00 H new ATOM 0 HB2 ALA A 32 68.468 -8.305 6.704 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.491 -9.147 7.891 1.00 0.00 H new ATOM 465 N GLU A 33 72.293 -8.784 7.954 1.00 0.00 N ATOM 466 CA GLU A 33 73.484 -8.763 8.848 1.00 0.00 C ATOM 467 C GLU A 33 74.684 -8.211 8.079 1.00 0.00 C ATOM 468 O GLU A 33 75.536 -7.545 8.631 1.00 0.00 O ATOM 469 CB GLU A 33 73.717 -10.224 9.237 1.00 0.00 C ATOM 470 CG GLU A 33 72.498 -10.752 9.995 1.00 0.00 C ATOM 471 CD GLU A 33 72.261 -9.899 11.241 1.00 0.00 C ATOM 472 OE1 GLU A 33 73.044 -10.012 12.170 1.00 0.00 O ATOM 473 OE2 GLU A 33 71.301 -9.146 11.246 1.00 0.00 O ATOM 0 H GLU A 33 71.955 -9.713 7.704 1.00 0.00 H new ATOM 0 HA GLU A 33 73.341 -8.134 9.727 1.00 0.00 H new ATOM 0 HB2 GLU A 33 73.892 -10.825 8.345 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.609 -10.308 9.858 1.00 0.00 H new ATOM 0 HG2 GLU A 33 71.618 -10.727 9.352 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.656 -11.792 10.279 1.00 0.00 H new ATOM 480 N LEU A 34 74.746 -8.472 6.801 1.00 0.00 N ATOM 481 CA LEU A 34 75.875 -7.952 5.992 1.00 0.00 C ATOM 482 C LEU A 34 75.791 -6.430 5.942 1.00 0.00 C ATOM 483 O LEU A 34 76.787 -5.735 6.001 1.00 0.00 O ATOM 484 CB LEU A 34 75.666 -8.559 4.608 1.00 0.00 C ATOM 485 CG LEU A 34 76.220 -9.984 4.588 1.00 0.00 C ATOM 486 CD1 LEU A 34 75.677 -10.727 3.367 1.00 0.00 C ATOM 487 CD2 LEU A 34 77.748 -9.933 4.520 1.00 0.00 C ATOM 0 H LEU A 34 74.060 -9.024 6.286 1.00 0.00 H new ATOM 0 HA LEU A 34 76.854 -8.208 6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 34 74.605 -8.566 4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 34 76.166 -7.952 3.854 1.00 0.00 H new ATOM 0 HG LEU A 34 75.913 -10.507 5.494 1.00 0.00 H new ATOM 0 HD11 LEU A 34 76.072 -11.743 3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 34 74.589 -10.762 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 34 75.982 -10.207 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 34 78.146 -10.948 4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 34 78.055 -9.410 3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 34 78.134 -9.405 5.392 1.00 0.00 H new ATOM 499 N LYS A 35 74.599 -5.907 5.854 1.00 0.00 N ATOM 500 CA LYS A 35 74.439 -4.429 5.823 1.00 0.00 C ATOM 501 C LYS A 35 74.999 -3.842 7.118 1.00 0.00 C ATOM 502 O LYS A 35 75.802 -2.932 7.107 1.00 0.00 O ATOM 503 CB LYS A 35 72.932 -4.190 5.725 1.00 0.00 C ATOM 504 CG LYS A 35 72.665 -2.950 4.868 1.00 0.00 C ATOM 505 CD LYS A 35 72.069 -3.376 3.525 1.00 0.00 C ATOM 506 CE LYS A 35 73.069 -4.262 2.779 1.00 0.00 C ATOM 507 NZ LYS A 35 74.144 -3.333 2.329 1.00 0.00 N ATOM 0 H LYS A 35 73.731 -6.440 5.802 1.00 0.00 H new ATOM 0 HA LYS A 35 74.967 -3.961 4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 35 72.443 -5.060 5.287 1.00 0.00 H new ATOM 0 HB3 LYS A 35 72.509 -4.055 6.721 1.00 0.00 H new ATOM 0 HG2 LYS A 35 71.980 -2.278 5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 35 73.592 -2.399 4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 35 71.136 -3.917 3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 35 71.829 -2.497 2.927 1.00 0.00 H new ATOM 0 HE2 LYS A 35 73.467 -5.042 3.428 1.00 0.00 H new ATOM 0 HE3 LYS A 35 72.599 -4.762 1.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 74.166 -3.305 1.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 73.955 -2.379 2.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 75.062 -3.666 2.686 1.00 0.00 H new ATOM 521 N VAL A 36 74.591 -4.379 8.236 1.00 0.00 N ATOM 522 CA VAL A 36 75.111 -3.877 9.539 1.00 0.00 C ATOM 523 C VAL A 36 76.620 -4.068 9.584 1.00 0.00 C ATOM 524 O VAL A 36 77.334 -3.259 10.129 1.00 0.00 O ATOM 525 CB VAL A 36 74.438 -4.745 10.593 1.00 0.00 C ATOM 526 CG1 VAL A 36 74.651 -4.128 11.977 1.00 0.00 C ATOM 527 CG2 VAL A 36 72.939 -4.838 10.302 1.00 0.00 C ATOM 0 H VAL A 36 73.920 -5.144 8.303 1.00 0.00 H new ATOM 0 HA VAL A 36 74.905 -2.818 9.695 1.00 0.00 H new ATOM 0 HB VAL A 36 74.874 -5.744 10.569 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.169 -4.750 12.731 1.00 0.00 H new ATOM 0 HG12 VAL A 36 75.719 -4.065 12.187 1.00 0.00 H new ATOM 0 HG13 VAL A 36 74.217 -3.128 12.000 1.00 0.00 H new ATOM 0 HG21 VAL A 36 72.460 -5.460 11.058 1.00 0.00 H new ATOM 0 HG22 VAL A 36 72.502 -3.840 10.323 1.00 0.00 H new ATOM 0 HG23 VAL A 36 72.786 -5.281 9.318 1.00 0.00 H new ATOM 537 N ALA A 37 77.114 -5.125 9.003 1.00 0.00 N ATOM 538 CA ALA A 37 78.584 -5.339 9.008 1.00 0.00 C ATOM 539 C ALA A 37 79.244 -4.156 8.314 1.00 0.00 C ATOM 540 O ALA A 37 80.335 -3.748 8.652 1.00 0.00 O ATOM 541 CB ALA A 37 78.809 -6.631 8.221 1.00 0.00 C ATOM 0 H ALA A 37 76.567 -5.844 8.529 1.00 0.00 H new ATOM 0 HA ALA A 37 79.005 -5.418 10.010 1.00 0.00 H new ATOM 0 HB1 ALA A 37 79.876 -6.853 8.183 1.00 0.00 H new ATOM 0 HB2 ALA A 37 78.285 -7.452 8.711 1.00 0.00 H new ATOM 0 HB3 ALA A 37 78.427 -6.511 7.207 1.00 0.00 H new ATOM 547 N ILE A 38 78.570 -3.589 7.353 1.00 0.00 N ATOM 548 CA ILE A 38 79.134 -2.413 6.641 1.00 0.00 C ATOM 549 C ILE A 38 78.900 -1.155 7.476 1.00 0.00 C ATOM 550 O ILE A 38 79.693 -0.235 7.467 1.00 0.00 O ATOM 551 CB ILE A 38 78.362 -2.338 5.323 1.00 0.00 C ATOM 552 CG1 ILE A 38 78.602 -3.615 4.517 1.00 0.00 C ATOM 553 CG2 ILE A 38 78.846 -1.131 4.518 1.00 0.00 C ATOM 554 CD1 ILE A 38 80.104 -3.881 4.418 1.00 0.00 C ATOM 0 H ILE A 38 77.651 -3.891 7.030 1.00 0.00 H new ATOM 0 HA ILE A 38 80.207 -2.497 6.472 1.00 0.00 H new ATOM 0 HB ILE A 38 77.297 -2.235 5.532 1.00 0.00 H new ATOM 0 HG12 ILE A 38 78.103 -4.458 4.995 1.00 0.00 H new ATOM 0 HG13 ILE A 38 78.173 -3.514 3.520 1.00 0.00 H new ATOM 0 HG21 ILE A 38 78.297 -1.076 3.578 1.00 0.00 H new ATOM 0 HG22 ILE A 38 78.676 -0.220 5.091 1.00 0.00 H new ATOM 0 HG23 ILE A 38 79.911 -1.236 4.310 1.00 0.00 H new ATOM 0 HD11 ILE A 38 80.275 -4.791 3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 38 80.590 -3.041 3.921 1.00 0.00 H new ATOM 0 HD13 ILE A 38 80.519 -4.000 5.419 1.00 0.00 H new ATOM 566 N SER A 39 77.822 -1.112 8.216 1.00 0.00 N ATOM 567 CA SER A 39 77.557 0.086 9.061 1.00 0.00 C ATOM 568 C SER A 39 78.422 0.007 10.317 1.00 0.00 C ATOM 569 O SER A 39 78.736 1.001 10.943 1.00 0.00 O ATOM 570 CB SER A 39 76.074 0.004 9.419 1.00 0.00 C ATOM 571 OG SER A 39 75.345 0.920 8.613 1.00 0.00 O ATOM 0 H SER A 39 77.120 -1.850 8.270 1.00 0.00 H new ATOM 0 HA SER A 39 77.790 1.024 8.556 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.706 -1.010 9.262 1.00 0.00 H new ATOM 0 HB3 SER A 39 75.929 0.235 10.474 1.00 0.00 H new ATOM 0 HG SER A 39 74.393 0.869 8.839 1.00 0.00 H new ATOM 577 N GLU A 40 78.817 -1.180 10.673 