USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=11 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 -130:sc= -3.84! USER MOD Set 1.2: A 19 ASN : amide:sc= -7.85! C(o=-12!,f=-16!) USER MOD Single : A 15 THR OG1 : rot 40:sc= 0.0607 USER MOD Single : A 24 ASN : amide:sc= -0.0405 X(o=-0.041,f=-0.26) USER MOD Single : A 26 ASN : amide:sc= -4.78! C(o=-4.8!,f=-4.9!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -163:sc= -1.13! (180deg=-1.41!) 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= -1.16 K(o=-1.2,f=-0.6) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot -83:sc= 0.0784 USER MOD Single : A 67 SER OG : rot -95:sc= -1.93! USER MOD Single : A 73 LYS NZ :NH3+ 149:sc= -0.0127 (180deg=-0.493) USER MOD Single : A 78 THR OG1 : rot 90:sc= -2.69! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -2.59 K(o=-2.6,f=-3.4!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 15 70.093 7.708 -1.724 1.00 0.00 N ATOM 191 CA THR A 15 69.916 8.389 -0.407 1.00 0.00 C ATOM 192 C THR A 15 71.182 9.162 -0.017 1.00 0.00 C ATOM 193 O THR A 15 71.391 9.481 1.136 1.00 0.00 O ATOM 194 CB THR A 15 69.663 7.250 0.581 1.00 0.00 C ATOM 195 OG1 THR A 15 68.396 6.666 0.313 1.00 0.00 O ATOM 196 CG2 THR A 15 69.686 7.788 2.013 1.00 0.00 C ATOM 0 HA THR A 15 69.104 9.116 -0.426 1.00 0.00 H new ATOM 0 HB THR A 15 70.444 6.498 0.470 1.00 0.00 H new ATOM 0 HG1 THR A 15 68.264 6.601 -0.656 1.00 0.00 H new ATOM 0 HG21 THR A 15 69.505 6.971 2.712 1.00 0.00 H new ATOM 0 HG22 THR A 15 70.660 8.233 2.219 1.00 0.00 H new ATOM 0 HG23 THR A 15 68.910 8.544 2.130 1.00 0.00 H new ATOM 204 N THR A 16 72.032 9.467 -0.960 1.00 0.00 N ATOM 205 CA THR A 16 73.277 10.217 -0.616 1.00 0.00 C ATOM 206 C THR A 16 74.069 10.566 -1.878 1.00 0.00 C ATOM 207 O THR A 16 73.781 10.073 -2.951 1.00 0.00 O ATOM 208 CB THR A 16 74.088 9.267 0.270 1.00 0.00 C ATOM 209 OG1 THR A 16 73.433 8.010 0.355 1.00 0.00 O ATOM 210 CG2 THR A 16 74.226 9.868 1.667 1.00 0.00 C ATOM 0 H THR A 16 71.921 9.232 -1.946 1.00 0.00 H new ATOM 0 HA THR A 16 73.052 11.158 -0.115 1.00 0.00 H new ATOM 0 HB THR A 16 75.077 9.126 -0.165 1.00 0.00 H new ATOM 0 HG1 THR A 16 73.359 7.743 1.295 1.00 0.00 H new ATOM 0 HG21 THR A 16 74.803 9.192 2.298 1.00 0.00 H new ATOM 0 HG22 THR A 16 74.737 10.828 1.601 1.00 0.00 H new ATOM 0 HG23 THR A 16 73.236 10.013 2.100 1.00 0.00 H new ATOM 218 N PRO A 17 75.045 11.413 -1.698 1.00 0.00 N ATOM 219 CA PRO A 17 75.900 11.849 -2.826 1.00 0.00 C ATOM 220 C PRO A 17 76.954 10.784 -3.148 1.00 0.00 C ATOM 221 O PRO A 17 77.149 10.419 -4.291 1.00 0.00 O ATOM 222 CB PRO A 17 76.561 13.119 -2.302 1.00 0.00 C ATOM 223 CG PRO A 17 76.556 12.983 -0.810 1.00 0.00 C ATOM 224 CD PRO A 17 75.435 12.045 -0.434 1.00 0.00 C ATOM 0 HA PRO A 17 75.340 12.010 -3.747 1.00 0.00 H new ATOM 0 HB2 PRO A 17 77.577 13.220 -2.684 1.00 0.00 H new ATOM 0 HB3 PRO A 17 76.012 14.006 -2.618 1.00 0.00 H new ATOM 0 HG2 PRO A 17 77.512 12.595 -0.459 1.00 0.00 H new ATOM 0 HG3 PRO A 17 76.414 13.956 -0.339 1.00 0.00 H new ATOM 0 HD2 PRO A 17 75.765 11.305 0.295 1.00 0.00 H new ATOM 0 HD3 PRO A 17 74.600 12.584 0.014 1.00 0.00 H new ATOM 232 N PHE A 18 77.640 10.285 -2.153 1.00 0.00 N ATOM 233 CA PHE A 18 78.679 9.250 -2.411 1.00 0.00 C ATOM 234 C PHE A 18 78.044 7.860 -2.442 1.00 0.00 C ATOM 235 O PHE A 18 77.608 7.342 -1.435 1.00 0.00 O ATOM 236 CB PHE A 18 79.657 9.368 -1.242 1.00 0.00 C ATOM 237 CG PHE A 18 80.311 10.730 -1.270 1.00 0.00 C ATOM 238 CD1 PHE A 18 81.396 10.967 -2.123 1.00 0.00 C ATOM 239 CD2 PHE A 18 79.832 11.754 -0.445 1.00 0.00 C ATOM 240 CE1 PHE A 18 82.002 12.228 -2.150 1.00 0.00 C ATOM 241 CE2 PHE A 18 80.438 13.015 -0.472 1.00 0.00 C ATOM 242 CZ PHE A 18 81.523 13.252 -1.323 1.00 0.00 C ATOM 0 H PHE A 18 77.524 10.550 -1.175 1.00 0.00 H new ATOM 0 HA PHE A 18 79.174 9.393 -3.371 1.00 0.00 H new ATOM 0 HB2 PHE A 18 79.131 9.224 -0.298 1.00 0.00 H new ATOM 0 HB3 PHE A 18 80.415 8.587 -1.307 1.00 0.00 H new ATOM 0 HD1 PHE A 18 81.765 10.177 -2.760 1.00 0.00 H new ATOM 0 HD2 PHE A 18 78.995 11.571 0.212 1.00 0.00 H new ATOM 0 HE1 PHE A 18 82.838 12.412 -2.808 1.00 0.00 H new ATOM 0 HE2 PHE A 18 80.068 13.805 0.164 1.00 0.00 H new ATOM 0 HZ PHE A 18 81.991 14.225 -1.342 1.00 0.00 H new ATOM 252 N ASN A 19 77.985 7.256 -3.593 1.00 0.00 N ATOM 253 CA ASN A 19 77.379 5.905 -3.696 1.00 0.00 C ATOM 254 C ASN A 19 78.202 5.030 -4.639 1.00 0.00 C ATOM 255 O ASN A 19 78.852 5.512 -5.546 1.00 0.00 O ATOM 256 CB ASN A 19 75.982 6.140 -4.267 1.00 0.00 C ATOM 257 CG ASN A 19 75.327 7.317 -3.542 1.00 0.00 C ATOM 258 OD1 ASN A 19 74.622 7.132 -2.570 1.00 0.00 O ATOM 259 ND2 ASN A 19 75.534 8.528 -3.978 1.00 0.00 N ATOM 0 H ASN A 19 78.332 7.643 -4.471 1.00 0.00 H new ATOM 0 HA ASN A 19 77.345 5.393 -2.734 1.00 0.00 H new ATOM 0 HB2 ASN A 19 76.044 6.346 -5.336 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.374 5.243 -4.150 1.00 0.00 H new ATOM 0 HD21 ASN A 19 75.104 9.322 -3.503 1.00 0.00 H new ATOM 0 HD22 ASN A 19 76.126 8.682 -4.794 1.00 0.00 H new ATOM 266 N LEU A 20 78.177 3.748 -4.431 1.00 0.00 N ATOM 267 CA LEU A 20 78.952 2.829 -5.309 1.00 0.00 C ATOM 268 C LEU A 20 78.437 1.396 -5.154 1.00 0.00 C ATOM 269 O LEU A 20 77.493 1.141 -4.431 1.00 0.00 O ATOM 270 CB LEU A 20 80.397 2.938 -4.822 1.00 0.00 C ATOM 271 CG LEU A 20 80.501 2.382 -3.401 1.00 0.00 C ATOM 272 CD1 LEU A 20 80.610 0.858 -3.458 1.00 0.00 C ATOM 273 CD2 LEU A 20 81.745 2.956 -2.722 1.00 0.00 C ATOM 0 H LEU A 20 77.650 3.292 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 20 78.860 3.088 -6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 20 81.059 2.386 -5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 20 80.721 3.979 -4.841 1.00 0.00 H new ATOM 0 HG LEU A 20 79.614 2.662 -2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 20 80.684 0.460 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 20 79.725 0.448 -3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 20 81.498 0.578 -4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 20 81.821 2.561 -1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 20 82.632 2.674 -3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 20 81.670 4.043 -2.683 1.00 0.00 H new ATOM 285 N PHE A 21 79.047 0.461 -5.827 1.00 0.00 N ATOM 286 CA PHE A 21 78.586 -0.952 -5.718 1.00 0.00 C ATOM 287 C PHE A 21 79.693 -1.832 -5.131 1.00 0.00 C ATOM 288 O PHE A 21 80.863 -1.633 -5.389 1.00 0.00 O ATOM 289 CB PHE A 21 78.270 -1.376 -7.154 1.00 0.00 C ATOM 290 CG PHE A 21 77.979 -2.856 -7.193 1.00 0.00 C ATOM 291 CD1 PHE A 21 77.258 -3.456 -6.153 1.00 0.00 C ATOM 292 CD2 PHE A 21 78.430 -3.629 -8.269 1.00 0.00 C ATOM 293 CE1 PHE A 21 76.986 -4.829 -6.191 1.00 0.00 C ATOM 294 CE2 PHE A 21 78.159 -5.002 -8.307 1.00 0.00 C ATOM 295 CZ PHE A 21 77.437 -5.602 -7.267 1.00 0.00 C ATOM 0 H PHE A 21 79.843 0.613 -6.447 1.00 0.00 H new ATOM 0 HA PHE A 21 77.722 -1.053 -5.061 1.00 0.00 H new ATOM 0 HB2 PHE A 21 77.413 -0.817 -7.529 1.00 0.00 H new ATOM 0 HB3 PHE A 21 79.112 -1.143 -7.806 1.00 0.00 H new ATOM 0 HD1 PHE A 21 76.912 -2.860 -5.322 1.00 0.00 H new ATOM 0 HD2 PHE A 21 78.987 -3.166 -9.070 1.00 0.00 H new ATOM 0 HE1 PHE A 21 76.428 -5.291 -5.390 1.00 0.00 H new ATOM 0 HE2 PHE A 21 78.506 -5.598 -9.138 1.00 0.00 H new ATOM 0 HZ PHE A 21 77.228 -6.661 -7.296 1.00 0.00 H new ATOM 305 N ILE A 22 79.328 -2.807 -4.345 1.00 0.00 N ATOM 306 CA ILE A 22 80.348 -3.708 -3.743 1.00 0.00 C ATOM 307 C ILE A 22 79.895 -5.160 -3.909 1.00 0.00 C ATOM 308 O ILE A 22 78.722 -5.439 -4.051 1.00 0.00 O ATOM 309 CB ILE A 22 80.414 -3.289 -2.264 1.00 0.00 C ATOM 310 CG1 ILE A 22 81.559 -2.291 -2.079 1.00 0.00 C ATOM 311 CG2 ILE A 22 80.656 -4.505 -1.360 1.00 0.00 C ATOM 312 CD1 ILE A 22 81.316 -1.461 -0.818 1.00 0.00 C ATOM 0 H ILE A 22 78.362 -3.018 -4.093 1.00 0.00 H new ATOM 0 HA ILE A 22 81.329 -3.634 -4.212 1.00 0.00 H new ATOM 0 HB ILE A 22 79.463 -2.834 -1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 22 82.508 -2.821 -2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 22 81.630 -1.638 -2.949 1.00 0.00 H new ATOM 0 HG21 ILE A 22 80.699 -4.182 -0.320 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.842 -5.219 -1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 22 81.599 -4.979 -1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 22 82.132 -0.750 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 22 80.375 -0.919 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 22 81.267 -2.121 0.048 1.00 0.00 H new ATOM 324 N GLY A 23 80.811 -6.084 -3.908 1.00 0.00 N ATOM 325 CA GLY A 23 80.415 -7.510 -4.080 1.00 0.00 C ATOM 326 C GLY A 23 81.018 -8.363 -2.965 1.00 0.00 C ATOM 327 O GLY A 23 81.637 -7.863 -2.047 1.00 0.00 O ATOM 0 H GLY A 23 81.811 -5.917 -3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 23 79.329 -7.597 -4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.753 -7.874 -5.050 1.00 0.00 H new ATOM 331 N ASN A 24 80.838 -9.656 -3.048 1.00 0.00 N ATOM 332 CA ASN A 24 81.393 -10.579 -2.008 1.00 0.00 C ATOM 333 C ASN A 24 80.566 -10.503 -0.721 1.00 0.00 C ATOM 334 O ASN A 24 80.974 -10.985 0.316 1.00 0.00 O ATOM 335 CB ASN A 24 82.826 -10.104 -1.755 1.00 0.00 C ATOM 336 CG ASN A 24 83.760 -11.314 -1.679 1.00 0.00 C ATOM 337 OD1 ASN A 24 83.733 -12.171 -2.540 1.00 0.00 O ATOM 338 ND2 ASN A 24 84.590 -11.419 -0.677 1.00 0.00 N ATOM 0 H ASN A 24 80.325 -10.118 -3.799 1.00 0.00 H new ATOM 0 HA ASN A 24 81.366 -11.617 -2.339 1.00 0.00 H new ATOM 0 HB2 ASN A 24 83.145 -9.435 -2.554 1.00 0.00 H new ATOM 0 HB3 ASN A 24 82.873 -9.536 -0.826 1.00 0.00 H new ATOM 0 HD21 ASN A 24 85.217 -12.221 -0.616 1.00 0.00 H new ATOM 0 HD22 ASN A 24 84.612 -10.699 0.045 1.00 0.00 H new ATOM 345 N LEU A 25 79.402 -9.913 -0.777 1.00 0.00 N ATOM 346 CA LEU A 25 78.559 -9.829 0.451 1.00 0.00 C ATOM 347 C LEU A 25 78.184 -11.230 0.917 1.00 0.00 C ATOM 348 O LEU A 25 77.609 -12.013 0.188 1.00 0.00 O ATOM 349 CB LEU A 25 77.311 -9.053 0.038 1.00 0.00 C ATOM 350 CG LEU A 25 77.533 -7.558 0.269 1.00 0.00 C ATOM 351 CD1 LEU A 25 77.693 -7.290 1.767 1.00 0.00 C ATOM 352 CD2 LEU A 25 78.799 -7.111 -0.464 1.00 0.00 C ATOM 0 H LEU A 25 79.001 -9.488 -1.613 1.00 0.00 H new ATOM 0 HA LEU A 25 79.080 -9.340 1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 25 77.087 -9.239 -1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 25 76.451 -9.396 0.613 1.00 0.00 H new ATOM 0 HG LEU A 25 76.676 -7.002 -0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 25 77.851 -6.224 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 25 76.792 -7.608 2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 25 78.550 -7.847 2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.958 -6.045 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 25 79.655 -7.668 -0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 25 78.687 -7.301 -1.532 1.00 0.00 H new ATOM 364 N ASN A 26 78.511 -11.540 2.133 1.00 0.00 N ATOM 365 CA ASN A 26 78.191 -12.884 2.689 1.00 0.00 C ATOM 366 C ASN A 26 76.805 -13.340 2.225 1.00 0.00 C ATOM 367 O ASN A 26 75.799 -12.934 2.774 1.00 0.00 O ATOM 368 CB ASN A 26 78.217 -12.676 4.199 1.00 0.00 C ATOM 369 CG ASN A 26 78.859 -13.887 4.877 1.00 0.00 C ATOM 370 OD1 ASN A 26 80.007 -13.840 5.269 1.00 0.00 O ATOM 371 ND2 ASN A 26 78.162 -14.978 5.030 1.00 0.00 N ATOM 0 H ASN A 26 78.993 -10.914 2.778 1.00 0.00 H new ATOM 0 HA ASN A 26 78.890 -13.654 2.363 1.00 0.00 H new ATOM 0 HB2 ASN A 26 78.777 -11.773 4.441 1.00 0.00 H new ATOM 0 HB3 ASN A 26 77.203 -12.533 4.573 1.00 0.00 H new ATOM 0 HD21 ASN A 26 78.581 -15.792 5.479 1.00 0.00 H new ATOM 0 HD22 ASN A 26 77.197 -15.017 4.701 1.00 0.00 H new ATOM 378 N PRO A 27 76.802 -14.172 1.218 1.00 0.00 N ATOM 379 CA PRO A 27 75.532 -14.692 0.661 1.00 0.00 C ATOM 380 C PRO A 27 74.969 -15.807 1.550 1.00 0.00 C ATOM 381 O PRO A 27 73.811 -16.160 1.460 1.00 0.00 O ATOM 382 CB PRO A 27 75.942 -15.248 -0.699 1.00 0.00 C ATOM 383 CG PRO A 27 77.397 -15.578 -0.572 1.00 0.00 C ATOM 384 CD PRO A 27 77.974 -14.695 0.508 1.00 0.00 C ATOM 0 HA PRO A 27 74.753 -13.932 0.595 1.00 0.00 H new ATOM 0 HB2 PRO A 27 75.359 -16.133 -0.953 1.00 0.00 H new ATOM 0 HB3 PRO A 27 75.773 -14.517 -1.490 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.530 -16.630 -0.318 1.00 0.00 H new ATOM 0 HG3 PRO A 27 77.911 -15.411 -1.518 1.00 0.00 H new ATOM 0 HD2 PRO A 27 78.624 -15.259 1.177 1.00 0.00 H new ATOM 0 HD3 PRO A 27 78.574 -13.890 0.084 1.00 0.00 H new ATOM 392 N ASN A 28 75.783 -16.367 2.406 1.00 0.00 N ATOM 393 CA ASN A 28 75.291 -17.460 3.295 1.00 0.00 C ATOM 394 C ASN A 28 74.593 -16.867 4.518 1.00 0.00 C ATOM 395 O ASN A 28 73.841 -17.533 5.204 1.00 0.00 O ATOM 396 CB ASN A 28 76.545 -18.230 3.711 1.00 0.00 C ATOM 397 CG ASN A 28 76.792 -19.373 2.726 1.00 0.00 C ATOM 398 OD1 ASN A 28 76.473 -20.511 3.005 1.00 0.00 O ATOM 399 ND2 ASN A 28 77.351 -19.117 1.575 1.00 0.00 N ATOM 0 H ASN A 28 76.764 -16.116 2.528 1.00 0.00 H new ATOM 0 HA ASN A 28 74.567 -18.105 2.797 1.00 0.00 H new ATOM 0 HB2 ASN A 28 77.405 -17.561 3.731 1.00 0.00 H new ATOM 0 HB3 ASN A 28 76.424 -18.625 4.720 1.00 0.00 H new ATOM 0 HD21 ASN A 28 77.520 -19.872 0.911 1.00 0.00 H new ATOM 0 HD22 ASN A 28 77.619 -18.161 1.340 1.00 0.00 H new ATOM 406 N LYS A 29 74.832 -15.618 4.791 1.00 0.00 N ATOM 407 CA LYS A 29 74.183 -14.967 5.961 1.00 0.00 C ATOM 408 C LYS A 29 73.159 -13.942 5.475 1.00 0.00 C ATOM 409 O LYS A 29 72.667 -14.023 4.366 1.00 0.00 O ATOM 410 CB LYS A 29 75.323 -14.282 6.714 1.00 0.00 C ATOM 411 CG LYS A 29 75.566 -15.008 8.039 1.00 0.00 C ATOM 412 CD LYS A 29 74.304 -14.941 8.901 1.00 0.00 C ATOM 413 CE LYS A 29 74.698 -14.822 10.375 1.00 0.00 C ATOM 414 NZ LYS A 29 73.844 -15.817 11.083 1.00 0.00 N ATOM 0 H LYS A 29 75.453 -15.015 4.251 1.00 0.00 H new ATOM 0 HA LYS A 29 73.651 -15.675 6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.230 -14.292 6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.075 -13.237 6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 29 75.835 -16.047 7.851 1.00 0.00 H new ATOM 0 HG3 LYS A 29 76.404 -14.552 8.567 1.00 0.00 H new ATOM 0 HD2 LYS A 29 73.695 -14.087 8.606 1.00 0.00 H new ATOM 0 HD3 LYS A 29 73.698 -15.833 8.747 1.00 0.00 H new ATOM 0 HE2 LYS A 29 75.757 -15.037 10.519 1.00 0.00 H new ATOM 0 HE3 LYS A 29 74.523 -13.814 10.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 74.056 -15.795 12.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 72.842 -15.583 10.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 74.037 -16.768 10.710 1.00 0.00 H new ATOM 428 N SER A 30 72.834 -12.981 6.288 1.00 0.00 N ATOM 429 CA SER A 30 71.842 -11.957 5.858 1.00 0.00 C ATOM 430 C SER A 30 72.554 -10.695 5.383 1.00 0.00 C ATOM 431 O SER A 30 73.534 -10.264 5.962 1.00 0.00 O ATOM 432 CB SER A 30 71.019 -11.645 7.099 1.00 0.00 C ATOM 433 OG SER A 30 70.939 -12.802 7.921 1.00 0.00 O ATOM 0 H SER A 30 73.209 -12.858 7.228 1.00 0.00 H new ATOM 0 HA SER A 30 71.226 -12.316 5.033 1.00 0.00 H new ATOM 0 HB2 SER A 30 71.474 -10.824 7.653 1.00 0.00 H new ATOM 0 HB3 SER A 30 70.019 -11.320 6.812 1.00 0.00 H new ATOM 0 HG SER A 30 70.410 -12.599 8.721 1.00 0.00 H new ATOM 439 N VAL A 31 72.061 -10.084 4.347 1.00 0.00 N ATOM 440 CA VAL A 31 72.714 -8.841 3.867 1.00 0.00 C ATOM 441 C VAL A 31 72.523 -7.751 4.916 1.00 0.00 C ATOM 442 O VAL A 31 73.387 -6.925 5.134 1.00 0.00 O ATOM 443 CB VAL A 31 72.022 -8.476 2.552 1.00 0.00 C ATOM 444 CG1 VAL A 31 72.926 -7.537 1.751 1.00 0.00 C ATOM 445 CG2 VAL A 31 71.762 -9.744 1.733 1.00 0.00 C ATOM 0 H VAL A 31 71.244 -10.387 3.817 1.00 0.00 H new ATOM 0 HA VAL A 31 73.785 -8.963 3.707 1.00 0.00 H new ATOM 0 HB VAL A 31 71.073 -7.984 2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 31 72.437 -7.274 0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 31 73.114 -6.632 2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 31 73.872 -8.035 1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 31 71.269 -9.478 0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 31 72.709 -10.238 1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 31 71.122 -10.419 2.301 1.00 0.00 H new ATOM 455 N ALA A 32 71.405 -7.760 5.591 1.00 0.00 N ATOM 456 CA ALA A 32 71.178 -6.742 6.651 1.00 0.00 C ATOM 457 C ALA A 32 72.303 -6.856 7.677 1.00 0.00 C ATOM 458 O ALA A 32 72.759 -5.876 8.233 1.00 0.00 O ATOM 459 CB ALA A 32 69.831 -7.105 7.277 1.00 0.00 C ATOM 0 H ALA A 32 70.644 -8.425 5.454 1.00 0.00 H new ATOM 0 HA ALA A 32 71.169 -5.720 6.273 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.595 -6.395 8.070 1.00 0.00 H new ATOM 0 HB2 ALA A 32 69.053 -7.068 6.514 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.883 -8.111 7.694 1.00 0.00 H new ATOM 465 N GLU A 33 72.769 -8.053 7.909 1.00 0.00 N ATOM 466 CA GLU A 33 73.883 -8.251 8.873 1.00 0.00 C ATOM 467 C GLU A 33 75.156 -7.636 8.292 1.00 0.00 C ATOM 468 O GLU A 33 75.891 -6.945 8.969 1.00 0.00 O ATOM 469 CB GLU A 33 74.028 -9.769 9.011 1.00 0.00 C ATOM 470 CG GLU A 33 72.920 -10.310 9.917 1.00 0.00 C ATOM 471 CD GLU A 33 73.030 -9.667 11.301 1.00 0.00 C ATOM 472 OE1 GLU A 33 74.009 -8.979 11.536 1.00 0.00 O ATOM 473 OE2 GLU A 33 72.134 -9.875 12.101 1.00 0.00 O ATOM 0 H GLU A 33 72.422 -8.905 7.469 1.00 0.00 H new ATOM 0 HA GLU A 33 73.700 -7.782 9.839 1.00 0.00 H new ATOM 0 HB2 GLU A 33 73.972 -10.241 8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 33 75.005 -10.015 9.428 1.00 0.00 H new ATOM 0 HG2 GLU A 33 71.944 -10.096 9.482 