USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 538 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 57 SER OG : rot -110:sc= 0.639 USER MOD Set 1.2: A 60 GLN : amide:sc= 0.0404 X(o=0.68,f=0.98) USER MOD Set 2.1: A 20 SER OG : rot -64:sc= 1.24 USER MOD Set 2.2: A 21 GLN : amide:sc= -0.473 X(o=0.77,f=0.59) USER MOD Single : A 15 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000772) USER MOD Single : A 22 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.82) USER MOD Single : A 26 GLN : amide:sc= -0.209 X(o=-0.21,f=0) USER MOD Single : A 28 TYR OH : rot 1:sc= 1.39 USER MOD Single : A 31 GLN : amide:sc= 0.139 X(o=0.14,f=-0.15) USER MOD Single : A 32 LYS NZ :NH3+ 167:sc=-0.00389 (180deg=-0.342) USER MOD Single : A 33 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.39) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -178:sc= 0.998 (180deg=0.932) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 148:sc= -4.09! USER MOD Single : A 47 ASN : amide:sc= 0.94 K(o=0.94,f=-9!) USER MOD Single : A 51 CYS SG : rot 63:sc= -0.87 USER MOD Single : A 53 GLN : amide:sc= 0.0093 K(o=0.0093,f=-2.3) USER MOD Single : A 59 SER OG : rot 180:sc= 0.153 USER MOD Single : A 62 GLN : amide:sc= -0.743 X(o=-0.74,f=-0.77) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 1.1 K(o=1.1,f=-0.89) USER MOD Single : A 70 THR OG1 : rot 170:sc= -0.543 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.199 K(o=-0.2,f=-1.3!) USER MOD Single : A 80 ASN : amide:sc= -0.375 X(o=-0.38,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 270 N LYS A 15 -3.955 -2.204 6.783 1.00 0.00 N ATOM 271 CA LYS A 15 -3.233 -3.340 7.293 1.00 0.00 C ATOM 272 C LYS A 15 -3.983 -4.567 6.804 1.00 0.00 C ATOM 273 O LYS A 15 -5.207 -4.621 6.890 1.00 0.00 O ATOM 274 CB LYS A 15 -3.122 -3.255 8.820 1.00 0.00 C ATOM 275 CG LYS A 15 -4.465 -3.007 9.530 1.00 0.00 C ATOM 276 CD LYS A 15 -4.287 -2.870 11.050 1.00 0.00 C ATOM 277 CE LYS A 15 -3.317 -1.751 11.464 1.00 0.00 C ATOM 278 NZ LYS A 15 -3.683 -0.429 10.913 1.00 0.00 N ATOM 0 HA LYS A 15 -2.204 -3.381 6.937 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.690 -4.183 9.195 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.431 -2.453 9.080 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.924 -2.101 9.134 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.147 -3.830 9.316 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.260 -2.681 11.505 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.926 -3.817 11.451 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.288 -1.688 12.552 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.311 -2.010 11.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.002 0.285 11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.668 -0.470 9.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.637 -0.171 11.236 1.00 0.00 H new ATOM 292 N TRP A 16 -3.234 -5.506 6.250 1.00 0.00 N ATOM 293 CA TRP A 16 -3.723 -6.830 5.953 1.00 0.00 C ATOM 294 C TRP A 16 -3.975 -7.518 7.305 1.00 0.00 C ATOM 295 O TRP A 16 -3.211 -7.273 8.241 1.00 0.00 O ATOM 296 CB TRP A 16 -2.609 -7.538 5.180 1.00 0.00 C ATOM 297 CG TRP A 16 -2.153 -6.971 3.862 1.00 0.00 C ATOM 298 CD1 TRP A 16 -1.424 -5.846 3.671 1.00 0.00 C ATOM 299 CD2 TRP A 16 -2.302 -7.566 2.538 1.00 0.00 C ATOM 300 NE1 TRP A 16 -1.151 -5.685 2.326 1.00 0.00 N ATOM 301 CE2 TRP A 16 -1.665 -6.722 1.586 1.00 0.00 C ATOM 302 CE3 TRP A 16 -2.900 -8.740 2.042 1.00 0.00 C ATOM 303 CZ2 TRP A 16 -1.648 -7.011 0.218 1.00 0.00 C ATOM 304 CZ3 TRP A 16 -2.817 -9.082 0.679 1.00 0.00 C ATOM 305 CH2 TRP A 16 -2.234 -8.198 -0.242 1.00 0.00 C ATOM 0 H TRP A 16 -2.257 -5.362 5.993 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.640 -6.838 5.364 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -1.738 -7.590 5.834 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.934 -8.563 5.001 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -1.104 -5.174 4.454 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -0.635 -4.898 1.933 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -3.432 -9.391 2.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -1.187 -6.326 -0.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.205 -10.031 0.340 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.237 -8.431 -1.297 1.00 0.00 H new ATOM 316 N GLY A 17 -5.019 -8.335 7.450 1.00 0.00 N ATOM 317 CA GLY A 17 -5.212 -9.085 8.684 1.00 0.00 C ATOM 318 C GLY A 17 -4.242 -10.269 8.733 1.00 0.00 C ATOM 319 O GLY A 17 -3.598 -10.590 7.735 1.00 0.00 O ATOM 0 H GLY A 17 -5.732 -8.491 6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.049 -8.435 9.544 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.240 -9.443 8.745 1.00 0.00 H new ATOM 323 N PRO A 18 -4.104 -10.933 9.886 1.00 0.00 N ATOM 324 CA PRO A 18 -3.037 -11.892 10.127 1.00 0.00 C ATOM 325 C PRO A 18 -2.950 -13.076 9.162 1.00 0.00 C ATOM 326 O PRO A 18 -1.859 -13.587 8.933 1.00 0.00 O ATOM 327 CB PRO A 18 -3.193 -12.340 11.587 1.00 0.00 C ATOM 328 CG PRO A 18 -4.600 -11.884 11.984 1.00 0.00 C ATOM 329 CD PRO A 18 -4.810 -10.645 11.119 1.00 0.00 C ATOM 0 HA PRO A 18 -2.086 -11.395 9.938 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.085 -13.420 11.684 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.435 -11.885 12.224 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.347 -12.651 11.780 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.665 -11.651 13.047 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.869 -10.465 10.936 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.414 -9.752 11.603 1.00 0.00 H new ATOM 337 N ALA A 19 -4.068 -13.540 8.609 1.00 0.00 N ATOM 338 CA ALA A 19 -4.073 -14.815 7.893 1.00 0.00 C ATOM 339 C ALA A 19 -3.446 -14.604 6.529 1.00 0.00 C ATOM 340 O ALA A 19 -2.610 -15.374 6.074 1.00 0.00 O ATOM 341 CB ALA A 19 -5.496 -15.357 7.752 1.00 0.00 C ATOM 0 H ALA A 19 -4.969 -13.062 8.641 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.498 -15.550 8.456 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.473 -16.306 7.216 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.927 -15.510 8.742 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.104 -14.642 7.198 1.00 0.00 H new ATOM 347 N SER A 20 -3.855 -13.517 5.887 1.00 0.00 N ATOM 348 CA SER A 20 -3.464 -13.181 4.538 1.00 0.00 C ATOM 349 C SER A 20 -1.947 -13.202 4.337 1.00 0.00 C ATOM 350 O SER A 20 -1.461 -13.454 3.237 1.00 0.00 O ATOM 351 CB SER A 20 -4.023 -11.800 4.253 1.00 0.00 C ATOM 352 OG SER A 20 -3.384 -10.845 5.071 1.00 0.00 O ATOM 0 H SER A 20 -4.483 -12.832 6.307 1.00 0.00 H new ATOM 0 HA SER A 20 -3.859 -13.926 3.848 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.876 -11.548 3.203 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.097 -11.788 4.436 1.00 0.00 H new ATOM 0 HG SER A 20 -3.595 -11.025 6.011 1.00 0.00 H new ATOM 358 N GLN A 21 -1.190 -12.914 5.396 1.00 0.00 N ATOM 359 CA GLN A 21 0.258 -12.897 