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 26 ASN : amide:sc= -9.73! C(o=-17!,f=-31!) USER MOD Set 1.2: A 28 ASN : amide:sc= -7.23! C(o=-17!,f=-32!) USER MOD Set 2.1: A 16 THR OG1 : rot 158:sc= -0.102 USER MOD Set 2.2: A 19 ASN : amide:sc= -8.85! C(o=-9!,f=-16!) USER MOD Single : A 15 THR OG1 : rot 32:sc= 0.35 USER MOD Single : A 24 ASN : amide:sc= -0.0239 X(o=-0.024,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+ 159:sc= -4.03! (180deg=-5!) 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= -0.59! K(o=-0.59!,f=-2.2) 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= -1.04 K(o=-1,f=-4.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -5.22! USER MOD Single : A 67 SER OG : rot -129:sc= -1.48! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 107:sc= 0.559 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN :FLIP amide:sc= -0.316 F(o=-1.1,f=-0.32) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 15 70.693 9.455 -1.760 1.00 0.00 N ATOM 191 CA THR A 15 70.709 10.249 -0.498 1.00 0.00 C ATOM 192 C THR A 15 72.022 11.020 -0.362 1.00 0.00 C ATOM 193 O THR A 15 72.089 12.039 0.295 1.00 0.00 O ATOM 194 CB THR A 15 70.575 9.216 0.623 1.00 0.00 C ATOM 195 OG1 THR A 15 69.454 8.382 0.363 1.00 0.00 O ATOM 196 CG2 THR A 15 70.384 9.931 1.960 1.00 0.00 C ATOM 0 HA THR A 15 69.909 10.989 -0.472 1.00 0.00 H new ATOM 0 HB THR A 15 71.478 8.608 0.667 1.00 0.00 H new ATOM 0 HG1 THR A 15 69.341 8.278 -0.605 1.00 0.00 H new ATOM 0 HG21 THR A 15 70.289 9.193 2.757 1.00 0.00 H new ATOM 0 HG22 THR A 15 71.245 10.569 2.158 1.00 0.00 H new ATOM 0 HG23 THR A 15 69.482 10.541 1.921 1.00 0.00 H new ATOM 204 N THR A 16 73.061 10.541 -0.978 1.00 0.00 N ATOM 205 CA THR A 16 74.373 11.244 -0.883 1.00 0.00 C ATOM 206 C THR A 16 75.085 11.239 -2.237 1.00 0.00 C ATOM 207 O THR A 16 74.729 10.491 -3.126 1.00 0.00 O ATOM 208 CB THR A 16 75.179 10.448 0.144 1.00 0.00 C ATOM 209 OG1 THR A 16 75.391 9.131 -0.344 1.00 0.00 O ATOM 210 CG2 THR A 16 74.410 10.387 1.463 1.00 0.00 C ATOM 0 H THR A 16 73.062 9.693 -1.545 1.00 0.00 H new ATOM 0 HA THR A 16 74.255 12.288 -0.592 1.00 0.00 H new ATOM 0 HB THR A 16 76.140 10.935 0.310 1.00 0.00 H new ATOM 0 HG1 THR A 16 76.164 8.734 0.110 1.00 0.00 H new ATOM 0 HG21 THR A 16 74.986 9.819 2.194 1.00 0.00 H new ATOM 0 HG22 THR A 16 74.247 11.398 1.836 1.00 0.00 H new ATOM 0 HG23 THR A 16 73.448 9.900 1.301 1.00 0.00 H new ATOM 218 N PRO A 17 76.073 12.086 -2.344 1.00 0.00 N ATOM 219 CA PRO A 17 76.853 12.195 -3.597 1.00 0.00 C ATOM 220 C PRO A 17 77.862 11.048 -3.708 1.00 0.00 C ATOM 221 O PRO A 17 78.188 10.599 -4.789 1.00 0.00 O ATOM 222 CB PRO A 17 77.574 13.531 -3.451 1.00 0.00 C ATOM 223 CG PRO A 17 77.672 13.769 -1.975 1.00 0.00 C ATOM 224 CD PRO A 17 76.543 13.017 -1.314 1.00 0.00 C ATOM 0 HA PRO A 17 76.232 12.140 -4.491 1.00 0.00 H new ATOM 0 HB2 PRO A 17 78.562 13.497 -3.910 1.00 0.00 H new ATOM 0 HB3 PRO A 17 77.022 14.332 -3.943 1.00 0.00 H new ATOM 0 HG2 PRO A 17 78.634 13.426 -1.595 1.00 0.00 H new ATOM 0 HG3 PRO A 17 77.603 14.834 -1.754 1.00 0.00 H new ATOM 0 HD2 PRO A 17 76.885 12.487 -0.425 1.00 0.00 H new ATOM 0 HD3 PRO A 17 75.748 13.692 -0.996 1.00 0.00 H new ATOM 232 N PHE A 18 78.367 10.573 -2.599 1.00 0.00 N ATOM 233 CA PHE A 18 79.361 9.462 -2.653 1.00 0.00 C ATOM 234 C PHE A 18 78.661 8.106 -2.527 1.00 0.00 C ATOM 235 O PHE A 18 78.433 7.614 -1.443 1.00 0.00 O ATOM 236 CB PHE A 18 80.284 9.704 -1.460 1.00 0.00 C ATOM 237 CG PHE A 18 80.933 11.059 -1.597 1.00 0.00 C ATOM 238 CD1 PHE A 18 82.006 11.235 -2.479 1.00 0.00 C ATOM 239 CD2 PHE A 18 80.461 12.140 -0.845 1.00 0.00 C ATOM 240 CE1 PHE A 18 82.607 12.493 -2.609 1.00 0.00 C ATOM 241 CE2 PHE A 18 81.061 13.399 -0.974 1.00 0.00 C ATOM 242 CZ PHE A 18 82.134 13.575 -1.856 1.00 0.00 C ATOM 0 H PHE A 18 78.135 10.905 -1.663 1.00 0.00 H new ATOM 0 HA PHE A 18 79.906 9.444 -3.597 1.00 0.00 H new ATOM 0 HB2 PHE A 18 79.717 9.652 -0.531 1.00 0.00 H new ATOM 0 HB3 PHE A 18 81.046 8.926 -1.412 1.00 0.00 H new ATOM 0 HD1 PHE A 18 82.370 10.400 -3.059 1.00 0.00 H new ATOM 0 HD2 PHE A 18 79.633 12.004 -0.165 1.00 0.00 H new ATOM 0 HE1 PHE A 18 83.435 12.629 -3.289 1.00 0.00 H new ATOM 0 HE2 PHE A 18 80.696 14.233 -0.394 1.00 0.00 H new ATOM 0 HZ PHE A 18 82.597 14.546 -1.956 1.00 0.00 H new ATOM 252 N ASN A 19 78.325 7.497 -3.631 1.00 0.00 N ATOM 253 CA ASN A 19 77.649 6.175 -3.583 1.00 0.00 C ATOM 254 C ASN A 19 78.254 5.259 -4.646 1.00 0.00 C ATOM 255 O ASN A 19 78.725 5.712 -5.671 1.00 0.00 O ATOM 256 CB ASN A 19 76.181 6.462 -3.898 1.00 0.00 C ATOM 257 CG ASN A 19 75.723 7.717 -3.149 1.00 0.00 C ATOM 258 OD1 ASN A 19 76.294 8.776 -3.308 1.00 0.00 O ATOM 259 ND2 ASN A 19 74.706 7.640 -2.334 1.00 0.00 N ATOM 0 H ASN A 19 78.492 7.863 -4.568 1.00 0.00 H new ATOM 0 HA ASN A 19 77.762 5.681 -2.618 1.00 0.00 H new ATOM 0 HB2 ASN A 19 76.051 6.601 -4.971 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.565 5.610 -3.609 1.00 0.00 H new ATOM 0 HD21 ASN A 19 74.392 8.470 -1.831 1.00 0.00 H new ATOM 0 HD22 ASN A 19 74.226 6.750 -2.200 1.00 0.00 H new ATOM 266 N LEU A 20 78.253 3.980 -4.415 1.00 0.00 N ATOM 267 CA LEU A 20 78.837 3.051 -5.424 1.00 0.00 C ATOM 268 C LEU A 20 78.293 1.635 -5.234 1.00 0.00 C ATOM 269 O LEU A 20 77.450 1.390 -4.394 1.00 0.00 O ATOM 270 CB LEU A 20 80.345 3.088 -5.167 1.00 0.00 C ATOM 271 CG LEU A 20 80.670 2.301 -3.896 1.00 0.00 C ATOM 272 CD1 LEU A 20 82.187 2.250 -3.704 1.00 0.00 C ATOM 273 CD2 LEU A 20 80.028 2.991 -2.690 1.00 0.00 C ATOM 0 H LEU A 20 77.876 3.536 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 20 78.587 3.344 -6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 20 80.879 2.662 -6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 20 80.681 4.120 -5.064 1.00 0.00 H new ATOM 0 HG LEU A 20 80.279 1.288 -3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 20 82.421 1.690 -2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 20 82.646 1.760 -4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 20 82.577 3.264 -3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 20 80.259 2.430 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 20 80.419 4.004 -2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 20 78.947 3.030 -2.826 1.00 0.00 H new ATOM 285 N PHE A 21 78.772 0.701 -6.009 1.00 0.00 N ATOM 286 CA PHE A 21 78.288 -0.700 -5.879 1.00 0.00 C ATOM 287 C PHE A 21 79.310 -1.527 -5.099 1.00 0.00 C ATOM 288 O PHE A 21 80.477 -1.192 -5.040 1.00 0.00 O ATOM 289 CB PHE A 21 78.158 -1.200 -7.321 1.00 0.00 C ATOM 290 CG PHE A 21 77.207 -2.374 -7.392 1.00 0.00 C ATOM 291 CD1 PHE A 21 76.069 -2.424 -6.573 1.00 0.00 C ATOM 292 CD2 PHE A 21 77.463 -3.417 -8.291 1.00 0.00 C ATOM 293 CE1 PHE A 21 75.195 -3.514 -6.653 1.00 0.00 C ATOM 294 CE2 PHE A 21 76.588 -4.507 -8.369 1.00 0.00 C ATOM 295 CZ PHE A 21 75.454 -4.555 -7.551 1.00 0.00 C ATOM 0 H PHE A 21 79.480 0.849 -6.728 1.00 0.00 H new ATOM 0 HA PHE A 21 77.344 -0.777 -5.340 1.00 0.00 H new ATOM 0 HB2 PHE A 21 77.798 -0.394 -7.960 1.00 0.00 H new ATOM 0 HB3 PHE A 21 79.137 -1.494 -7.700 1.00 0.00 H new ATOM 0 HD1 PHE A 21 75.867 -1.620 -5.880 1.00 0.00 H new ATOM 0 HD2 PHE A 21 78.337 -3.380 -8.925 1.00 0.00 H new ATOM 0 HE1 PHE A 21 74.320 -3.552 -6.021 1.00 0.00 H new ATOM 0 HE2 PHE A 21 76.789 -5.311 -9.061 1.00 0.00 H new ATOM 0 HZ PHE A 21 74.779 -5.396 -7.613 1.00 0.00 H new ATOM 305 N ILE A 22 78.887 -2.599 -4.493 1.00 0.00 N ATOM 306 CA ILE A 22 79.838 -3.435 -3.714 1.00 0.00 C ATOM 307 C ILE A 22 79.416 -4.900 -3.795 1.00 0.00 C ATOM 308 O ILE A 22 78.268 -5.209 -4.026 1.00 0.00 O ATOM 309 CB ILE A 22 79.735 -2.899 -2.278 1.00 0.00 C ATOM 310 CG1 ILE A 22 80.753 -1.773 -2.088 1.00 0.00 C ATOM 311 CG2 ILE A 22 80.023 -4.015 -1.269 1.00 0.00 C ATOM 312 CD1 ILE A 22 80.771 -1.341 -0.621 1.00 0.00 C ATOM 0 H ILE A 22 77.923 -2.932 -4.504 1.00 0.00 H new ATOM 0 HA ILE A 22 80.861 -3.385 -4.086 1.00 0.00 H new ATOM 0 HB ILE A 22 78.725 -2.524 -2.111 1.00 0.00 H new ATOM 0 HG12 ILE A 22 81.744 -2.110 -2.391 1.00 0.00 H new ATOM 0 HG13 ILE A 22 80.497 -0.926 -2.724 1.00 0.00 H new ATOM 0 HG21 ILE A 22 79.946 -3.619 -0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.299 -4.820 -1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 22 81.029 -4.402 -1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 22 81.497 -0.539 -0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 22 79.781 -0.987 -0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 22 81.048 -2.189 0.005 1.00 0.00 H new ATOM 324 N GLY A 23 80.333 -5.804 -3.609 1.00 0.00 N ATOM 325 CA GLY A 23 79.969 -7.245 -3.678 1.00 0.00 C ATOM 326 C GLY A 23 80.768 -8.025 -2.635 1.00 0.00 C ATOM 327 O