1.00 0.00 H new ATOM 0 HG3 GLU A 33 73.001 -11.394 10.001 1.00 0.00 H new ATOM 480 N LEU A 34 75.404 -7.863 7.030 1.00 0.00 N ATOM 481 CA LEU A 34 76.602 -7.274 6.392 1.00 0.00 C ATOM 482 C LEU A 34 76.496 -5.757 6.471 1.00 0.00 C ATOM 483 O LEU A 34 77.429 -5.068 6.831 1.00 0.00 O ATOM 484 CB LEU A 34 76.532 -7.740 4.939 1.00 0.00 C ATOM 485 CG LEU A 34 76.294 -9.254 4.875 1.00 0.00 C ATOM 486 CD1 LEU A 34 76.670 -9.769 3.485 1.00 0.00 C ATOM 487 CD2 LEU A 34 77.152 -9.962 5.927 1.00 0.00 C ATOM 0 H LEU A 34 74.822 -8.434 6.417 1.00 0.00 H new ATOM 0 HA LEU A 34 77.538 -7.570 6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 34 75.728 -7.217 4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 34 77.460 -7.489 4.425 1.00 0.00 H new ATOM 0 HG LEU A 34 75.242 -9.460 5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 34 76.502 -10.845 3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 34 76.055 -9.272 2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 34 77.722 -9.558 3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 34 76.978 -11.037 5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 34 78.205 -9.756 5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 34 76.885 -9.598 6.919 1.00 0.00 H new ATOM 499 N LYS A 35 75.348 -5.243 6.144 1.00 0.00 N ATOM 500 CA LYS A 35 75.141 -3.772 6.202 1.00 0.00 C ATOM 501 C LYS A 35 75.522 -3.257 7.592 1.00 0.00 C ATOM 502 O LYS A 35 76.294 -2.329 7.732 1.00 0.00 O ATOM 503 CB LYS A 35 73.648 -3.570 5.938 1.00 0.00 C ATOM 504 CG LYS A 35 73.325 -3.964 4.496 1.00 0.00 C ATOM 505 CD LYS A 35 71.825 -3.790 4.244 1.00 0.00 C ATOM 506 CE LYS A 35 71.511 -4.117 2.784 1.00 0.00 C ATOM 507 NZ LYS A 35 70.130 -3.606 2.564 1.00 0.00 N ATOM 0 H LYS A 35 74.538 -5.781 5.837 1.00 0.00 H new ATOM 0 HA LYS A 35 75.751 -3.231 5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 35 73.061 -4.173 6.631 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.375 -2.529 6.111 1.00 0.00 H new ATOM 0 HG2 LYS A 35 73.895 -3.346 3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 35 73.617 -4.999 4.316 1.00 0.00 H new ATOM 0 HD2 LYS A 35 71.256 -4.444 4.905 1.00 0.00 H new ATOM 0 HD3 LYS A 35 71.524 -2.768 4.472 1.00 0.00 H new ATOM 0 HE2 LYS A 35 72.221 -3.638 2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 35 71.569 -5.189 2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 69.734 -4.034 1.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 69.534 -3.854 3.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 70.156 -2.572 2.456 1.00 0.00 H new ATOM 521 N VAL A 36 74.996 -3.864 8.622 1.00 0.00 N ATOM 522 CA VAL A 36 75.339 -3.423 10.004 1.00 0.00 C ATOM 523 C VAL A 36 76.824 -3.646 10.254 1.00 0.00 C ATOM 524 O VAL A 36 77.481 -2.844 10.879 1.00 0.00 O ATOM 525 CB VAL A 36 74.515 -4.316 10.920 1.00 0.00 C ATOM 526 CG1 VAL A 36 74.554 -3.763 12.345 1.00 0.00 C ATOM 527 CG2 VAL A 36 73.066 -4.365 10.429 1.00 0.00 C ATOM 0 H VAL A 36 74.344 -4.646 8.566 1.00 0.00 H new ATOM 0 HA VAL A 36 75.130 -2.366 10.169 1.00 0.00 H new ATOM 0 HB VAL A 36 74.932 -5.323 10.910 1.00 0.00 H new ATOM 0 HG11 VAL A 36 73.963 -4.403 13.000 1.00 0.00 H new ATOM 0 HG12 VAL A 36 75.585 -3.736 12.697 1.00 0.00 H new ATOM 0 HG13 VAL A 36 74.141 -2.754 12.355 1.00 0.00 H new ATOM 0 HG21 VAL A 36 72.480 -5.006 11.088 1.00 0.00 H new ATOM 0 HG22 VAL A 36 72.646 -3.359 10.433 1.00 0.00 H new ATOM 0 HG23 VAL A 36 73.039 -4.765 9.416 1.00 0.00 H new ATOM 537 N ALA A 37 77.362 -4.727 9.763 1.00 0.00 N ATOM 538 CA ALA A 37 78.811 -4.978 9.970 1.00 0.00 C ATOM 539 C ALA A 37 79.602 -3.886 9.264 1.00 0.00 C ATOM 540 O ALA A 37 80.623 -3.436 9.738 1.00 0.00 O ATOM 541 CB ALA A 37 79.081 -6.344 9.339 1.00 0.00 C ATOM 0 H ALA A 37 76.864 -5.441 9.232 1.00 0.00 H new ATOM 0 HA ALA A 37 79.100 -4.971 11.021 1.00 0.00 H new ATOM 0 HB1 ALA A 37 80.135 -6.596 9.454 1.00 0.00 H new ATOM 0 HB2 ALA A 37 78.471 -7.100 9.833 1.00 0.00 H new ATOM 0 HB3 ALA A 37 78.830 -6.311 8.279 1.00 0.00 H new ATOM 547 N ILE A 38 79.119 -3.439 8.140 1.00 0.00 N ATOM 548 CA ILE A 38 79.822 -2.355 7.406 1.00 0.00 C ATOM 549 C ILE A 38 79.495 -1.013 8.059 1.00 0.00 C ATOM 550 O ILE A 38 80.281 -0.088 8.026 1.00 0.00 O ATOM 551 CB ILE A 38 79.271 -2.415 5.982 1.00 0.00 C ATOM 552 CG1 ILE A 38 79.676 -3.739 5.334 1.00 0.00 C ATOM 553 CG2 ILE A 38 79.840 -1.253 5.165 1.00 0.00 C ATOM 554 CD1 ILE A 38 78.868 -3.948 4.051 1.00 0.00 C ATOM 0 H ILE A 38 78.265 -3.779 7.698 1.00 0.00 H new ATOM 0 HA ILE A 38 80.906 -2.468 7.417 1.00 0.00 H new ATOM 0 HB ILE A 38 78.184 -2.341 6.010 1.00 0.00 H new ATOM 0 HG12 ILE A 38 80.742 -3.734 5.108 1.00 0.00 H new ATOM 0 HG13 ILE A 38 79.500 -4.563 6.025 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.447 -1.296 4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 38 79.552 -0.308 5.626 1.00 0.00 H new ATOM 0 HG23 ILE A 38 80.927 -1.326 5.137 1.00 0.00 H new ATOM 0 HD11 ILE A 38 79.157 -4.892 3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 38 77.805 -3.971 4.290 1.00 0.00 H new ATOM 0 HD13 ILE A 38 79.066 -3.130 3.359 1.00 0.00 H new ATOM 566 N SER A 39 78.348 -0.903 8.672 1.00 0.00 N ATOM 567 CA SER A 39 77.996 0.382 9.338 1.00 0.00 C ATOM 568 C SER A 39 78.737 0.470 10.670 1.00 0.00 C ATOM 569 O SER A 39 79.112 1.533 11.129 1.00 0.00 O ATOM 570 CB SER A 39 76.486 0.317 9.561 1.00 0.00 C ATOM 571 OG SER A 39 76.114 1.281 10.536 1.00 0.00 O ATOM 0 H SER A 39 77.646 -1.640 8.740 1.00 0.00 H new ATOM 0 HA SER A 39 78.271 1.257 8.749 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.960 0.507 8.625 1.00 0.00 H new ATOM 0 HB3 SER A 39 76.198 -0.681 9.891 1.00 0.00 H new ATOM 0 HG SER A 39 75.145 1.243 10.681 1.00 0.00 H new ATOM 577 N GLU A 40 78.961 -0.656 11.285 1.00 0.00 N ATOM 578 CA GLU A 40 79.682 -0.674 12.581 1.00 0.00 C ATOM 579 C GLU A 40 81.182 -0.556 12.338 1.00 0.00 C ATOM 580 O GLU A 40 81.890 0.117 13.059 1.00 0.00 O ATOM 581 CB GLU A 40 79.337 -2.028 13.183 1.00 0.00 C ATOM 582 CG GLU A 40 79.041 -1.868 14.675 1.00 0.00 C ATOM 583 CD GLU A 40 80.297 -2.199 15.482 1.00 0.00 C ATOM 584 OE1 GLU A 40 81.112 -1.310 15.663 1.00 0.00 O ATOM 585 OE2 GLU A 40 80.422 -3.336 15.908 1.00 0.00 O ATOM 0 H GLU A 40 78.672 -1.571 10.940 1.00 0.00 H new ATOM 0 HA GLU A 40 79.403 0.150 13.237 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.472 -2.453 12.674 1.00 0.00 H new ATOM 0 HB3 GLU A 40 80.165 -2.722 13.039 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.719 -0.848 14.885 1.00 0.00 H new ATOM 0 HG3 GLU A 40 78.224 -2.527 14.967 1.00 0.00 H new ATOM 592 N LEU A 41 81.668 -1.198 11.315 1.00 0.00 N ATOM 593 CA LEU A 41 83.121 -1.113 11.013 1.00 0.00 C ATOM 594 C LEU A 41 83.462 0.306 10.570 1.00 0.00 C ATOM 595 O LEU A 41 84.541 0.805 10.821 1.00 0.00 O ATOM 596 CB LEU A 41 83.361 -2.112 9.880 1.00 0.00 C ATOM 597 CG LEU A 41 84.725 -2.778 10.066 1.00 0.00 C ATOM 598 CD1 LEU A 41 84.535 -4.278 10.304 1.00 0.00 C ATOM 599 CD2 LEU A 41 85.568 -2.568 8.808 1.00 0.00 C ATOM 0 H LEU A 41 81.123 -1.777 10.676 1.00 0.00 H new ATOM 0 HA LEU A 41 83.744 -1.343 11.877 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.574 -2.866 9.874 1.00 0.00 H new ATOM 0 HB3 LEU A 41 83.322 -1.602 8.917 1.00 0.00 H new ATOM 0 HG LEU A 41 85.230 -2.335 10.924 1.00 0.00 H new ATOM 0 HD11 LEU A 41 85.508 -4.751 10.436 1.00 0.00 H new ATOM 0 HD12 LEU A 41 83.932 -4.431 11.199 1.00 0.00 H new ATOM 0 HD13 LEU A 41 84.029 -4.721 9.446 1.00 0.00 H new ATOM 0 HD21 LEU A 41 86.541 -3.042 8.939 1.00 0.00 H new ATOM 0 HD22 LEU A 41 85.060 -3.012 7.952 1.00 0.00 H new ATOM 0 HD23 LEU A 41 85.705 -1.500 8.636 1.00 0.00 H new ATOM 611 N PHE A 42 82.540 0.969 9.929 1.00 0.00 N ATOM 612 CA PHE A 42 82.800 2.358 9.494 1.00 0.00 C ATOM 613 C PHE A 42 82.552 3.300 10.670 1.00 0.00 C ATOM 614 O PHE A 42 83.085 4.389 10.734 1.00 0.00 O ATOM 615 CB PHE A 42 81.793 2.607 8.379 1.00 0.00 C ATOM 616 CG PHE A 42 82.273 1.961 7.101 1.00 0.00 C ATOM 617 CD1 PHE A 42 82.547 0.588 7.071 1.00 0.00 C ATOM 618 CD2 PHE A 42 82.438 2.732 5.946 1.00 0.00 C ATOM 619 CE1 PHE A 42 82.986 -0.012 5.885 1.00 0.00 C ATOM 620 CE2 PHE A 42 82.878 2.131 4.760 1.00 0.00 C ATOM 621 CZ PHE A 42 83.152 0.759 4.730 1.00 0.00 C ATOM 0 H PHE A 42 81.618 0.603 9.690 1.00 0.00 H new ATOM 0 HA PHE A 42 83.823 2.521 9.154 1.00 0.00 H new ATOM 0 HB2 PHE A 42 80.820 2.202 8.658 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.661 3.678 8.228 1.00 0.00 H new ATOM 0 HD1 PHE A 42 82.420 -0.008 7.963 1.00 0.00 H new ATOM 0 HD2 PHE A 42 82.226 3.791 5.969 1.00 0.00 H new ATOM 0 HE1 PHE A 42 83.197 -1.071 5.862 1.00 0.00 H new ATOM 0 HE2 PHE A 42 83.006 2.727 3.868 1.00 0.00 H new ATOM 0 HZ PHE A 42 83.491 0.296 3.815 1.00 0.00 H new