1.00 0.00 N ATOM 578 CA GLU A 40 79.672 -1.361 11.873 1.00 0.00 C ATOM 579 C GLU A 40 81.133 -1.172 11.481 1.00 0.00 C ATOM 580 O GLU A 40 81.914 -0.589 12.206 1.00 0.00 O ATOM 581 CB GLU A 40 79.403 -2.791 12.316 1.00 0.00 C ATOM 582 CG GLU A 40 79.255 -2.839 13.837 1.00 0.00 C ATOM 583 CD GLU A 40 80.610 -3.158 14.473 1.00 0.00 C ATOM 584 OE1 GLU A 40 81.617 -2.898 13.836 1.00 0.00 O ATOM 585 OE2 GLU A 40 80.616 -3.656 15.588 1.00 0.00 O ATOM 0 H GLU A 40 78.581 -2.040 10.179 1.00 0.00 H new ATOM 0 HA GLU A 40 79.461 -0.647 12.669 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.496 -3.165 11.841 1.00 0.00 H new ATOM 0 HB3 GLU A 40 80.220 -3.440 12.000 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.884 -1.883 14.207 1.00 0.00 H new ATOM 0 HG3 GLU A 40 78.523 -3.596 14.118 1.00 0.00 H new ATOM 592 N LEU A 41 81.498 -1.647 10.325 1.00 0.00 N ATOM 593 CA LEU A 41 82.902 -1.477 9.867 1.00 0.00 C ATOM 594 C LEU A 41 83.163 0.004 9.624 1.00 0.00 C ATOM 595 O LEU A 41 84.249 0.502 9.842 1.00 0.00 O ATOM 596 CB LEU A 41 83.004 -2.271 8.561 1.00 0.00 C ATOM 597 CG LEU A 41 84.421 -2.825 8.408 1.00 0.00 C ATOM 598 CD1 LEU A 41 84.632 -3.975 9.395 1.00 0.00 C ATOM 599 CD2 LEU A 41 84.616 -3.341 6.979 1.00 0.00 C ATOM 0 H LEU A 41 80.886 -2.145 9.679 1.00 0.00 H new ATOM 0 HA LEU A 41 83.633 -1.828 10.595 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.282 -3.087 8.562 1.00 0.00 H new ATOM 0 HB3 LEU A 41 82.760 -1.630 7.714 1.00 0.00 H new ATOM 0 HG LEU A 41 85.142 -2.034 8.613 1.00 0.00 H new ATOM 0 HD11 LEU A 41 85.642 -4.369 9.284 1.00 0.00 H new ATOM 0 HD12 LEU A 41 84.494 -3.611 10.413 1.00 0.00 H new ATOM 0 HD13 LEU A 41 83.910 -4.766 9.192 1.00 0.00 H new ATOM 0 HD21 LEU A 41 85.626 -3.736 6.869 1.00 0.00 H new ATOM 0 HD22 LEU A 41 83.893 -4.131 6.776 1.00 0.00 H new ATOM 0 HD23 LEU A 41 84.468 -2.523 6.274 1.00 0.00 H new ATOM 611 N PHE A 42 82.159 0.714 9.194 1.00 0.00 N ATOM 612 CA PHE A 42 82.321 2.163 8.957 1.00 0.00 C ATOM 613 C PHE A 42 82.035 2.909 10.258 1.00 0.00 C ATOM 614 O PHE A 42 82.452 4.033 10.453 1.00 0.00 O ATOM 615 CB PHE A 42 81.271 2.493 7.905 1.00 0.00 C ATOM 616 CG PHE A 42 81.736 2.019 6.548 1.00 0.00 C ATOM 617 CD1 PHE A 42 83.065 2.212 6.154 1.00 0.00 C ATOM 618 CD2 PHE A 42 80.835 1.391 5.680 1.00 0.00 C ATOM 619 CE1 PHE A 42 83.493 1.776 4.895 1.00 0.00 C ATOM 620 CE2 PHE A 42 81.262 0.954 4.421 1.00 0.00 C ATOM 621 CZ PHE A 42 82.591 1.147 4.028 1.00 0.00 C ATOM 0 H PHE A 42 81.229 0.345 8.997 1.00 0.00 H new ATOM 0 HA PHE A 42 83.323 2.443 8.630 1.00 0.00 H new ATOM 0 HB2 PHE A 42 80.325 2.017 8.161 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.091 3.568 7.883 1.00 0.00 H new ATOM 0 HD1 PHE A 42 83.761 2.698 6.822 1.00 0.00 H new ATOM 0 HD2 PHE A 42 79.809 1.244 5.982 1.00 0.00 H new ATOM 0 HE1 PHE A 42 84.519 1.925 4.592 1.00 0.00 H new ATOM 0 HE2 PHE A 42 80.566 0.468 3.753 1.00 0.00 H new ATOM 0 HZ PHE A 42 82.921 0.811 3.056 1.00 0.00 H new ATOM 631 N ALA A 43 81.330 2.277 11.158 1.00 0.00 N ATOM 632 CA ALA A 43 81.020 2.933 12.458 1.00 0.00 C ATOM 633 C ALA A 43 82.225 2.799 13.389 1.00 0.00 C ATOM 634 O ALA A 43 82.469 3.634 14.237 1.00 0.00 O ATOM 635 CB ALA A 43 79.818 2.170 13.017 1.00 0.00 C ATOM 0 H ALA A 43 80.956 1.335 11.048 1.00 0.00 H new ATOM 0 HA ALA A 43 80.802 3.996 12.353 1.00 0.00 H new ATOM 0 HB1 ALA A 43 79.530 2.597 13.978 1.00 0.00 H new ATOM 0 HB2 ALA A 43 78.983 2.247 12.321 1.00 0.00 H new ATOM 0 HB3 ALA A 43 80.083 1.121 13.151 1.00 0.00 H new ATOM 641 N LYS A 44 82.986 1.753 13.222 1.00 0.00 N ATOM 642 CA LYS A 44 84.189 1.556 14.078 1.00 0.00 C ATOM 643 C LYS A 44 85.383 2.278 13.450 1.00 0.00 C ATOM 644 O LYS A 44 86.378 2.538 14.097 1.00 0.00 O ATOM 645 CB LYS A 44 84.419 0.044 14.094 1.00 0.00 C ATOM 646 CG LYS A 44 83.396 -0.617 15.020 1.00 0.00 C ATOM 647 CD LYS A 44 84.118 -1.543 16.001 1.00 0.00 C ATOM 648 CE LYS A 44 83.093 -2.211 16.920 1.00 0.00 C ATOM 649 NZ LYS A 44 83.730 -3.488 17.344 1.00 0.00 N ATOM 0 H LYS A 44 82.826 1.024 12.527 1.00 0.00 H new ATOM 0 HA LYS A 44 84.062 1.953 15.085 1.00 0.00 H new ATOM 0 HB2 LYS A 44 84.327 -0.359 13.086 1.00 0.00 H new ATOM 0 HB3 LYS A 44 85.430 -0.177 14.435 1.00 0.00 H new ATOM 0 HG2 LYS A 44 82.838 0.144 15.566 1.00 0.00 H new ATOM 0 HG3 LYS A 44 82.672 -1.184 14.434 1.00 0.00 H new ATOM 0 HD2 LYS A 44 84.681 -2.300 15.456 1.00 0.00 H new ATOM 0 HD3 LYS A 44 84.837 -0.975 16.592 1.00 0.00 H new ATOM 0 HE2 LYS A 44 82.863 -1.580 17.779 1.00 0.00 H new ATOM 0 HE3 LYS A 44 82.154 -2.393 16.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 83.086 -4.003 17.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 83.931 -4.070 16.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 84.618 -3.283 17.845 1.00 0.00 H new ATOM 663 N ASN A 45 85.284 2.605 12.190 1.00 0.00 N ATOM 664 CA ASN A 45 86.401 3.314 11.509 1.00 0.00 C ATOM 665 C ASN A 45 86.188 4.826 11.595 1.00 0.00 C ATOM 666 O ASN A 45 87.113 5.595 11.423 1.00 0.00 O ATOM 667 CB ASN A 45 86.334 2.844 10.057 1.00 0.00 C ATOM 668 CG ASN A 45 87.377 1.751 9.827 1.00 0.00 C ATOM 669 OD1 ASN A 45 88.309 1.933 9.069 1.00 0.00 O ATOM 670 ND2 ASN A 45 87.260 0.613 10.455 1.00 0.00 N ATOM 0 H ASN A 45 84.474 2.410 11.602 1.00 0.00 H new ATOM 0 HA ASN A 45 87.370 3.102 11.962 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.338 2.464 9.832 1.00 0.00 H new ATOM 0 HB3 ASN A 45 86.515 3.682 9.384 1.00 0.00 H new ATOM 0 HD21 ASN A 45 87.951 -0.123 10.309 1.00 0.00 H new ATOM 0 HD22 ASN A 45 86.478 0.460 11.091 1.00 0.00 H new ATOM 677 N ASP A 46 84.962 5.243 11.836 1.00 0.00 N ATOM 678 CA ASP A 46 84.618 6.701 11.928 1.00 0.00 C ATOM 679 C ASP A 46 84.233 7.195 10.545 1.00 0.00 C ATOM 680 O ASP A 46 84.408 8.348 10.202 1.00 0.00 O ATOM 681 CB ASP A 46 85.856 7.437 12.457 1.00 0.00 C ATOM 682 CG ASP A 46 85.420 8.712 13.181 1.00 0.00 C ATOM 683 OD1 ASP A 46 84.226 8.947 13.259 1.00 0.00 O ATOM 684 OD2 ASP A 46 86.289 9.432 13.645 1.00 0.00 O ATOM 0 H ASP A 46 84.169 4.617 11.976 1.00 0.00 H new ATOM 0 HA ASP A 46 83.779 6.879 12.601 1.00 0.00 H new ATOM 0 HB2 ASP A 46 86.413 6.792 13.137 1.00 0.00 H new ATOM 0 HB3 ASP A 46 86.525 7.685 11.633 1.00 0.00 H new ATOM 689 N LEU A 47 83.695 6.315 9.755 1.00 0.00 N ATOM 690 CA LEU A 47 83.271 6.694 8.388 1.00 0.00 C ATOM 691 C LEU A 47 81.981 7.515 8.468 1.00 0.00 C ATOM 692 O LEU A 47 81.836 8.379 9.311 1.00 0.00 O ATOM 693 CB LEU A 47 83.051 5.353 7.673 1.00 0.00 C ATOM 694 CG LEU A 47 83.680 5.406 6.280 1.00 0.00 C ATOM 695 CD1 LEU A 47 82.936 6.423 5.413 1.00 0.00 C ATOM 696 CD2 LEU A 47 85.148 5.819 6.401 1.00 0.00 C ATOM 0 