GLY A 23 81.311 -7.463 -1.705 1.00 0.00 O ATOM 0 H GLY A 23 81.315 -5.610 -3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 23 78.901 -7.370 -3.501 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.174 -7.635 -4.675 1.00 0.00 H new ATOM 331 N ASN A 24 80.839 -9.321 -2.780 1.00 0.00 N ATOM 332 CA ASN A 24 81.597 -10.148 -1.796 1.00 0.00 C ATOM 333 C ASN A 24 80.841 -10.205 -0.467 1.00 0.00 C ATOM 334 O ASN A 24 81.376 -10.611 0.544 1.00 0.00 O ATOM 335 CB ASN A 24 82.945 -9.443 -1.619 1.00 0.00 C ATOM 336 CG ASN A 24 84.064 -10.484 -1.574 1.00 0.00 C ATOM 337 OD1 ASN A 24 84.577 -10.889 -2.598 1.00 0.00 O ATOM 338 ND2 ASN A 24 84.468 -10.939 -0.419 1.00 0.00 N ATOM 0 H ASN A 24 80.404 -9.844 -3.540 1.00 0.00 H new ATOM 0 HA ASN A 24 81.725 -11.175 -2.137 1.00 0.00 H new ATOM 0 HB2 ASN A 24 83.114 -8.747 -2.441 1.00 0.00 H new ATOM 0 HB3 ASN A 24 82.943 -8.856 -0.700 1.00 0.00 H new ATOM 0 HD21 ASN A 24 85.214 -11.634 -0.377 1.00 0.00 H new ATOM 0 HD22 ASN A 24 84.038 -10.600 0.441 1.00 0.00 H new ATOM 345 N LEU A 25 79.597 -9.811 -0.462 1.00 0.00 N ATOM 346 CA LEU A 25 78.811 -9.853 0.803 1.00 0.00 C ATOM 347 C LEU A 25 78.606 -11.304 1.234 1.00 0.00 C ATOM 348 O LEU A 25 78.103 -12.121 0.489 1.00 0.00 O ATOM 349 CB LEU A 25 77.469 -9.197 0.473 1.00 0.00 C ATOM 350 CG LEU A 25 77.635 -7.677 0.389 1.00 0.00 C ATOM 351 CD1 LEU A 25 78.372 -7.168 1.631 1.00 0.00 C ATOM 352 CD2 LEU A 25 78.438 -7.318 -0.862 1.00 0.00 C ATOM 0 H LEU A 25 79.092 -9.463 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 25 79.316 -9.338 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 25 77.090 -9.582 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 25 76.734 -9.449 1.237 1.00 0.00 H new ATOM 0 HG LEU A 25 76.651 -7.211 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.488 -6.086 1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 25 77.798 -7.420 2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 25 79.355 -7.636 1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.556 -6.236 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 25 79.420 -7.787 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 25 77.911 -7.674 -1.747 1.00 0.00 H new ATOM 364 N ASN A 26 78.995 -11.623 2.432 1.00 0.00 N ATOM 365 CA ASN A 26 78.832 -13.017 2.930 1.00 0.00 C ATOM 366 C ASN A 26 77.477 -13.584 2.498 1.00 0.00 C ATOM 367 O ASN A 26 76.460 -13.283 3.091 1.00 0.00 O ATOM 368 CB ASN A 26 78.906 -12.889 4.449 1.00 0.00 C ATOM 369 CG ASN A 26 79.259 -14.244 5.063 1.00 0.00 C ATOM 370 OD1 ASN A 26 79.589 -15.176 4.356 1.00 0.00 O ATOM 371 ND2 ASN A 26 79.204 -14.395 6.358 1.00 0.00 N ATOM 0 H ASN A 26 79.422 -10.975 3.094 1.00 0.00 H new ATOM 0 HA ASN A 26 79.590 -13.694 2.535 1.00 0.00 H new ATOM 0 HB2 ASN A 26 79.655 -12.147 4.725 1.00 0.00 H new ATOM 0 HB3 ASN A 26 77.951 -12.539 4.841 1.00 0.00 H new ATOM 0 HD21 ASN A 26 79.438 -15.295 6.777 1.00 0.00 H new ATOM 0 HD22 ASN A 26 78.927 -13.613 6.951 1.00 0.00 H new ATOM 378 N PRO A 27 77.514 -14.390 1.471 1.00 0.00 N ATOM 379 CA PRO A 27 76.275 -15.013 0.941 1.00 0.00 C ATOM 380 C PRO A 27 75.771 -16.098 1.897 1.00 0.00 C ATOM 381 O PRO A 27 74.584 -16.334 2.011 1.00 0.00 O ATOM 382 CB PRO A 27 76.720 -15.621 -0.386 1.00 0.00 C ATOM 383 CG PRO A 27 78.190 -15.848 -0.233 1.00 0.00 C ATOM 384 CD PRO A 27 78.703 -14.792 0.712 1.00 0.00 C ATOM 0 HA PRO A 27 75.454 -14.305 0.826 1.00 0.00 H new ATOM 0 HB2 PRO A 27 76.195 -16.555 -0.588 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.509 -14.950 -1.218 1.00 0.00 H new ATOM 0 HG2 PRO A 27 78.387 -16.846 0.160 1.00 0.00 H new ATOM 0 HG3 PRO A 27 78.693 -15.780 -1.197 1.00 0.00 H new ATOM 0 HD2 PRO A 27 79.481 -15.185 1.367 1.00 0.00 H new ATOM 0 HD3 PRO A 27 79.136 -13.950 0.173 1.00 0.00 H new ATOM 392 N ASN A 28 76.661 -16.759 2.586 1.00 0.00 N ATOM 393 CA ASN A 28 76.225 -17.824 3.535 1.00 0.00 C ATOM 394 C ASN A 28 75.579 -17.185 4.764 1.00 0.00 C ATOM 395 O ASN A 28 74.911 -17.837 5.541 1.00 0.00 O ATOM 396 CB ASN A 28 77.507 -18.566 3.921 1.00 0.00 C ATOM 397 CG ASN A 28 78.510 -17.577 4.519 1.00 0.00 C ATOM 398 OD1 ASN A 28 78.149 -16.738 5.320 1.00 0.00 O ATOM 399 ND2 ASN A 28 79.763 -17.643 4.161 1.00 0.00 N ATOM 0 H ASN A 28 77.668 -16.609 2.534 1.00 0.00 H new ATOM 0 HA ASN A 28 75.489 -18.498 3.098 1.00 0.00 H new ATOM 0 HB2 ASN A 28 77.282 -19.352 4.642 1.00 0.00 H new ATOM 0 HB3 ASN A 28 77.937 -19.051 3.045 1.00 0.00 H new ATOM 0 HD21 ASN A 28 80.441 -16.990 4.554 1.00 0.00 H new ATOM 0 HD22 ASN A 28 80.065 -18.348 3.488 1.00 0.00 H new ATOM 406 N LYS A 29 75.772 -15.908 4.938 1.00 0.00 N ATOM 407 CA LYS A 29 75.170 -15.209 6.107 1.00 0.00 C ATOM 408 C LYS A 29 73.861 -14.538 5.691 1.00 0.00 C ATOM 409 O LYS A 29 73.205 -14.958 4.759 1.00 0.00 O ATOM 410 CB LYS A 29 76.205 -14.161 6.512 1.00 0.00 C ATOM 411 CG LYS A 29 76.639 -14.405 7.958 1.00 0.00 C ATOM 412 CD LYS A 29 75.448 -14.188 8.892 1.00 0.00 C ATOM 413 CE LYS A 29 75.833 -14.598 10.315 1.00 0.00 C ATOM 414 NZ LYS A 29 74.602 -15.216 10.883 1.00 0.00 N ATOM 0 H LYS A 29 76.324 -15.315 4.318 1.00 0.00 H new ATOM 0 HA LYS A 29 74.937 -15.888 6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 29 77.068 -14.212 5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.784 -13.161 6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 29 77.021 -15.420 8.068 1.00 0.00 H new ATOM 0 HG3 LYS A 29 77.451 -13.729 8.224 1.00 0.00 H new ATOM 0 HD2 LYS A 29 75.144 -13.141 8.874 1.00 0.00 H new ATOM 0 HD3 LYS A 29 74.594 -14.774 8.552 1.00 0.00 H new ATOM 0 HE2 LYS A 29 76.664 -15.304 10.312 1.00 0.00 H new ATOM 0 HE3 LYS A 29 76.149 -13.736 10.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 74.787 -15.523 11.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 73.830 -14.519 10.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 74.329 -16.038 10.307 1.00 0.00 H new ATOM 428 N SER A 30 73.480 -13.498 6.373 1.00 0.00 N ATOM 429 CA SER A 30 72.215 -12.798 6.013 1.00 0.00 C ATOM 430 C SER A 30 72.518 -11.406 5.466 1.00 0.00 C ATOM 431 O SER A 30 73.476 -10.767 5.858 1.00 0.00 O ATOM 432 CB SER A 30 71.434 -12.684 7.316 1.00 0.00 C ATOM 433 OG SER A 30 71.558 -13.894 8.051 1.00 0.00 O ATOM 0 H SER A 30 73.988 -13.101 7.164 1.00 0.00 H new ATOM 0 HA SER A 30 71.659 -13.336 5.245 1.00 0.00 H new ATOM 0 HB2 SER A 30 71.810 -11.848 7.906 1.00 0.00 H new ATOM 0 HB3 SER A 30 70.384 -12.480 7.106 1.00 0.00 H new ATOM 0 HG SER A 30 71.057 -13.820 8.890 1.00 0.00 H new ATOM 439 N VAL A 31 71.706 -10.924 4.571 1.00 0.00 N ATOM 440 CA VAL A 31 71.952 -9.569 4.016 1.00 0.00 C ATOM 441 C VAL A 31 71.705 -8.520 5.101 1.00 0.00 C ATOM 442 O VAL A 31 72.257 -7.439 5.073 1.00 0.00 O ATOM 443 CB VAL A 31 70.959 -9.413 2.865 1.00 0.00 C ATOM 444 CG1 VAL A 31 71.389 -8.244 1.976 1.00 0.00 C ATOM 445 CG2 VAL A 31 70.933 -10.699 2.034 1.00 0.00 C ATOM 0 H VAL A 31 70.887 -11.407 4.202 1.00 0.00 H new ATOM 0 HA VAL A 31 72.977 -9.438 3.670 1.00 0.00 H new ATOM 0 HB VAL A 31 69.965 -9.219 3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 31 70.681 -8.132 1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 31 71.409 -7.327 2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 31 72.383 -8.439 1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 31 70.225 -10.587 1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 31 71.927 -10.892 1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 31 70.628 -11.534 2.665 1.00 0.00 H new ATOM 455 N ALA A 32 70.889 -8.840 6.069 1.00 0.00 N ATOM 456 CA ALA A 32 70.620 -7.870 7.166 1.00 0.00 C ATOM 457 C ALA A 32 71.892 -7.668 7.988 1.00 0.00 C ATOM 458 O ALA A 32 72.211 -6.573 8.406 1.00 0.00 O ATOM 459 CB ALA A 32 69.525 -8.519 8.015 1.00 0.00 C ATOM 0 H ALA A 32 70.398 -9.731 6.146 1.00 0.00 H new ATOM 0 HA ALA A 32 70.312 -6.892 6.797 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.272 -7.862 8.847 1.00 0.00 H new ATOM 0 HB2 ALA A 32 68.640 -8.686 7.401 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.883 -9.473 8.403 1.00 0.00 H new ATOM 465 N GLU A 33 72.629 -8.722 8.210 1.00 0.00 N ATOM 466 CA GLU A 33 73.891 -8.602 8.990 1.00 0.00 C ATOM 467 C GLU A 33 74.953 -7.905 8.140 1.00 0.00 C ATOM 468 O GLU A 33 75.796 -7.190 8.642 1.00 0.00 O ATOM 469 CB GLU A 33 74.304 -10.042 9.301 1.00 0.00 C ATOM 470 CG GLU A 33 73.173 -10.748 10.049 1.00 0.00 C ATOM 471 CD GLU A 33 73.217 -10.361 11.528 1.00 0.00 C ATOM 472 OE1 GLU A 33 73.979 -9.469 11.864 1.00 0.00 O ATOM 473 OE2 GLU A 33 72.491 -10.965 12.301 1.00 0.00 O ATOM 0 H GLU A 33 72.410 -9.663 7.883 1.00 0.00 H new ATOM 0 HA GLU A 33 73.770 -8.015 9.900 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.530 -10.574 