5.340 1.00 0.00 C ATOM 360 C GLN A 21 0.784 -14.253 4.861 1.00 0.00 C ATOM 361 O GLN A 21 1.727 -14.302 4.081 1.00 0.00 O ATOM 362 CB GLN A 21 0.831 -12.471 6.698 1.00 0.00 C ATOM 363 CG GLN A 21 0.220 -11.160 7.226 1.00 0.00 C ATOM 364 CD GLN A 21 0.310 -10.016 6.218 1.00 0.00 C ATOM 365 OE1 GLN A 21 1.252 -9.229 6.238 1.00 0.00 O ATOM 366 NE2 GLN A 21 -0.660 -9.892 5.321 1.00 0.00 N ATOM 0 H GLN A 21 -1.571 -12.687 6.314 1.00 0.00 H new ATOM 0 HA GLN A 21 0.594 -12.159 4.612 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.657 -13.265 7.424 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.911 -12.352 6.609 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.825 -11.330 7.483 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.731 -10.870 8.144 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.437 -10.553 5.315 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.629 -9.136 4.637 1.00 0.00 H new ATOM 375 N GLN A 22 0.127 -15.345 5.251 1.00 0.00 N ATOM 376 CA GLN A 22 0.422 -16.674 4.741 1.00 0.00 C ATOM 377 C GLN A 22 0.419 -16.663 3.207 1.00 0.00 C ATOM 378 O GLN A 22 1.336 -17.174 2.569 1.00 0.00 O ATOM 379 CB GLN A 22 -0.610 -17.648 5.333 1.00 0.00 C ATOM 380 CG GLN A 22 -0.492 -19.103 4.874 1.00 0.00 C ATOM 381 CD GLN A 22 0.895 -19.699 5.104 1.00 0.00 C ATOM 382 OE1 GLN A 22 1.623 -19.282 5.997 1.00 0.00 O ATOM 383 NE2 GLN A 22 1.285 -20.675 4.294 1.00 0.00 N ATOM 0 H GLN A 22 -0.630 -15.327 5.935 1.00 0.00 H new ATOM 0 HA GLN A 22 1.417 -17.001 5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.525 -17.621 6.419 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.608 -17.287 5.082 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.231 -19.705 5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.734 -19.163 3.813 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.662 -21.006 3.557 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.208 -21.094 4.408 1.00 0.00 H new ATOM 392 N ILE A 23 -0.608 -16.062 2.610 1.00 0.00 N ATOM 393 CA ILE A 23 -0.756 -15.979 1.168 1.00 0.00 C ATOM 394 C ILE A 23 0.290 -15.030 0.585 1.00 0.00 C ATOM 395 O ILE A 23 0.832 -15.292 -0.486 1.00 0.00 O ATOM 396 CB ILE A 23 -2.210 -15.622 0.802 1.00 0.00 C ATOM 397 CG1 ILE A 23 -3.137 -16.777 1.222 1.00 0.00 C ATOM 398 CG2 ILE A 23 -2.397 -15.368 -0.700 1.00 0.00 C ATOM 399 CD1 ILE A 23 -3.804 -16.551 2.572 1.00 0.00 C ATOM 0 H ILE A 23 -1.367 -15.615 3.125 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.565 -16.950 0.711 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.457 -14.701 1.330 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.907 -16.911 0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.561 -17.702 1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.440 -15.121 -0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.761 -14.539 -1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.123 -16.264 -1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.444 -17.401 2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.040 -16.446 3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.407 -15.644 2.533 1.00 0.00 H new ATOM 411 N LEU A 24 0.621 -13.942 1.281 1.00 0.00 N ATOM 412 CA LEU A 24 1.702 -13.081 0.823 1.00 0.00 C ATOM 413 C LEU A 24 2.975 -13.927 0.692 1.00 0.00 C ATOM 414 O LEU A 24 3.619 -13.938 -0.360 1.00 0.00 O ATOM 415 CB LEU A 24 1.908 -11.896 1.782 1.00 0.00 C ATOM 416 CG LEU A 24 0.806 -10.825 1.685 1.00 0.00 C ATOM 417 CD1 LEU A 24 1.187 -9.587 2.498 1.00 0.00 C ATOM 418 CD2 LEU A 24 0.557 -10.389 0.243 1.00 0.00 C ATOM 0 H LEU A 24 0.166 -13.644 2.144 1.00 0.00 H new ATOM 0 HA LEU A 24 1.450 -12.656 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.950 -12.270 2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.872 -11.433 1.572 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.103 -11.278 2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.396 -8.841 2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.319 -9.865 3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.118 -9.171 2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.228 -9.633 0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.474 -9.972 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.247 -11.250 -0.349 1.00 0.00 H new ATOM 430 N PHE A 25 3.325 -14.660 1.747 1.00 0.00 N ATOM 431 CA PHE A 25 4.503 -15.510 1.765 1.00 0.00 C ATOM 432 C PHE A 25 4.448 -16.571 0.665 1.00 0.00 C ATOM 433 O PHE A 25 5.439 -16.741 -0.044 1.00 0.00 O ATOM 434 CB PHE A 25 4.710 -16.117 3.160 1.00 0.00 C ATOM 435 CG PHE A 25 4.818 -15.110 4.299 1.00 0.00 C ATOM 436 CD1 PHE A 25 5.564 -13.923 4.149 1.00 0.00 C ATOM 437 CD2 PHE A 25 4.184 -15.375 5.528 1.00 0.00 C ATOM 438 CE1 PHE A 25 5.610 -12.979 5.189 1.00 0.00 C ATOM 439 CE2 PHE A 25 4.226 -14.429 6.566 1.00 0.00 C ATOM 440 CZ PHE A 25 4.929 -13.224 6.394 1.00 0.00 C ATOM 0 H PHE A 25 2.793 -14.678 2.617 1.00 0.00 H new ATOM 0 HA PHE A 25 5.375 -14.893 1.548 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.881 -16.792 3.371 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.617 -16.722 3.144 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.102 -13.739 3.231 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.663 -16.310 5.673 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.169 -12.064 5.062 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.717 -14.628 7.498 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.946 -12.489 7.185 1.00 0.00 H new ATOM 450 N GLN A 26 3.306 -17.247 0.489 1.00 0.00 N ATOM 451 CA GLN A 26 3.177 -18.362 -0.453 1.00 0.00 C ATOM 452 C GLN A 26 3.530 -17.964 -1.890 1.00 0.00 C ATOM 453 O GLN A 26 3.684 -18.838 -2.740 1.00 0.00 O ATOM 454 CB GLN A 26 1.787 -19.040 -0.360 1.00 0.00 C ATOM 455 CG GLN A 26 0.763 -18.548 -1.395 1.00 0.00 C ATOM 456 CD GLN A 26 -0.510 -19.386 -1.436 1.00 0.00 C ATOM 457 OE1 GLN A 26 -0.811 -19.996 -2.454 1.00 0.00 O ATOM 458 NE2 GLN A 26 -1.272 -19.426 -0.352 1.00 0.00 N ATOM 0 H GLN A 26 2.447 -17.035 0.996 1.00 0.00 H new ATOM 0 HA GLN A 26 3.915 -19.106 -0.153 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.914 -20.116 -0.478 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.383 -18.874 0.639 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.501 -17.514 -1.172 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.225 -18.554 -2.382 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.998 -18.908 0.483 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.132 -19.974 -0.353 1.00 0.00 H new ATOM 467 N ALA A 27 3.584 -16.669 -2.206 1.00 0.00 N ATOM 468 CA ALA A 27 4.075 -16.187 -3.486 1.00 0.00 C ATOM 469 C ALA A 27 5.450 -15.552 -3.315 1.00 0.00 C ATOM 470 O ALA A 27 6.340 -15.859 -4.105 1.00 0.00 O ATOM 471 CB ALA A 27 3.082 -15.171 -4.045 1.00 0.00 C ATOM 0 H ALA A 27 3.286 -15.926 -1.574 1.00 0.00 H new ATOM 0 HA ALA A 27 4.171 -17.020 -4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.441 -14.802 -5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.111 -15.647 -4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.985 -14.337 -3.350 1.00 0.00 H new ATOM 477 N TYR A 28 5.626 -14.688 -2.306 1.00 0.00 N ATOM 478 CA TYR A 28 6.875 -13.970 -2.047 1.00 0.00 C ATOM 479 C TYR A 28 8.081 -14.910 -2.043 1.00 0.00 C ATOM 480 O TYR A 28 9.167 -14.520 -2.462 1.00 0.00 O ATOM 481 CB TYR A 28 6.789 -13.212 -0.717 1.00 0.00 C ATOM 482 CG TYR A 28 7.896 -12.197 -0.499 1.00 0.00 C ATOM 483 CD1 TYR A 28 7.973 -11.051 -1.313 1.00 0.00 C ATOM 484 CD2 TYR A 28 8.882 -12.423 0.479 1.00 0.00 C ATOM 485 CE1 TYR A 28 9.083 -10.193 -1.224 1.00 0.00 C ATOM 486 CE2 TYR A 28 9.968 -11.540 0.598 1.00 0.00 C ATOM 487 CZ TYR A 28 10.095 -10.463 -0.291 1.00 0.00 C ATOM 488 OH TYR A 28 11.174 -9.636 -0.184 1.00 0.00 O ATOM 0 H TYR A 28 4.889 -14.467 -1.636 1.00 0.00 H new ATOM 0 HA TYR A 28 7.016 -13.255 -2.858 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.828 -12.700 -0.667 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.809 -13.933 0.100 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.177 -10.830 -2.008 1.00 0.00 H new ATOM 0 HD2 TYR A 28 8.804 -13.275 1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.156 -9.331 -1.870 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.704 -11.690 1.373 1.00 0.00 H new ATOM 0 HH TYR A 28 11.086 -8.899 -0.824 1.00 0.00 H new ATOM 498 N GLU A 29 7.871 -16.133 -1.560 1.00 0.00 N ATOM 499 CA GLU A 29 8.749 -17.273 -1.748 1.00 0.00 C ATOM 500 C GLU A 29 9.423 -17.232 -3.130 1.00 0.00 C ATOM 501 O GLU A 29 10.638 -17.070 -3.246 1.00 0.00 O ATOM 502 CB GLU A 29 7.840 -18.500 -1.585 1.00 0.00 C ATOM 503 CG GLU A 29 8.518 -19.845 -1.823 1.00 0.00 C ATOM 504 CD GLU A 29 7.468 -20.933 -1.894 1.00 0.00 C ATOM 505 OE1 GLU A 29 6.476 -20.845 -1.148 1.00 0.00 O ATOM 506 OE2 GLU A 29 7.508 -21.718 -2.862 1.00 0.00 O ATOM 0 H GLU A 29 7.047 -16.360 -1.004 1.00 0.00 H new ATOM 0 HA GLU A 29 9.570 -17.287 -1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.425 -18.494 -0.577 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.002 -18.406 -2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.091 -19.817 -2.750 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.223 -20.057 -1.019 1.00 0.00 H new ATOM 513 N ARG A 30 8.618 -17.387 -4.178 1.00 0.00 N ATOM 514 CA ARG A 30 9.068 -17.469 -5.553 1.00 0.00 C ATOM 515 C ARG A 30 9.131 -16.069 -6.165 1.00 0.00 C ATOM 516 O ARG A 30 10.187 -15.561 -6.556 1.00 0.00 O ATOM 517 CB ARG A 30 8.061 -18.317 -6.349 1.00 0.00 C ATOM 518 CG ARG A 30 8.331 -19.817 -6.232 1.00 0.00 C ATOM 519 CD ARG A 30 7.025 -20.595 -6.444 1.00 0.00 C ATOM 520 NE ARG A 30 6.413 -20.876 -5.137 1.00 0.00 N ATOM 521 CZ ARG A 30 5.200 -20.603 -4.651 1.00 0.00 C ATOM 522 NH1 ARG A 30 4.328 -19.871 -5.349 1.00 0.00 N ATOM 523 NH2 ARG A 30 4.886 -21.055 -3.442 1.00 0.00 N ATOM 0 H ARG A 30 7.605 -17.461 -4.084 1.00 0.00 H new ATOM 0 HA ARG A 30 10.059 -17.921 -5.587 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.053 -18.105 -5.994 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.097 -18.026 -7.399 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.072 -20.122 -6.971 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.747 -20.046 -5.251 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.339 -20.017 -7.063 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.224 -21.527 -6.974 1.00 0.00 H new ATOM 0 HE ARG A 30 7.025 -21.367 -4.485 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.585 -19.511 -6.268 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.405 -19.672 -4.963 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.565 -21.597 -2.908 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.966 -20.860 -3.048 1.00 0.00 H new ATOM 537 N GLN A 31 7.948 -15.490 -6.341 1.00 0.00 N ATOM 538 CA GLN A 31 7.707 -14.305 -7.132 1.00 0.00 C ATOM 539 C GLN A 31 7.732 -13.115 -6.183 1.00 0.00 C ATOM 540 O GLN A 31 6.837 -12.936 -5.362 1.00 0.00 O ATOM 541 CB GLN A 31 6.378 -14.455 -7.889 1.00 0.00 C ATOM 542 CG GLN A 31 6.544 -15.438 -9.060 1.00 0.00 C ATOM 543 CD GLN A 31 5.260 -16.133 -9.512 1.00 0.00 C ATOM 544 OE1 GLN A 31 5.148 -17.348 -9.384 1.00 0.00 O ATOM 545 NE2 GLN A 31 4.303 -15.416 -10.088 1.00 0.00 N ATOM 0 H GLN A 31 7.097 -15.856 -5.914 1.00 0.00 H new ATOM 0 HA GLN A 31 8.472 -14.152 -7.893 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.603 -14.813 -7.211 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.052 -13.484 -8.262 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.965 -14.899 -9.909 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.269 -16.200 -8.774 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.411 -14.407 -10.187 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.459 -15.874 -10.432 1.00 0.00 H new ATOM 554 N LYS A 32 8.806 -12.328 -6.271 1.00 0.00 N ATOM 555 CA LYS A 32 8.939 -11.074 -5.554 1.00 0.00 C ATOM 556 C LYS A 32 8.751 -9.887 -6.502 1.00 0.00 C ATOM 557 O LYS A 32 8.980 -8.749 -6.086 1.00 0.00 O ATOM 558 CB LYS A 32 10.295 -11.038 -4.829 1.00 0.00 C ATOM 559 CG LYS A 32 10.369 -12.204 -3.830 1.00 0.00 C ATOM 560 CD LYS A 32 11.519 -12.120 -2.814 1.00 0.00 C ATOM 561 CE LYS A 32 12.811 -12.799 -3.280 1.00 0.00 C ATOM 562 NZ LYS A 32 13.349 -12.205 -4.515 1.00 0.00 N ATOM 0 H LYS A 32 9.614 -12.553 -6.852 1.00 0.00 H new ATOM 0 HA LYS A 32 8.156 -10.997 -4.800 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.108 -11.111 -5.551 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.416 -10.089 -4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.426 -12.255 -3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.466 -13.135 -4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.727 -11.071 -2.602 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.198 -12.577 -1.878 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.560 -12.728 -2.491 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.621 -13.860 -3.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.321 -12.542 -4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.755 -12.485 -5.