ATOM 631 N ALA A 43 81.750 2.876 11.611 1.00 0.00 N ATOM 632 CA ALA A 43 81.474 3.738 12.795 1.00 0.00 C ATOM 633 C ALA A 43 82.710 3.779 13.695 1.00 0.00 C ATOM 634 O ALA A 43 82.983 4.763 14.352 1.00 0.00 O ATOM 635 CB ALA A 43 80.304 3.065 13.514 1.00 0.00 C ATOM 0 H ALA A 43 81.276 1.973 11.610 1.00 0.00 H new ATOM 0 HA ALA A 43 81.237 4.766 12.521 1.00 0.00 H new ATOM 0 HB1 ALA A 43 80.041 3.643 14.400 1.00 0.00 H new ATOM 0 HB2 ALA A 43 79.445 3.016 12.845 1.00 0.00 H new ATOM 0 HB3 ALA A 43 80.591 2.056 13.810 1.00 0.00 H new ATOM 641 N LYS A 44 83.463 2.712 13.718 1.00 0.00 N ATOM 642 CA LYS A 44 84.690 2.680 14.563 1.00 0.00 C ATOM 643 C LYS A 44 85.903 3.091 13.726 1.00 0.00 C ATOM 644 O LYS A 44 86.943 3.440 14.248 1.00 0.00 O ATOM 645 CB LYS A 44 84.819 1.226 15.020 1.00 0.00 C ATOM 646 CG LYS A 44 84.324 1.098 16.462 1.00 0.00 C ATOM 647 CD LYS A 44 84.105 -0.379 16.797 1.00 0.00 C ATOM 648 CE LYS A 44 83.092 -0.500 17.937 1.00 0.00 C ATOM 649 NZ LYS A 44 83.083 -1.945 18.292 1.00 0.00 N ATOM 0 H LYS A 44 83.280 1.860 13.187 1.00 0.00 H new ATOM 0 HA LYS A 44 84.634 3.365 15.409 1.00 0.00 H new ATOM 0 HB2 LYS A 44 84.238 0.575 14.366 1.00 0.00 H new ATOM 0 HB3 LYS A 44 85.858 0.903 14.951 1.00 0.00 H new ATOM 0 HG2 LYS A 44 85.051 1.533 17.147 1.00 0.00 H new ATOM 0 HG3 LYS A 44 83.394 1.653 16.589 1.00 0.00 H new ATOM 0 HD2 LYS A 44 83.744 -0.912 15.918 1.00 0.00 H new ATOM 0 HD3 LYS A 44 85.049 -0.841 17.085 1.00 0.00 H new ATOM 0 HE2 LYS A 44 83.382 0.114 18.790 1.00 0.00 H new ATOM 0 HE3 LYS A 44 82.103 -0.164 17.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 82.410 -2.108 19.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 82.797 -2.504 17.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 84.036 -2.235 18.593 1.00 0.00 H new ATOM 663 N ASN A 45 85.773 3.054 12.428 1.00 0.00 N ATOM 664 CA ASN A 45 86.910 3.443 11.550 1.00 0.00 C ATOM 665 C ASN A 45 86.969 4.965 11.415 1.00 0.00 C ATOM 666 O ASN A 45 88.009 5.519 11.124 1.00 0.00 O ATOM 667 CB ASN A 45 86.597 2.795 10.203 1.00 0.00 C ATOM 668 CG ASN A 45 87.321 1.453 10.102 1.00 0.00 C ATOM 669 OD1 ASN A 45 88.076 1.224 9.177 1.00 0.00 O ATOM 670 ND2 ASN A 45 87.122 0.549 11.021 1.00 0.00 N ATOM 0 H ASN A 45 84.925 2.770 11.937 1.00 0.00 H new ATOM 0 HA ASN A 45 87.874 3.122 11.944 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.522 2.649 10.099 1.00 0.00 H new ATOM 0 HB3 ASN A 45 86.910 3.451 9.391 1.00 0.00 H new ATOM 0 HD21 ASN A 45 87.600 -0.350 10.964 1.00 0.00 H new ATOM 0 HD22 ASN A 45 86.489 0.741 11.797 1.00 0.00 H new ATOM 677 N ASP A 46 85.841 5.622 11.610 1.00 0.00 N ATOM 678 CA ASP A 46 85.733 7.119 11.499 1.00 0.00 C ATOM 679 C ASP A 46 85.108 7.458 10.157 1.00 0.00 C ATOM 680 O ASP A 46 85.346 8.501 9.582 1.00 0.00 O ATOM 681 CB ASP A 46 87.140 7.716 11.615 1.00 0.00 C ATOM 682 CG ASP A 46 87.036 9.211 11.924 1.00 0.00 C ATOM 683 OD1 ASP A 46 86.356 9.554 12.876 1.00 0.00 O ATOM 684 OD2 ASP A 46 87.639 9.988 11.201 1.00 0.00 O ATOM 0 H ASP A 46 84.962 5.164 11.850 1.00 0.00 H new ATOM 0 HA ASP A 46 85.109 7.531 12.292 1.00 0.00 H new ATOM 0 HB2 ASP A 46 87.698 7.209 12.402 1.00 0.00 H new ATOM 0 HB3 ASP A 46 87.689 7.563 10.686 1.00 0.00 H new ATOM 689 N LEU A 47 84.298 6.569 9.667 1.00 0.00 N ATOM 690 CA LEU A 47 83.623 6.797 8.371 1.00 0.00 C ATOM 691 C LEU A 47 82.211 7.331 8.630 1.00 0.00 C ATOM 692 O LEU A 47 81.959 7.980 9.625 1.00 0.00 O ATOM 693 CB LEU A 47 83.607 5.412 7.712 1.00 0.00 C ATOM 694 CG LEU A 47 84.903 5.214 6.926 1.00 0.00 C ATOM 695 CD1 LEU A 47 85.420 3.792 7.142 1.00 0.00 C ATOM 696 CD2 LEU A 47 84.633 5.437 5.435 1.00 0.00 C ATOM 0 H LEU A 47 84.073 5.682 10.118 1.00 0.00 H new ATOM 0 HA LEU A 47 84.116 7.531 7.733 1.00 0.00 H new ATOM 0 HB2 LEU A 47 83.506 4.636 8.471 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.747 5.322 7.048 1.00 0.00 H new ATOM 0 HG LEU A 47 85.650 5.928 7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 47 86.344 3.652 6.581 1.00 0.00 H new ATOM 0 HD12 LEU A 47 85.612 3.632 8.203 1.00 0.00 H new ATOM 0 HD13 LEU A 47 84.674 3.077 6.796 1.00 0.00 H new ATOM 0 HD21 LEU A 47 85.556 5.296 4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 47 83.886 4.723 5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 47 84.265 6.451 5.280 1.00 0.00 H new ATOM 708 N ALA A 48 81.292 7.065 7.753 1.00 0.00 N ATOM 709 CA ALA A 48 79.902 7.559 7.956 1.00 0.00 C ATOM 710 C ALA A 48 78.964 6.894 6.952 1.00 0.00 C ATOM 711 O ALA A 48 78.360 7.543 6.121 1.00 0.00 O ATOM 712 CB ALA A 48 79.972 9.066 7.716 1.00 0.00 C ATOM 0 H ALA A 48 81.440 6.525 6.900 1.00 0.00 H new ATOM 0 HA ALA A 48 79.520 7.330 8.951 1.00 0.00 H new ATOM 0 HB1 ALA A 48 78.982 9.502 7.848 1.00 0.00 H new ATOM 0 HB2 ALA A 48 80.664 9.516 8.428 1.00 0.00 H new ATOM 0 HB3 ALA A 48 80.320 9.257 6.701 1.00 0.00 H new ATOM 718 N VAL A 49 78.843 5.601 7.025 1.00 0.00 N ATOM 719 CA VAL A 49 77.959 4.877 6.091 1.00 0.00 C ATOM 720 C VAL A 49 76.556 5.469 6.135 1.00 0.00 C ATOM 721 O VAL A 49 75.887 5.461 7.149 1.00 0.00 O ATOM 722 CB VAL A 49 77.962 3.438 6.594 1.00 0.00 C ATOM 723 CG1 VAL A 49 79.302 2.781 6.259 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.755 3.427 8.111 1.00 0.00 C ATOM 0 H VAL A 49 79.327 5.012 7.703 1.00 0.00 H new ATOM 0 HA VAL A 49 78.293 4.945 5.056 1.00 0.00 H new ATOM 0 HB VAL A 49 77.156 2.885 6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.303 1.752 6.619 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.451 2.788 5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 49 80.109 3.334 6.740 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.757 2.398 8.471 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.561 3.981 8.592 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.800 3.894 8.351 1.00 0.00 H new ATOM 734 N VAL A 50 76.125 5.986 5.033 1.00 0.00 N ATOM 735 CA VAL A 50 74.769 6.602 4.963 1.00 0.00 C ATOM 736 C VAL A 50 73.750 5.569 4.479 1.00 0.00 C ATOM 737 O VAL A 50 72.632 5.517 4.955 1.00 0.00 O ATOM 738 CB VAL A 50 74.900 7.750 3.956 1.00 0.00 C ATOM 739 CG1 VAL A 50 73.811 8.789 4.221 1.00 0.00 C ATOM 740 CG2 VAL A 50 76.272 8.416 4.103 1.00 0.00 C ATOM 0 H VAL A 50 76.655 6.013 4.162 1.00 0.00 H new ATOM 0 HA VAL A 50 74.424 6.958 5.934 1.00 0.00 H new ATOM 0 HB VAL A 50 74.794 7.352 2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 50 73.905 9.605 3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.831 8.324 4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 50 73.920 9.180 5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.360 9.231 3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 50 76.379 8.810 5.114 1.00 0.00 H new ATOM 0 HG23 VAL A 50 77.055 7.681 3.915 1.00 0.00 H new ATOM 750 N ASP A 51 74.121 4.743 3.538 1.00 0.00 N ATOM 751 CA ASP A 51 73.162 3.716 3.036 1.00 0.00 C ATOM 752 C ASP A 51 73.904 2.437 2.635 1.00 0.00 C ATOM 753 O ASP A 51 75.105 2.431 2.454 1.00 0.00 O ATOM 754 CB ASP A 51 72.496 4.354 1.818 1.00 0.00 C ATOM 755 CG ASP A 51 70.978 4.361 2.011 1.00 0.00 C ATOM 756 OD1 ASP A 51 70.520 5.031 2.921 1.00 0.00 O ATOM 757 OD2 ASP A 51 70.301 3.694 1.245 1.00 0.00 O ATOM 0 H ASP A 51 75.041 4.734 3.097 1.00 0.00 H new ATOM 0 HA ASP A 51 72.435 3.431 3.796 1.00 0.00 H new ATOM 0 HB2 ASP A 51 72.861 5.372 1.683 1.00 0.00 H new ATOM 0 HB3 ASP A 51 72.756 3.800 0.916 1.00 0.00 H new ATOM 762 N VAL A 52 73.189 1.354 2.492 1.00 0.00 N ATOM 763 CA VAL A 52 73.835 0.068 2.101 1.00 0.00 C ATOM 764 C VAL A 52 72.769 -0.937 1.657 1.00 0.00 C ATOM 765 O VAL A 52 71.939 -1.361 2.438 1.00 0.00 O ATOM 766 CB VAL A 52 74.548 -0.423 3.361 1.00 0.00 C ATOM 767 CG1 VAL A 52 73.517 -0.734 4.446 1.00 0.00 C ATOM 768 CG2 VAL A 52 75.341 -1.689 3.032 1.00 0.00 C ATOM 0 H VAL A 52 72.180 1.305 2.630 1.00 0.00 H new ATOM 0 HA VAL A 52 74.528 0.189 1.269 1.00 0.00 H new ATOM 0 HB VAL A 52 75.226 0.351 3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 52 74.027 -1.084 5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 52 72.951 0.168 4.679 1.00 0.00 H new ATOM 0 HG13 VAL A 52 72.837 -1.508 4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.851 -2.042 3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 52 74.661 -2.461 2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 52 76.077 -1.467 2.260 1.00 0.00 H new ATOM 778 N ARG A 53 72.778 -1.320 0.408 1.00 0.00 N ATOM 779 CA ARG A 53 71.757 -2.292 -0.080 1.00 0.00 C ATOM 780 C ARG A 53 72.433 -3.560 -0.608 1.00 0.00 C ATOM 781 O ARG A 53 73.624 -3.591 -0.844 1.00 0.00 O ATOM 782 CB ARG A 53 71.026 -1.567 -1.210 1.00 0.00 C ATOM 783 CG ARG A 53 69.659 -1.092 -0.713 1.00 0.00 C ATOM 784 CD ARG A 53 69.727 0.401 -0.381 1.00 0.00 C ATOM 785 NE ARG A 53 