8.377 1.00 0.00 H new ATOM 0 HB3 GLU A 33 75.212 -10.049 9.904 1.00 0.00 H new ATOM 0 HG2 GLU A 33 72.210 -10.471 9.619 1.00 0.00 H new ATOM 0 HG3 GLU A 33 73.271 -11.828 9.942 1.00 0.00 H new ATOM 480 N LEU A 34 74.906 -8.098 6.849 1.00 0.00 N ATOM 481 CA LEU A 34 75.896 -7.440 5.963 1.00 0.00 C ATOM 482 C LEU A 34 75.682 -5.929 6.006 1.00 0.00 C ATOM 483 O LEU A 34 76.609 -5.153 5.886 1.00 0.00 O ATOM 484 CB LEU A 34 75.590 -7.993 4.572 1.00 0.00 C ATOM 485 CG LEU A 34 76.238 -9.370 4.415 1.00 0.00 C ATOM 486 CD1 LEU A 34 75.642 -10.078 3.197 1.00 0.00 C ATOM 487 CD2 LEU A 34 77.746 -9.207 4.223 1.00 0.00 C ATOM 0 H LEU A 34 74.221 -8.685 6.373 1.00 0.00 H new ATOM 0 HA LEU A 34 76.929 -7.629 6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 34 74.512 -8.068 4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 34 75.967 -7.313 3.808 1.00 0.00 H new ATOM 0 HG LEU A 34 76.049 -9.964 5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 34 76.103 -11.059 3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 34 74.567 -10.196 3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 34 75.830 -9.484 2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 34 78.207 -10.188 4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 34 77.937 -8.613 3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 34 78.171 -8.703 5.091 1.00 0.00 H new ATOM 499 N LYS A 35 74.460 -5.510 6.188 1.00 0.00 N ATOM 500 CA LYS A 35 74.173 -4.051 6.253 1.00 0.00 C ATOM 501 C LYS A 35 74.699 -3.484 7.573 1.00 0.00 C ATOM 502 O LYS A 35 75.502 -2.572 7.595 1.00 0.00 O ATOM 503 CB LYS A 35 72.650 -3.939 6.184 1.00 0.00 C ATOM 504 CG LYS A 35 72.240 -3.390 4.817 1.00 0.00 C ATOM 505 CD LYS A 35 70.915 -4.022 4.387 1.00 0.00 C ATOM 506 CE LYS A 35 71.190 -5.214 3.468 1.00 0.00 C ATOM 507 NZ LYS A 35 69.969 -6.061 3.560 1.00 0.00 N ATOM 0 H LYS A 35 73.647 -6.117 6.295 1.00 0.00 H new ATOM 0 HA LYS A 35 74.651 -3.493 5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 35 72.195 -4.916 6.347 1.00 0.00 H new ATOM 0 HB3 LYS A 35 72.287 -3.283 6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 35 72.139 -2.306 4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 35 73.014 -3.606 4.080 1.00 0.00 H new ATOM 0 HD2 LYS A 35 70.354 -4.347 5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 35 70.300 -3.285 3.870 1.00 0.00 H new ATOM 0 HE2 LYS A 35 71.369 -4.889 2.443 1.00 0.00 H new ATOM 0 HE3 LYS A 35 72.076 -5.763 3.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 69.914 -6.682 2.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 70.013 -6.641 4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 69.126 -5.453 3.594 1.00 0.00 H new ATOM 521 N VAL A 36 74.263 -4.030 8.676 1.00 0.00 N ATOM 522 CA VAL A 36 74.753 -3.535 9.997 1.00 0.00 C ATOM 523 C VAL A 36 76.259 -3.730 10.079 1.00 0.00 C ATOM 524 O VAL A 36 76.962 -2.942 10.668 1.00 0.00 O ATOM 525 CB VAL A 36 74.057 -4.403 11.036 1.00 0.00 C ATOM 526 CG1 VAL A 36 74.205 -3.763 12.418 1.00 0.00 C ATOM 527 CG2 VAL A 36 72.572 -4.534 10.691 1.00 0.00 C ATOM 0 H VAL A 36 73.590 -4.796 8.721 1.00 0.00 H new ATOM 0 HA VAL A 36 74.542 -2.476 10.149 1.00 0.00 H new ATOM 0 HB VAL A 36 74.514 -5.393 11.041 1.00 0.00 H new ATOM 0 HG11 VAL A 36 73.707 -4.384 13.162 1.00 0.00 H new ATOM 0 HG12 VAL A 36 75.263 -3.676 12.667 1.00 0.00 H new ATOM 0 HG13 VAL A 36 73.751 -2.772 12.410 1.00 0.00 H new ATOM 0 HG21 VAL A 36 72.079 -5.156 11.438 1.00 0.00 H new ATOM 0 HG22 VAL A 36 72.112 -3.546 10.681 1.00 0.00 H new ATOM 0 HG23 VAL A 36 72.466 -4.994 9.708 1.00 0.00 H new ATOM 537 N ALA A 37 76.765 -4.771 9.480 1.00 0.00 N ATOM 538 CA ALA A 37 78.231 -4.990 9.519 1.00 0.00 C ATOM 539 C ALA A 37 78.910 -3.825 8.812 1.00 0.00 C ATOM 540 O ALA A 37 79.938 -3.341 9.233 1.00 0.00 O ATOM 541 CB ALA A 37 78.468 -6.300 8.768 1.00 0.00 C ATOM 0 H ALA A 37 76.229 -5.473 8.970 1.00 0.00 H new ATOM 0 HA ALA A 37 78.631 -5.048 10.531 1.00 0.00 H new ATOM 0 HB1 ALA A 37 79.534 -6.525 8.757 1.00 0.00 H new ATOM 0 HB2 ALA A 37 77.932 -7.107 9.267 1.00 0.00 H new ATOM 0 HB3 ALA A 37 78.107 -6.203 7.744 1.00 0.00 H new ATOM 547 N ILE A 38 78.323 -3.358 7.747 1.00 0.00 N ATOM 548 CA ILE A 38 78.915 -2.206 7.016 1.00 0.00 C ATOM 549 C ILE A 38 78.653 -0.916 7.794 1.00 0.00 C ATOM 550 O ILE A 38 79.427 0.019 7.740 1.00 0.00 O ATOM 551 CB ILE A 38 78.199 -2.178 5.666 1.00 0.00 C ATOM 552 CG1 ILE A 38 78.584 -3.420 4.859 1.00 0.00 C ATOM 553 CG2 ILE A 38 78.611 -0.922 4.895 1.00 0.00 C ATOM 554 CD1 ILE A 38 77.545 -3.659 3.762 1.00 0.00 C ATOM 0 H ILE A 38 77.458 -3.725 7.351 1.00 0.00 H new ATOM 0 HA ILE A 38 79.994 -2.297 6.894 1.00 0.00 H new ATOM 0 HB ILE A 38 77.121 -2.168 5.827 1.00 0.00 H new ATOM 0 HG12 ILE A 38 79.571 -3.287 4.417 1.00 0.00 H new ATOM 0 HG13 ILE A 38 78.642 -4.289 5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 38 78.100 -0.902 3.932 1.00 0.00 H new ATOM 0 HG22 ILE A 38 78.338 -0.037 5.469 1.00 0.00 H new ATOM 0 HG23 ILE A 38 79.689 -0.931 4.734 1.00 0.00 H new ATOM 0 HD11 ILE A 38 77.819 -4.544 3.187 1.00 0.00 H new ATOM 0 HD12 ILE A 38 76.565 -3.810 4.215 1.00 0.00 H new ATOM 0 HD13 ILE A 38 77.509 -2.794 3.100 1.00 0.00 H new ATOM 566 N SER A 39 77.578 -0.858 8.535 1.00 0.00 N ATOM 567 CA SER A 39 77.304 0.377 9.322 1.00 0.00 C ATOM 568 C SER A 39 78.198 0.381 10.559 1.00 0.00 C ATOM 569 O SER A 39 78.632 1.412 11.038 1.00 0.00 O ATOM 570 CB SER A 39 75.831 0.285 9.716 1.00 0.00 C ATOM 571 OG SER A 39 75.095 1.284 9.023 1.00 0.00 O ATOM 0 H SER A 39 76.887 -1.602 8.628 1.00 0.00 H new ATOM 0 HA SER A 39 77.505 1.292 8.765 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.440 -0.703 9.476 1.00 0.00 H new ATOM 0 HB3 SER A 39 75.722 0.418 10.792 1.00 0.00 H new ATOM 0 HG SER A 39 74.149 1.226 9.273 1.00 0.00 H new ATOM 577 N GLU A 40 78.487 -0.782 11.062 1.00 0.00 N ATOM 578 CA GLU A 40 79.359 -0.892 12.255 1.00 0.00 C ATOM 579 C GLU A 40 80.820 -0.804 11.829 1.00 0.00 C ATOM 580 O GLU A 40 81.624 -0.140 12.452 1.00 0.00 O ATOM 581 CB GLU A 40 79.039 -2.266 12.823 1.00 0.00 C ATOM 582 CG GLU A 40 78.862 -2.168 14.338 1.00 0.00 C ATOM 583 CD GLU A 40 80.234 -2.120 15.012 1.00 0.00 C ATOM 584 OE1 GLU A 40 81.163 -2.691 14.464 1.00 0.00 O ATOM 585 OE2 GLU A 40 80.334 -1.512 16.065 1.00 0.00 O ATOM 0 H GLU A 40 78.151 -1.671 10.692 1.00 0.00 H new ATOM 0 HA GLU A 40 79.195 -0.100 12.985 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.130 -2.657 12.365 1.00 0.00 H new ATOM 0 HB3 GLU A 40 79.841 -2.964 12.585 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.290 -1.275 14.591 1.00 0.00 H new ATOM 0 HG3 GLU A 40 78.295 -3.024 14.704 1.00 0.00 H new ATOM 592 N LEU A 41 81.162 -1.460 10.757 1.00 0.00 N ATOM 593 CA LEU A 41 82.567 -1.403 10.274 1.00 0.00 C ATOM 594 C LEU A 41 82.929 0.045 9.975 1.00 0.00 C ATOM 595 O LEU A 41 84.030 0.488 10.230 1.00 0.00 O ATOM 596 CB LEU A 41 82.600 -2.236 8.992 1.00 0.00 C ATOM 597 CG LEU A 41 84.032 -2.690 8.710 1.00 0.00 C ATOM 598 CD1 LEU A 41 84.093 -4.218 8.697 1.00 0.00 C ATOM 599 CD2 LEU A 41 84.475 -2.152 7.348 1.00 0.00 C ATOM 0 H LEU A 41 80.531 -2.032 10.196 1.00 0.00 H new ATOM 0 HA LEU A 41 83.276 -1.784 11.009 1.00 0.00 H new ATOM 0 HB2 LEU A 41 81.947 -3.103 9.093 1.00 0.00 H new ATOM 0 HB3 LEU A 41 82.223 -1.648 8.155 1.00 0.00 H new ATOM 0 HG LEU A 41 84.693 -2.308 9.488 1.00 0.00 H new ATOM 0 HD11 LEU A 41 85.115 -4.540 8.496 1.00 0.00 H new ATOM 0 HD12 LEU A 41 83.776 -4.603 9.666 1.00 0.00 H new ATOM 0 HD13 LEU A 41 83.432 -4.602 7.920 1.00 0.00 H new ATOM 0 HD21 LEU A 41 85.496 -2.474 7.144 1.00 0.00 H new ATOM 0 HD22 LEU A 41 83.812 -2.535 6.572 1.00 0.00 H new ATOM 0 HD23 LEU A 41 84.433 -1.063 7.356 1.00 0.00 H new ATOM 611 N PHE A 42 81.999 0.788 9.447 1.00 0.00 N ATOM 612 CA PHE A 42 82.272 2.207 9.143 1.00 0.00 C ATOM 613 C PHE A 42 82.098 3.027 10.418 1.00 0.00 C ATOM 614 O PHE A 42 82.648 4.100 10.564 1.00 0.00 O ATOM 615 CB PHE A 42 81.219 2.577 8.109 1.00 0.00 C ATOM 616 CG PHE A 42 81.583 1.965 6.776 1.00 0.00 C ATOM 617 CD1 PHE A 42 81.676 0.574 6.644 1.00 0.00 C ATOM 618 CD2 PHE A 42 81.823 2.790 5.670 1.00 0.00 C ATOM 619 CE1 PHE A 42 82.008 0.009 5.408 1.00 0.00 C ATOM 620 CE2 PHE A 42 82.154 2.222 4.435 1.00 0.00 C ATOM 621 CZ PHE A 42 82.245 0.833 4.303 1.00 0.00 C ATOM 0 H PHE A 42 81.059 0.467 9.214 1.00 0.00 H new ATOM 0 HA PHE A 42 83.281 2.391 8.774 1.00 0.00 H new ATOM 0 HB2 PHE A 42 80.240 2.221 8.429 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.150 3.661 8.017 1.00 0.00 H new ATOM 0 HD1 PHE A 42 81.491 -0.063 7.497 1.00 0.00 H new ATOM 0 HD2 PHE A 42 81.753 3.863 5.770 1.00 0.00 H new ATOM 0 HE1 PHE A 42 82.081 -1.064 5.307 1.00 0.00 H