H LEU A 47 83.530 5.339 10.002 1.00 0.00 H new ATOM 0 HA LEU A 47 83.998 7.310 7.858 1.00 0.00 H new ATOM 0 HB2 LEU A 47 83.494 4.543 8.253 1.00 0.00 H new ATOM 0 HB3 LEU A 47 81.985 5.142 7.594 1.00 0.00 H new ATOM 0 HG LEU A 47 83.612 4.421 5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 47 83.389 6.456 4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 47 81.890 6.130 5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 47 82.999 7.409 5.874 1.00 0.00 H new ATOM 0 HD21 LEU A 47 85.598 5.857 5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 47 85.212 6.802 6.867 1.00 0.00 H new ATOM 0 HD23 LEU A 47 85.681 5.092 7.014 1.00 0.00 H new ATOM 708 N ALA A 48 81.048 7.254 7.607 1.00 0.00 N ATOM 709 CA ALA A 48 79.768 8.013 7.633 1.00 0.00 C ATOM 710 C ALA A 48 78.793 7.407 6.628 1.00 0.00 C ATOM 711 O ALA A 48 78.322 8.064 5.721 1.00 0.00 O ATOM 712 CB ALA A 48 80.138 9.443 7.242 1.00 0.00 C ATOM 0 H ALA A 48 81.114 6.543 6.879 1.00 0.00 H new ATOM 0 HA ALA A 48 79.283 7.983 8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 48 79.242 10.063 7.240 1.00 0.00 H new ATOM 0 HB2 ALA A 48 80.854 9.843 7.960 1.00 0.00 H new ATOM 0 HB3 ALA A 48 80.583 9.445 6.247 1.00 0.00 H new ATOM 718 N VAL A 49 78.493 6.153 6.790 1.00 0.00 N ATOM 719 CA VAL A 49 77.560 5.477 5.867 1.00 0.00 C ATOM 720 C VAL A 49 76.215 6.189 5.867 1.00 0.00 C ATOM 721 O VAL A 49 75.531 6.270 6.867 1.00 0.00 O ATOM 722 CB VAL A 49 77.428 4.066 6.424 1.00 0.00 C ATOM 723 CG1 VAL A 49 78.726 3.297 6.179 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.150 4.134 7.927 1.00 0.00 C ATOM 0 H VAL A 49 78.863 5.563 7.535 1.00 0.00 H new ATOM 0 HA VAL A 49 77.912 5.478 4.836 1.00 0.00 H new ATOM 0 HB VAL A 49 76.604 3.555 5.926 1.00 0.00 H new ATOM 0 HG11 VAL A 49 78.631 2.287 6.578 1.00 0.00 H new ATOM 0 HG12 VAL A 49 78.923 3.247 5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 49 79.551 3.808 6.676 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.056 3.124 8.326 1.00 0.00 H new ATOM 0 HG22 VAL A 49 77.973 4.646 8.426 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.223 4.681 8.101 1.00 0.00 H new ATOM 734 N VAL A 50 75.845 6.708 4.742 1.00 0.00 N ATOM 735 CA VAL A 50 74.548 7.434 4.635 1.00 0.00 C ATOM 736 C VAL A 50 73.471 6.496 4.089 1.00 0.00 C ATOM 737 O VAL A 50 72.314 6.592 4.449 1.00 0.00 O ATOM 738 CB VAL A 50 74.803 8.592 3.664 1.00 0.00 C ATOM 739 CG1 VAL A 50 73.806 9.717 3.942 1.00 0.00 C ATOM 740 CG2 VAL A 50 76.223 9.131 3.856 1.00 0.00 C ATOM 0 H VAL A 50 76.386 6.664 3.879 1.00 0.00 H new ATOM 0 HA VAL A 50 74.198 7.797 5.602 1.00 0.00 H new ATOM 0 HB VAL A 50 74.685 8.231 2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 50 73.986 10.541 3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.790 9.345 3.806 1.00 0.00 H new ATOM 0 HG13 VAL A 50 73.930 10.068 4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.397 9.954 3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 50 76.342 9.488 4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 50 76.943 8.336 3.663 1.00 0.00 H new ATOM 750 N ASP A 51 73.835 5.586 3.225 1.00 0.00 N ATOM 751 CA ASP A 51 72.811 4.649 2.674 1.00 0.00 C ATOM 752 C ASP A 51 73.406 3.257 2.458 1.00 0.00 C ATOM 753 O ASP A 51 74.578 3.103 2.181 1.00 0.00 O ATOM 754 CB ASP A 51 72.384 5.256 1.341 1.00 0.00 C ATOM 755 CG ASP A 51 70.954 4.821 1.015 1.00 0.00 C ATOM 756 OD1 ASP A 51 70.086 5.045 1.843 1.00 0.00 O ATOM 757 OD2 ASP A 51 70.752 4.270 -0.054 1.00 0.00 O ATOM 0 H ASP A 51 74.785 5.451 2.880 1.00 0.00 H new ATOM 0 HA ASP A 51 71.970 4.527 3.357 1.00 0.00 H new ATOM 0 HB2 ASP A 51 72.442 6.343 1.390 1.00 0.00 H new ATOM 0 HB3 ASP A 51 73.062 4.935 0.550 1.00 0.00 H new ATOM 762 N VAL A 52 72.595 2.244 2.585 1.00 0.00 N ATOM 763 CA VAL A 52 73.087 0.851 2.391 1.00 0.00 C ATOM 764 C VAL A 52 72.059 0.045 1.592 1.00 0.00 C ATOM 765 O VAL A 52 70.873 0.302 1.655 1.00 0.00 O ATOM 766 CB VAL A 52 73.249 0.256 3.799 1.00 0.00 C ATOM 767 CG1 VAL A 52 74.723 0.301 4.205 1.00 0.00 C ATOM 768 CG2 VAL A 52 72.418 1.038 4.827 1.00 0.00 C ATOM 0 H VAL A 52 71.605 2.322 2.817 1.00 0.00 H new ATOM 0 HA VAL A 52 74.028 0.828 1.841 1.00 0.00 H new ATOM 0 HB VAL A 52 72.896 -0.775 3.778 1.00 0.00 H new ATOM 0 HG11 VAL A 52 74.838 -0.121 5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 52 75.314 -0.279 3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 52 75.069 1.335 4.206 1.00 0.00 H new ATOM 0 HG21 VAL A 52 72.551 0.596 5.814 1.00 0.00 H new ATOM 0 HG22 VAL A 52 72.748 2.077 4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 52 71.365 0.997 4.550 1.00 0.00 H new ATOM 778 N ARG A 53 72.501 -0.928 0.843 1.00 0.00 N ATOM 779 CA ARG A 53 71.541 -1.746 0.045 1.00 0.00 C ATOM 780 C ARG A 53 72.126 -3.132 -0.236 1.00 0.00 C ATOM 781 O ARG A 53 73.310 -3.360 -0.084 1.00 0.00 O ATOM 782 CB ARG A 53 71.345 -0.973 -1.258 1.00 0.00 C ATOM 783 CG ARG A 53 69.995 -0.253 -1.227 1.00 0.00 C ATOM 784 CD ARG A 53 70.204 1.239 -1.493 1.00 0.00 C ATOM 785 NE ARG A 53 68.830 1.806 -1.600 1.00 0.00 N ATOM 786 CZ ARG A 53 68.516 2.572 -2.608 1.00 0.00 C ATOM 787 NH1 ARG A 53 69.010 2.329 -3.791 1.00 0.00 N ATOM 788 NH2 ARG A 53 67.708 3.582 -2.434 1.00 0.00 N ATOM 0 H ARG A 53 73.482 -1.192 0.748 1.00 0.00 H new ATOM 0 HA ARG A 53 70.599 -1.902 0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 53 72.151 -0.251 -1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 53 71.386 -1.655 -2.107 1.00 0.00 H new ATOM 0 HG2 ARG A 53 69.328 -0.677 -1.978 1.00 0.00 H new ATOM 0 HG3 ARG A 53 69.517 -0.397 -0.258 1.00 0.00 H new ATOM 0 HD2 ARG A 53 70.764 1.710 -0.685 1.00 0.00 H new ATOM 0 HD3 ARG A 53 70.771 1.401 -2.410 1.00 0.00 H new ATOM 0 HE ARG A 53 68.134 1.595 -0.884 1.00 0.00 H new ATOM 0 HH11 ARG A 53 69.642 1.540 -3.928 1.00 0.00 H new ATOM 0 HH12 ARG A 53 68.764 2.928 -4.579 1.00 0.00 H new ATOM 0 HH21 ARG A 53 67.322 3.773 -1.509 1.00 0.00 H new ATOM 0 HH22 ARG A 53 67.463 4.181 -3.223 1.00 0.00 H new ATOM 802 N THR A 54 71.303 -4.058 -0.640 1.00 0.00 N ATOM 803 CA THR A 54 71.794 -5.428 -0.925 1.00 0.00 C ATOM 804 C THR A 54 72.108 -5.588 -2.416 1.00 0.00 C ATOM 805 O THR A 54 71.743 -4.764 -3.231 1.00 0.00 O ATOM 806 CB THR A 54 70.629 -6.328 -0.525 1.00 0.00 C ATOM 807 OG1 THR A 54 69.500 -6.045 -1.345 1.00 0.00 O ATOM 808 CG2 THR A 54 70.272 -6.082 0.941 1.00 0.00 C ATOM 0 H THR A 54 70.303 -3.920 -0.785 1.00 0.00 H new ATOM 0 HA THR A 54 72.713 -5.665 -0.389 1.00 0.00 H new ATOM 0 HB THR A 54 70.918 -7.371 -0.658 1.00 0.00 H new ATOM 0 HG1 THR A 54 68.754 -6.626 -1.087 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.440 -6.725 1.226 1.00 0.00 H new ATOM 0 HG22 THR A 54 71.135 -6.306 1.568 1.00 0.00 H new ATOM 0 HG23 THR A 54 69.987 -5.039 1.076 1.00 0.00 H new ATOM 816 N GLY A 55 72.786 -6.644 -2.774 1.00 0.00 N ATOM 817 CA GLY A 55 73.130 -6.863 -4.209 1.00 0.00 C ATOM 818 C GLY A 55 72.659 -8.253 -4.642 1.00 0.00 C ATOM 819 O GLY A 55 73.111 -9.260 -4.132 1.00 0.00 O ATOM 0 H GLY A 55 73.117 -7.366 -2.134 1.00 0.00 H new ATOM 0 HA2 GLY A 55 72.659 -6.099 -4.827 1.00 0.00 H new ATOM 0 HA3 GLY A 55 74.206 -6.771 -4.354 1.00 0.00 H new ATOM 823 N THR A 56 71.753 -8.316 -5.580 1.00 0.00 N ATOM 824 CA THR A 56 71.251 -9.639 -6.050 1.00 0.00 C ATOM 825 C THR A 56 70.716 -10.452 -4.868 1.00 0.00 C ATOM 826 O THR A 56 70.422 -9.918 -3.817 1.00 0.00 O ATOM 827 CB THR A 56 72.468 -10.326 -6.670 1.00 0.00 C ATOM 828 OG1 THR A 56 73.308 -9.350 -7.267 1.00 0.00 O ATOM 829 CG2 THR A 56 72.006 -11.324 -7.733 1.00 0.00 C ATOM 0 H THR A 56 71.338 -7.507 -6.042 1.00 0.00 H new ATOM 0 HA THR A 56 70.432 -9.542 -6.763 1.00 0.00 H new ATOM 0 HB THR A 56 73.021 -10.855 -5.894 1.00 0.00 H new ATOM 0 HG1 THR A 56 74.243 -9.636 -7.197 1.00 0.00 H new ATOM 0 HG21 THR A 56 72.874 -11.813 -8.174 1.00 0.00 H new ATOM 0 HG22 THR A 56 71.362 -12.073 -7.273 1.00 0.00 H new ATOM 0 HG23 THR A 56 71.452 -10.797 -8.510 1.00 0.00 H new ATOM 837 N ASN A 57 70.586 -11.741 -5.032 1.00 0.00 N ATOM 838 CA ASN A 57 70.068 -12.588 -3.919 1.00 0.00 C ATOM 839 C ASN A 57 70.697 -12.161 -2.590 1.00 0.00 C ATOM 840 O ASN A 57 70.082 -11.484 -1.791 1.00 0.00 O ATOM 841 CB ASN A 57 70.491 -14.013 -4.279 1.00 0.00 C ATOM 842 CG ASN A 57 69.819 -14.430 -5.588 1.00 0.00 C ATOM 843 OD1 ASN A 57 70.473 -14.553 -6.605 1.00 0.00 O ATOM 844 ND2 ASN A 57 68.534 -14.655 -5.606 1.00 0.00 N ATOM 0 H ASN A 57 70.816 -12.244 -5.889 1.00 0.00 H new ATOM 0 HA ASN A 57 68.988 -12.499 -3.800 1.00 0.00 H new ATOM 0 HB2 ASN A 57 71.575 -14.067 -4.381 1.00 0.00 H new ATOM 0 HB3 ASN A 57 70.212 -14.699 -3.480 1.00 0.00 H new ATOM 0 HD21 ASN A 57 68.077 -14.934 -6.474 1.00 0.00 H new ATOM 0 HD22 ASN A 57 67.986 -14.551 -4.752 1.00 0.00 H new ATOM 851 N ARG A 58 71.919 -12.551 -2.349 1.00 0.00 N ATOM 852 CA ARG A 58 72.585 -12.167 -1.072 1.00 0.00 C ATOM 853 C ARG A 58 74.098 -12.357 -1.184 1.00 0.00 C ATOM 854 O ARG A 58 74.722 -12.957 -0.331 1.00 0.00 O ATOM 855 CB ARG A 58 72.004 -13.111 -0.021 1.00 0.00 C ATOM 856 CG ARG A 58 72.081 -14.552 -0.532 1.00 0.00 C ATOM 857 CD ARG A 58 71.236 -15.458 0.366 1.00 0.00 C ATOM 858 NE ARG A 58 69.948 -15.627 -0.363 1.00 0.00 N ATOM 859 CZ ARG A 58 69.304 -16.759 -0.295 1.00 0.00 C ATOM 860 NH1 ARG A 58 69.962 -17.886 -0.314 1.00 0.00 N ATOM 861 NH2 ARG A 58 68.002 -16.765 -0.208 1.00 0.00 N ATOM 0 H ARG A 58 72.484 -13.118 -2.980 1.00 0.00 H new ATOM 0 HA ARG A 58 72.415 -11.121 -0.819 1.00 0.00 H new ATOM 0 HB2 ARG A 58 72.556 -13.015 0.914 1.00 0.00 H new ATOM 0 HB3 ARG A 58 70.969 -12.844 0.191 1.00 0.00 H new ATOM 0 HG2 ARG A 58 71.722 -14.604 -1.560 1.00 0.00 H new ATOM 0 HG3 ARG A 58 73.117 -14.892 -0.538 1.00 0.00 H new ATOM 0 HD2 ARG A 58 71.725 -16.418 0.531 1.00 0.00 H new ATOM 0 HD3 ARG A 58 71.079 -15.007 1.346 1.00 0.00 H new ATOM 0 HE ARG A 58 69.570 -14.857 -0.915 1.00 0.00 H new ATOM 0 HH11 ARG A 58 70.980 -17.881 -0.382 1.00 0.00 H new ATOM 0 HH12 ARG A 58 69.459 -18.771 -0.261 1.00 0.00 H new ATOM 0 HH21 ARG A 58 67.488 -15.884 -0.193 1.00 0.00 H new ATOM 0 HH22 ARG A 58 67.498 -17.650 -0.155 1.00 0.00 H new ATOM 875 N LYS A 59 74.694 -11.853 -2.229 1.00 0.00 N ATOM 876 CA LYS A 59 76.166 -12.009 -2.390 1.00 0.00 C ATOM 877 C LYS A 59 76.832 -10.641 -2.562 1.00 0.00 C ATOM 878 O LYS A 59 78.006 -10.475 -2.297 1.00 0.00 O ATOM 879 CB LYS A 59 76.340 -12.855 -3.651 1.00 0.00 C ATOM 880 CG LYS A 59 77.006 -14.184 -3.287 1.00 0.00 C ATOM 881 CD LYS A 59 78.010 -14.567 -4.376 1.00 0.00 C ATOM 882 CE LYS A 59 78.410 -16.035 -4.208 1.00 0.00 C ATOM 883 NZ LYS A 59 78.990 -16.427 -5.522 1.00 0.00 N ATOM 0 H LYS A 59 74.226 -11.341 -2.977 1.00 0.00 H new ATOM 0 HA LYS A 59 76.628 -12.476 -1.520 1.00 0.00 H new ATOM 0 HB2 LYS A 59 75.371 -13.037 -4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 59 76.948 -12.319 -4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 59 77.512 -14.098 -2.325 1.00 0.00 H new ATOM 0 HG3 LYS A 59 76.252 -14.964 -3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 59 77.572 -14.409 -5.361 1.00 0.00 H new ATOM 0 HD3 LYS A 59 78.892 -13.929 -4.313 1.00 0.00 H new ATOM 0 HE2 LYS A 59 79.135 -16.157 -3.404 1.00 0.00 H new ATOM 0 HE3 LYS A 59 77.548 -16.653 -3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 79.289 -17.423 -5.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 78.275 -16.306 -6.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 79.813 -15.826 -5.731 1.00 0.00 H new ATOM 897 N PHE A 60 76.093 -9.659 -3.002 1.00 0.00 N ATOM 898 CA PHE A 60 76.692 -8.301 -3.185 1.00 0.00 C ATOM 899 C PHE A 60 75.833 -7.260 -2.466 1.00 0.00 C ATOM 900 O PHE A 60 74.832 -7.584 -1.859 1.00 0.00 O ATOM 901 CB PHE A 60 76.699 -8.028 -4.699 1.00 0.00 C ATOM 902 CG PHE A 60 76.735 -9.323 -5.479 1.00 0.00 C ATOM 903 CD1 PHE A 60 77.962 -9.907 -5.814 1.00 0.00 C ATOM 904 CD2 PHE A 60 75.539 -9.936 -5.868 1.00 0.00 C ATOM 905 CE1 PHE A 60 77.991 -11.104 -6.537 1.00 0.00 C ATOM 906 CE2 PHE A 60 75.567 -11.133 -6.590 1.00 0.00 C ATOM 907 CZ PHE A 60 76.794 -11.718 -6.926 1.00 0.00 C ATOM 0 H PHE A 60 75.105 -9.735 -3.242 1.00 0.00 H new ATOM 0 HA PHE A 60 77.700 -8.249 -2.773 1.00 0.00 H new ATOM 0 HB2 PHE A 60 75.812 -7.457 -4.974 1.00 0.00 H new ATOM 0 HB3 PHE A 60 77.564 -7.418 -4.959 1.00 0.00 H new ATOM 0 HD1 PHE A 60 78.886 -9.434 -5.515 1.00 0.00 H new ATOM 0 HD2 PHE A 60 74.593 -9.484 -5.610 1.00 0.00 H new ATOM 0 HE1 PHE A 60 78.938 -11.555 -6.796 1.00 0.00 H new ATOM 0 HE2 PHE A 60 74.643 -11.606 -6.888 1.00 0.00 H new ATOM 0 HZ PHE A 60 76.817 -12.642 -7.485 1.00 0.00 H new ATOM 917 N GLY A 61 76.210 -6.013 -2.526 1.00 0.00 N ATOM 918 CA GLY A 61 75.400 -4.966 -1.839 1.00 0.00 C ATOM 919 C GLY A 61 75.776 -3.575 -2.357 1.00 0.00 C ATOM 920 O GLY A 61 76.795 -3.389 -2.987 1.00 0.00 O ATOM 0 H GLY A 61 77.037 -5.674 -3.017 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.339 -5.149 -2.008 1.00 0.00 H new ATOM 0 HA3 GLY A 61 75.565 -5.017 -0.763 1.00 0.00 H new ATOM 924 N TYR A 62 74.953 -2.598 -2.085 1.00 0.00 N ATOM 925 CA TYR A 62 75.248 -1.208 -2.543 1.00 0.00 C ATOM 926 C TYR A 62 75.332 -0.282 -1.327 1.00 0.00 C ATOM 927 O TYR A 62 74.936 -0.648 -0.238 1.00 0.00 O ATOM 928 CB TYR A 62 74.064 -0.825 -3.433 1.00 0.00 C ATOM 929 CG TYR A 62 74.522 