68.330 0.778 -0.025 1.00 0.00 N ATOM 786 CZ ARG A 53 67.878 0.554 1.178 1.00 0.00 C ATOM 787 NH1 ARG A 53 68.563 -0.187 2.006 1.00 0.00 N ATOM 788 NH2 ARG A 53 66.740 1.069 1.554 1.00 0.00 N ATOM 0 H ARG A 53 73.447 -1.003 -0.294 1.00 0.00 H new ATOM 0 HA ARG A 53 71.078 -2.604 0.714 1.00 0.00 H new ATOM 0 HB2 ARG A 53 71.616 -0.717 -1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 53 70.903 -2.233 -2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 53 68.901 -1.272 -1.475 1.00 0.00 H new ATOM 0 HG3 ARG A 53 69.364 -1.659 0.170 1.00 0.00 H new ATOM 0 HD2 ARG A 53 70.411 0.591 0.446 1.00 0.00 H new ATOM 0 HD3 ARG A 53 70.088 0.979 -1.232 1.00 0.00 H new ATOM 0 HE ARG A 53 67.726 1.212 -0.723 1.00 0.00 H new ATOM 0 HH11 ARG A 53 69.452 -0.591 1.713 1.00 0.00 H new ATOM 0 HH12 ARG A 53 68.209 -0.362 2.947 1.00 0.00 H new ATOM 0 HH21 ARG A 53 66.203 1.647 0.907 1.00 0.00 H new ATOM 0 HH22 ARG A 53 66.387 0.894 2.495 1.00 0.00 H new ATOM 802 N THR A 54 71.675 -4.607 -0.792 1.00 0.00 N ATOM 803 CA THR A 54 72.256 -5.876 -1.301 1.00 0.00 C ATOM 804 C THR A 54 72.443 -5.795 -2.819 1.00 0.00 C ATOM 805 O THR A 54 71.997 -4.861 -3.457 1.00 0.00 O ATOM 806 CB THR A 54 71.222 -6.949 -0.946 1.00 0.00 C ATOM 807 OG1 THR A 54 70.194 -6.955 -1.927 1.00 0.00 O ATOM 808 CG2 THR A 54 70.613 -6.662 0.431 1.00 0.00 C ATOM 0 H THR A 54 70.672 -4.635 -0.609 1.00 0.00 H new ATOM 0 HA THR A 54 73.234 -6.090 -0.869 1.00 0.00 H new ATOM 0 HB THR A 54 71.713 -7.922 -0.920 1.00 0.00 H new ATOM 0 HG1 THR A 54 69.532 -7.642 -1.703 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.880 -7.431 0.672 1.00 0.00 H new ATOM 0 HG22 THR A 54 71.401 -6.663 1.184 1.00 0.00 H new ATOM 0 HG23 THR A 54 70.125 -5.687 0.417 1.00 0.00 H new ATOM 816 N GLY A 55 73.103 -6.757 -3.403 1.00 0.00 N ATOM 817 CA GLY A 55 73.313 -6.717 -4.879 1.00 0.00 C ATOM 818 C GLY A 55 73.164 -8.119 -5.480 1.00 0.00 C ATOM 819 O GLY A 55 74.083 -8.913 -5.469 1.00 0.00 O ATOM 0 H GLY A 55 73.504 -7.565 -2.926 1.00 0.00 H new ATOM 0 HA2 GLY A 55 72.592 -6.040 -5.337 1.00 0.00 H new ATOM 0 HA3 GLY A 55 74.305 -6.323 -5.101 1.00 0.00 H new ATOM 823 N THR A 56 72.015 -8.417 -6.025 1.00 0.00 N ATOM 824 CA THR A 56 71.793 -9.753 -6.657 1.00 0.00 C ATOM 825 C THR A 56 72.007 -10.897 -5.659 1.00 0.00 C ATOM 826 O THR A 56 73.012 -10.967 -4.981 1.00 0.00 O ATOM 827 CB THR A 56 72.827 -9.830 -7.783 1.00 0.00 C ATOM 828 OG1 THR A 56 72.624 -8.750 -8.684 1.00 0.00 O ATOM 829 CG2 THR A 56 72.674 -11.155 -8.529 1.00 0.00 C ATOM 0 H THR A 56 71.213 -7.788 -6.060 1.00 0.00 H new ATOM 0 HA THR A 56 70.769 -9.857 -7.016 1.00 0.00 H new ATOM 0 HB THR A 56 73.830 -9.768 -7.361 1.00 0.00 H new ATOM 0 HG1 THR A 56 73.286 -8.796 -9.405 1.00 0.00 H new ATOM 0 HG21 THR A 56 73.411 -11.208 -9.330 1.00 0.00 H new ATOM 0 HG22 THR A 56 72.830 -11.982 -7.837 1.00 0.00 H new ATOM 0 HG23 THR A 56 71.672 -11.220 -8.953 1.00 0.00 H new ATOM 837 N ASN A 57 71.064 -11.805 -5.594 1.00 0.00 N ATOM 838 CA ASN A 57 71.177 -12.980 -4.672 1.00 0.00 C ATOM 839 C ASN A 57 71.924 -12.617 -3.386 1.00 0.00 C ATOM 840 O ASN A 57 72.718 -13.388 -2.885 1.00 0.00 O ATOM 841 CB ASN A 57 71.963 -14.023 -5.466 1.00 0.00 C ATOM 842 CG ASN A 57 70.989 -14.974 -6.164 1.00 0.00 C ATOM 843 OD1 ASN A 57 71.116 -16.178 -6.056 1.00 0.00 O ATOM 844 ND2 ASN A 57 70.016 -14.482 -6.879 1.00 0.00 N ATOM 0 H ASN A 57 70.208 -11.782 -6.149 1.00 0.00 H new ATOM 0 HA ASN A 57 70.196 -13.339 -4.360 1.00 0.00 H new ATOM 0 HB2 ASN A 57 72.599 -13.532 -6.203 1.00 0.00 H new ATOM 0 HB3 ASN A 57 72.620 -14.583 -4.800 1.00 0.00 H new ATOM 0 HD21 ASN A 57 69.361 -15.108 -7.348 1.00 0.00 H new ATOM 0 HD22 ASN A 57 69.910 -13.472 -6.969 1.00 0.00 H new ATOM 851 N ARG A 58 71.676 -11.459 -2.842 1.00 0.00 N ATOM 852 CA ARG A 58 72.378 -11.068 -1.587 1.00 0.00 C ATOM 853 C ARG A 58 73.863 -11.432 -1.673 1.00 0.00 C ATOM 854 O ARG A 58 74.522 -11.630 -0.672 1.00 0.00 O ATOM 855 CB ARG A 58 71.692 -11.877 -0.485 1.00 0.00 C ATOM 856 CG ARG A 58 70.213 -11.491 -0.416 1.00 0.00 C ATOM 857 CD ARG A 58 69.366 -12.747 -0.198 1.00 0.00 C ATOM 858 NE ARG A 58 69.271 -12.894 1.280 1.00 0.00 N ATOM 859 CZ ARG A 58 69.817 -13.921 1.870 1.00 0.00 C ATOM 860 NH1 ARG A 58 71.068 -13.873 2.238 1.00 0.00 N ATOM 861 NH2 ARG A 58 69.113 -14.997 2.094 1.00 0.00 N ATOM 0 H ARG A 58 71.021 -10.769 -3.209 1.00 0.00 H new ATOM 0 HA ARG A 58 72.326 -9.995 -1.402 1.00 0.00 H new ATOM 0 HB2 ARG A 58 71.792 -12.944 -0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 58 72.174 -11.687 0.474 1.00 0.00 H new ATOM 0 HG2 ARG A 58 70.049 -10.783 0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 58 69.913 -10.993 -1.338 1.00 0.00 H new ATOM 0 HD2 ARG A 58 68.379 -12.641 -0.649 1.00 0.00 H new ATOM 0 HD3 ARG A 58 69.832 -13.621 -0.653 1.00 0.00 H new ATOM 0 HE ARG A 58 68.779 -12.191 1.832 1.00 0.00 H new ATOM 0 HH11 ARG A 58 71.619 -13.032 2.064 1.00 0.00 H new ATOM 0 HH12 ARG A 58 71.495 -14.676 2.699 1.00 0.00 H new ATOM 0 HH21 ARG A 58 68.135 -15.035 1.808 1.00 0.00 H new ATOM 0 HH22 ARG A 58 69.541 -15.800 2.555 1.00 0.00 H new ATOM 875 N LYS A 59 74.397 -11.515 -2.862 1.00 0.00 N ATOM 876 CA LYS A 59 75.840 -11.860 -3.006 1.00 0.00 C ATOM 877 C LYS A 59 76.681 -10.585 -2.960 1.00 0.00 C ATOM 878 O LYS A 59 77.790 -10.577 -2.465 1.00 0.00 O ATOM 879 CB LYS A 59 75.955 -12.533 -4.374 1.00 0.00 C ATOM 880 CG LYS A 59 76.786 -13.812 -4.246 1.00 0.00 C ATOM 881 CD LYS A 59 78.261 -13.446 -4.064 1.00 0.00 C ATOM 882 CE LYS A 59 79.089 -14.095 -5.176 1.00 0.00 C ATOM 883 NZ LYS A 59 80.475 -13.591 -4.966 1.00 0.00 N ATOM 0 H LYS A 59 73.897 -11.359 -3.738 1.00 0.00 H new ATOM 0 HA LYS A 59 76.196 -12.511 -2.207 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.963 -12.768 -4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 59 76.421 -11.853 -5.087 1.00 0.00 H new ATOM 0 HG2 LYS A 59 76.439 -14.401 -3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 59 76.661 -14.430 -5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 59 78.384 -12.363 -4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 59 78.613 -13.784 -3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 59 79.050 -15.183 -5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 59 78.713 -13.819 -6.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 81.104 -13.992 -5.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 80.482 -12.553 -5.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 80.809 -13.875 -4.023 1.00 0.00 H new ATOM 897 N PHE A 60 76.153 -9.505 -3.464 1.00 0.00 N ATOM 898 CA PHE A 60 76.905 -8.219 -3.442 1.00 0.00 C ATOM 899 C PHE A 60 76.199 -7.241 -2.504 1.00 0.00 C ATOM 900 O PHE A 60 75.414 -7.634 -1.665 1.00 0.00 O ATOM 901 CB PHE A 60 76.876 -7.700 -4.884 1.00 0.00 C ATOM 902 CG PHE A 60 77.062 -8.847 -5.851 1.00 0.00 C ATOM 903 CD1 PHE A 60 78.036 -9.821 -5.603 1.00 0.00 C ATOM 904 CD2 PHE A 60 76.257 -8.934 -6.992 1.00 0.00 C ATOM 905 CE1 PHE A 60 78.206 -10.883 -6.500 1.00 0.00 C ATOM 906 CE2 PHE A 60 76.427 -9.996 -7.888 1.00 0.00 C ATOM 907 CZ PHE A 60 77.401 -10.971 -7.643 1.00 0.00 C ATOM 0 H PHE A 60 75.229 -9.457 -3.892 1.00 0.00 H new ATOM 0 HA PHE A 60 77.929 -8.339 -3.087 1.00 0.00 H new ATOM 0 HB2 PHE A 60 75.928 -7.199 -5.080 1.00 0.00 H new ATOM 0 HB3 PHE A 60 77.663 -6.960 -5.029 1.00 0.00 H new ATOM 0 HD1 PHE A 60 78.656 -9.754 -4.721 1.00 0.00 H new ATOM 0 HD2 PHE A 60 75.505 -8.182 -7.181 1.00 0.00 H new ATOM 0 HE1 PHE A 60 78.958 -11.635 -6.310 1.00 0.00 H new ATOM 0 HE2 PHE A 60 75.806 -10.063 -8.769 1.00 0.00 H new ATOM 0 HZ PHE A 60 77.532 -11.790 -8.334 1.00 0.00 H new ATOM 917 N GLY A 61 76.464 -5.974 -2.636 1.00 0.00 N ATOM 918 CA GLY A 61 75.792 -4.989 -1.745 1.00 0.00 C ATOM 919 C GLY A 61 76.271 -3.575 -2.071 1.00 0.00 C ATOM 920 O GLY A 61 77.452 -3.294 -2.076 1.00 0.00 O ATOM 0 H GLY A 61 77.112 -5.578 -3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.711 -5.053 -1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 61 76.008 -5.223 -0.703 1.00 0.00 H new ATOM 924 N TYR A 62 75.360 -2.679 -2.336 1.00 0.00 N ATOM 925 CA TYR A 62 75.766 -1.278 -2.649 1.00 0.00 C ATOM 926 C TYR A 62 75.823 -0.465 -1.366 1.00 0.00 C ATOM 927 O TYR A 62 75.238 -0.823 -0.364 1.00 0.00 O ATOM 928 CB TYR A 62 74.686 -0.741 -3.589 1.00 0.00 C ATOM 929 CG TYR A 62 74.679 -1.548 -4.865 1.00 0.00 C ATOM 930 CD1 TYR A 62 74.080 -2.813 -4.889 1.00 0.00 C ATOM 931 CD2 TYR A 62 75.270 -1.031 -6.023 1.00 0.00 C ATOM 932 CE1 TYR A 62 74.073 -3.562 -6.072 1.00 0.00 C ATOM 933 CE2 TYR A 62 75.263 -1.780 -7.206 1.00 0.00 C ATOM 934 CZ TYR A 62 74.665 -3.046 -7.231 1.00 0.00 C ATOM 935 OH TYR A 62 74.657 -3.782 -8.397 1.00 0.00 O ATOM 0 H TYR A 62 74.355 -2.855 -2.350 