new ATOM 0 HE2 PHE A 42 82.340 2.858 3.582 1.00 0.00 H new ATOM 0 HZ PHE A 42 82.498 0.397 3.348 1.00 0.00 H new ATOM 631 N ALA A 43 81.345 2.511 11.353 1.00 0.00 N ATOM 632 CA ALA A 43 81.146 3.244 12.634 1.00 0.00 C ATOM 633 C ALA A 43 82.366 3.024 13.528 1.00 0.00 C ATOM 634 O ALA A 43 82.600 3.748 14.475 1.00 0.00 O ATOM 635 CB ALA A 43 79.898 2.623 13.261 1.00 0.00 C ATOM 0 H ALA A 43 80.861 1.616 11.284 1.00 0.00 H new ATOM 0 HA ALA A 43 81.027 4.319 12.495 1.00 0.00 H new ATOM 0 HB1 ALA A 43 79.686 3.113 14.212 1.00 0.00 H new ATOM 0 HB2 ALA A 43 79.050 2.753 12.589 1.00 0.00 H new ATOM 0 HB3 ALA A 43 80.067 1.559 13.430 1.00 0.00 H new ATOM 641 N LYS A 44 83.148 2.026 13.219 1.00 0.00 N ATOM 642 CA LYS A 44 84.364 1.742 14.028 1.00 0.00 C ATOM 643 C LYS A 44 85.616 2.095 13.221 1.00 0.00 C ATOM 644 O LYS A 44 86.695 2.242 13.760 1.00 0.00 O ATOM 645 CB LYS A 44 84.309 0.241 14.308 1.00 0.00 C ATOM 646 CG LYS A 44 83.122 -0.065 15.225 1.00 0.00 C ATOM 647 CD LYS A 44 83.624 -0.312 16.649 1.00 0.00 C ATOM 648 CE LYS A 44 82.782 0.500 17.636 1.00 0.00 C ATOM 649 NZ LYS A 44 83.536 0.445 18.920 1.00 0.00 N ATOM 0 H LYS A 44 82.994 1.392 12.435 1.00 0.00 H new ATOM 0 HA LYS A 44 84.401 2.324 14.949 1.00 0.00 H new ATOM 0 HB2 LYS A 44 84.211 -0.311 13.373 1.00 0.00 H new ATOM 0 HB3 LYS A 44 85.237 -0.087 14.776 1.00 0.00 H new ATOM 0 HG2 LYS A 44 82.418 0.767 15.216 1.00 0.00 H new ATOM 0 HG3 LYS A 44 82.585 -0.941 14.861 1.00 0.00 H new ATOM 0 HD2 LYS A 44 83.562 -1.373 16.889 1.00 0.00 H new ATOM 0 HD3 LYS A 44 84.673 -0.028 16.730 1.00 0.00 H new ATOM 0 HE2 LYS A 44 82.656 1.528 17.296 1.00 0.00 H new ATOM 0 HE3 LYS A 44 81.784 0.076 17.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 83.021 0.980 19.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 83.634 -0.545 19.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 84.480 0.862 18.787 1.00 0.00 H new ATOM 663 N ASN A 45 85.477 2.235 11.929 1.00 0.00 N ATOM 664 CA ASN A 45 86.653 2.581 11.085 1.00 0.00 C ATOM 665 C ASN A 45 86.869 4.096 11.083 1.00 0.00 C ATOM 666 O ASN A 45 87.984 4.559 10.965 1.00 0.00 O ATOM 667 CB ASN A 45 86.284 2.094 9.686 1.00 0.00 C ATOM 668 CG ASN A 45 86.833 0.683 9.473 1.00 0.00 C ATOM 669 OD1 ASN A 45 87.731 0.481 8.680 1.00 0.00 O ATOM 670 ND2 ASN A 45 86.328 -0.310 10.152 1.00 0.00 N ATOM 0 H ASN A 45 84.598 2.124 11.423 1.00 0.00 H new ATOM 0 HA ASN A 45 87.575 2.127 11.448 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.201 2.096 9.563 1.00 0.00 H new ATOM 0 HB3 ASN A 45 86.691 2.771 8.935 1.00 0.00 H new ATOM 0 HD21 ASN A 45 86.687 -1.255 10.017 1.00 0.00 H new ATOM 0 HD22 ASN A 45 85.574 -0.141 10.818 1.00 0.00 H new ATOM 677 N ASP A 46 85.786 4.847 11.202 1.00 0.00 N ATOM 678 CA ASP A 46 85.815 6.356 11.209 1.00 0.00 C ATOM 679 C ASP A 46 85.135 6.864 9.948 1.00 0.00 C ATOM 680 O ASP A 46 85.432 7.926 9.441 1.00 0.00 O ATOM 681 CB ASP A 46 87.274 6.819 11.252 1.00 0.00 C ATOM 682 CG ASP A 46 87.325 8.335 11.453 1.00 0.00 C ATOM 683 OD1 ASP A 46 86.443 8.856 12.116 1.00 0.00 O ATOM 684 OD2 ASP A 46 88.245 8.950 10.939 1.00 0.00 O ATOM 0 H ASP A 46 84.848 4.458 11.298 1.00 0.00 H new ATOM 0 HA ASP A 46 85.290 6.748 12.080 1.00 0.00 H new ATOM 0 HB2 ASP A 46 87.802 6.316 12.062 1.00 0.00 H new ATOM 0 HB3 ASP A 46 87.780 6.547 10.325 1.00 0.00 H new ATOM 689 N LEU A 47 84.213 6.099 9.450 1.00 0.00 N ATOM 690 CA LEU A 47 83.481 6.498 8.225 1.00 0.00 C ATOM 691 C LEU A 47 82.070 6.949 8.606 1.00 0.00 C ATOM 692 O LEU A 47 81.823 7.372 9.718 1.00 0.00 O ATOM 693 CB LEU A 47 83.450 5.228 7.371 1.00 0.00 C ATOM 694 CG LEU A 47 84.554 5.297 6.314 1.00 0.00 C ATOM 695 CD1 LEU A 47 85.755 4.470 6.776 1.00 0.00 C ATOM 696 CD2 LEU A 47 84.029 4.734 4.992 1.00 0.00 C ATOM 0 H LEU A 47 83.932 5.202 9.845 1.00 0.00 H new ATOM 0 HA LEU A 47 83.944 7.328 7.691 1.00 0.00 H new ATOM 0 HB2 LEU A 47 83.590 4.350 8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.477 5.124 6.890 1.00 0.00 H new ATOM 0 HG LEU A 47 84.858 6.334 6.174 1.00 0.00 H new ATOM 0 HD11 LEU A 47 86.542 4.519 6.023 1.00 0.00 H new ATOM 0 HD12 LEU A 47 86.130 4.868 7.719 1.00 0.00 H new ATOM 0 HD13 LEU A 47 85.450 3.433 6.916 1.00 0.00 H new ATOM 0 HD21 LEU A 47 84.815 4.783 4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 47 83.725 3.697 5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 47 83.172 5.321 4.661 1.00 0.00 H new ATOM 708 N ALA A 48 81.144 6.861 7.700 1.00 0.00 N ATOM 709 CA ALA A 48 79.751 7.284 8.017 1.00 0.00 C ATOM 710 C ALA A 48 78.797 6.840 6.908 1.00 0.00 C ATOM 711 O ALA A 48 78.185 7.648 6.238 1.00 0.00 O ATOM 712 CB ALA A 48 79.807 8.809 8.101 1.00 0.00 C ATOM 0 H ALA A 48 81.288 6.515 6.752 1.00 0.00 H new ATOM 0 HA ALA A 48 79.386 6.840 8.943 1.00 0.00 H new ATOM 0 HB1 ALA A 48 78.815 9.197 8.332 1.00 0.00 H new ATOM 0 HB2 ALA A 48 80.504 9.105 8.885 1.00 0.00 H new ATOM 0 HB3 ALA A 48 80.142 9.214 7.146 1.00 0.00 H new ATOM 718 N VAL A 49 78.663 5.559 6.718 1.00 0.00 N ATOM 719 CA VAL A 49 77.755 5.050 5.672 1.00 0.00 C ATOM 720 C VAL A 49 76.393 5.722 5.798 1.00 0.00 C ATOM 721 O VAL A 49 75.700 5.587 6.788 1.00 0.00 O ATOM 722 CB VAL A 49 77.653 3.554 5.943 1.00 0.00 C ATOM 723 CG1 VAL A 49 78.936 2.862 5.484 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.454 3.314 7.443 1.00 0.00 C ATOM 0 H VAL A 49 79.152 4.840 7.252 1.00 0.00 H new ATOM 0 HA VAL A 49 78.114 5.254 4.663 1.00 0.00 H new ATOM 0 HB VAL A 49 76.803 3.147 5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 49 78.862 1.792 5.678 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.077 3.028 4.416 1.00 0.00 H new ATOM 0 HG13 VAL A 49 79.786 3.272 6.030 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.381 2.243 7.634 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.301 3.724 7.993 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.537 3.804 7.771 1.00 0.00 H new ATOM 734 N VAL A 50 76.019 6.454 4.799 1.00 0.00 N ATOM 735 CA VAL A 50 74.709 7.165 4.827 1.00 0.00 C ATOM 736 C VAL A 50 73.572 6.215 4.444 1.00 0.00 C ATOM 737 O VAL A 50 72.493 6.275 4.999 1.00 0.00 O ATOM 738 CB VAL A 50 74.856 8.285 3.799 1.00 0.00 C ATOM 739 CG1 VAL A 50 73.703 9.277 3.946 1.00 0.00 C ATOM 740 CG2 VAL A 50 76.175 9.013 4.042 1.00 0.00 C ATOM 0 H VAL A 50 76.567 6.596 3.950 1.00 0.00 H new ATOM 0 HA VAL A 50 74.465 7.548 5.818 1.00 0.00 H new ATOM 0 HB VAL A 50 74.841 7.860 2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 50 73.813 10.074 3.210 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.756 8.761 3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 50 73.716 9.704 4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.288 9.815 3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 50 76.178 9.434 5.047 1.00 0.00 H new ATOM 0 HG23 VAL A 50 77.002 8.311 3.941 1.00 0.00 H new ATOM 750 N ASP A 51 73.799 5.337 3.504 1.00 0.00 N ATOM 751 CA ASP A 51 72.713 4.391 3.105 1.00 0.00 C ATOM 752 C ASP A 51 73.307 3.102 2.532 1.00 0.00 C ATOM 753 O ASP A 51 74.394 3.093 1.991 1.00 0.00 O ATOM 754 CB ASP A 51 71.906 5.134 2.040 1.00 0.00 C ATOM 755 CG ASP A 51 70.961 4.156 1.341 1.00 0.00 C ATOM 756 OD1 ASP A 51 70.562 3.192 1.974 1.00 0.00 O ATOM 757 OD2 ASP A 51 70.652 4.385 0.182 1.00 0.00 O ATOM 0 H ASP A 51 74.679 5.233 2.999 1.00 0.00 H new ATOM 0 HA ASP A 51 72.094 4.099 3.953 1.00 0.00 H new ATOM 0 HB2 ASP A 51 71.336 5.942 2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 51 72.577 5.590 1.313 1.00 0.00 H new ATOM 762 N VAL A 52 72.599 2.011 2.645 1.00 0.00 N ATOM 763 CA VAL A 52 73.121 0.723 2.106 1.00 0.00 C ATOM 764 C VAL A 52 72.022 -0.013 1.333 1.00 0.00 C ATOM 765 O VAL A 52 70.849 0.261 1.491 1.00 0.00 O ATOM 766 CB VAL A 52 73.542 -0.081 3.336 1.00 0.00 C ATOM 767 CG1 VAL A 52 74.346 -1.306 2.895 1.00 0.00 C ATOM 768 CG2 VAL A 52 74.409 0.794 4.244 1.00 0.00 C ATOM 0 H VAL A 52 71.682 1.956 3.087 1.00 0.00 H new ATOM 0 HA VAL A 52 73.950 0.872 1.414 1.00 0.00 H new ATOM 0 HB VAL A 52 72.654 -0.404 3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 52 74.646 -1.879 3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 52 73.731 -1.930 2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 52 75.234 -0.982 2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 52 74.710 0.222 5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 52 75.296 1.116 3.699 1.00 0.00 H new ATOM 0 HG23 VAL A 52 73.839 1.668 4.559 1.00 0.00 H new ATOM 778 N ARG A 53 72.394 -0.944 0.498 1.00 0.00 N ATOM 779 CA ARG A 53 71.373 -1.698 -0.284 1.00 0.00 C ATOM 780 C ARG A 53 71.931 -3.063 -0.695 1.00 0.00 C ATOM 781 O ARG A 53 73.127 -3.248 -0.799 1.00 0.00 O ATOM 782 CB ARG A 53 71.103 -0.835 -1.518 