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.351 -11.169 -4.429 1.00 0.00 H new ATOM 576 N ASN A 33 8.409 -10.107 -7.776 1.00 0.00 N ATOM 577 CA ASN A 33 7.800 -9.109 -8.622 1.00 0.00 C ATOM 578 C ASN A 33 6.494 -9.694 -9.163 1.00 0.00 C ATOM 579 O ASN A 33 6.521 -10.831 -9.634 1.00 0.00 O ATOM 580 CB ASN A 33 8.735 -8.696 -9.748 1.00 0.00 C ATOM 581 CG ASN A 33 8.847 -9.673 -10.915 1.00 0.00 C ATOM 582 OD1 ASN A 33 7.999 -9.698 -11.806 1.00 0.00 O ATOM 583 ND2 ASN A 33 9.926 -10.438 -10.984 1.00 0.00 N ATOM 0 H ASN A 33 8.555 -11.002 -8.243 1.00 0.00 H new ATOM 0 HA ASN A 33 7.594 -8.205 -8.050 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.402 -7.734 -10.136 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.730 -8.544 -9.330 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.062 -11.058 -11.783 1.00 0.00 H new ATOM 0 HD22 ASN A 33 10.621 -10.407 -10.238 1.00 0.00 H new ATOM 590 N PRO A 34 5.373 -8.963 -9.059 1.00 0.00 N ATOM 591 CA PRO A 34 4.053 -9.529 -9.258 1.00 0.00 C ATOM 592 C PRO A 34 3.779 -9.820 -10.733 1.00 0.00 C ATOM 593 O PRO A 34 3.379 -8.919 -11.472 1.00 0.00 O ATOM 594 CB PRO A 34 3.084 -8.521 -8.640 1.00 0.00 C ATOM 595 CG PRO A 34 3.838 -7.196 -8.625 1.00 0.00 C ATOM 596 CD PRO A 34 5.274 -7.662 -8.417 1.00 0.00 C ATOM 0 HA PRO A 34 3.943 -10.502 -8.778 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.168 -8.446 -9.226 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.794 -8.820 -7.633 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.717 -6.645 -9.558 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.499 -6.541 -7.822 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.980 -6.957 -8.855 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.511 -7.732 -7.355 1.00 0.00 H new ATOM 604 N SER A 35 3.973 -11.065 -11.160 1.00 0.00 N ATOM 605 CA SER A 35 4.052 -11.482 -12.548 1.00 0.00 C ATOM 606 C SER A 35 2.726 -11.166 -13.249 1.00 0.00 C ATOM 607 O SER A 35 2.624 -10.156 -13.950 1.00 0.00 O ATOM 608 CB SER A 35 4.490 -12.961 -12.606 1.00 0.00 C ATOM 609 OG SER A 35 5.461 -13.159 -13.614 1.00 0.00 O ATOM 0 H SER A 35 4.084 -11.845 -10.512 1.00 0.00 H new ATOM 0 HA SER A 35 4.811 -10.927 -13.099 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.895 -13.263 -11.640 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.624 -13.594 -12.800 1.00 0.00 H new ATOM 0 HG SER A 35 5.726 -14.102 -13.632 1.00 0.00 H new ATOM 615 N LYS A 36 1.677 -11.950 -12.992 1.00 0.00 N ATOM 616 CA LYS A 36 0.312 -11.566 -13.317 1.00 0.00 C ATOM 617 C LYS A 36 -0.675 -12.383 -12.503 1.00 0.00 C ATOM 618 O LYS A 36 -1.265 -11.840 -11.578 1.00 0.00 O ATOM 619 CB LYS A 36 -0.012 -11.638 -14.817 1.00 0.00 C ATOM 620 CG LYS A 36 -1.285 -10.793 -15.027 1.00 0.00 C ATOM 621 CD LYS A 36 -2.009 -10.888 -16.376 1.00 0.00 C ATOM 622 CE LYS A 36 -2.963 -12.091 -16.456 1.00 0.00 C ATOM 623 NZ LYS A 36 -2.345 -13.267 -17.086 1.00 0.00 N ATOM 0 H LYS A 36 1.755 -12.867 -12.553 1.00 0.00 H new ATOM 0 HA LYS A 36 0.216 -10.514 -13.048 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.815 -11.250 -15.412 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.174 -12.669 -15.131 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.997 -11.066 -14.248 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.020 -9.748 -14.865 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.573 -9.971 -16.546 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.271 -10.961 -17.175 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.293 -12.354 -15.451 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.852 -11.807 -17.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.042 -14.036 -17.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.022 -13.019 -18.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.532 -13.579 -16.517 1.00 0.00 H new ATOM 637 N GLU A 37 -0.849 -13.656 -12.852 1.00 0.00 N ATOM 638 CA GLU A 37 -1.894 -14.525 -12.374 1.00 0.00 C ATOM 639 C GLU A 37 -1.840 -14.479 -10.848 1.00 0.00 C ATOM 640 O GLU A 37 -2.841 -14.230 -10.183 1.00 0.00 O ATOM 641 CB GLU A 37 -1.506 -15.910 -12.918 1.00 0.00 C ATOM 642 CG GLU A 37 -2.518 -16.377 -13.964 1.00 0.00 C ATOM 643 CD GLU A 37 -2.368 -15.521 -15.210 1.00 0.00 C ATOM 644 OE1 GLU A 37 -1.287 -14.906 -15.387 1.00 0.00 O ATOM 645 OE2 GLU A 37 -3.343 -15.377 -15.975 1.00 0.00 O ATOM 0 H GLU A 37 -0.226 -14.123 -13.511 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.904 -14.258 -12.686 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.511 -15.868 -13.360 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.461 -16.629 -12.100 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.353 -17.427 -14.206 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.531 -16.296 -13.571 1.00 0.00 H new ATOM 652 N GLU A 38 -0.607 -14.618 -10.349 1.00 0.00 N ATOM 653 CA GLU A 38 -0.150 -14.310 -9.009 1.00 0.00 C ATOM 654 C GLU A 38 -1.033 -13.267 -8.331 1.00 0.00 C ATOM 655 O GLU A 38 -1.636 -13.550 -7.308 1.00 0.00 O ATOM 656 CB GLU A 38 1.295 -13.817 -9.150 1.00 0.00 C ATOM 657 CG GLU A 38 1.974 -13.441 -7.831 1.00 0.00 C ATOM 658 CD GLU A 38 3.360 -12.882 -8.064 1.00 0.00 C ATOM 659 OE1 GLU A 38 3.802 -12.923 -9.234 1.00 0.00 O ATOM 660 OE2 GLU A 38 3.938 -12.349 -7.100 1.00 0.00 O ATOM 0 H GLU A 38 0.151 -14.979 -10.928 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.204 -15.193 -8.372 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.884 -14.594 -9.637 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.306 -12.949 -9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.367 -12.705 -7.304 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.037 -14.320 -7.189 1.00 0.00 H new ATOM 667 N ARG A 39 -1.096 -12.055 -8.874 1.00 0.00 N ATOM 668 CA ARG A 39 -1.813 -10.963 -8.246 1.00 0.00 C ATOM 669 C ARG A 39 -3.290 -11.293 -8.077 1.00 0.00 C ATOM 670 O ARG A 39 -3.836 -11.117 -6.991 1.00 0.00 O ATOM 671 CB ARG A 39 -1.683 -9.680 -9.075 1.00 0.00 C ATOM 672 CG ARG A 39 -0.274 -9.089 -9.047 1.00 0.00 C ATOM 673 CD ARG A 39 -0.184 -7.871 -9.988 1.00 0.00 C ATOM 674 NE ARG A 39 0.511 -8.201 -11.249 1.00 0.00 N ATOM 675 CZ ARG A 39 0.273 -7.627 -12.442 1.00 0.00 C ATOM 676 NH1 ARG A 39 -0.525 -6.568 -12.531 1.00 0.00 N ATOM 677 NH2 ARG A 39 0.827 -8.116 -13.553 1.00 0.00 N ATOM 0 H ARG A 39 -0.652 -11.808 -9.758 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.368 -10.811 -7.263 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.961 -9.892 -10.107 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.389 -8.939 -8.700 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.018 -8.791 -8.030 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.451 -9.845 -9.350 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.188 -7.509 -10.210 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.343 -7.061 -9.484 1.00 0.00 H new ATOM 0 HE ARG A 39 1.230 -8.923 -11.212 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.961 -6.186 -11.692 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.701 -6.137 -13.439 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.437 -8.932 -13.502 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.641 -7.674 -14.453 1.00 0.00 H new ATOM 691 N GLU A 40 -3.930 -11.719 -9.164 1.00 0.00 N ATOM 692 CA GLU A 40 -5.358 -11.989 -9.187 1.00 0.00 C ATOM 693 C GLU A 40 -5.642 -13.025 -8.084 1.00 0.00 C ATOM 694 O GLU A 40 -6.431 -12.784 -7.169 1.00 0.00 O ATOM 695 CB GLU A 40 -5.760 -12.462 -10.593 1.00 0.00 C ATOM 696 CG GLU A 40 -6.679 -11.473 -11.331 1.00 0.00 C ATOM 697 CD GLU A 40 -5.926 -10.251 -11.826 1.00 0.00 C ATOM 698 OE1 GLU A 40 -5.154 -10.376 -12.800 1.00 0.00 O ATOM 699 OE2 GLU A 40 -6.126 -9.165 -11.244 1.00 0.00 O ATOM 0 H GLU A 40 -3.466 -11.886 -10.057 