1.00 0.00 H new ATOM 0 HA TYR A 62 76.752 -1.222 -3.109 1.00 0.00 H new ATOM 0 HB2 TYR A 62 73.710 -0.796 -3.107 1.00 0.00 H new ATOM 0 HB3 TYR A 62 74.873 0.309 -3.812 1.00 0.00 H new ATOM 0 HD1 TYR A 62 73.623 -3.211 -3.995 1.00 0.00 H new ATOM 0 HD2 TYR A 62 75.731 -0.055 -6.004 1.00 0.00 H new ATOM 0 HE1 TYR A 62 73.611 -4.538 -6.090 1.00 0.00 H new ATOM 0 HE2 TYR A 62 75.719 -1.381 -8.100 1.00 0.00 H new ATOM 0 HH TYR A 62 75.397 -4.425 -8.383 1.00 0.00 H new ATOM 945 N VAL A 63 76.548 0.615 -1.378 1.00 0.00 N ATOM 946 CA VAL A 63 76.663 1.427 -0.141 1.00 0.00 C ATOM 947 C VAL A 63 76.868 2.907 -0.476 1.00 0.00 C ATOM 948 O VAL A 63 77.576 3.255 -1.399 1.00 0.00 O ATOM 949 CB VAL A 63 77.895 0.866 0.570 1.00 0.00 C ATOM 950 CG1 VAL A 63 77.860 1.274 2.036 1.00 0.00 C ATOM 951 CG2 VAL A 63 77.912 -0.663 0.481 1.00 0.00 C ATOM 0 H VAL A 63 77.062 0.968 -2.185 1.00 0.00 H new ATOM 0 HA VAL A 63 75.763 1.372 0.472 1.00 0.00 H new ATOM 0 HB VAL A 63 78.789 1.263 0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 63 78.737 0.875 2.546 1.00 0.00 H new ATOM 0 HG12 VAL A 63 77.860 2.361 2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 63 76.958 0.878 2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 63 78.795 -1.047 0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 63 77.016 -1.065 0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 63 77.937 -0.966 -0.566 1.00 0.00 H new ATOM 961 N ASP A 64 76.258 3.777 0.282 1.00 0.00 N ATOM 962 CA ASP A 64 76.418 5.236 0.030 1.00 0.00 C ATOM 963 C ASP A 64 77.187 5.873 1.187 1.00 0.00 C ATOM 964 O ASP A 64 77.070 5.459 2.325 1.00 0.00 O ATOM 965 CB ASP A 64 74.996 5.783 -0.036 1.00 0.00 C ATOM 966 CG ASP A 64 74.204 5.017 -1.099 1.00 0.00 C ATOM 967 OD1 ASP A 64 74.791 4.671 -2.111 1.00 0.00 O ATOM 968 OD2 ASP A 64 73.026 4.791 -0.884 1.00 0.00 O ATOM 0 H ASP A 64 75.653 3.538 1.068 1.00 0.00 H new ATOM 0 HA ASP A 64 76.973 5.447 -0.884 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.511 5.684 0.935 1.00 0.00 H new ATOM 0 HB3 ASP A 64 75.015 6.846 -0.276 1.00 0.00 H new ATOM 973 N PHE A 65 77.979 6.871 0.908 1.00 0.00 N ATOM 974 CA PHE A 65 78.764 7.523 1.994 1.00 0.00 C ATOM 975 C PHE A 65 78.275 8.950 2.238 1.00 0.00 C ATOM 976 O PHE A 65 77.376 9.434 1.580 1.00 0.00 O ATOM 977 CB PHE A 65 80.206 7.504 1.495 1.00 0.00 C ATOM 978 CG PHE A 65 80.713 6.086 1.568 1.00 0.00 C ATOM 979 CD1 PHE A 65 80.823 5.452 2.810 1.00 0.00 C ATOM 980 CD2 PHE A 65 81.056 5.399 0.398 1.00 0.00 C ATOM 981 CE1 PHE A 65 81.278 4.132 2.884 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.509 4.077 0.471 1.00 0.00 C ATOM 983 CZ PHE A 65 81.620 3.443 1.715 1.00 0.00 C ATOM 0 H PHE A 65 78.117 7.263 -0.024 1.00 0.00 H new ATOM 0 HA PHE A 65 78.659 7.007 2.949 1.00 0.00 H new ATOM 0 HB2 PHE A 65 80.258 7.874 0.471 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.827 8.161 2.103 1.00 0.00 H new ATOM 0 HD1 PHE A 65 80.556 5.982 3.712 1.00 0.00 H new ATOM 0 HD2 PHE A 65 80.971 5.889 -0.561 1.00 0.00 H new ATOM 0 HE1 PHE A 65 81.366 3.644 3.844 1.00 0.00 H new ATOM 0 HE2 PHE A 65 81.773 3.546 -0.432 1.00 0.00 H new ATOM 0 HZ PHE A 65 81.969 2.423 1.772 1.00 0.00 H new ATOM 993 N GLU A 66 78.844 9.615 3.205 1.00 0.00 N ATOM 994 CA GLU A 66 78.394 11.000 3.526 1.00 0.00 C ATOM 995 C GLU A 66 79.488 12.029 3.225 1.00 0.00 C ATOM 996 O GLU A 66 79.454 13.138 3.720 1.00 0.00 O ATOM 997 CB GLU A 66 78.102 10.968 5.028 1.00 0.00 C ATOM 998 CG GLU A 66 76.594 11.066 5.267 1.00 0.00 C ATOM 999 CD GLU A 66 76.248 12.461 5.789 1.00 0.00 C ATOM 1000 OE1 GLU A 66 76.767 13.421 5.245 1.00 0.00 O ATOM 1001 OE2 GLU A 66 75.469 12.545 6.725 1.00 0.00 O ATOM 0 H GLU A 66 79.602 9.259 3.788 1.00 0.00 H new ATOM 0 HA GLU A 66 77.530 11.291 2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 66 78.489 10.047 5.463 1.00 0.00 H new ATOM 0 HB3 GLU A 66 78.612 11.794 5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.055 10.869 4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 66 76.279 10.309 5.986 1.00 0.00 H new ATOM 1008 N SER A 67 80.455 11.685 2.424 1.00 0.00 N ATOM 1009 CA SER A 67 81.531 12.677 2.116 1.00 0.00 C ATOM 1010 C SER A 67 82.566 12.125 1.144 1.00 0.00 C ATOM 1011 O SER A 67 82.523 10.987 0.716 1.00 0.00 O ATOM 1012 CB SER A 67 82.200 12.972 3.455 1.00 0.00 C ATOM 1013 OG SER A 67 82.548 11.748 4.087 1.00 0.00 O ATOM 0 H SER A 67 80.551 10.775 1.973 1.00 0.00 H new ATOM 0 HA SER A 67 81.107 13.562 1.642 1.00 0.00 H new ATOM 0 HB2 SER A 67 83.091 13.582 3.303 1.00 0.00 H new ATOM 0 HB3 SER A 67 81.527 13.545 4.092 1.00 0.00 H new ATOM 0 HG SER A 67 81.834 11.484 4.705 1.00 0.00 H new ATOM 1019 N ALA A 68 83.534 12.940 0.851 1.00 0.00 N ATOM 1020 CA ALA A 68 84.645 12.527 -0.037 1.00 0.00 C ATOM 1021 C ALA A 68 85.602 11.742 0.816 1.00 0.00 C ATOM 1022 O ALA A 68 86.318 10.864 0.377 1.00 0.00 O ATOM 1023 CB ALA A 68 85.301 13.835 -0.450 1.00 0.00 C ATOM 0 H ALA A 68 83.602 13.897 1.199 1.00 0.00 H new ATOM 0 HA ALA A 68 84.339 11.933 -0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 68 86.141 13.627 -1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.574 14.459 -0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.660 14.358 0.437 1.00 0.00 H new ATOM 1029 N GLU A 69 85.592 12.090 2.058 1.00 0.00 N ATOM 1030 CA GLU A 69 86.460 11.439 3.043 1.00 0.00 C ATOM 1031 C GLU A 69 85.913 10.045 3.353 1.00 0.00 C ATOM 1032 O GLU A 69 86.644 9.143 3.719 1.00 0.00 O ATOM 1033 CB GLU A 69 86.358 12.378 4.232 1.00 0.00 C ATOM 1034 CG GLU A 69 87.651 13.182 4.351 1.00 0.00 C ATOM 1035 CD GLU A 69 87.880 13.971 3.060 1.00 0.00 C ATOM 1036 OE1 GLU A 69 86.902 14.391 2.466 1.00 0.00 O ATOM 1037 OE2 GLU A 69 89.030 14.140 2.688 1.00 0.00 O ATOM 0 H GLU A 69 84.996 12.824 2.440 1.00 0.00 H new ATOM 0 HA GLU A 69 87.491 11.286 2.725 1.00 0.00 H new ATOM 0 HB2 GLU A 69 85.508 13.050 4.108 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.184 11.809 5.146 1.00 0.00 H new ATOM 0 HG2 GLU A 69 87.592 13.863 5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 69 88.492 12.514 4.536 1.00 0.00 H new ATOM 1044 N ASP A 70 84.636 9.851 3.160 1.00 0.00 N ATOM 1045 CA ASP A 70 84.047 8.512 3.391 1.00 0.00 C ATOM 1046 C ASP A 70 84.280 7.694 2.133 1.00 0.00 C ATOM 1047 O ASP A 70 84.487 6.499 2.176 1.00 0.00 O ATOM 1048 CB ASP A 70 82.551 8.751 3.605 1.00 0.00 C ATOM 1049 CG ASP A 70 82.314 9.359 4.987 1.00 0.00 C ATOM 1050 OD1 ASP A 70 83.120 9.111 5.869 1.00 0.00 O ATOM 1051 OD2 ASP A 70 81.329 10.064 5.138 1.00 0.00 O ATOM 0 H ASP A 70 83.979 10.567 2.852 1.00 0.00 H new ATOM 0 HA ASP A 70 84.477 7.986 4.243 1.00 0.00 H new ATOM 0 HB2 ASP A 70 82.166 9.418 2.834 1.00 0.00 H new ATOM 0 HB3 ASP A 70 82.007 7.811 3.513 1.00 0.00 H new ATOM 1056 N LEU A 71 84.261 8.353 1.006 1.00 0.00 N ATOM 1057 CA LEU A 71 84.495 7.641 -0.272 1.00 0.00 C ATOM 1058 C LEU A 71 85.963 7.216 -0.366 1.00 0.00 C ATOM 1059 O LEU A 71 86.284 6.156 -0.864 1.00 0.00 O ATOM 1060 CB LEU A 71 84.154 8.655 -1.364 1.00 0.00 C ATOM 1061 CG LEU A 71 84.685 8.156 -2.709 1.00 0.00 C ATOM 1062 CD1 LEU A 71 84.257 6.703 -2.921 1.00 0.00 C ATOM 1063 CD2 LEU A 71 84.115 9.023 -3.833 1.00 0.00 C ATOM 0 H LEU A 71 84.093 9.355 0.920 1.00 0.00 H new ATOM 0 HA LEU A 71 83.892 6.737 -0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 71 83.075 8.798 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 71 84.592 9.624 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 71 85.773 8.218 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 71 84.636 6.348 -3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 71 84.661 6.084 -2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 71 83.169 6.640 -2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 71 84.492 8.669 -4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 71 83.027 8.960 -3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 71 84.419 10.059 -3.683 1.00 0.00 H new ATOM 1075 N GLU A 72 86.858 8.038 0.119 1.00 0.00 N ATOM 1076 CA GLU A 72 88.305 7.681 0.068 1.00 0.00 C ATOM 1077 C GLU A 72 88.596 6.563 1.072 1.00 0.00 C ATOM 1078 O GLU A 72 89.308 5.615 0.783 1.00 0.00 O ATOM 1079 CB GLU A 72 89.046 8.961 0.456 1.00 0.00 C ATOM 1080 CG GLU A 72 90.531 8.813 0.123 1.00 0.00 C ATOM 1081 CD GLU A 72 91.182 10.196 0.066 1.00 0.00 C ATOM 1082 OE1 GLU A 72 90.608 11.074 -0.556 1.00 0.00 O ATOM 1083 OE2 GLU A 72 92.244 10.353 0.646 1.00 0.00 O ATOM 0 H GLU A 72 86.648 8.940 0.547 1.00 0.00 H new ATOM 0 HA GLU A 72 88.612 7.321 -0.914 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.626 9.813 -0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 72 88.919 9.159 1.520 1.00 0.00 H new ATOM 0 HG2 GLU A 72 91.024 8.198 0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 72 90.651 8.303 -0.833 1.00 0.00 H new ATOM 1090 N LYS A 73 88.017 6.641 2.239 1.00 0.00 N ATOM 1091 CA LYS A 73 88.233 5.565 3.228 1.00 0.00 C ATOM 1092 C LYS A 73 87.423 4.378 2.759 1.00 0.00 C ATOM 1093 O LYS A 73 87.796 3.235 2.925 1.00 0.00 O ATOM 1094 CB LYS A 73 87.699 6.109 4.552 1.00 0.00 C ATOM 1095 CG LYS A 73 88.862 6.333 5.520 1.00 0.00 C ATOM 1096 CD LYS A 73 88.868 7.791 5.984 1.00 0.00 C ATOM 1097 CE LYS A 73 89.320 8.691 4.833 1.00 0.00 C ATOM 1098 NZ LYS A 73 88.993 10.074 5.278 1.00 0.00 N ATOM 0 H LYS A 73 87.408 7.401 2.543 1.00 0.00 H new ATOM 0 HA LYS A 73 89.274 5.263 3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 73 87.167 7.045 4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 73 86.984 5.408 4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 73 88.768 5.668 6.378 1.00 0.00 H new ATOM 0 HG3 LYS A 73 89.806 6.092 5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 73 87.872 8.082 6.317 1.00 0.00 H new ATOM 0 HD3 LYS A 73 89.537 7.910 6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 73 90.387 8.580 4.640 1.00 0.00 H new ATOM 0 HE3 LYS A 73 88.801 8.440 3.