1.00 0.00 C ATOM 783 CG ARG A 53 70.347 0.428 -1.101 1.00 0.00 C ATOM 784 CD ARG A 53 69.827 1.145 -2.349 1.00 0.00 C ATOM 785 NE ARG A 53 68.391 0.762 -2.442 1.00 0.00 N ATOM 786 CZ ARG A 53 67.699 1.079 -3.501 1.00 0.00 C ATOM 787 NH1 ARG A 53 68.066 2.089 -4.242 1.00 0.00 N ATOM 788 NH2 ARG A 53 66.639 0.388 -3.819 1.00 0.00 N ATOM 0 H ARG A 53 73.362 -1.216 0.323 1.00 0.00 H new ATOM 0 HA ARG A 53 70.465 -1.883 0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 53 72.043 -0.567 -2.000 1.00 0.00 H new ATOM 0 HB3 ARG A 53 70.520 -1.397 -2.247 1.00 0.00 H new ATOM 0 HG2 ARG A 53 69.516 0.168 -0.445 1.00 0.00 H new ATOM 0 HG3 ARG A 53 71.004 1.089 -0.536 1.00 0.00 H new ATOM 0 HD2 ARG A 53 69.943 2.225 -2.261 1.00 0.00 H new ATOM 0 HD3 ARG A 53 70.376 0.837 -3.239 1.00 0.00 H new ATOM 0 HE ARG A 53 67.949 0.252 -1.678 1.00 0.00 H new ATOM 0 HH11 ARG A 53 68.894 2.630 -3.993 1.00 0.00 H new ATOM 0 HH12 ARG A 53 67.525 2.337 -5.070 1.00 0.00 H new ATOM 0 HH21 ARG A 53 66.351 -0.400 -3.239 1.00 0.00 H new ATOM 0 HH22 ARG A 53 66.098 0.636 -4.647 1.00 0.00 H new ATOM 802 N THR A 54 71.078 -4.022 -0.924 1.00 0.00 N ATOM 803 CA THR A 54 71.560 -5.368 -1.321 1.00 0.00 C ATOM 804 C THR A 54 71.939 -5.383 -2.804 1.00 0.00 C ATOM 805 O THR A 54 71.624 -4.475 -3.547 1.00 0.00 O ATOM 806 CB THR A 54 70.374 -6.293 -1.060 1.00 0.00 C ATOM 807 OG1 THR A 54 69.405 -6.121 -2.085 1.00 0.00 O ATOM 808 CG2 THR A 54 69.749 -5.964 0.298 1.00 0.00 C ATOM 0 H THR A 54 70.065 -3.928 -0.852 1.00 0.00 H new ATOM 0 HA THR A 54 72.449 -5.671 -0.769 1.00 0.00 H new ATOM 0 HB THR A 54 70.718 -7.327 -1.054 1.00 0.00 H new ATOM 0 HG1 THR A 54 68.644 -6.716 -1.919 1.00 0.00 H new ATOM 0 HG21 THR A 54 68.903 -6.627 0.479 1.00 0.00 H new ATOM 0 HG22 THR A 54 70.492 -6.101 1.083 1.00 0.00 H new ATOM 0 HG23 THR A 54 69.406 -4.929 0.300 1.00 0.00 H new ATOM 816 N GLY A 55 72.621 -6.407 -3.235 1.00 0.00 N ATOM 817 CA GLY A 55 73.031 -6.489 -4.666 1.00 0.00 C ATOM 818 C GLY A 55 72.899 -7.933 -5.155 1.00 0.00 C ATOM 819 O GLY A 55 73.497 -8.837 -4.611 1.00 0.00 O ATOM 0 H GLY A 55 72.914 -7.194 -2.656 1.00 0.00 H new ATOM 0 HA2 GLY A 55 72.408 -5.831 -5.272 1.00 0.00 H new ATOM 0 HA3 GLY A 55 74.060 -6.148 -4.780 1.00 0.00 H new ATOM 823 N THR A 56 72.124 -8.153 -6.182 1.00 0.00 N ATOM 824 CA THR A 56 71.957 -9.538 -6.716 1.00 0.00 C ATOM 825 C THR A 56 71.855 -10.558 -5.576 1.00 0.00 C ATOM 826 O THR A 56 72.849 -11.019 -5.051 1.00 0.00 O ATOM 827 CB THR A 56 73.217 -9.789 -7.547 1.00 0.00 C ATOM 828 OG1 THR A 56 73.377 -8.737 -8.488 1.00 0.00 O ATOM 829 CG2 THR A 56 73.087 -11.122 -8.286 1.00 0.00 C ATOM 0 H THR A 56 71.598 -7.433 -6.676 1.00 0.00 H new ATOM 0 HA THR A 56 71.044 -9.641 -7.302 1.00 0.00 H new ATOM 0 HB THR A 56 74.086 -9.825 -6.889 1.00 0.00 H new ATOM 0 HG1 THR A 56 74.184 -8.894 -9.021 1.00 0.00 H new ATOM 0 HG21 THR A 56 73.985 -11.299 -8.877 1.00 0.00 H new ATOM 0 HG22 THR A 56 72.964 -11.928 -7.563 1.00 0.00 H new ATOM 0 HG23 THR A 56 72.219 -11.090 -8.945 1.00 0.00 H new ATOM 837 N ASN A 57 70.659 -10.919 -5.197 1.00 0.00 N ATOM 838 CA ASN A 57 70.487 -11.916 -4.098 1.00 0.00 C ATOM 839 C ASN A 57 71.120 -11.406 -2.799 1.00 0.00 C ATOM 840 O ASN A 57 71.039 -10.238 -2.475 1.00 0.00 O ATOM 841 CB ASN A 57 71.202 -13.176 -4.588 1.00 0.00 C ATOM 842 CG ASN A 57 70.671 -13.559 -5.971 1.00 0.00 C ATOM 843 OD1 ASN A 57 71.305 -13.294 -6.972 1.00 0.00 O ATOM 844 ND2 ASN A 57 69.527 -14.178 -6.068 1.00 0.00 N ATOM 0 H ASN A 57 69.791 -10.567 -5.601 1.00 0.00 H new ATOM 0 HA ASN A 57 69.436 -12.102 -3.878 1.00 0.00 H new ATOM 0 HB2 ASN A 57 72.277 -13.002 -4.635 1.00 0.00 H new ATOM 0 HB3 ASN A 57 71.042 -13.994 -3.886 1.00 0.00 H new ATOM 0 HD21 ASN A 57 69.165 -14.440 -6.985 1.00 0.00 H new ATOM 0 HD22 ASN A 57 68.995 -14.401 -5.227 1.00 0.00 H new ATOM 851 N ARG A 58 71.747 -12.275 -2.051 1.00 0.00 N ATOM 852 CA ARG A 58 72.376 -11.842 -0.769 1.00 0.00 C ATOM 853 C ARG A 58 73.898 -11.986 -0.845 1.00 0.00 C ATOM 854 O ARG A 58 74.549 -12.292 0.135 1.00 0.00 O ATOM 855 CB ARG A 58 71.803 -12.785 0.289 1.00 0.00 C ATOM 856 CG ARG A 58 71.898 -14.229 -0.209 1.00 0.00 C ATOM 857 CD ARG A 58 71.703 -15.189 0.967 1.00 0.00 C ATOM 858 NE ARG A 58 70.978 -16.356 0.392 1.00 0.00 N ATOM 859 CZ ARG A 58 71.505 -17.029 -0.595 1.00 0.00 C ATOM 860 NH1 ARG A 58 72.313 -18.023 -0.348 1.00 0.00 N ATOM 861 NH2 ARG A 58 71.223 -16.708 -1.828 1.00 0.00 N ATOM 0 H ARG A 58 71.851 -13.265 -2.272 1.00 0.00 H new ATOM 0 HA ARG A 58 72.169 -10.796 -0.543 1.00 0.00 H new ATOM 0 HB2 ARG A 58 72.351 -12.675 1.225 1.00 0.00 H new ATOM 0 HB3 ARG A 58 70.764 -12.528 0.496 1.00 0.00 H new ATOM 0 HG2 ARG A 58 71.141 -14.412 -0.971 1.00 0.00 H new ATOM 0 HG3 ARG A 58 72.868 -14.401 -0.675 1.00 0.00 H new ATOM 0 HD2 ARG A 58 72.660 -15.490 1.395 1.00 0.00 H new ATOM 0 HD3 ARG A 58 71.129 -14.722 1.767 1.00 0.00 H new ATOM 0 HE ARG A 58 70.070 -16.629 0.769 1.00 0.00 H new ATOM 0 HH11 ARG A 58 72.533 -18.274 0.616 1.00 0.00 H new ATOM 0 HH12 ARG A 58 72.725 -18.549 -1.119 1.00 0.00 H new ATOM 0 HH21 ARG A 58 70.591 -15.931 -2.021 1.00 0.00 H new ATOM 0 HH22 ARG A 58 71.635 -17.234 -2.599 1.00 0.00 H new ATOM 875 N LYS A 59 74.472 -11.764 -1.994 1.00 0.00 N ATOM 876 CA LYS A 59 75.953 -11.885 -2.118 1.00 0.00 C ATOM 877 C LYS A 59 76.555 -10.538 -2.527 1.00 0.00 C ATOM 878 O LYS A 59 77.733 -10.293 -2.353 1.00 0.00 O ATOM 879 CB LYS A 59 76.177 -12.932 -3.210 1.00 0.00 C ATOM 880 CG LYS A 59 75.651 -12.401 -4.545 1.00 0.00 C ATOM 881 CD LYS A 59 76.026 -13.373 -5.665 1.00 0.00 C ATOM 882 CE LYS A 59 76.701 -12.606 -6.805 1.00 0.00 C ATOM 883 NZ LYS A 59 77.102 -13.651 -7.788 1.00 0.00 N ATOM 0 H LYS A 59 73.983 -11.505 -2.851 1.00 0.00 H new ATOM 0 HA LYS A 59 76.427 -12.174 -1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 59 77.239 -13.165 -3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 59 75.667 -13.859 -2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 59 74.568 -12.282 -4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 59 76.072 -11.416 -4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 59 76.697 -14.142 -5.283 1.00 0.00 H new ATOM 0 HD3 LYS A 59 75.135 -13.881 -6.033 1.00 0.00 H new ATOM 0 HE2 LYS A 59 76.019 -11.884 -7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 59 77.566 -12.048 -6.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 77.572 -13.202 -8.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 77.757 -14.320 -7.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 76.257 -14.161 -8.116 1.00 0.00 H new ATOM 897 N PHE A 60 75.750 -9.663 -3.062 1.00 0.00 N ATOM 898 CA PHE A 60 76.263 -8.326 -3.478 1.00 0.00 C ATOM 899 C PHE A 60 75.520 -7.231 -2.710 1.00 0.00 C ATOM 900 O PHE A 60 74.588 -7.500 -1.978 1.00 0.00 O ATOM 901 CB PHE A 60 75.960 -8.240 -4.972 1.00 0.00 C ATOM 902 CG PHE A 60 77.189 -7.794 -5.718 1.00 0.00 C ATOM 903 CD1 PHE A 60 78.169 -8.725 -6.073 1.00 0.00 C ATOM 904 CD2 PHE A 60 77.344 -6.448 -6.059 1.00 0.00 C ATOM 905 CE1 PHE A 60 79.307 -8.307 -6.768 1.00 0.00 C ATOM 906 CE2 PHE A 60 78.480 -6.029 -6.754 1.00 0.00 C ATOM 907 CZ PHE A 60 79.464 -6.958 -7.110 1.00 0.00 C ATOM 0 H PHE A 60 74.756 -9.816 -3.230 1.00 0.00 H new ATOM 0 HA PHE A 60 77.326 -8.197 -3.274 1.00 0.00 H new ATOM 0 HB2 PHE A 60 75.632 -9.211 -5.342 1.00 0.00 H new ATOM 0 HB3 PHE A 60 75.143 -7.540 -5.147 1.00 0.00 H new ATOM 0 HD1 PHE A 60 78.047 -9.766 -5.811 1.00 0.00 H new ATOM 0 HD2 PHE A 60 76.584 -5.731 -5.785 1.00 0.00 H new ATOM 0 HE1 PHE A 60 80.066 -9.025 -7.042 1.00 0.00 H new ATOM 0 HE2 PHE A 60 78.599 -4.988 -7.017 1.00 0.00 H new ATOM 0 HZ PHE A 60 80.343 -6.635 -7.648 1.00 0.00 H new ATOM 917 N GLY A 61 75.921 -6.000 -2.863 1.00 0.00 N ATOM 918 CA GLY A 61 75.224 -4.904 -2.130 1.00 0.00 C ATOM 919 C GLY A 61 75.799 -3.538 -2.518 1.00 0.00 C ATOM 920 O GLY A 61 76.967 -3.401 -2.820 1.00 0.00 O ATOM 0 H GLY A 61 76.695 -5.706 -3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.158 -4.932 -2.354 1.00 0.00 H new ATOM 0 HA3 GLY A 61 75.328 -5.055 -1.056 1.00 0.00 H new ATOM 924 N TYR A 62 74.972 -2.526 -2.496 1.00 0.00 N ATOM 925 CA TYR A 62 75.435 -1.150 -2.846 1.00 0.00 C ATOM 926 C TYR A 62 75.409 -0.279 -1.586 1.00 0.00 C ATOM 927 O TYR A 62 74.708 -0.578 -0.639 1.00 0.00 O ATOM 928 CB TYR A 62 74.415 -0.655 -3.877 1.00 0.00 C ATOM 929 CG TYR A 62 74.774 0.739 -4.334 1.00 0.00 C ATOM 930 CD1 TYR A 62 74.628 1.822 -3.461 1.00 0.00 C ATOM 931 CD2 TYR A 62 75.244 0.948 -5.636 1.00 0.00 C ATOM 932 CE1 TYR A 62 74.954 3.115 -3.888 1.00 0.00 C ATOM 933 CE2 TYR A 62 75.571 2.241 -6.063 1.00 0.00 C ATOM 934 CZ TYR A 62 75.426 3.324 -5.189 1.00 0.00 C ATOM 