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.957 -11.101 -8.983 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.859 -12.621 -11.186 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.264 -13.425 -10.514 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.147 -11.977 -12.177 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.481 -11.158 -10.664 1.00 0.00 H new ATOM 706 N THR A 41 -4.909 -14.136 -8.152 1.00 0.00 N ATOM 707 CA THR A 41 -4.844 -15.182 -7.145 1.00 0.00 C ATOM 708 C THR A 41 -4.725 -14.579 -5.745 1.00 0.00 C ATOM 709 O THR A 41 -5.539 -14.864 -4.874 1.00 0.00 O ATOM 710 CB THR A 41 -3.659 -16.112 -7.500 1.00 0.00 C ATOM 711 OG1 THR A 41 -4.115 -17.220 -8.250 1.00 0.00 O ATOM 712 CG2 THR A 41 -2.786 -16.586 -6.335 1.00 0.00 C ATOM 0 H THR A 41 -4.315 -14.336 -8.956 1.00 0.00 H new ATOM 0 HA THR A 41 -5.761 -15.771 -7.137 1.00 0.00 H new ATOM 0 HB THR A 41 -2.995 -15.480 -8.090 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.357 -17.800 -8.470 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.992 -17.230 -6.714 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.346 -15.723 -5.835 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.398 -17.143 -5.625 1.00 0.00 H new ATOM 720 N LEU A 42 -3.694 -13.771 -5.516 1.00 0.00 N ATOM 721 CA LEU A 42 -3.329 -13.290 -4.200 1.00 0.00 C ATOM 722 C LEU A 42 -4.486 -12.500 -3.632 1.00 0.00 C ATOM 723 O LEU A 42 -4.845 -12.689 -2.478 1.00 0.00 O ATOM 724 CB LEU A 42 -2.072 -12.407 -4.268 1.00 0.00 C ATOM 725 CG LEU A 42 -0.797 -13.138 -3.813 1.00 0.00 C ATOM 726 CD1 LEU A 42 0.320 -13.005 -4.847 1.00 0.00 C ATOM 727 CD2 LEU A 42 -0.298 -12.541 -2.497 1.00 0.00 C ATOM 0 H LEU A 42 -3.082 -13.430 -6.257 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.106 -14.142 -3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.937 -12.055 -5.291 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.220 -11.525 -3.645 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.050 -14.191 -3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.206 -13.533 -4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.007 -13.436 -5.793 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.558 -11.951 -4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.605 -13.063 -2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.075 -11.483 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.068 -12.651 -1.733 1.00 0.00 H new ATOM 739 N VAL A 43 -5.044 -11.582 -4.415 1.00 0.00 N ATOM 740 CA VAL A 43 -6.133 -10.770 -3.925 1.00 0.00 C ATOM 741 C VAL A 43 -7.322 -11.659 -3.548 1.00 0.00 C ATOM 742 O VAL A 43 -7.899 -11.472 -2.481 1.00 0.00 O ATOM 743 CB VAL A 43 -6.500 -9.678 -4.937 1.00 0.00 C ATOM 744 CG1 VAL A 43 -7.659 -8.889 -4.334 1.00 0.00 C ATOM 745 CG2 VAL A 43 -5.341 -8.700 -5.177 1.00 0.00 C ATOM 0 H VAL A 43 -4.760 -11.389 -5.376 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.818 -10.252 -3.019 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.749 -10.146 -5.889 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.956 -8.097 -5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.503 -9.557 -4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.346 -8.449 -3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.647 -7.944 -5.901 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.073 -8.216 -4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.479 -9.245 -5.563 1.00 0.00 H new ATOM 755 N GLU A 44 -7.691 -12.602 -4.411 1.00 0.00 N ATOM 756 CA GLU A 44 -8.793 -13.517 -4.155 1.00 0.00 C ATOM 757 C GLU A 44 -8.525 -14.330 -2.886 1.00 0.00 C ATOM 758 O GLU A 44 -9.226 -14.169 -1.893 1.00 0.00 O ATOM 759 CB GLU A 44 -9.002 -14.376 -5.414 1.00 0.00 C ATOM 760 CG GLU A 44 -9.782 -15.682 -5.214 1.00 0.00 C ATOM 761 CD GLU A 44 -11.098 -15.503 -4.472 1.00 0.00 C ATOM 762 OE1 GLU A 44 -11.665 -14.396 -4.547 1.00 0.00 O ATOM 763 OE2 GLU A 44 -11.503 -16.504 -3.840 1.00 0.00 O ATOM 0 H GLU A 44 -7.231 -12.751 -5.309 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.722 -12.980 -3.962 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.524 -13.774 -6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.024 -14.620 -5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.983 -16.127 -6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.158 -16.386 -4.664 1.00 0.00 H new ATOM 770 N GLU A 45 -7.499 -15.180 -2.893 1.00 0.00 N ATOM 771 CA GLU A 45 -7.169 -16.034 -1.757 1.00 0.00 C ATOM 772 C GLU A 45 -7.044 -15.193 -0.481 1.00 0.00 C ATOM 773 O GLU A 45 -7.567 -15.543 0.573 1.00 0.00 O ATOM 774 CB GLU A 45 -5.897 -16.845 -2.049 1.00 0.00 C ATOM 775 CG GLU A 45 -6.164 -18.353 -2.139 1.00 0.00 C ATOM 776 CD GLU A 45 -6.507 -18.940 -0.778 1.00 0.00 C ATOM 777 OE1 GLU A 45 -5.631 -18.866 0.106 1.00 0.00 O ATOM 778 OE2 GLU A 45 -7.642 -19.450 -0.657 1.00 0.00 O ATOM 0 H GLU A 45 -6.873 -15.295 -3.690 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.975 -16.749 -1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.459 -16.501 -2.986 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.163 -16.656 -1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.984 -18.538 -2.833 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.285 -18.856 -2.542 1.00 0.00 H new ATOM 785 N CYS A 46 -6.391 -14.036 -0.583 1.00 0.00 N ATOM 786 CA CYS A 46 -6.315 -13.099 0.529 1.00 0.00 C ATOM 787 C CYS A 46 -7.708 -12.744 1.042 1.00 0.00 C ATOM 788 O CYS A 46 -7.976 -12.832 2.235 1.00 0.00 O ATOM 789 CB CYS A 46 -5.661 -11.783 0.115 1.00 0.00 C ATOM 790 SG CYS A 46 -5.777 -10.704 1.550 1.00 0.00 S ATOM 0 H CYS A 46 -5.908 -13.728 -1.427 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.724 -13.596 1.299 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.622 -11.937 -0.175 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.170 -11.347 -0.744 1.00 0.00 H new ATOM 0 HG CYS A 46 -4.750 -9.907 1.578 1.00 0.00 H new ATOM 796 N ASN A 47 -8.568 -12.276 0.141 1.00 0.00 N ATOM 797 CA ASN A 47 -9.906 -11.804 0.457 1.00 0.00 C ATOM 798 C ASN A 47 -10.686 -12.920 1.129 1.00 0.00 C ATOM 799 O ASN A 47 -11.289 -12.723 2.181 1.00 0.00 O ATOM 800 CB ASN A 47 -10.605 -11.319 -0.828 1.00 0.00 C ATOM 801 CG ASN A 47 -10.267 -9.869 -1.154 1.00 0.00 C ATOM 802 OD1 ASN A 47 -9.882 -9.090 -0.286 1.00 0.00 O ATOM 803 ND2 ASN A 47 -10.413 -9.460 -2.408 1.00 0.00 N ATOM 0 H ASN A 47 -8.345 -12.215 -0.852 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.853 -10.961 1.146 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.310 -11.956 -1.662 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.684 -11.422 -0.714 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.205 -8.493 -2.656 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.733 -10.113 -3.123 1.00 0.00 H new ATOM 810 N ARG A 48 -10.645 -14.102 0.531 1.00 0.00 N ATOM 811 CA ARG A 48 -11.247 -15.317 1.034 1.00 0.00 C ATOM 812 C ARG A 48 -10.783 -15.535 2.477 1.00 0.00 C ATOM 813 O ARG A 48 -11.596 -15.579 