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 89.680 10.741 4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 88.036 10.325 4.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 89.035 10.124 6.316 1.00 0.00 H new ATOM 1112 N ALA A 74 86.315 4.660 2.135 1.00 0.00 N ATOM 1113 CA ALA A 74 85.470 3.571 1.615 1.00 0.00 C ATOM 1114 C ALA A 74 86.275 2.760 0.603 1.00 0.00 C ATOM 1115 O ALA A 74 86.086 1.570 0.445 1.00 0.00 O ATOM 1116 CB ALA A 74 84.290 4.260 0.942 1.00 0.00 C ATOM 0 H ALA A 74 85.964 5.603 1.966 1.00 0.00 H new ATOM 0 HA ALA A 74 85.132 2.887 2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 74 83.616 3.508 0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 74 83.755 4.864 1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 74 84.653 4.901 0.139 1.00 0.00 H new ATOM 1122 N LEU A 75 87.196 3.401 -0.068 1.00 0.00 N ATOM 1123 CA LEU A 75 88.042 2.682 -1.050 1.00 0.00 C ATOM 1124 C LEU A 75 89.012 1.800 -0.278 1.00 0.00 C ATOM 1125 O LEU A 75 89.145 0.620 -0.540 1.00 0.00 O ATOM 1126 CB LEU A 75 88.787 3.779 -1.808 1.00 0.00 C ATOM 1127 CG LEU A 75 89.040 3.329 -3.245 1.00 0.00 C ATOM 1128 CD1 LEU A 75 90.006 2.144 -3.247 1.00 0.00 C ATOM 1129 CD2 LEU A 75 87.718 2.911 -3.889 1.00 0.00 C ATOM 0 H LEU A 75 87.395 4.397 0.027 1.00 0.00 H new ATOM 0 HA LEU A 75 87.478 2.048 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 75 88.203 4.699 -1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 75 89.733 3.998 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 75 89.475 4.152 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 75 90.186 1.823 -4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 75 90.949 2.443 -2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 75 89.572 1.320 -2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 75 87.899 2.590 -4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 75 87.281 2.088 -3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 75 87.030 3.756 -3.889 1.00 0.00 H new ATOM 1141 N GLU A 76 89.670 2.361 0.698 1.00 0.00 N ATOM 1142 CA GLU A 76 90.605 1.549 1.513 1.00 0.00 C ATOM 1143 C GLU A 76 89.808 0.716 2.517 1.00 0.00 C ATOM 1144 O GLU A 76 90.359 -0.035 3.297 1.00 0.00 O ATOM 1145 CB GLU A 76 91.477 2.558 2.246 1.00 0.00 C ATOM 1146 CG GLU A 76 92.873 2.588 1.620 1.00 0.00 C ATOM 1147 CD GLU A 76 93.910 2.902 2.701 1.00 0.00 C ATOM 1148 OE1 GLU A 76 94.039 2.108 3.619 1.00 0.00 O ATOM 1149 OE2 GLU A 76 94.556 3.931 2.594 1.00 0.00 O ATOM 0 H GLU A 76 89.599 3.343 0.963 1.00 0.00 H new ATOM 0 HA GLU A 76 91.200 0.865 0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 76 91.024 3.548 2.195 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.547 2.293 3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 76 93.096 1.627 1.155 1.00 0.00 H new ATOM 0 HG3 GLU A 76 92.914 3.340 0.832 1.00 0.00 H new ATOM 1156 N LEU A 77 88.508 0.851 2.505 1.00 0.00 N ATOM 1157 CA LEU A 77 87.662 0.079 3.456 1.00 0.00 C ATOM 1158 C LEU A 77 87.411 -1.331 2.921 1.00 0.00 C ATOM 1159 O LEU A 77 86.518 -2.019 3.368 1.00 0.00 O ATOM 1160 CB LEU A 77 86.353 0.859 3.533 1.00 0.00 C ATOM 1161 CG LEU A 77 86.155 1.391 4.953 1.00 0.00 C ATOM 1162 CD1 LEU A 77 86.241 0.234 5.947 1.00 0.00 C ATOM 1163 CD2 LEU A 77 87.246 2.415 5.273 1.00 0.00 C ATOM 0 H LEU A 77 87.995 1.466 1.873 1.00 0.00 H new ATOM 0 HA LEU A 77 88.134 -0.033 4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 77 86.369 1.686 2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 77 85.518 0.216 3.255 1.00 0.00 H new ATOM 0 HG LEU A 77 85.177 1.866 5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 77 86.100 0.613 6.959 1.00 0.00 H new ATOM 0 HD12 LEU A 77 85.465 -0.498 5.722 1.00 0.00 H new ATOM 0 HD13 LEU A 77 87.220 -0.240 5.870 1.00 0.00 H new ATOM 0 HD21 LEU A 77 87.104 2.794 6.285 1.00 0.00 H new ATOM 0 HD22 LEU A 77 88.224 1.940 5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 77 87.188 3.242 4.565 1.00 0.00 H new ATOM 1175 N THR A 78 88.190 -1.769 1.973 1.00 0.00 N ATOM 1176 CA THR A 78 87.989 -3.138 1.430 1.00 0.00 C ATOM 1177 C THR A 78 88.779 -4.145 2.261 1.00 0.00 C ATOM 1178 O THR A 78 88.848 -5.316 1.945 1.00 0.00 O ATOM 1179 CB THR A 78 88.520 -3.083 -0.001 1.00 0.00 C ATOM 1180 OG1 THR A 78 87.808 -2.094 -0.732 1.00 0.00 O ATOM 1181 CG2 THR A 78 88.336 -4.447 -0.670 1.00 0.00 C ATOM 0 H THR A 78 88.954 -1.240 1.553 1.00 0.00 H new ATOM 0 HA THR A 78 86.944 -3.448 1.458 1.00 0.00 H new ATOM 0 HB THR A 78 89.580 -2.830 0.015 1.00 0.00 H new ATOM 0 HG1 THR A 78 88.266 -1.232 -0.647 1.00 0.00 H new ATOM 0 HG21 THR A 78 88.715 -4.406 -1.691 1.00 0.00 H new ATOM 0 HG22 THR A 78 88.884 -5.204 -0.109 1.00 0.00 H new ATOM 0 HG23 THR A 78 87.277 -4.704 -0.687 1.00 0.00 H new ATOM 1189 N GLY A 79 89.373 -3.689 3.322 1.00 0.00 N ATOM 1190 CA GLY A 79 90.167 -4.606 4.190 1.00 0.00 C ATOM 1191 C GLY A 79 89.264 -5.205 5.275 1.00 0.00 C ATOM 1192 O GLY A 79 89.731 -5.660 6.300 1.00 0.00 O ATOM 0 H GLY A 79 89.345 -2.717 3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 79 90.606 -5.402 3.588 1.00 0.00 H new ATOM 0 HA3 GLY A 79 90.992 -4.063 4.650 1.00 0.00 H new ATOM 1196 N LEU A 80 87.977 -5.203 5.060 1.00 0.00 N ATOM 1197 CA LEU A 80 87.046 -5.763 6.075 1.00 0.00 C ATOM 1198 C LEU A 80 86.276 -6.949 5.501 1.00 0.00 C ATOM 1199 O LEU A 80 85.620 -6.845 4.484 1.00 0.00 O ATOM 1200 CB LEU A 80 86.084 -4.623 6.430 1.00 0.00 C ATOM 1201 CG LEU A 80 85.917 -3.645 5.261 1.00 0.00 C ATOM 1202 CD1 LEU A 80 85.205 -4.344 4.100 1.00 0.00 C ATOM 1203 CD2 LEU A 80 85.081 -2.448 5.715 1.00 0.00 C ATOM 0 H LEU A 80 87.530 -4.835 4.220 1.00 0.00 H new ATOM 0 HA LEU A 80 87.582 -6.126 6.952 1.00 0.00 H new ATOM 0 HB2 LEU A 80 85.113 -5.036 6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 80 86.458 -4.088 7.303 1.00 0.00 H new ATOM 0 HG LEU A 80 86.900 -3.306 4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 80 85.088 -3.646 3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 80 85.796 -5.200 3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 80 84.223 -4.685 4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 80 84.962 -1.752 4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 80 84.101 -2.793 6.044 1.00 0.00 H new ATOM 0 HD23 LEU A 80 85.584 -1.945 6.541 1.00 0.00 H new ATOM 1215 N LYS A 81 86.342 -8.076 6.153 1.00 0.00 N ATOM 1216 CA LYS A 81 85.602 -9.263 5.644 1.00 0.00 C ATOM 1217 C LYS A 81 84.194 -9.262 6.202 1.00 0.00 C ATOM 1218 O LYS A 81 83.893 -9.922 7.175 1.00 0.00 O ATOM 1219 CB LYS A 81 86.330 -10.494 6.147 1.00 0.00 C ATOM 1220 CG LYS A 81 87.828 -10.221 6.242 1.00 0.00 C ATOM 1221 CD LYS A 81 88.592 -11.546 6.280 1.00 0.00 C ATOM 1222 CE LYS A 81 90.063 -11.298 5.938 1.00 0.00 C ATOM 1223 NZ LYS A 81 90.793 -12.465 6.512 1.00 0.00 N ATOM 0 H LYS A 81 86.873 -8.226 7.011 1.00 0.00 H new ATOM 0 HA LYS A 81 85.552 -9.248 4.555 1.00 0.00 H new ATOM 0 HB2 LYS A 81 85.943 -10.780 7.125 1.00 0.00 H new ATOM 0 HB3 LYS A 81 86.148 -11.333 5.475 1.00 0.00 H new ATOM 0 HG2 LYS A 81 88.154 -9.626 5.389 1.00 0.00 H new ATOM 0 HG3 LYS A 81 88.045 -9.639 7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 81 88.509 -11.998 7.269 1.00 0.00 H new ATOM 0 HD3 LYS A 81 88.156 -12.250 5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 81 90.212 -11.230 4.860 1.00 0.00 H new ATOM 0 HE3 LYS A 81 90.416 -10.361 6.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 91.810 -12.368 6.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 90.638 -12.500 7.