935 OH TYR A 62 75.746 4.598 -5.612 1.00 0.00 O ATOM 0 H TYR A 62 73.985 -2.595 -2.248 1.00 0.00 H new ATOM 0 HA TYR A 62 76.451 -1.119 -3.239 1.00 0.00 H new ATOM 0 HB2 TYR A 62 74.392 -1.332 -4.731 1.00 0.00 H new ATOM 0 HB3 TYR A 62 73.416 -0.657 -3.442 1.00 0.00 H new ATOM 0 HD1 TYR A 62 74.264 1.661 -2.457 1.00 0.00 H new ATOM 0 HD2 TYR A 62 75.354 0.112 -6.311 1.00 0.00 H new ATOM 0 HE1 TYR A 62 74.841 3.951 -3.214 1.00 0.00 H new ATOM 0 HE2 TYR A 62 75.935 2.402 -7.067 1.00 0.00 H new ATOM 0 HH TYR A 62 76.059 4.566 -6.540 1.00 0.00 H new ATOM 945 N VAL A 63 76.165 0.785 -1.548 1.00 0.00 N ATOM 946 CA VAL A 63 76.158 1.635 -0.323 1.00 0.00 C ATOM 947 C VAL A 63 76.229 3.123 -0.678 1.00 0.00 C ATOM 948 O VAL A 63 76.425 3.501 -1.816 1.00 0.00 O ATOM 949 CB VAL A 63 77.391 1.180 0.478 1.00 0.00 C ATOM 950 CG1 VAL A 63 78.561 2.158 0.307 1.00 0.00 C ATOM 951 CG2 VAL A 63 77.026 1.085 1.962 1.00 0.00 C ATOM 0 H VAL A 63 76.778 1.099 -2.300 1.00 0.00 H new ATOM 0 HA VAL A 63 75.239 1.521 0.252 1.00 0.00 H new ATOM 0 HB VAL A 63 77.701 0.206 0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 63 79.416 1.807 0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 63 78.835 2.217 -0.746 1.00 0.00 H new ATOM 0 HG13 VAL A 63 78.264 3.146 0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 63 77.898 0.763 2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 63 76.700 2.062 2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 63 76.220 0.363 2.093 1.00 0.00 H new ATOM 961 N ASP A 64 76.074 3.961 0.305 1.00 0.00 N ATOM 962 CA ASP A 64 76.127 5.425 0.072 1.00 0.00 C ATOM 963 C ASP A 64 76.958 6.086 1.172 1.00 0.00 C ATOM 964 O ASP A 64 76.819 5.770 2.339 1.00 0.00 O ATOM 965 CB ASP A 64 74.680 5.890 0.159 1.00 0.00 C ATOM 966 CG ASP A 64 73.771 4.914 -0.594 1.00 0.00 C ATOM 967 OD1 ASP A 64 73.343 3.946 0.012 1.00 0.00 O ATOM 968 OD2 ASP A 64 73.520 5.152 -1.764 1.00 0.00 O ATOM 0 H ASP A 64 75.910 3.688 1.274 1.00 0.00 H new ATOM 0 HA ASP A 64 76.581 5.680 -0.885 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.372 5.955 1.203 1.00 0.00 H new ATOM 0 HB3 ASP A 64 74.584 6.890 -0.265 1.00 0.00 H new ATOM 973 N PHE A 65 77.820 6.994 0.809 1.00 0.00 N ATOM 974 CA PHE A 65 78.670 7.668 1.831 1.00 0.00 C ATOM 975 C PHE A 65 78.203 9.104 2.071 1.00 0.00 C ATOM 976 O PHE A 65 77.232 9.558 1.499 1.00 0.00 O ATOM 977 CB PHE A 65 80.080 7.642 1.239 1.00 0.00 C ATOM 978 CG PHE A 65 80.589 6.222 1.241 1.00 0.00 C ATOM 979 CD1 PHE A 65 80.335 5.388 2.337 1.00 0.00 C ATOM 980 CD2 PHE A 65 81.307 5.734 0.143 1.00 0.00 C ATOM 981 CE1 PHE A 65 80.798 4.070 2.336 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.772 4.414 0.143 1.00 0.00 C ATOM 983 CZ PHE A 65 81.517 3.582 1.241 1.00 0.00 C ATOM 0 H PHE A 65 77.973 7.299 -0.152 1.00 0.00 H new ATOM 0 HA PHE A 65 78.621 7.171 2.800 1.00 0.00 H new ATOM 0 HB2 PHE A 65 80.069 8.036 0.223 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.744 8.281 1.821 1.00 0.00 H new ATOM 0 HD1 PHE A 65 79.781 5.764 3.184 1.00 0.00 H new ATOM 0 HD2 PHE A 65 81.502 6.376 -0.704 1.00 0.00 H new ATOM 0 HE1 PHE A 65 80.600 3.428 3.182 1.00 0.00 H new ATOM 0 HE2 PHE A 65 82.327 4.037 -0.703 1.00 0.00 H new ATOM 0 HZ PHE A 65 81.876 2.563 1.241 1.00 0.00 H new ATOM 993 N GLU A 66 78.883 9.817 2.928 1.00 0.00 N ATOM 994 CA GLU A 66 78.472 11.218 3.226 1.00 0.00 C ATOM 995 C GLU A 66 79.564 12.208 2.822 1.00 0.00 C ATOM 996 O GLU A 66 79.468 13.391 3.082 1.00 0.00 O ATOM 997 CB GLU A 66 78.253 11.253 4.743 1.00 0.00 C ATOM 998 CG GLU A 66 79.602 11.362 5.463 1.00 0.00 C ATOM 999 CD GLU A 66 80.033 12.828 5.525 1.00 0.00 C ATOM 1000 OE1 GLU A 66 79.161 13.680 5.557 1.00 0.00 O ATOM 1001 OE2 GLU A 66 81.228 13.072 5.540 1.00 0.00 O ATOM 0 H GLU A 66 79.705 9.489 3.434 1.00 0.00 H new ATOM 0 HA GLU A 66 77.578 11.503 2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 66 77.620 12.100 5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 66 77.731 10.352 5.065 1.00 0.00 H new ATOM 0 HG2 GLU A 66 79.522 10.953 6.470 1.00 0.00 H new ATOM 0 HG3 GLU A 66 80.354 10.773 4.938 1.00 0.00 H new ATOM 1008 N SER A 67 80.602 11.739 2.200 1.00 0.00 N ATOM 1009 CA SER A 67 81.697 12.673 1.798 1.00 0.00 C ATOM 1010 C SER A 67 82.694 12.018 0.857 1.00 0.00 C ATOM 1011 O SER A 67 82.655 10.831 0.592 1.00 0.00 O ATOM 1012 CB SER A 67 82.405 13.040 3.097 1.00 0.00 C ATOM 1013 OG SER A 67 82.598 11.866 3.875 1.00 0.00 O ATOM 0 H SER A 67 80.745 10.760 1.951 1.00 0.00 H new ATOM 0 HA SER A 67 81.288 13.533 1.268 1.00 0.00 H new ATOM 0 HB2 SER A 67 83.365 13.509 2.881 1.00 0.00 H new ATOM 0 HB3 SER A 67 81.813 13.766 3.654 1.00 0.00 H new ATOM 0 HG SER A 67 82.268 12.019 4.785 1.00 0.00 H new ATOM 1019 N ALA A 68 83.619 12.801 0.390 1.00 0.00 N ATOM 1020 CA ALA A 68 84.680 12.277 -0.501 1.00 0.00 C ATOM 1021 C ALA A 68 85.718 11.603 0.372 1.00 0.00 C ATOM 1022 O ALA A 68 86.459 10.738 -0.052 1.00 0.00 O ATOM 1023 CB ALA A 68 85.276 13.518 -1.152 1.00 0.00 C ATOM 0 H ALA A 68 83.685 13.799 0.592 1.00 0.00 H new ATOM 0 HA ALA A 68 84.324 11.562 -1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 68 86.075 13.224 -1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.501 14.045 -1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.679 14.175 -0.381 1.00 0.00 H new ATOM 1029 N GLU A 69 85.756 12.009 1.604 1.00 0.00 N ATOM 1030 CA GLU A 69 86.720 11.427 2.559 1.00 0.00 C ATOM 1031 C GLU A 69 86.149 10.121 3.109 1.00 0.00 C ATOM 1032 O GLU A 69 86.872 9.213 3.477 1.00 0.00 O ATOM 1033 CB GLU A 69 86.837 12.488 3.645 1.00 0.00 C ATOM 1034 CG GLU A 69 88.306 12.682 4.009 1.00 0.00 C ATOM 1035 CD GLU A 69 88.537 12.257 5.460 1.00 0.00 C ATOM 1036 OE1 GLU A 69 87.619 12.397 6.251 1.00 0.00 O ATOM 1037 OE2 GLU A 69 89.629 11.800 5.757 1.00 0.00 O ATOM 0 H GLU A 69 85.149 12.731 1.993 1.00 0.00 H new ATOM 0 HA GLU A 69 87.690 11.186 2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 69 86.410 13.429 3.297 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.270 12.187 4.526 1.00 0.00 H new ATOM 0 HG2 GLU A 69 88.937 12.094 3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 69 88.589 13.726 3.876 1.00 0.00 H new ATOM 1044 N ASP A 70 84.849 10.005 3.125 1.00 0.00 N ATOM 1045 CA ASP A 70 84.222 8.752 3.604 1.00 0.00 C ATOM 1046 C ASP A 70 84.268 7.760 2.452 1.00 0.00 C ATOM 1047 O ASP A 70 84.330 6.560 2.637 1.00 0.00 O ATOM 1048 CB ASP A 70 82.784 9.140 3.957 1.00 0.00 C ATOM 1049 CG ASP A 70 81.888 7.900 3.938 1.00 0.00 C ATOM 1050 OD1 ASP A 70 82.422 6.804 3.964 1.00 0.00 O ATOM 1051 OD2 ASP A 70 80.680 8.072 3.900 1.00 0.00 O ATOM 0 H ASP A 70 84.197 10.729 2.825 1.00 0.00 H new ATOM 0 HA ASP A 70 84.714 8.299 4.465 1.00 0.00 H new ATOM 0 HB2 ASP A 70 82.755 9.604 4.943 1.00 0.00 H new ATOM 0 HB3 ASP A 70 82.413 9.878 3.246 1.00 0.00 H new ATOM 1056 N LEU A 71 84.268 8.274 1.252 1.00 0.00 N ATOM 1057 CA LEU A 71 84.341 7.387 0.070 1.00 0.00 C ATOM 1058 C LEU A 71 85.775 6.872 -0.079 1.00 0.00 C ATOM 1059 O LEU A 71 86.007 5.734 -0.437 1.00 0.00 O ATOM 1060 CB LEU A 71 83.953 8.269 -1.119 1.00 0.00 C ATOM 1061 CG LEU A 71 84.252 7.530 -2.424 1.00 0.00 C ATOM 1062 CD1 LEU A 71 82.938 7.142 -3.104 1.00 0.00 C ATOM 1063 CD2 LEU A 71 85.056 8.443 -3.352 1.00 0.00 C ATOM 0 H LEU A 71 84.220 9.272 1.045 1.00 0.00 H new ATOM 0 HA LEU A 71 83.686 6.519 0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 71 82.894 8.522 -1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 71 84.507 9.207 -1.085 1.00 0.00 H new ATOM 0 HG LEU A 71 84.828 6.630 -2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 71 83.151 6.615 -4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 71 82.364 6.493 -2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 71 82.361 8.041 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 71 85.270 7.918 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 71 84.479 9.342 -3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 71 85.993 8.720 -2.868 1.00 0.00 H new ATOM 1075 N GLU A 72 86.739 7.707 0.211 1.00 0.00 N ATOM 1076 CA GLU A 72 88.162 7.276 0.108 1.00 0.00 C ATOM 1077 C GLU A 72 88.470 6.269 1.217 1.00 0.00 C ATOM 1078 O GLU A 72 89.224 5.328 1.031 1.00 0.00 O ATOM 1079 CB GLU A 72 88.981 8.553 0.297 1.00 0.00 C ATOM 1080 CG GLU A 72 90.465 8.196 0.397 1.00 0.00 C ATOM 1081 CD GLU A 72 91.261 9.432 0.823 1.00 0.00 C ATOM 1082 OE1 GLU A 72 90.645 10.377 1.288 1.00 0.00 O ATOM 1083 OE2 GLU A 72 92.472 9.411 0.678 1.00 0.00 O ATOM 0 H GLU A 72 86.600 8.671 0.515 1.00 0.00 H new ATOM 0 HA GLU A 72 88.387 6.793 -0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.815 9.232 -0.540 1.00 0.00 H new ATOM 0 HB3 GLU A 72 88.660 9.074 1.199 1.00 0.00 H new ATOM 0 HG2 GLU A 72 90.608 7.392 1.119 1.00 0.00 H new ATOM 0 HG3 GLU A 72 90.827 7.831 -0.564 1.00 0.00 H new ATOM 1090 N LYS A 73 87.860 6.429 2.361 1.00 0.00 N ATOM 1091 CA LYS A 73 88.091 5.461 3.453 1.00 0.00 C ATOM 1092 C LYS A 73 87.357 4.191 3.075 1.00 0.00 C ATOM 1093 O LYS A 73 87.713 3.099 3.471 1.00 0.00 O ATOM 1094 CB LYS A 73 87.484 6.098 4.704 1.00 0.00 C ATOM 1095 CG LYS A 73 88.291 5.679 5.934 1.00 0.00 C ATOM 1096 CD LYS A 73 89.668 6.345 5.893 1.00 0.00 C ATOM 1097 CE LYS A 73 89.504 7.863 6.013 1.00 0.00 C ATOM 1098 NZ LYS A 73 90.775 8.340 6.628 1.00 0.00 N ATOM 0 H LYS A 73 87.215 7.188 2.579 1.00 0.00 H new ATOM 0 HA LYS A 73 89.141 5.225 3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 73 87.484 7.184 4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 73 86.445 5.788 4.815 1.00 0.00 H new ATOM 0 HG2 LYS A 73 87.763 5.966 6.843 1.00 0.00 H new ATOM 0 HG3 LYS A 73 88.400 4.595 5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 73 90.290 5.970 6.706 1.00 0.00 H new ATOM 0 HD3 LYS A 73 90.177 6.096 4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 73 89.341 8.321 5.037 1.00 0.00 H new ATOM 0 HE3 LYS A 73 88.645 8.120 6.