0.133 -4.507 1.00 0.00 C ATOM 930 CD1 TYR A 62 74.744 1.478 -4.195 1.00 0.00 C ATOM 931 CD2 TYR A 62 74.722 -0.326 -5.814 1.00 0.00 C ATOM 932 CE1 TYR A 62 75.168 2.366 -5.192 1.00 0.00 C ATOM 933 CE2 TYR A 62 75.144 0.561 -6.810 1.00 0.00 C ATOM 934 CZ TYR A 62 75.368 1.908 -6.500 1.00 0.00 C ATOM 935 OH TYR A 62 75.784 2.783 -7.482 1.00 0.00 O ATOM 0 H TYR A 62 74.084 -2.703 -1.562 1.00 0.00 H new ATOM 0 HA TYR A 62 76.194 -1.130 -3.079 1.00 0.00 H new ATOM 0 HB2 TYR A 62 73.635 -1.718 -3.888 1.00 0.00 H new ATOM 0 HB3 TYR A 62 73.279 -0.365 -2.832 1.00 0.00 H new ATOM 0 HD1 TYR A 62 74.589 1.832 -3.186 1.00 0.00 H new ATOM 0 HD2 TYR A 62 74.551 -1.365 -6.054 1.00 0.00 H new ATOM 0 HE1 TYR A 62 75.341 3.405 -4.952 1.00 0.00 H new ATOM 0 HE2 TYR A 62 75.297 0.207 -7.819 1.00 0.00 H new ATOM 0 HH TYR A 62 75.875 2.302 -8.331 1.00 0.00 H new ATOM 945 N VAL A 63 75.846 0.909 -1.487 1.00 0.00 N ATOM 946 CA VAL A 63 75.942 1.817 -0.309 1.00 0.00 C ATOM 947 C VAL A 63 76.224 3.259 -0.733 1.00 0.00 C ATOM 948 O VAL A 63 76.568 3.540 -1.864 1.00 0.00 O ATOM 949 CB VAL A 63 77.097 1.246 0.525 1.00 0.00 C ATOM 950 CG1 VAL A 63 78.403 2.009 0.266 1.00 0.00 C ATOM 951 CG2 VAL A 63 76.746 1.334 2.011 1.00 0.00 C ATOM 0 H VAL A 63 76.198 1.287 -2.367 1.00 0.00 H new ATOM 0 HA VAL A 63 75.008 1.858 0.252 1.00 0.00 H new ATOM 0 HB VAL A 63 77.244 0.206 0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 63 79.201 1.580 0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 63 78.666 1.932 -0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 63 78.270 3.058 0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 63 77.566 0.928 2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 63 76.581 2.376 2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 63 75.840 0.760 2.205 1.00 0.00 H new ATOM 961 N ASP A 64 76.097 4.164 0.194 1.00 0.00 N ATOM 962 CA ASP A 64 76.366 5.593 -0.095 1.00 0.00 C ATOM 963 C ASP A 64 77.162 6.204 1.056 1.00 0.00 C ATOM 964 O ASP A 64 76.939 5.888 2.212 1.00 0.00 O ATOM 965 CB ASP A 64 74.999 6.249 -0.189 1.00 0.00 C ATOM 966 CG ASP A 64 74.200 5.631 -1.339 1.00 0.00 C ATOM 967 OD1 ASP A 64 74.811 5.017 -2.197 1.00 0.00 O ATOM 968 OD2 ASP A 64 72.990 5.786 -1.344 1.00 0.00 O ATOM 0 H ASP A 64 75.814 3.968 1.154 1.00 0.00 H new ATOM 0 HA ASP A 64 76.943 5.729 -1.009 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.460 6.121 0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 64 75.111 7.321 -0.348 1.00 0.00 H new ATOM 973 N PHE A 65 78.082 7.071 0.749 1.00 0.00 N ATOM 974 CA PHE A 65 78.906 7.703 1.820 1.00 0.00 C ATOM 975 C PHE A 65 78.457 9.144 2.069 1.00 0.00 C ATOM 976 O PHE A 65 77.516 9.625 1.470 1.00 0.00 O ATOM 977 CB PHE A 65 80.338 7.667 1.288 1.00 0.00 C ATOM 978 CG PHE A 65 80.923 6.298 1.536 1.00 0.00 C ATOM 979 CD1 PHE A 65 81.107 5.845 2.847 1.00 0.00 C ATOM 980 CD2 PHE A 65 81.277 5.481 0.456 1.00 0.00 C ATOM 981 CE1 PHE A 65 81.646 4.575 3.079 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.815 4.210 0.689 1.00 0.00 C ATOM 983 CZ PHE A 65 82.000 3.758 2.000 1.00 0.00 C ATOM 0 H PHE A 65 78.302 7.372 -0.200 1.00 0.00 H new ATOM 0 HA PHE A 65 78.810 7.181 2.772 1.00 0.00 H new ATOM 0 HB2 PHE A 65 80.349 7.893 0.222 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.942 8.429 1.781 1.00 0.00 H new ATOM 0 HD1 PHE A 65 80.833 6.476 3.680 1.00 0.00 H new ATOM 0 HD2 PHE A 65 81.135 5.831 -0.556 1.00 0.00 H new ATOM 0 HE1 PHE A 65 81.789 4.225 4.091 1.00 0.00 H new ATOM 0 HE2 PHE A 65 82.087 3.578 -0.143 1.00 0.00 H new ATOM 0 HZ PHE A 65 82.416 2.778 2.179 1.00 0.00 H new ATOM 993 N GLU A 66 79.116 9.831 2.964 1.00 0.00 N ATOM 994 CA GLU A 66 78.717 11.235 3.270 1.00 0.00 C ATOM 995 C GLU A 66 79.853 12.211 2.953 1.00 0.00 C ATOM 996 O GLU A 66 79.859 13.333 3.418 1.00 0.00 O ATOM 997 CB GLU A 66 78.419 11.237 4.769 1.00 0.00 C ATOM 998 CG GLU A 66 76.977 11.685 5.010 1.00 0.00 C ATOM 999 CD GLU A 66 76.963 13.148 5.459 1.00 0.00 C ATOM 1000 OE1 GLU A 66 77.307 13.399 6.602 1.00 0.00 O ATOM 1001 OE2 GLU A 66 76.609 13.991 4.652 1.00 0.00 O ATOM 0 H GLU A 66 79.913 9.481 3.496 1.00 0.00 H new ATOM 0 HA GLU A 66 77.862 11.553 2.673 1.00 0.00 H new ATOM 0 HB2 GLU A 66 78.573 10.240 5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 66 79.108 11.905 5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.392 11.568 4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 66 76.512 11.056 5.770 1.00 0.00 H new ATOM 1008 N SER A 67 80.810 11.805 2.168 1.00 0.00 N ATOM 1009 CA SER A 67 81.930 12.737 1.837 1.00 0.00 C ATOM 1010 C SER A 67 82.979 12.081 0.952 1.00 0.00 C ATOM 1011 O SER A 67 82.942 10.901 0.661 1.00 0.00 O ATOM 1012 CB SER A 67 82.569 13.101 3.172 1.00 0.00 C ATOM 1013 OG SER A 67 82.833 11.913 3.905 1.00 0.00 O ATOM 0 H SER A 67 80.869 10.879 1.744 1.00 0.00 H new ATOM 0 HA SER A 67 81.550 13.601 1.291 1.00 0.00 H new ATOM 0 HB2 SER A 67 83.494 13.653 3.007 1.00 0.00 H new ATOM 0 HB3 SER A 67 81.905 13.753 3.740 1.00 0.00 H new ATOM 0 HG SER A 67 82.061 11.699 4.470 1.00 0.00 H new ATOM 1019 N ALA A 68 83.945 12.859 0.572 1.00 0.00 N ATOM 1020 CA ALA A 68 85.059 12.338 -0.254 1.00 0.00 C ATOM 1021 C ALA A 68 85.966 11.544 0.659 1.00 0.00 C ATOM 1022 O ALA A 68 86.696 10.663 0.249 1.00 0.00 O ATOM 1023 CB ALA A 68 85.784 13.584 -0.745 1.00 0.00 C ATOM 0 H ALA A 68 84.011 13.850 0.803 1.00 0.00 H new ATOM 0 HA ALA A 68 84.740 11.703 -1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 68 86.629 13.291 -1.368 1.00 0.00 H new ATOM 0 HB2 ALA A 68 85.098 14.198 -1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 68 86.145 14.156 0.110 1.00 0.00 H new ATOM 1029 N GLU A 69 85.909 11.872 1.912 1.00 0.00 N ATOM 1030 CA GLU A 69 86.739 11.179 2.913 1.00 0.00 C ATOM 1031 C GLU A 69 86.113 9.825 3.240 1.00 0.00 C ATOM 1032 O GLU A 69 86.797 8.868 3.557 1.00 0.00 O ATOM 1033 CB GLU A 69 86.706 12.120 4.109 1.00 0.00 C ATOM 1034 CG GLU A 69 88.113 12.262 4.682 1.00 0.00 C ATOM 1035 CD GLU A 69 88.149 11.709 6.108 1.00 0.00 C ATOM 1036 OE1 GLU A 69 87.089 11.586 6.700 1.00 0.00 O ATOM 1037 OE2 GLU A 69 89.235 11.417 6.582 1.00 0.00 O ATOM 0 H GLU A 69 85.309 12.606 2.288 1.00 0.00 H new ATOM 0 HA GLU A 69 87.758 10.972 2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 69 86.324 13.095 3.808 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.029 11.734 4.871 1.00 0.00 H new ATOM 0 HG2 GLU A 69 88.826 11.726 4.056 1.00 0.00 H new ATOM 0 HG3 GLU A 69 88.412 13.310 4.681 1.00 0.00 H new ATOM 1044 N ASP A 70 84.817 9.722 3.118 1.00 0.00 N ATOM 1045 CA ASP A 70 84.157 8.421 3.378 1.00 0.00 C ATOM 1046 C ASP A 70 84.356 