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 90.440 -13.342 6.079 1.00 0.00 H new ATOM 1237 N VAL A 82 83.341 -8.528 5.586 1.00 0.00 N ATOM 1238 CA VAL A 82 81.929 -8.470 6.058 1.00 0.00 C ATOM 1239 C VAL A 82 81.459 -9.882 6.409 1.00 0.00 C ATOM 1240 O VAL A 82 81.229 -10.705 5.545 1.00 0.00 O ATOM 1241 CB VAL A 82 81.131 -7.907 4.884 1.00 0.00 C ATOM 1242 CG1 VAL A 82 79.637 -7.974 5.203 1.00 0.00 C ATOM 1243 CG2 VAL A 82 81.536 -6.450 4.650 1.00 0.00 C ATOM 0 H VAL A 82 83.549 -7.956 4.768 1.00 0.00 H new ATOM 0 HA VAL A 82 81.807 -7.853 6.948 1.00 0.00 H new ATOM 0 HB VAL A 82 81.337 -8.493 3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 82 79.068 -7.572 4.365 1.00 0.00 H new ATOM 0 HG12 VAL A 82 79.348 -9.011 5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 82 79.429 -7.387 6.098 1.00 0.00 H new ATOM 0 HG21 VAL A 82 80.968 -6.045 3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 82 81.327 -5.866 5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 82 82.601 -6.400 4.424 1.00 0.00 H new ATOM 1253 N PHE A 83 81.331 -10.173 7.672 1.00 0.00 N ATOM 1254 CA PHE A 83 80.895 -11.536 8.085 1.00 0.00 C ATOM 1255 C PHE A 83 81.888 -12.591 7.580 1.00 0.00 C ATOM 1256 O PHE A 83 81.551 -13.750 7.439 1.00 0.00 O ATOM 1257 CB PHE A 83 79.526 -11.731 7.435 1.00 0.00 C ATOM 1258 CG PHE A 83 78.454 -11.645 8.495 1.00 0.00 C ATOM 1259 CD1 PHE A 83 78.642 -10.825 9.614 1.00 0.00 C ATOM 1260 CD2 PHE A 83 77.275 -12.386 8.360 1.00 0.00 C ATOM 1261 CE1 PHE A 83 77.649 -10.747 10.598 1.00 0.00 C ATOM 1262 CE2 PHE A 83 76.283 -12.309 9.345 1.00 0.00 C ATOM 1263 CZ PHE A 83 76.471 -11.489 10.464 1.00 0.00 C ATOM 0 H PHE A 83 81.510 -9.525 8.439 1.00 0.00 H new ATOM 0 HA PHE A 83 80.849 -11.641 9.169 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.361 -10.970 6.672 1.00 0.00 H new ATOM 0 HB3 PHE A 83 79.482 -12.699 6.935 1.00 0.00 H new ATOM 0 HD1 PHE A 83 79.552 -10.253 9.718 1.00 0.00 H new ATOM 0 HD2 PHE A 83 77.130 -13.017 7.496 1.00 0.00 H new ATOM 0 HE1 PHE A 83 77.793 -10.114 11.461 1.00 0.00 H new ATOM 0 HE2 PHE A 83 75.373 -12.882 9.242 1.00 0.00 H new ATOM 0 HZ PHE A 83 75.706 -11.429 11.224 1.00 0.00 H new ATOM 1273 N GLY A 84 83.110 -12.208 7.308 1.00 0.00 N ATOM 1274 CA GLY A 84 84.108 -13.202 6.820 1.00 0.00 C ATOM 1275 C GLY A 84 84.259 -13.080 5.303 1.00 0.00 C ATOM 1276 O GLY A 84 84.809 -13.947 4.654 1.00 0.00 O ATOM 0 H GLY A 84 83.457 -11.253 7.403 1.00 0.00 H new ATOM 0 HA2 GLY A 84 85.070 -13.034 7.305 1.00 0.00 H new ATOM 0 HA3 GLY A 84 83.790 -14.211 7.083 1.00 0.00 H new ATOM 1280 N ASN A 85 83.778 -12.011 4.730 1.00 0.00 N ATOM 1281 CA ASN A 85 83.899 -11.841 3.254 1.00 0.00 C ATOM 1282 C ASN A 85 84.395 -10.431 2.923 1.00 0.00 C ATOM 1283 O ASN A 85 83.652 -9.472 2.976 1.00 0.00 O ATOM 1284 CB ASN A 85 82.486 -12.054 2.711 1.00 0.00 C ATOM 1285 CG ASN A 85 82.226 -13.552 2.539 1.00 0.00 C ATOM 1286 OD1 ASN A 85 82.993 -14.370 3.006 1.00 0.00 O ATOM 1287 ND2 ASN A 85 81.170 -13.946 1.881 1.00 0.00 N ATOM 0 H ASN A 85 83.307 -11.249 5.219 1.00 0.00 H new ATOM 0 HA ASN A 85 84.612 -12.539 2.816 1.00 0.00 H new ATOM 0 HB2 ASN A 85 81.754 -11.623 3.394 1.00 0.00 H new ATOM 0 HB3 ASN A 85 82.371 -11.542 1.756 1.00 0.00 H new ATOM 0 HD21 ASN A 85 80.988 -14.942 1.758 1.00 0.00 H new ATOM 0 HD22 ASN A 85 80.527 -13.258 1.489 1.00 0.00 H new ATOM 1294 N GLU A 86 85.648 -10.299 2.579 1.00 0.00 N ATOM 1295 CA GLU A 86 86.192 -8.952 2.244 1.00 0.00 C ATOM 1296 C GLU A 86 85.391 -8.331 1.099 1.00 0.00 C ATOM 1297 O GLU A 86 85.769 -8.407 -0.054 1.00 0.00 O ATOM 1298 CB GLU A 86 87.637 -9.208 1.822 1.00 0.00 C ATOM 1299 CG GLU A 86 88.172 -8.002 1.046 1.00 0.00 C ATOM 1300 CD GLU A 86 89.644 -7.780 1.399 1.00 0.00 C ATOM 1301 OE1 GLU A 86 89.925 -7.545 2.563 1.00 0.00 O ATOM 1302 OE2 GLU A 86 90.465 -7.848 0.500 1.00 0.00 O ATOM 0 H GLU A 86 86.318 -11.066 2.516 1.00 0.00 H new ATOM 0 HA GLU A 86 86.132 -8.256 3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 86 88.255 -9.390 2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 86 87.692 -10.104 1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 86 88.065 -8.169 -0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 86 87.591 -7.113 1.289 1.00 0.00 H new ATOM 1309 N ILE A 87 84.282 -7.721 1.411 1.00 0.00 N ATOM 1310 CA ILE A 87 83.447 -7.096 0.350 1.00 0.00 C ATOM 1311 C ILE A 87 84.325 -6.372 -0.667 1.00 0.00 C ATOM 1312 O ILE A 87 85.259 -5.675 -0.319 1.00 0.00 O ATOM 1313 CB ILE A 87 82.545 -6.099 1.077 1.00 0.00 C ATOM 1314 CG1 ILE A 87 83.379 -5.266 2.053 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.465 -6.859 1.846 1.00 0.00 C ATOM 1316 CD1 ILE A 87 82.504 -4.171 2.667 1.00 0.00 C ATOM 0 H ILE A 87 83.917 -7.629 2.359 1.00 0.00 H new ATOM 0 HA ILE A 87 82.871 -7.840 -0.200 1.00 0.00 H new ATOM 0 HB ILE A 87 82.076 -5.437 0.349 1.00 0.00 H new ATOM 0 HG12 ILE A 87 83.785 -5.904 2.838 1.00 0.00 H new ATOM 0 HG13 ILE A 87 84.227 -4.820 1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 87 80.821 -6.150 2.365 1.00 0.00 H new ATOM 0 HG22 ILE A 87 80.869 -7.448 1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 87 81.934 -7.522 2.573 1.00 0.00 H new ATOM 0 HD11 ILE A 87 83.098 -3.578 3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 87 82.120 -3.527 1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 87 81.670 -4.628 3.200 1.00 0.00 H new ATOM 1328 N LYS A 88 84.016 -6.522 -1.919 1.00 0.00 N ATOM 1329 CA LYS A 88 84.806 -5.838 -2.975 1.00 0.00 C ATOM 1330 C LYS A 88 84.003 -4.653 -3.499 1.00 0.00 C ATOM 1331 O LYS A 88 82.832 -4.519 -3.210 1.00 0.00 O ATOM 1332 CB LYS A 88 85.003 -6.886 -4.071 1.00 0.00 C ATOM 1333 CG LYS A 88 86.159 -7.813 -3.691 1.00 0.00 C ATOM 1334 CD LYS A 88 87.215 -7.794 -4.798 1.00 0.00 C ATOM 1335 CE LYS A 88 88.610 -7.869 -4.175 1.00 0.00 C ATOM 1336 NZ LYS A 88 88.952 -6.461 -3.827 1.00 0.00 N ATOM 0 H LYS A 88 83.243 -7.094 -2.261 1.00 0.00 H new ATOM 0 HA LYS A 88 85.763 -5.459 -2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 88 84.089 -7.464 -4.204 1.00 0.00 H new ATOM 0 HB3 LYS A 88 85.213 -6.397 -5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 88 86.601 -7.493 -2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 88 85.791 -8.828 -3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 88 87.062 -8.634 -5.475 1.00 0.00 H new ATOM 0 HD3 LYS A 88 87.119 -6.885 -5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 88 88.614 -8.506 -3.291 1.00 0.00 H new ATOM 0 HE3 LYS A 88 89.333 -8.290 -4.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 89.897 -6.430 -3.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 88.947 -5.879 -4.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 88.251 -6.089 -3.155 1.00 0.00 H new ATOM 1350 N LEU A 89 84.610 -3.787 -4.252 1.00 0.00 N ATOM 1351 CA LEU A 89 83.859 -2.617 -4.770 1.00 0.00 C ATOM 1352 C LEU A 89 83.636 -2.744 -6.276 1.00 0.00 C ATOM 1353 O LEU A 89 84.062 -3.693 -6.905 1.00 0.00 O ATOM 1354 CB LEU A 89 84.752 -1.421 -4.463 1.00 0.00 C ATOM 1355 CG LEU A 89 84.575 -1.006 -3.002 1.00 0.00 C ATOM 1356 CD1 LEU A 89 85.756 -1.522 -2.177 1.00 0.00 C ATOM 1357 CD2 LEU A 89 84.518 0.520 -2.910 1.00 0.00 C ATOM 0 H LEU A 89 85.590 -3.837 -4.531 1.00 0.00 H new ATOM 0 HA LEU A 89 82.872 -2.526 -4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.795 -1.675 -4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 89 84.500 -0.589 -5.120 1.00 0.00 H new ATOM 0 HG LEU A 89 83.649 -1.430 -2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 89 85.629 -1.226 -1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 89 85.798 -2.609 -2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 89 86.683 -1.099 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 89 84.392 0.817 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.445 0.943 -3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 89 83.677 0.889 -3.497 1.00 0.00 H new ATOM 1369 N GLU A 90 82.969 -1.788 -6.852 1.00 0.00 N ATOM 1370 CA GLU A 90 82.705 -1.829 -8.319 1.00 0.00 C ATOM 1371 C GLU A 90 81.894 -0.601 -8.738 1.00 0.00 C ATOM 1372 O GLU A 90 80.966 -0.199 -8.063 1.00 0.00 O ATOM 1373 CB GLU A 90 81.896 -3.109 -8.539 1.00 0.00 C ATOM 1374 CG GLU A 90 82.713 -4.091 -9.381 1.00 0.00 C ATOM 1375 CD GLU A 90 81.905 -4.504 -10.612 1.00 0.00 C ATOM 1376 OE1 GLU A 90 81.029 -3.750 -11.002 1.00 0.00 O ATOM 1377 OE2 GLU A 90 82.175 -5.567 -11.145 1.00 0.00 O ATOM 0 H GLU A 90 82.591 -0.973 -6.369 1.00 0.00 H new ATOM 0 HA GLU A 90 83.622 -1.822 -8.908 1.00 0.00 H new ATOM 0 HB2 GLU A 90 81.641 -3.560 -7.580 1.00 0.00 H new ATOM 0 HB3 GLU A 90 80.957 -2.877 -9.041 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.652 -3.630 -9.687 1.00 0.00 H new ATOM 0 HG3 GLU A 90 82.968 -4.970 -8.789 1.00 0.00 H new