3.399 1.00 0.00 O ATOM 814 CB ARG A 48 -10.832 -16.449 0.084 1.00 0.00 C ATOM 815 CG ARG A 48 -11.680 -17.714 0.206 1.00 0.00 C ATOM 816 CD ARG A 48 -11.021 -18.825 -0.621 1.00 0.00 C ATOM 817 NE ARG A 48 -10.870 -18.445 -2.039 1.00 0.00 N ATOM 818 CZ ARG A 48 -10.137 -19.109 -2.944 1.00 0.00 C ATOM 819 NH1 ARG A 48 -9.300 -20.076 -2.571 1.00 0.00 N ATOM 820 NH2 ARG A 48 -10.276 -18.804 -4.232 1.00 0.00 N ATOM 0 H ARG A 48 -10.167 -14.241 -0.360 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.336 -15.273 1.061 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.888 -16.085 -0.942 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.790 -16.704 0.275 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.761 -18.016 1.250 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.693 -17.527 -0.151 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.042 -19.056 -0.202 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.620 -19.733 -0.551 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.363 -17.610 -2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.210 -20.320 -1.585 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.749 -20.572 -3.272 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.932 -18.076 -4.516 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.727 -19.298 -4.935 1.00 0.00 H new ATOM 834 N ALA A 49 -9.471 -15.607 2.689 1.00 0.00 N ATOM 835 CA ALA A 49 -8.877 -15.802 4.000 1.00 0.00 C ATOM 836 C ALA A 49 -9.335 -14.718 4.977 1.00 0.00 C ATOM 837 O ALA A 49 -9.696 -15.019 6.110 1.00 0.00 O ATOM 838 CB ALA A 49 -7.351 -15.830 3.882 1.00 0.00 C ATOM 0 H ALA A 49 -8.784 -15.530 1.939 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.212 -16.760 4.396 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.912 -15.977 4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.052 -16.648 3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.001 -14.885 3.466 1.00 0.00 H new ATOM 844 N GLU A 50 -9.309 -13.453 4.561 1.00 0.00 N ATOM 845 CA GLU A 50 -9.662 -12.305 5.382 1.00 0.00 C ATOM 846 C GLU A 50 -11.145 -12.401 5.765 1.00 0.00 C ATOM 847 O GLU A 50 -11.517 -12.063 6.890 1.00 0.00 O ATOM 848 CB GLU A 50 -9.238 -11.015 4.643 1.00 0.00 C ATOM 849 CG GLU A 50 -9.405 -9.657 5.359 1.00 0.00 C ATOM 850 CD GLU A 50 -8.612 -9.482 6.651 1.00 0.00 C ATOM 851 OE1 GLU A 50 -7.514 -10.061 6.769 1.00 0.00 O ATOM 852 OE2 GLU A 50 -9.128 -8.752 7.533 1.00 0.00 O ATOM 0 H GLU A 50 -9.033 -13.195 3.614 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.125 -12.284 6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.187 -11.119 4.374 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.802 -10.968 3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.115 -8.866 4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.462 -9.514 5.582 1.00 0.00 H new ATOM 859 N CYS A 51 -12.011 -12.873 4.870 1.00 0.00 N ATOM 860 CA CYS A 51 -13.407 -13.112 5.234 1.00 0.00 C ATOM 861 C CYS A 51 -13.529 -14.268 6.227 1.00 0.00 C ATOM 862 O CYS A 51 -14.137 -14.091 7.281 1.00 0.00 O ATOM 863 CB CYS A 51 -14.345 -13.248 4.030 1.00 0.00 C ATOM 864 SG CYS A 51 -14.791 -14.944 3.634 1.00 0.00 S ATOM 0 H CYS A 51 -11.777 -13.095 3.902 1.00 0.00 H new ATOM 0 HA CYS A 51 -13.754 -12.212 5.742 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -15.255 -12.681 4.226 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -13.869 -12.796 3.160 1.00 0.00 H new ATOM 0 HG CYS A 51 -15.450 -15.463 4.627 1.00 0.00 H new ATOM 870 N ILE A 52 -12.852 -15.391 5.967 1.00 0.00 N ATOM 871 CA ILE A 52 -12.946 -16.600 6.776 1.00 0.00 C ATOM 872 C ILE A 52 -12.411 -16.295 8.172 1.00 0.00 C ATOM 873 O ILE A 52 -12.887 -16.833 9.168 1.00 0.00 O ATOM 874 CB ILE A 52 -12.194 -17.757 6.082 1.00 0.00 C ATOM 875 CG1 ILE A 52 -13.018 -18.228 4.867 1.00 0.00 C ATOM 876 CG2 ILE A 52 -11.953 -18.933 7.041 1.00 0.00 C ATOM 877 CD1 ILE A 52 -12.231 -19.143 3.925 1.00 0.00 C ATOM 0 H ILE A 52 -12.215 -15.482 5.176 1.00 0.00 H new ATOM 0 HA ILE A 52 -13.982 -16.922 6.879 1.00 0.00 H new ATOM 0 HB ILE A 52 -11.218 -17.394 5.760 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -13.904 -18.755 5.219 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -13.365 -17.357 4.311 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -11.422 -19.727 6.517 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.356 -18.595 7.888 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -12.910 -19.312 7.400 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -12.867 -19.440 3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -11.359 -18.611 3.545 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.906 -20.031 4.467 1.00 0.00 H new ATOM 889 N GLN A 53 -11.462 -15.367 8.253 1.00 0.00 N ATOM 890 CA GLN A 53 -10.930 -14.839 9.494 1.00 0.00 C ATOM 891 C GLN A 53 -12.046 -14.424 10.464 1.00 0.00 C ATOM 892 O GLN A 53 -11.851 -14.510 11.674 1.00 0.00 O ATOM 893 CB GLN A 53 -10.019 -13.655 9.153 1.00 0.00 C ATOM 894 CG GLN A 53 -8.822 -13.476 10.085 1.00 0.00 C ATOM 895 CD GLN A 53 -8.102 -12.193 9.685 1.00 0.00 C ATOM 896 OE1 GLN A 53 -8.164 -11.200 10.405 1.00 0.00 O ATOM 897 NE2 GLN A 53 -7.505 -12.176 8.498 1.00 0.00 N ATOM 0 H GLN A 53 -11.032 -14.952 7.427 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.360 -15.615 10.005 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.652 -13.779 8.134 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.613 -12.741 9.169 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.152 -13.421 11.122 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.149 -14.330 10.010 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.475 -13.023 7.930 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.077 -11.316 8.155 1.00 0.00 H new ATOM 906 N ARG A 54 -13.181 -13.912 9.964 1.00 0.00 N ATOM 907 CA ARG A 54 -14.377 -13.672 10.758 1.00 0.00 C ATOM 908 C ARG A 54 -15.574 -14.356 10.076 1.00 0.00 C ATOM 909 O ARG A 54 -16.668 -13.797 10.043 1.00 0.00 O ATOM 910 CB ARG A 54 -14.628 -12.162 10.898 1.00 0.00 C ATOM 911 CG ARG A 54 -13.671 -11.370 11.811 1.00 0.00 C ATOM 912 CD ARG A 54 -12.244 -11.122 11.294 1.00 0.00 C ATOM 913 NE ARG A 54 -12.227 -10.805 9.859 1.00 0.00 N ATOM 914 CZ ARG A 54 -11.353 -10.009 9.225 1.00 0.00 C ATOM 915 NH1 ARG A 54 -10.256 -9.550 9.827 1.00 0.00 N ATOM 916 NH2 ARG A 54 -11.577 -9.679 7.959 1.00 0.00 N ATOM 0 H ARG A 54 -13.287 -13.653 8.983 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.244 -14.087 11.757 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.589 -11.719 9.903 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.643 -12.021 11.270 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.127 -10.402 12.018 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.598 -11.898 12.762 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.793 -10.301 11.852 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.633 -12.006 11.478 