7.564 2.142 1.00 0.00 C ATOM 1047 O ASP A 70 84.414 6.353 2.203 1.00 0.00 O ATOM 1048 CB ASP A 70 82.677 8.744 3.589 1.00 0.00 C ATOM 1049 CG ASP A 70 82.507 9.562 4.869 1.00 0.00 C ATOM 1050 OD1 ASP A 70 83.356 9.450 5.738 1.00 0.00 O ATOM 1051 OD2 ASP A 70 81.531 10.288 4.956 1.00 0.00 O ATOM 0 H ASP A 70 84.193 10.483 2.850 1.00 0.00 H new ATOM 0 HA ASP A 70 84.554 7.889 4.243 1.00 0.00 H new ATOM 0 HB2 ASP A 70 82.291 9.301 2.736 1.00 0.00 H new ATOM 0 HB3 ASP A 70 82.099 7.822 3.655 1.00 0.00 H new ATOM 1056 N LEU A 71 84.486 8.207 1.014 1.00 0.00 N ATOM 1057 CA LEU A 71 84.710 7.456 -0.240 1.00 0.00 C ATOM 1058 C LEU A 71 86.166 6.988 -0.289 1.00 0.00 C ATOM 1059 O LEU A 71 86.472 5.902 -0.743 1.00 0.00 O ATOM 1060 CB LEU A 71 84.420 8.451 -1.364 1.00 0.00 C ATOM 1061 CG LEU A 71 85.002 7.922 -2.677 1.00 0.00 C ATOM 1062 CD1 LEU A 71 84.337 6.591 -3.031 1.00 0.00 C ATOM 1063 CD2 LEU A 71 84.742 8.936 -3.794 1.00 0.00 C ATOM 0 H LEU A 71 84.446 9.221 0.913 1.00 0.00 H new ATOM 0 HA LEU A 71 84.077 6.572 -0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 71 83.345 8.599 -1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 71 84.855 9.422 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 71 86.076 7.772 -2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 71 84.752 6.214 -3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 71 84.522 5.869 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 71 83.263 6.740 -3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 71 85.156 8.561 -4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 71 83.668 9.086 -3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 71 85.216 9.884 -3.542 1.00 0.00 H new ATOM 1075 N GLU A 72 87.067 7.803 0.195 1.00 0.00 N ATOM 1076 CA GLU A 72 88.506 7.415 0.198 1.00 0.00 C ATOM 1077 C GLU A 72 88.726 6.271 1.188 1.00 0.00 C ATOM 1078 O GLU A 72 89.545 5.395 0.975 1.00 0.00 O ATOM 1079 CB GLU A 72 89.257 8.669 0.646 1.00 0.00 C ATOM 1080 CG GLU A 72 90.630 8.710 -0.027 1.00 0.00 C ATOM 1081 CD GLU A 72 91.651 7.984 0.851 1.00 0.00 C ATOM 1082 OE1 GLU A 72 91.987 8.516 1.897 1.00 0.00 O ATOM 1083 OE2 GLU A 72 92.080 6.910 0.463 1.00 0.00 O ATOM 0 H GLU A 72 86.866 8.722 0.589 1.00 0.00 H new ATOM 0 HA GLU A 72 88.849 7.070 -0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.686 9.560 0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.372 8.669 1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 72 90.580 8.240 -1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 72 90.939 9.743 -0.184 1.00 0.00 H new ATOM 1090 N LYS A 73 87.975 6.248 2.255 1.00 0.00 N ATOM 1091 CA LYS A 73 88.122 5.143 3.229 1.00 0.00 C ATOM 1092 C LYS A 73 87.432 3.934 2.632 1.00 0.00 C ATOM 1093 O LYS A 73 87.807 2.800 2.858 1.00 0.00 O ATOM 1094 CB LYS A 73 87.407 5.617 4.496 1.00 0.00 C ATOM 1095 CG LYS A 73 88.080 6.890 5.015 1.00 0.00 C ATOM 1096 CD LYS A 73 89.205 6.514 5.981 1.00 0.00 C ATOM 1097 CE LYS A 73 89.562 7.727 6.845 1.00 0.00 C ATOM 1098 NZ LYS A 73 89.038 7.400 8.201 1.00 0.00 N ATOM 0 H LYS A 73 87.270 6.947 2.489 1.00 0.00 H new ATOM 0 HA LYS A 73 89.156 4.882 3.456 1.00 0.00 H new ATOM 0 HB2 LYS A 73 86.356 5.810 4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 73 87.440 4.838 5.258 1.00 0.00 H new ATOM 0 HG2 LYS A 73 88.480 7.469 4.182 1.00 0.00 H new ATOM 0 HG3 LYS A 73 87.349 7.521 5.520 1.00 0.00 H new ATOM 0 HD2 LYS A 73 88.893 5.683 6.613 1.00 0.00 H new ATOM 0 HD3 LYS A 73 90.081 6.180 5.424 1.00 0.00 H new ATOM 0 HE2 LYS A 73 90.639 7.893 6.867 1.00 0.00 H new ATOM 0 HE3 LYS A 73 89.107 8.638 6.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 89.244 8.185 8.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 88.010 7.254 8.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 89.494 6.533 8.549 1.00 0.00 H new ATOM 1112 N ALA A 74 86.431 4.184 1.834 1.00 0.00 N ATOM 1113 CA ALA A 74 85.718 3.069 1.184 1.00 0.00 C ATOM 1114 C ALA A 74 86.683 2.365 0.234 1.00 0.00 C ATOM 1115 O ALA A 74 86.600 1.174 0.008 1.00 0.00 O ATOM 1116 CB ALA A 74 84.566 3.714 0.416 1.00 0.00 C ATOM 0 H ALA A 74 86.082 5.116 1.609 1.00 0.00 H new ATOM 0 HA ALA A 74 85.344 2.328 1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 74 83.991 2.941 -0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 74 83.919 4.248 1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 74 84.965 4.413 -0.319 1.00 0.00 H new ATOM 1122 N LEU A 75 87.620 3.100 -0.303 1.00 0.00 N ATOM 1123 CA LEU A 75 88.619 2.490 -1.212 1.00 0.00 C ATOM 1124 C LEU A 75 89.582 1.657 -0.375 1.00 0.00 C ATOM 1125 O LEU A 75 89.915 0.538 -0.713 1.00 0.00 O ATOM 1126 CB LEU A 75 89.339 3.676 -1.851 1.00 0.00 C ATOM 1127 CG LEU A 75 89.892 3.269 -3.215 1.00 0.00 C ATOM 1128 CD1 LEU A 75 90.999 2.231 -3.027 1.00 0.00 C ATOM 1129 CD2 LEU A 75 88.768 2.672 -4.065 1.00 0.00 C ATOM 0 H LEU A 75 87.732 4.102 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 75 88.183 1.838 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 75 88.651 4.514 -1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 75 90.150 4.013 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 75 90.299 4.146 -3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 75 91.394 1.940 -4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 75 91.800 2.658 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 75 90.593 1.354 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 75 89.163 2.382 -5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 75 88.359 1.795 -3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 75 87.980 3.413 -4.200 1.00 0.00 H new ATOM 1141 N GLU A 76 90.015 2.192 0.736 1.00 0.00 N ATOM 1142 CA GLU A 76 90.936 1.428 1.615 1.00 0.00 C ATOM 1143 C GLU A 76 90.163 0.302 2.305 1.00 0.00 C ATOM 1144 O GLU A 76 90.730 -0.538 2.975 1.00 0.00 O ATOM 1145 CB GLU A 76 91.437 2.437 2.642 1.00 0.00 C ATOM 1146 CG GLU A 76 92.927 2.705 2.417 1.00 0.00 C ATOM 1147 CD GLU A 76 93.252 4.145 2.818 1.00 0.00 C ATOM 1148 OE1 GLU A 76 92.408 4.771 3.439 1.00 0.00 O ATOM 1149 OE2 GLU A 76 94.339 4.597 2.498 1.00 0.00 O ATOM 0 H GLU A 76 89.769 3.124 1.069 1.00 0.00 H new ATOM 0 HA GLU A 76 91.759 0.973 1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 76 90.874 3.366 2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.274 2.056 3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 76 93.525 2.009 3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 76 93.183 2.541 1.370 1.00 0.00 H new ATOM 1156 N LEU A 77 88.864 0.282 2.144 1.00 0.00 N ATOM 1157 CA LEU A 77 88.040 -0.783 2.784 1.00 0.00 C ATOM 1158 C LEU A 77 88.237 -2.123 2.066 