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 90.739 9.373 6.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 90.900 7.893 7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 91.575 8.088 6.013 1.00 0.00 H new ATOM 1112 N ALA A 74 86.338 4.339 2.276 1.00 0.00 N ATOM 1113 CA ALA A 74 85.581 3.159 1.828 1.00 0.00 C ATOM 1114 C ALA A 74 86.430 2.389 0.816 1.00 0.00 C ATOM 1115 O ALA A 74 86.312 1.191 0.658 1.00 0.00 O ATOM 1116 CB ALA A 74 84.317 3.713 1.170 1.00 0.00 C ATOM 0 H ALA A 74 86.003 5.233 1.918 1.00 0.00 H new ATOM 0 HA ALA A 74 85.330 2.477 2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 74 83.702 2.888 0.811 1.00 0.00 H new ATOM 0 HB2 ALA A 74 83.753 4.295 1.898 1.00 0.00 H new ATOM 0 HB3 ALA A 74 84.594 4.351 0.331 1.00 0.00 H new ATOM 1122 N LEU A 75 87.302 3.078 0.137 1.00 0.00 N ATOM 1123 CA LEU A 75 88.177 2.406 -0.853 1.00 0.00 C ATOM 1124 C LEU A 75 89.283 1.650 -0.120 1.00 0.00 C ATOM 1125 O LEU A 75 89.718 0.597 -0.542 1.00 0.00 O ATOM 1126 CB LEU A 75 88.759 3.550 -1.680 1.00 0.00 C ATOM 1127 CG LEU A 75 89.278 3.014 -3.010 1.00 0.00 C ATOM 1128 CD1 LEU A 75 90.508 2.139 -2.762 1.00 0.00 C ATOM 1129 CD2 LEU A 75 88.186 2.184 -3.688 1.00 0.00 C ATOM 0 H LEU A 75 87.445 4.084 0.228 1.00 0.00 H new ATOM 0 HA LEU A 75 87.650 1.682 -1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 75 87.996 4.308 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 75 89.568 4.033 -1.131 1.00 0.00 H new ATOM 0 HG LEU A 75 89.551 3.848 -3.656 1.00 0.00 H new ATOM 0 HD11 LEU A 75 90.879 1.756 -3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 75 91.286 2.732 -2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 75 90.237 1.305 -2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 75 88.557 1.801 -4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 75 87.910 1.349 -3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 75 87.311 2.809 -3.866 1.00 0.00 H new ATOM 1141 N GLU A 76 89.741 2.183 0.980 1.00 0.00 N ATOM 1142 CA GLU A 76 90.822 1.498 1.744 1.00 0.00 C ATOM 1143 C GLU A 76 90.239 0.398 2.643 1.00 0.00 C ATOM 1144 O GLU A 76 90.951 -0.464 3.117 1.00 0.00 O ATOM 1145 CB GLU A 76 91.466 2.593 2.593 1.00 0.00 C ATOM 1146 CG GLU A 76 92.979 2.589 2.368 1.00 0.00 C ATOM 1147 CD GLU A 76 93.439 3.991 1.964 1.00 0.00 C ATOM 1148 OE1 GLU A 76 92.658 4.916 2.115 1.00 0.00 O ATOM 1149 OE2 GLU A 76 94.566 4.116 1.512 1.00 0.00 O ATOM 0 H GLU A 76 89.414 3.062 1.382 1.00 0.00 H new ATOM 0 HA GLU A 76 91.541 1.014 1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 76 91.051 3.565 2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.244 2.428 3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 76 93.492 2.274 3.277 1.00 0.00 H new ATOM 0 HG3 GLU A 76 93.240 1.871 1.590 1.00 0.00 H new ATOM 1156 N LEU A 77 88.956 0.421 2.889 1.00 0.00 N ATOM 1157 CA LEU A 77 88.350 -0.625 3.764 1.00 0.00 C ATOM 1158 C LEU A 77 88.433 -1.997 3.095 1.00 0.00 C ATOM 1159 O LEU A 77 88.290 -3.024 3.729 1.00 0.00 O ATOM 1160 CB LEU A 77 86.893 -0.194 3.951 1.00 0.00 C ATOM 1161 CG LEU A 77 86.024 -0.658 2.775 1.00 0.00 C ATOM 1162 CD1 LEU A 77 85.671 -2.137 2.945 1.00 0.00 C ATOM 1163 CD2 LEU A 77 84.727 0.154 2.753 1.00 0.00 C ATOM 0 H LEU A 77 88.304 1.115 2.524 1.00 0.00 H new ATOM 0 HA LEU A 77 88.870 -0.715 4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 77 86.504 -0.610 4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 77 86.840 0.891 4.040 1.00 0.00 H new ATOM 0 HG LEU A 77 86.575 -0.514 1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 77 85.054 -2.462 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 77 86.586 -2.729 2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 77 85.121 -2.275 3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 77 84.107 -0.173 1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 77 84.187 0.002 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 77 84.962 1.212 2.637 1.00 0.00 H new ATOM 1175 N THR A 78 88.650 -2.013 1.815 1.00 0.00 N ATOM 1176 CA THR A 78 88.733 -3.309 1.070 1.00 0.00 C ATOM 1177 C THR A 78 89.644 -4.310 1.776 1.00 0.00 C ATOM 1178 O THR A 78 89.605 -5.496 1.514 1.00 0.00 O ATOM 1179 CB THR A 78 89.288 -2.947 -0.307 1.00 0.00 C ATOM 1180 OG1 THR A 78 88.951 -1.601 -0.613 1.00 0.00 O ATOM 1181 CG2 THR A 78 88.687 -3.876 -1.363 1.00 0.00 C ATOM 0 H THR A 78 88.776 -1.179 1.241 1.00 0.00 H new ATOM 0 HA THR A 78 87.757 -3.791 1.006 1.00 0.00 H new ATOM 0 HB THR A 78 90.372 -3.059 -0.302 1.00 0.00 H new ATOM 0 HG1 THR A 78 89.751 -1.039 -0.542 1.00 0.00 H new ATOM 0 HG21 THR A 78 89.084 -3.616 -2.344 1.00 0.00 H new ATOM 0 HG22 THR A 78 88.946 -4.909 -1.129 1.00 0.00 H new ATOM 0 HG23 THR A 78 87.603 -3.766 -1.370 1.00 0.00 H new ATOM 1189 N GLY A 79 90.452 -3.845 2.667 1.00 0.00 N ATOM 1190 CA GLY A 79 91.367 -4.761 3.408 1.00 0.00 C ATOM 1191 C GLY A 79 90.618 -5.410 4.579 1.00 0.00 C ATOM 1192 O GLY A 79 91.216 -5.977 5.470 1.00 0.00 O ATOM 0 H GLY A 79 90.526 -2.861 2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 79 91.747 -5.531 2.737 1.00 0.00 H new ATOM 0 HA3 GLY A 79 92.229 -4.207 3.779 1.00 0.00 H new ATOM 1196 N LEU A 80 89.312 -5.330 4.584 1.00 0.00 N ATOM 1197 CA LEU A 80 88.525 -5.941 5.695 1.00 0.00 C ATOM 1198 C LEU A 80 87.927 -7.275 5.256 1.00 0.00 C ATOM 1199 O LEU A 80 88.336 -7.862 4.276 1.00 0.00 O ATOM 1200 CB LEU A 80 87.416 -4.930 5.991 1.00 0.00 C ATOM 1201 CG LEU A 80 87.769 -4.147 7.257 1.00 0.00 C ATOM 1202 CD1 LEU A 80 87.271 -2.708 7.125 1.00 0.00 C ATOM 1203 CD2 LEU A 80 87.104 -4.808 8.467 1.00 0.00 C ATOM 0 H LEU A 80 88.756 -4.867 3.865 1.00 0.00 H new ATOM 0 HA LEU A 80 89.141 -6.146 6.571 1.00 0.00 H new ATOM 0 HB2 LEU A 80 87.296 -4.248 5.149 1.00 0.00 H new ATOM 0 HB3 LEU A 80 86.464 -5.445 6.122 1.00 0.00 H new ATOM 0 HG LEU A 80 88.851 -4.145 7.392 1.00 0.00 H new ATOM 0 HD11 LEU A 80 87.523 -2.151 8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 80 87.745 -2.237 6.264 1.00 0.00 H new ATOM 0 HD13 LEU A 80 86.189 -2.708 6.989 1.00 0.00 H new ATOM 0 HD21 LEU A 80 87.355 -4.251 9.370 1.00 0.00 H new ATOM 0 HD22 LEU A 80 86.022 -4.811 8.331 1.00 0.00 H new ATOM 0 HD23 LEU A 80 87.460 -5.834 8.563 1.00 0.00 H new ATOM 1215 N LYS A 81 86.967 -7.754 5.989 1.00 0.00 N ATOM 1216 CA LYS A 81 86.324 -9.055 5.642 1.00 0.00 C ATOM 1217 C LYS A 81 85.071 -9.238 6.467 1.00 0.00 C ATOM 1218 O LYS A 81 84.854 -10.262 7.079 1.00 0.00 O ATOM 1219 CB LYS A 81 87.339 -10.102 6.008 1.00 0.00 C ATOM 1220 CG LYS A 81 87.675 -10.960 4.789 1.00 0.00 C ATOM 1221 CD LYS A 81 88.584 -12.115 5.214 1.00 0.00 C ATOM 1222 CE LYS A 81 88.087 -13.416 4.580 1.00 0.00 C ATOM 1223 NZ LYS A 81 89.290 -14.290 4.505 1.00 0.00 N ATOM 0 H LYS A 81 86.594 -7.299 6.822 1.00 0.00 H new ATOM 0 HA LYS A 81 86.039 -9.111 4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 81 88.243 -9.626 6.387 1.00 0.00 H new ATOM 0 HB3 LYS A 81 86.951 -10.731 6.809 1.00 0.00 H new ATOM 0 HG2 LYS A 81 86.760 -11.349 4.341 1.00 0.00 H new ATOM 0 HG3 LYS A 81 88.169 -10.354 4.030 1.00 0.00 H new ATOM 0 HD2 LYS A 81 89.610 -11.917 4.905 1.00 0.00 H new ATOM 0 HD3 LYS A 81 88.590 -12.206 6.300 1.00 0.00 H new ATOM 0 HE2 LYS A 81 87.303 -13.874 5.182 1.00 0.00 H new ATOM 0 HE3 LYS A 81 87.666 -13.238 3.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 89.030 -15.203 4.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 90.017 -13.831 3.