1.00 0.00 C ATOM 1159 O LEU A 77 87.588 -3.102 2.379 1.00 0.00 O ATOM 1160 CB LEU A 77 86.595 -0.306 2.634 1.00 0.00 C ATOM 1161 CG LEU A 77 86.017 0.019 4.010 1.00 0.00 C ATOM 1162 CD1 LEU A 77 86.200 -1.184 4.937 1.00 0.00 C ATOM 1163 CD2 LEU A 77 86.748 1.230 4.595 1.00 0.00 C ATOM 0 H LEU A 77 88.338 0.961 1.594 1.00 0.00 H new ATOM 0 HA LEU A 77 88.316 -0.942 3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 77 86.557 0.576 1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 77 85.996 -1.077 2.149 1.00 0.00 H new ATOM 0 HG LEU A 77 84.955 0.245 3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 77 85.788 -0.953 5.919 1.00 0.00 H new ATOM 0 HD12 LEU A 77 85.681 -2.047 4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 77 87.262 -1.411 5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 77 86.337 1.464 5.577 1.00 0.00 H new ATOM 0 HD22 LEU A 77 87.810 1.003 4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 77 86.619 2.087 3.934 1.00 0.00 H new ATOM 1175 N THR A 78 89.126 -2.182 1.109 1.00 0.00 N ATOM 1176 CA THR A 78 89.354 -3.464 0.383 1.00 0.00 C ATOM 1177 C THR A 78 90.212 -4.409 1.221 1.00 0.00 C ATOM 1178 O THR A 78 90.622 -5.461 0.772 1.00 0.00 O ATOM 1179 CB THR A 78 90.088 -3.068 -0.895 1.00 0.00 C ATOM 1180 OG1 THR A 78 89.287 -2.160 -1.638 1.00 0.00 O ATOM 1181 CG2 THR A 78 90.367 -4.314 -1.735 1.00 0.00 C ATOM 0 H THR A 78 89.702 -1.399 0.800 1.00 0.00 H new ATOM 0 HA THR A 78 88.421 -3.989 0.175 1.00 0.00 H new ATOM 0 HB THR A 78 91.033 -2.590 -0.637 1.00 0.00 H new ATOM 0 HG1 THR A 78 89.487 -1.242 -1.358 1.00 0.00 H new ATOM 0 HG21 THR A 78 90.891 -4.028 -2.647 1.00 0.00 H new ATOM 0 HG22 THR A 78 90.984 -5.007 -1.164 1.00 0.00 H new ATOM 0 HG23 THR A 78 89.425 -4.797 -1.994 1.00 0.00 H new ATOM 1189 N GLY A 79 90.481 -4.039 2.434 1.00 0.00 N ATOM 1190 CA GLY A 79 91.307 -4.909 3.320 1.00 0.00 C ATOM 1191 C GLY A 79 90.482 -5.330 4.540 1.00 0.00 C ATOM 1192 O GLY A 79 91.018 -5.724 5.556 1.00 0.00 O ATOM 0 H GLY A 79 90.165 -3.167 2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 79 91.641 -5.790 2.772 1.00 0.00 H new ATOM 0 HA3 GLY A 79 92.202 -4.375 3.640 1.00 0.00 H new ATOM 1196 N LEU A 80 89.181 -5.241 4.453 1.00 0.00 N ATOM 1197 CA LEU A 80 88.327 -5.626 5.609 1.00 0.00 C ATOM 1198 C LEU A 80 87.301 -6.681 5.215 1.00 0.00 C ATOM 1199 O LEU A 80 86.478 -6.479 4.345 1.00 0.00 O ATOM 1200 CB LEU A 80 87.627 -4.339 6.013 1.00 0.00 C ATOM 1201 CG LEU A 80 88.380 -3.686 7.171 1.00 0.00 C ATOM 1202 CD1 LEU A 80 88.084 -2.186 7.194 1.00 0.00 C ATOM 1203 CD2 LEU A 80 87.927 -4.313 8.492 1.00 0.00 C ATOM 0 H LEU A 80 88.674 -4.917 3.629 1.00 0.00 H new ATOM 0 HA LEU A 80 88.915 -6.060 6.417 1.00 0.00 H new ATOM 0 HB2 LEU A 80 87.582 -3.656 5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 80 86.599 -4.550 6.308 1.00 0.00 H new ATOM 0 HG LEU A 80 89.451 -3.843 7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 80 88.622 -1.722 8.021 1.00 0.00 H new ATOM 0 HD12 LEU A 80 88.406 -1.737 6.254 1.00 0.00 H new ATOM 0 HD13 LEU A 80 87.013 -2.028 7.324 1.00 0.00 H new ATOM 0 HD21 LEU A 80 88.464 -3.848 9.319 1.00 0.00 H new ATOM 0 HD22 LEU A 80 86.856 -4.156 8.621 1.00 0.00 H new ATOM 0 HD23 LEU A 80 88.138 -5.382 8.479 1.00 0.00 H new ATOM 1215 N LYS A 81 87.328 -7.793 5.887 1.00 0.00 N ATOM 1216 CA LYS A 81 86.338 -8.865 5.600 1.00 0.00 C ATOM 1217 C LYS A 81 85.157 -8.686 6.522 1.00 0.00 C ATOM 1218 O LYS A 81 85.100 -9.211 7.613 1.00 0.00 O ATOM 1219 CB LYS A 81 87.017 -10.167 5.907 1.00 0.00 C ATOM 1220 CG LYS A 81 87.676 -10.722 4.647 1.00 0.00 C ATOM 1221 CD LYS A 81 88.779 -11.708 5.038 1.00 0.00 C ATOM 1222 CE LYS A 81 90.099 -11.283 4.391 1.00 0.00 C ATOM 1223 NZ LYS A 81 90.227 -12.143 3.181 1.00 0.00 N ATOM 0 H LYS A 81 87.996 -8.008 6.627 1.00 0.00 H new ATOM 0 HA LYS A 81 85.994 -8.836 4.566 1.00 0.00 H new ATOM 0 HB2 LYS A 81 87.766 -10.021 6.685 1.00 0.00 H new ATOM 0 HB3 LYS A 81 86.291 -10.883 6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 81 86.933 -11.220 4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 81 88.094 -9.908 4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 81 88.887 -11.738 6.122 1.00 0.00 H new ATOM 0 HD3 LYS A 81 88.512 -12.715 4.716 1.00 0.00 H new ATOM 0 HE2 LYS A 81 90.086 -10.226 4.125 1.00 0.00 H new ATOM 0 HE3 LYS A 81 90.938 -11.430 5.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 91.109 -11.911 2.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 90.243 -13.143 3.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 89.418 -11.976 2.549 1.00 0.00 H new ATOM 1237 N VAL A 82 84.242 -7.931 6.066 1.00 0.00 N ATOM 1238 CA VAL A 82 83.007 -7.630 6.847 1.00 0.00 C ATOM 1239 C VAL A 82 82.535 -8.848 7.643 1.00 0.00 C ATOM 1240 O VAL A 82 83.091 -9.192 8.667 1.00 0.00 O ATOM 1241 CB VAL A 82 81.984 -7.210 5.792 1.00 0.00 C ATOM 1242 CG1 VAL A 82 82.261 -5.767 5.371 1.00 0.00 C ATOM 1243 CG2 VAL A 82 82.086 -8.128 4.570 1.00 0.00 C ATOM 0 H VAL A 82 84.280 -7.482 5.151 1.00 0.00 H new ATOM 0 HA VAL A 82 83.168 -6.852 7.593 1.00 0.00 H new ATOM 0 HB VAL A 82 80.981 -7.287 6.211 1.00 0.00 H new ATOM 0 HG11 VAL A 82 81.534 -5.462 4.618 1.00 0.00 H new ATOM 0 HG12 VAL A 82 82.181 -5.113 6.239 1.00 0.00 H new ATOM 0 HG13 VAL A 82 83.266 -5.696 4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 82 81.354 -7.822 3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 82 83.088 -8.059 4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 82 81.889 -9.157 4.871 1.00 0.00 H new ATOM 1253 N PHE A 83 81.506 -9.488 7.196 1.00 0.00 N ATOM 1254 CA PHE A 83 80.989 -10.677 7.934 1.00 0.00 C ATOM 1255 C PHE A 83 81.794 -11.932 7.570 1.00 0.00 C ATOM 1256 O PHE A 83 81.340 -13.043 7.759 1.00 0.00 O ATOM 1257 CB PHE A 83 79.536 -10.825 7.482 1.00 0.00 C ATOM 1258 CG PHE A 83 78.621 -10.672 8.674 1.00 0.00 C ATOM 1259 CD1 PHE A 83 78.657 -9.499 9.438 1.00 0.00 C ATOM 1260 CD2 PHE A 83 77.736 -11.702 9.013 1.00 0.00 C ATOM 1261 CE1 PHE A 83 77.808 -9.357 10.543 1.00 0.00 C ATOM 1262 CE2 PHE A 83 76.888 -11.561 10.118 1.00 0.00 C ATOM 1263 CZ PHE A 83 76.924 -10.388 10.883 1.00 0.00 C ATOM 0 H PHE A 83 80.992 -9.245 6.349 1.00 0.00 H new ATOM 0 HA PHE A 83 81.072 -10.554 9.014 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.299 -10.073 6.729 1.00 0.00 H new ATOM 0 HB3 PHE A 83 79.386 -11.799 7.017 1.00 0.00 H new ATOM 0 HD1 PHE A 83 79.339 -8.704 9.175 1.00 0.00 H new ATOM 0 HD2 PHE A 83 77.707 -12.606 8.422 1.00 0.00 H new ATOM 0 HE1 PHE A 83 77.835 -8.452 11.133 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.206 -12.356 10.381 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.270 -10.279 11.735 1.00 0.00 H new ATOM 1273 N GLY A 84 82.984 -11.770 7.051 1.00 0.00 N ATOM 1274 CA GLY A 84 83.801 -12.959 6.684 1.00 0.00 C ATOM 1275 C GLY A 84 84.164 -12.885 5.202 1.00 0.00 C ATOM 1276 O GLY A 84 84.671 -13.829 4.630 1.00 0.00 O ATOM 0 H GLY A 84 83.422 -10.867 6.867 1.00 0.00 H new ATOM 0 HA2 GLY A 84 84.706 -12.994 7.290 1.00 0.00 H new ATOM 0 HA3 GLY A 84 83.245 -13.874 6.889 1.00 0.00 H new ATOM 1280 N ASN A 85 83.913 -11.768 4.574 1.00 0.00 N ATOM 1281 CA ASN A 85 84.250 -11.640 3.131 1.00 0.00 C ATOM 1282 C ASN A 85 84.696 -10.212 2.831 1.00 0.00 C ATOM 1283 O ASN A 85 83.943 -9.273 2.988 1.00 0.00 O ATOM 1284 CB ASN A 85 82.955 -11.968 2.387 1.00 0.00 C ATOM 1285 CG ASN A 85 82.319 -13.219 2.996 1.00 0.00 C ATOM 1286 OD1 ASN A 85 82.382 -14.288 2.421 1.00 0.00 O ATOM 1287 ND2 ASN A 85 81.705 -13.132 4.145 1.00 0.00 N ATOM 0 H ASN A 85 83.490 -10.942 4.998 1.00 0.00 H new ATOM 0 HA ASN A 85 85.063 -12.301 2.832 1.00 0.00 H new ATOM 0 HB2 ASN A 85 82.264 -11.128 2.451 1.00 0.00 H new ATOM 0 HB3 ASN A 85 83.162 -12.131 1.329 1.00 0.00 H new ATOM 0 HD21 ASN A 85 81.279 -13.961 4.559 1.00 0.00 H new ATOM 0 HD22 ASN A 85 81.652 -12.235 4.628 1.00 0.00 H new ATOM 1294 N GLU A 86 85.915 -10.041 2.405 1.00 0.00 N ATOM 1295 CA GLU A 86 86.410 -8.674 2.095 1.00 0.00 C ATOM 1296 C GLU A 86 85.506 -8.015 1.059 1.00 0.00 C ATOM 1297 O GLU A 86 85.773 -8.035 -0.126 1.00 0.00 O ATOM 1298 CB GLU A 86 87.813 -8.887 1.543 1.00 0.00 C ATOM 1299 CG GLU A 86 88.340 -7.578 0.959 1.00 0.00 C ATOM 1300 CD GLU A 86 88.791 -6.667 2.098 1.00 0.00 C ATOM 1301 OE1 GLU A 86 89.727 -7.037 2.789 1.00 0.00 O ATOM 1302 OE2 GLU A 86 88.195 -5.615 2.263 1.00 0.00 O ATOM 0 H GLU A 86 86.591 -10.791 2.258 1.00 0.00 H new ATOM 0 HA GLU A 86 86.415 -8.019 2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 86 88.476 -9.237 2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 86 87.798 -9.660 0.774 1.00 0.00 H new ATOM 0 HG2 GLU A 86 89.173 -7.776 0.284 1.00 0.00 H new ATOM 0 HG3 GLU A 86 87.563 -7.089 0.372 1.00 0.00 H new ATOM 1309 N ILE A 87 84.428 -7.439 1.503 1.00 0.00 N ATOM 1310 CA ILE A 87 83.488 -6.780 0.550 1.00 0.00 C ATOM 1311 C ILE A 87 84.262 -5.962 -0.483 1.00 0.00 C ATOM 1312 O ILE A 87 85.078 -5.125 -0.148 1.00 0.00 O ATOM 1313 CB ILE A 87 82.599 -5.868 1.400 1.00 0.00 C ATOM 1314 CG1 ILE A 87 83.421 -5.238 2.529 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.455 -6.688 1.996 1.00 0.00 C ATOM 1316 CD1 ILE A 87 82.773 -3.922 2.959 1.00 0.00 C ATOM 0 H ILE A 87 84.154 -7.394 2.484 1.00 0.00 H new ATOM 0 HA ILE A 87 82.897 -7.512 -0.000 1.00 0.00 H new ATOM 0 HB ILE A 87 82.194 -5.075 0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 87 83.478 -5.921 3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 87 84.443 -5.060 2.194 1.00 0.00 H new ATOM 0 HG21 ILE A 87 80.821 -6.041 2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 87 80.864 -7.126 1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 87 81.864 -7.483 2.620 1.00 0.00 H new ATOM 0 HD11 ILE A 87 83.358 -3.474 3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 87 82.739 -3.239 2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 87 81.760 -4.114 3.312 1.00 0.00 H new ATOM 1328 N LYS A 88 84.006 -6.199 -1.737 1.00 0.00 N ATOM 1329 CA LYS A 88 84.711 -5.442 -2.809 1.00 0.00 C ATOM 1330 C LYS A 88 83.789 -4.361 -3.369 1.00 0.00 C ATOM 1331 O LYS A 88 82.646 -4.612 -3.688 1.00 0.00 O ATOM 1332 CB LYS A 88 85.024 -6.476 -3.889 1.00 0.00 C ATOM 1333 CG LYS A 88 85.544 -7.761 -3.241 1.00 0.00 C ATOM 1334 CD LYS A 88 86.866 -8.166 -3.897 1.00 0.00 C ATOM 1335 CE LYS A 88 87.885 -7.036 -3.737 1.00 0.00 C ATOM 1336 NZ LYS A 88 88.341 -6.731 -5.122 1.00 0.00 N ATOM 0 H LYS A 88 83.333 -6.890 -2.069 1.00 0.00 H new ATOM 0 HA LYS A 88 85.612 -4.949 -2.443 1.00 0.00 H new ATOM 0 HB2 LYS A 88 84.128 -6.689 -4.472 1.00 0.00 H new ATOM 0 HB3 LYS A 88 85.768 -6.080 -4.580 1.00 0.00 H new ATOM 0 HG2 LYS A 88 85.688 -7.609 -2.171 1.00 0.00 H new ATOM 0 HG3 LYS A 88 84.811 -8.560 -3.353 1.00 0.00 H new ATOM 0 HD2 LYS A 88 87.246 -9.079 -3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 88 86.709 -8.381 -4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 88 87.434 -6.161 -3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 88 88.719 -7.342 -3.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 88.909 -5.860 -5.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 88.919 -7.519 -5.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 87.514 -6.601 -5.739 1.00 0.00 H new ATOM 1350 N LEU A 89 84.268 -3.161 -3.493 1.00 0.00 N ATOM 1351 CA LEU A 89 83.405 -2.081 -4.030 1.00 0.00 C ATOM 1352 C LEU A 89 83.848 -1.692 -5.439 1.00 0.00 C ATOM 1353 O LEU A 89 84.861 -2.145 -5.934 1.00 0.00 O ATOM 1354 CB LEU A 89 83.581 -0.903 -3.069 1.00 0.00 C ATOM 1355 CG LEU A 89 85.053 -0.752 -2.679 1.00 0.00 C ATOM 1356 CD1 LEU A 89 85.391 0.732 -2.521 1.00 0.00 C ATOM 1357 CD2 LEU A 89 85.305 -1.474 -1.353 1.00 0.00 C ATOM 0 H LEU A 89 85.217 -2.881 -3.247 1.00 0.00 H new ATOM 0 HA LEU A 89 82.363 -2.394 -4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 89 83.226 0.014 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 89 82.975 -1.059 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 89 85.680 -1.187 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 89 86.440 0.839 -2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 89 85.211 1.249 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 89 84.764 1.167 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 89 86.353 -1.367 -1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.677 -1.038 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.065 -2.531 -1.463 1.00 0.00 H new ATOM 1369 N GLU A 90 83.093 -0.851 -6.088 1.00 0.00 N ATOM 1370 CA GLU A 90 83.460 -0.423 -7.468 1.00 0.00 C ATOM 1371 C GLU A 90 82.621 0.787 -7.885 1.00 0.00 C ATOM 1372 O GLU A 90 81.721 1.202 -7.182 1.00 0.00 O ATOM 1373 CB GLU A 90 83.144 -1.627 -8.355 1.00 0.00 C ATOM 1374 CG GLU A 90 84.409 -2.466 -8.550 1.00 0.00 C ATOM 1375 CD GLU A 90 84.382 -3.114 -9.936 1.00 0.00 C ATOM 1376 OE1 GLU A 90 84.832 -2.478 -10.874 1.00 0.00 O ATOM 1377 OE2 GLU A 90 83.912 -4.236 -10.034 1.00 0.00 O ATOM 0 H GLU A 90 82.234 -0.440 -5.722 1.00 0.00 H new ATOM 0 HA GLU A 90 84.506 -0.126 -7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 90 82.361 -2.232 -7.899 1.00 0.00 H new ATOM 0 HB3 GLU A 90 82.766 -1.291 -9.320 1.00 0.00 H new ATOM 0 HG2 GLU A 90 85.294 -1.838 -8.447 1.00 0.00 H new ATOM 0 HG3 GLU A 90 84.472 -3.234 -7.779 1.00 0.00 H new