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 89.665 -14.448 5.462 1.00 0.00 H new ATOM 1237 N VAL A 82 84.276 -8.225 6.452 1.00 0.00 N ATOM 1238 CA VAL A 82 82.969 -8.190 7.208 1.00 0.00 C ATOM 1239 C VAL A 82 82.789 -9.431 8.085 1.00 0.00 C ATOM 1240 O VAL A 82 83.613 -9.729 8.928 1.00 0.00 O ATOM 1241 CB VAL A 82 81.894 -8.118 6.122 1.00 0.00 C ATOM 1242 CG1 VAL A 82 80.558 -7.710 6.749 1.00 0.00 C ATOM 1243 CG2 VAL A 82 82.295 -7.072 5.085 1.00 0.00 C ATOM 0 H VAL A 82 84.470 -7.371 5.929 1.00 0.00 H new ATOM 0 HA VAL A 82 82.921 -7.344 7.893 1.00 0.00 H new ATOM 0 HB VAL A 82 81.794 -9.094 5.647 1.00 0.00 H new ATOM 0 HG11 VAL A 82 79.793 -7.659 5.974 1.00 0.00 H new ATOM 0 HG12 VAL A 82 80.267 -8.447 7.498 1.00 0.00 H new ATOM 0 HG13 VAL A 82 80.661 -6.733 7.222 1.00 0.00 H new ATOM 0 HG21 VAL A 82 81.531 -7.018 4.309 1.00 0.00 H new ATOM 0 HG22 VAL A 82 82.392 -6.100 5.568 1.00 0.00 H new ATOM 0 HG23 VAL A 82 83.249 -7.351 4.637 1.00 0.00 H new ATOM 1253 N PHE A 83 81.732 -10.161 7.896 1.00 0.00 N ATOM 1254 CA PHE A 83 81.528 -11.387 8.711 1.00 0.00 C ATOM 1255 C PHE A 83 82.515 -12.468 8.258 1.00 0.00 C ATOM 1256 O PHE A 83 82.576 -13.546 8.814 1.00 0.00 O ATOM 1257 CB PHE A 83 80.085 -11.818 8.440 1.00 0.00 C ATOM 1258 CG PHE A 83 79.148 -11.056 9.348 1.00 0.00 C ATOM 1259 CD1 PHE A 83 79.362 -9.693 9.592 1.00 0.00 C ATOM 1260 CD2 PHE A 83 78.064 -11.711 9.944 1.00 0.00 C ATOM 1261 CE1 PHE A 83 78.493 -8.988 10.434 1.00 0.00 C ATOM 1262 CE2 PHE A 83 77.196 -11.006 10.785 1.00 0.00 C ATOM 1263 CZ PHE A 83 77.410 -9.644 11.030 1.00 0.00 C ATOM 0 H PHE A 83 81.000 -9.964 7.214 1.00 0.00 H new ATOM 0 HA PHE A 83 81.696 -11.218 9.775 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.829 -11.631 7.397 1.00 0.00 H new ATOM 0 HB3 PHE A 83 79.978 -12.890 8.607 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.197 -9.186 9.131 1.00 0.00 H new ATOM 0 HD2 PHE A 83 77.898 -12.761 9.755 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.659 -7.938 10.623 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.361 -11.513 11.245 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.739 -9.100 11.679 1.00 0.00 H new ATOM 1273 N GLY A 84 83.289 -12.176 7.247 1.00 0.00 N ATOM 1274 CA GLY A 84 84.279 -13.163 6.741 1.00 0.00 C ATOM 1275 C GLY A 84 84.413 -13.010 5.224 1.00 0.00 C ATOM 1276 O GLY A 84 84.601 -13.975 4.510 1.00 0.00 O ATOM 0 H GLY A 84 83.275 -11.287 6.747 1.00 0.00 H new ATOM 0 HA2 GLY A 84 85.245 -13.006 7.221 1.00 0.00 H new ATOM 0 HA3 GLY A 84 83.961 -14.175 6.990 1.00 0.00 H new ATOM 1280 N ASN A 85 84.318 -11.805 4.722 1.00 0.00 N ATOM 1281 CA ASN A 85 84.442 -11.604 3.249 1.00 0.00 C ATOM 1282 C ASN A 85 84.845 -10.162 2.951 1.00 0.00 C ATOM 1283 O ASN A 85 84.036 -9.257 3.003 1.00 0.00 O ATOM 1284 CB ASN A 85 83.052 -11.899 2.686 1.00 0.00 C ATOM 1285 CG ASN A 85 83.084 -13.213 1.903 1.00 0.00 C ATOM 1286 OD1 ASN A 85 82.288 -13.368 0.880 1.00 0.00 O flip ATOM 1287 ND2 ASN A 85 83.841 -14.107 2.224 1.00 0.00 N flip ATOM 0 H ASN A 85 84.161 -10.957 5.266 1.00 0.00 H new ATOM 0 HA ASN A 85 85.202 -12.248 2.807 1.00 0.00 H new ATOM 0 HB2 ASN A 85 82.327 -11.965 3.497 1.00 0.00 H new ATOM 0 HB3 ASN A 85 82.731 -11.085 2.036 1.00 0.00 H new ATOM 0 HD21 ASN A 85 84.463 -13.986 3.023 1.00 0.00 H new ATOM 0 HD22 ASN A 85 83.855 -14.979 1.694 1.00 0.00 H new ATOM 1294 N GLU A 86 86.093 -9.935 2.651 1.00 0.00 N ATOM 1295 CA GLU A 86 86.547 -8.547 2.365 1.00 0.00 C ATOM 1296 C GLU A 86 85.663 -7.917 1.300 1.00 0.00 C ATOM 1297 O GLU A 86 85.913 -8.028 0.117 1.00 0.00 O ATOM 1298 CB GLU A 86 87.985 -8.684 1.876 1.00 0.00 C ATOM 1299 CG GLU A 86 88.009 -9.448 0.551 1.00 0.00 C ATOM 1300 CD GLU A 86 89.202 -10.406 0.537 1.00 0.00 C ATOM 1301 OE1 GLU A 86 89.553 -10.898 1.596 1.00 0.00 O ATOM 1302 OE2 GLU A 86 89.743 -10.631 -0.533 1.00 0.00 O ATOM 0 H GLU A 86 86.818 -10.650 2.592 1.00 0.00 H new ATOM 0 HA GLU A 86 86.487 -7.903 3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 86 88.431 -7.698 1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 86 88.584 -9.209 2.620 1.00 0.00 H new ATOM 0 HG2 GLU A 86 87.081 -10.004 0.423 1.00 0.00 H new ATOM 0 HG3 GLU A 86 88.080 -8.749 -0.283 1.00 0.00 H new ATOM 1309 N ILE A 87 84.622 -7.264 1.726 1.00 0.00 N ATOM 1310 CA ILE A 87 83.689 -6.617 0.761 1.00 0.00 C ATOM 1311 C ILE A 87 84.456 -6.015 -0.411 1.00 0.00 C ATOM 1312 O ILE A 87 85.573 -5.557 -0.275 1.00 0.00 O ATOM 1313 CB ILE A 87 82.986 -5.504 1.535 1.00 0.00 C ATOM 1314 CG1 ILE A 87 84.023 -4.751 2.399 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.863 -6.106 2.386 1.00 0.00 C ATOM 1316 CD1 ILE A 87 83.848 -5.053 3.893 1.00 0.00 C ATOM 0 H ILE A 87 84.374 -7.149 2.709 1.00 0.00 H new ATOM 0 HA ILE A 87 82.985 -7.343 0.355 1.00 0.00 H new ATOM 0 HB ILE A 87 82.536 -4.787 0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 87 85.029 -5.032 2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 87 83.925 -3.678 2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 87 81.360 -5.313 2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 87 81.145 -6.608 1.738 1.00 0.00 H new ATOM 0 HG23 ILE A 87 82.284 -6.826 3.087 1.00 0.00 H new ATOM 0 HD11 ILE A 87 84.596 -4.504 4.465 1.00 0.00 H new ATOM 0 HD12 ILE A 87 82.851 -4.747 4.212 1.00 0.00 H new ATOM 0 HD13 ILE A 87 83.972 -6.122 4.065 1.00 0.00 H new ATOM 1328 N LYS A 88 83.848 -6.003 -1.554 1.00 0.00 N ATOM 1329 CA LYS A 88 84.509 -5.420 -2.752 1.00 0.00 C ATOM 1330 C LYS A 88 83.642 -4.294 -3.314 1.00 0.00 C ATOM 1331 O LYS A 88 82.452 -4.241 -3.081 1.00 0.00 O ATOM 1332 CB LYS A 88 84.617 -6.568 -3.754 1.00 0.00 C ATOM 1333 CG LYS A 88 85.208 -6.048 -5.067 1.00 0.00 C ATOM 1334 CD LYS A 88 86.235 -7.050 -5.598 1.00 0.00 C ATOM 1335 CE LYS A 88 85.532 -8.363 -5.951 1.00 0.00 C ATOM 1336 NZ LYS A 88 86.578 -9.194 -6.609 1.00 0.00 N ATOM 0 H LYS A 88 82.912 -6.375 -1.716 1.00 0.00 H new ATOM 0 HA LYS A 88 85.488 -4.997 -2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 88 85.246 -7.360 -3.349 1.00 0.00 H new ATOM 0 HB3 LYS A 88 83.633 -7.002 -3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 88 84.416 -5.900 -5.801 1.00 0.00 H new ATOM 0 HG3 LYS A 88 85.680 -5.078 -4.907 1.00 0.00 H new ATOM 0 HD2 LYS A 88 86.734 -6.644 -6.478 1.00 0.00 H new ATOM 0 HD3 LYS A 88 87.006 -7.228 -4.849 1.00 0.00 H new ATOM 0 HE2 LYS A 88 85.141 -8.854 -5.060 1.00 0.00 H new ATOM 0 HE3 LYS A 88 84.687 -8.192 -6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 86.172 -10.112 -6.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 86.927 -8.705 -7.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 87.367 -9.346 -5.949 1.00 0.00 H new ATOM 1350 N LEU A 89 84.224 -3.386 -4.038 1.00 0.00 N ATOM 1351 CA LEU A 89 83.433 -2.267 -4.597 1.00 0.00 C ATOM 1352 C LEU A 89 83.368 -2.369 -6.122 1.00 0.00 C ATOM 1353 O LEU A 89 84.013 -3.201 -6.729 1.00 0.00 O ATOM 1354 CB LEU A 89 84.206 -1.023 -4.174 1.00 0.00 C ATOM 1355 CG LEU A 89 84.221 -0.923 -2.648 1.00 0.00 C ATOM 1356 CD1 LEU A 89 85.634 -1.199 -2.133 1.00 0.00 C ATOM 1357 CD2 LEU A 89 83.792 0.482 -2.224 1.00 0.00 C ATOM 0 H LEU A 89 85.218 -3.372 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 89 82.402 -2.260 -4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.226 -1.069 -4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 89 83.745 -0.133 -4.602 1.00 0.00 H new ATOM 0 HG LEU A 89 83.531 -1.656 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 89 85.645 -1.128 -1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 89 85.942 -2.200 -2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 89 86.324 -0.466 -2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 89 83.803 0.553 -1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.482 1.215 -2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 89 82.785 0.681 -2.591 1.00 0.00 H new ATOM 1369 N GLU A 90 82.594 -1.525 -6.745 1.00 0.00 N ATOM 1370 CA GLU A 90 82.483 -1.566 -8.231 1.00 0.00 C ATOM 1371 C GLU A 90 81.829 -0.282 -8.744 1.00 0.00 C ATOM 1372 O GLU A 90 80.711 0.039 -8.392 1.00 0.00 O ATOM 1373 CB GLU A 90 81.598 -2.776 -8.530 1.00 0.00 C ATOM 1374 CG GLU A 90 82.301 -3.687 -9.540 1.00 0.00 C ATOM 1375 CD GLU A 90 81.342 -4.015 -10.685 1.00 0.00 C ATOM 1376 OE1 GLU A 90 80.145 -3.888 -10.484 1.00 0.00 O ATOM 1377 OE2 GLU A 90 81.820 -4.385 -11.744 1.00 0.00 O ATOM 0 H GLU A 90 82.032 -0.807 -6.289 1.00 0.00 H new ATOM 0 HA GLU A 90 83.455 -1.645 -8.717 1.00 0.00 H new ATOM 0 HB2 GLU A 90 81.392 -3.325 -7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 90 80.638 -2.448 -8.927 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.194 -3.197 -9.928 1.00 0.00 H new ATOM 0 HG3 GLU A 90 82.628 -4.605 -9.052 1.00 0.00 H new