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.954 -11.234 9.287 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.063 -9.803 10.796 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.610 -8.946 9.319 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.406 -10.030 7.480 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.920 -9.074 7.466 1.00 0.00 H new ATOM 930 N GLY A 55 -15.378 -15.555 9.531 1.00 0.00 N ATOM 931 CA GLY A 55 -16.383 -16.303 8.790 1.00 0.00 C ATOM 932 C GLY A 55 -16.824 -15.605 7.501 1.00 0.00 C ATOM 933 O GLY A 55 -16.428 -16.004 6.409 1.00 0.00 O ATOM 0 H GLY A 55 -14.486 -16.045 9.597 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.986 -17.288 8.545 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.253 -16.460 9.427 1.00 0.00 H new ATOM 937 N VAL A 56 -17.681 -14.591 7.643 1.00 0.00 N ATOM 938 CA VAL A 56 -18.521 -13.994 6.618 1.00 0.00 C ATOM 939 C VAL A 56 -19.230 -15.083 5.799 1.00 0.00 C ATOM 940 O VAL A 56 -19.142 -16.280 6.057 1.00 0.00 O ATOM 941 CB VAL A 56 -17.674 -13.003 5.788 1.00 0.00 C ATOM 942 CG1 VAL A 56 -18.391 -12.194 4.687 1.00 0.00 C ATOM 943 CG2 VAL A 56 -17.072 -11.936 6.706 1.00 0.00 C ATOM 0 H VAL A 56 -17.811 -14.137 8.547 1.00 0.00 H new ATOM 0 HA VAL A 56 -19.329 -13.412 7.062 1.00 0.00 H new ATOM 0 HB VAL A 56 -16.962 -13.670 5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -17.673 -11.542 4.189 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -18.827 -12.878 3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -19.180 -11.590 5.135 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -16.476 -11.241 6.114 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -17.873 -11.392 7.206 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -16.437 -12.414 7.452 1.00 0.00 H new ATOM 953 N SER A 57 -20.000 -14.657 4.811 1.00 0.00 N ATOM 954 CA SER A 57 -20.360 -15.515 3.703 1.00 0.00 C ATOM 955 C SER A 57 -19.031 -15.791 2.983 1.00 0.00 C ATOM 956 O SER A 57 -18.463 -14.827 2.470 1.00 0.00 O ATOM 957 CB SER A 57 -21.276 -14.711 2.782 1.00 0.00 C ATOM 958 OG SER A 57 -22.598 -15.213 2.736 1.00 0.00 O ATOM 0 H SER A 57 -20.388 -13.715 4.757 1.00 0.00 H new ATOM 0 HA SER A 57 -20.863 -16.435 4.002 1.00 0.00 H new ATOM 0 HB2 SER A 57 -21.299 -13.674 3.118 1.00 0.00 H new ATOM 0 HB3 SER A 57 -20.859 -14.711 1.775 1.00 0.00 H new ATOM 0 HG SER A 57 -22.766 -15.612 1.857 1.00 0.00 H new ATOM 964 N PRO A 58 -18.525 -17.029 2.889 1.00 0.00 N ATOM 965 CA PRO A 58 -17.312 -17.287 2.123 1.00 0.00 C ATOM 966 C PRO A 58 -17.471 -16.770 0.691 1.00 0.00 C ATOM 967 O PRO A 58 -16.567 -16.170 0.119 1.00 0.00 O ATOM 968 CB PRO A 58 -17.076 -18.798 2.208 1.00 0.00 C ATOM 969 CG PRO A 58 -18.446 -19.376 2.570 1.00 0.00 C ATOM 970 CD PRO A 58 -19.100 -18.264 3.394 1.00 0.00 C ATOM 0 HA PRO A 58 -16.442 -16.762 2.517 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -16.713 -19.198 1.261 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -16.329 -19.042 2.964 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.030 -19.612 1.680 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.353 -20.298 3.144 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -20.184 -18.271 3.276 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.894 -18.389 4.457 1.00 0.00 H new ATOM 978 N SER A 59 -18.668 -16.940 0.137 1.00 0.00 N ATOM 979 CA SER A 59 -19.059 -16.481 -1.182 1.00 0.00 C ATOM 980 C SER A 59 -19.212 -14.955 -1.296 1.00 0.00 C ATOM 981 O SER A 59 -19.640 -14.481 -2.346 1.00 0.00 O ATOM 982 CB SER A 59 -20.376 -17.199 -1.510 1.00 0.00 C ATOM 983 OG SER A 59 -21.152 -17.359 -0.324 1.00 0.00 O ATOM 0 H SER A 59 -19.423 -17.425 0.622 1.00 0.00 H new ATOM 0 HA SER A 59 -18.270 -16.720 -1.895 1.00 0.00 H new ATOM 0 HB2 SER A 59 -20.938 -16.627 -2.248 1.00 0.00 H new ATOM 0 HB3 SER A 59 -20.168 -18.173 -1.953 1.00 0.00 H new ATOM 0 HG SER A 59 -21.991 -17.816 -0.541 1.00 0.00 H new ATOM 989 N GLN A 60 -18.927 -14.174 -0.248 1.00 0.00 N ATOM 990 CA GLN A 60 -19.046 -12.720 -0.277 1.00 0.00 C ATOM 991 C GLN A 60 -17.815 -12.083 0.365 1.00 0.00 C ATOM 992 O GLN A 60 -17.921 -11.138 1.151 1.00 0.00 O ATOM 993 CB GLN A 60 -20.344 -12.261 0.405 1.00 0.00 C ATOM 994 CG GLN A 60 -21.598 -12.812 -0.290 1.00 0.00 C ATOM 995 CD GLN A 60 -22.863 -12.202 0.304 1.00 0.00 C ATOM 996 OE1 GLN A 60 -23.290 -11.133 -0.115 1.00 0.00 O ATOM 997 NE2 GLN A 60 -23.475 -12.846 1.293 1.00 0.00 N ATOM 0 H GLN A 60 -18.605 -14.540 0.648 1.00 0.00 H new ATOM 0 HA GLN A 60 -19.096 -12.390 -1.315 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -20.338 -12.584 1.446 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -20.383 -11.172 0.409 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -21.552 -12.595 -1.357 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -21.629 -13.897 -0.186 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -23.105 -13.735 1.629 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -24.315 -12.451 1.716 1.00 0.00 H new ATOM 1006 N ALA A 61 -16.626 -12.543 -0.024 1.00 0.00 N ATOM 1007 CA ALA A 61 -15.369 -12.010 0.484 1.00 0.00 C ATOM 1008 C ALA A 61 -15.121 -10.545 0.088 1.00 0.00 C ATOM 1009 O ALA A 61 -14.099 -9.969 0.448 1.00 0.00 O ATOM 1010 CB ALA A 61 -14.214 -12.918 0.059 1.00 0.00 C ATOM 0 H ALA A 61 -16.511 -13.297 -0.701 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.435 -12.002 1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.276 -12.516 0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.371 -13.919 0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.171 -12.967 -1.029 1.00 0.00 H new ATOM 1016 N GLN A 62 -16.052 -9.903 -0.619 1.00 0.00 N ATOM 1017 CA GLN A 62 -16.040 -8.469 -0.860 1.00 0.00 C ATOM 1018 C GLN A 62 -16.371 -7.685 0.417 1.00 0.00 C ATOM 1019 O GLN A 62 -15.986 -6.525 0.549 1.00 0.00 O ATOM 1020 CB GLN A 62 -17.004 -8.126 -2.001 1.00 0.00 C ATOM 1021 CG GLN A 62 -16.393 -8.388 -3.388 1.00 0.00 C ATOM 1022 CD GLN A 62 -15.702 -9.745 -3.474 1.00 0.00 C ATOM 1023 OE1 GLN A 62 -16.362 -10.775 -3.499 1.00 0.00 O ATOM 1024 NE2 GLN A 62 -14.373 -9.756 -3.454 1.00 0.00 N ATOM 0 H GLN A 62 -16.847 -10.378 -1.046 1.00 0.00 H new ATOM 0 HA GLN A 62 -15.035 -8.173 -1.159 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -17.915 -8.715 -1.892 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -17.291 -7.077 -1.926 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -17.177 -8.335 -4.143 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -15.674 -7.602 -3.619 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -13.856 -8.877 -3.433 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.870 -10.643 -3.459 1.00 0.00 H new ATOM 1033 N GLY A 63 -17.102 -8.280 1.361 1.00 0.00 N ATOM 1034 CA GLY A 63 -17.774 -7.530 2.416 1.00 0.00 C ATOM 1035 C GLY A 63 -16.862 -6.985 3.520 1.00 0.00 C ATOM 1036 O GLY A 63 -17.356 -6.542 4.552 1.00 0.00 O ATOM 0 H GLY A 63 -17.243 -9.289 1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -18.305 -6.694 1.962 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.525 -8.174 2.874 1.00 0.00 H new ATOM 1040 N LEU A 64 -15.536 -6.981 3.352 1.00 0.00 N ATOM 1041 CA LEU A 64 -14.626 -6.747 4.478 1.00 0.00 C ATOM 1042 C LEU A 64 -14.320 -5.258 4.664 1.00 0.00 C ATOM 1043 O LEU A 64 -13.325 -4.900 5.291 1.00 0.00 O ATOM 1044 CB LEU A 64 -13.296 -7.437 4.175 1.00 0.00 C ATOM 1045 CG LEU A 64 -13.296 -8.968 4.130 1.00 0.00 C ATOM 1046 CD1 LEU A 64 -14.596 -9.631 3.683 1.00 0.00 C ATOM 1047 CD2 LEU A 64 -12.210 -9.319 3.123 1.00 0.00 C ATOM 0 H LEU A 64 -15.072 -7.135 2.457 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.105 -7.132 5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.937 -7.071 3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.573 -7.121 4.927 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.144 -9.335 5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -14.474 -10.714 3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.400 -9.351 4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.844 -9.302 2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.140 -10.402 3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.457 -8.884 2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.254 -8.922 3.466 1.00 0.00 H new ATOM 1059 N GLY A 65 -15.205 -4.395 4.186 1.00 0.00 N ATOM 1060 CA GLY A 65 -15.222 -2.953 4.396 1.00 0.00 C ATOM 1061 C GLY A 65 -13.837 -2.305 4.306 1.00 0.00 C ATOM 1062 O GLY A 65 -13.399 -1.905 3.229 1.00 0.00 O ATOM 0 H GLY A 65 -15.982 -4.704 3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.878 -2.494 3.656 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.650 -2.742 5.376 1.00 0.00 H new ATOM 1066 N SER A 66 -13.148 -2.155 5.439 1.00 0.00 N ATOM 1067 CA SER A 66 -11.838 -1.546 5.515 1.00 0.00 C ATOM 1068 C SER A 66 -10.744 -2.482 4.988 1.00 0.00 C ATOM 1069 O SER A 66 -9.781 -2.045 4.357 1.00 0.00 O ATOM 1070 CB SER A 66 -11.563 -1.188 6.983 1.00 0.00 C ATOM 1071 OG SER A 66 -11.701 0.207 7.176 1.00 0.00 O ATOM 0 H SER A 66 -13.502 -2.464 6.344 1.00 0.00 H new ATOM 0 HA SER A 66 -11.824 -0.653 4.889 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.256 -1.723 7.632 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.557 -1.504 7.261 1.00 0.00 H new ATOM 0 HG SER A 66 -11.526 0.426 8.115 1.00 0.00 H new ATOM 1077 N ASN A 67 -10.819 -3.760 5.344 1.00 0.00 N ATOM 1078 CA ASN A 67 -9.708 -4.683 5.156 1.00 0.00 C ATOM 1079 C ASN A 67 -9.727 -5.322 3.782 1.00 0.00 C ATOM 1080 O ASN A 67 -8.723 -5.926 3.417 1.00 0.00 O ATOM 1081 CB ASN A 67 -9.684 -5.760 6.245 1.00 0.00 C ATOM 1082 CG ASN A 67 -9.146 -5.235 7.568 1.00 0.00 C ATOM 1083 OD1 ASN A 67 -8.962 -4.032 7.754 1.00 0.00 O ATOM 1084 ND2 ASN A 67 -8.913 -6.128 8.513 1.00 0.00 N ATOM 0 H ASN A 67 -11.645 -4.182 5.768 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.795 -4.093 5.236 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -10.693 -6.145 6.393 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.069 -6.596 5.912 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.571 -5.827 9.426 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.075 -7.118 8.330 1.00 0.00 H new ATOM 1091 N LEU A 68 -10.819 -5.172 3.018 1.00 0.00 N ATOM 1092 CA LEU A 68 -10.904 -5.746 1.680 1.00 0.00 C ATOM 1093 C LEU A 68 -9.609 -5.454 0.928 1.00 0.00 C ATOM 1094 O LEU A 68 -9.120 -4.318 0.943 1.00 0.00 O ATOM 1095 CB LEU A 68 -12.089 -5.170 0.890 1.00 0.00 C ATOM 1096 CG LEU A 68 -12.205 -5.805 -0.512 1.00 0.00 C ATOM 1097 CD1 LEU A 68 -12.632 -7.267 -0.398 1.00 0.00 C ATOM 1098 CD2 LEU A 68 -13.216 -5.065 -1.388 1.00 0.00 C ATOM 0 H LEU A 68 -11.651 -4.658 3.309 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.056 -6.821 1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -13.012 -5.340 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.970 -4.091 0.792 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.222 -5.735 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.710 -7.702 -1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.892 -7.818 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.600 -7.326 0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.268 -5.543 -2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.198 -5.096 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.904 -4.028 -1.507 1.00 0.00 H new ATOM 1110 N VAL A 69 -9.055 -6.468 0.286 1.00 0.00 N ATOM 1111 CA VAL A 69 -7.855 -6.363 -0.506 1.00 0.00 C ATOM 1112 C VAL A 69 -8.305 -6.126 -1.944 1.00 0.00 C ATOM 1113 O VAL A 69 -9.012 -6.931 -2.540 1.00 0.00 O ATOM 1114 CB VAL A 69 -6.971 -7.596 -0.252 1.00 0.00 C ATOM 1115 CG1 VAL A 69 -5.639 -7.568 -1.007 1.00 0.00 C ATOM 1116 CG2 VAL A 69 -6.690 -7.632 1.261 1.00 0.00 C ATOM 0 H VAL A 69 -9.443 -7.411 0.306 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.211 -5.525 -0.240 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.500 -8.478 -0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.072 -8.470 -0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.829 -7.522 -2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.067 -6.692 -0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.063 -8.493 1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.176 -6.718 1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.632 -7.711 1.804 1.00 0.00 H new ATOM 1126 N THR A 70 -7.959 -4.955 -2.466 1.00 0.00 N ATOM 1127 CA THR A 70 -8.088 -4.608 -3.865 1.00 0.00 C ATOM 1128 C THR A 70 -6.696 -4.699 -4.497 1.00 0.00 C ATOM 1129 O THR A 70 -5.694 -4.745 -3.778 1.00 0.00 O ATOM 1130 CB THR A 70 -8.694 -3.199 -3.978 1.00 0.00 C ATOM 1131 OG1 THR A 70 -7.850 -2.208 -3.410 1.00 0.00 O ATOM 1132 CG2 THR A 70 -10.063 -3.128 -3.293 1.00 0.00 C ATOM 0 H THR A 70 -7.568 -4.200 -1.903 1.00 0.00 H new ATOM 0 HA THR A 70 -8.754 -5.289 -4.395 1.00 0.00 H new ATOM 0 HB THR A 70 -8.804 -3.000 -5.044 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.188 -1.318 -3.642 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.466 -2.120 -3.389 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.743 -3.838 -3.764 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.955 -3.376 -2.237 1.00 0.00 H new ATOM 1140 N GLU A 71 -6.623 -4.662 -5.826 1.00 0.00 N ATOM 1141 CA GLU A 71 -5.396 -4.686 -6.611 1.00 0.00 C ATOM 1142 C GLU A 71 -4.274 -3.865 -5.977 1.00 0.00 C ATOM 1143 O GLU A 71 -3.145 -4.339 -5.827 1.00 0.00 O ATOM 1144 CB GLU A 71 -5.717 -4.137 -8.004 1.00 0.00 C ATOM 1145 CG GLU A 71 -6.470 -5.191 -8.828 1.00 0.00 C ATOM 1146 CD GLU A 71 -5.477 -5.941 -9.679 1.00 0.00 C ATOM 1147 OE1 GLU A 71 -4.463 -6.398 -9.118 1.00 0.00 O ATOM 1148 OE2 GLU A 71 -5.631 -5.907 -10.915 1.00 0.00 O ATOM 0 H GLU A 71 -7.458 -4.612 -6.410 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.038 -5.714 -6.661 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.321 -3.234 -7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.795 -3.857 -8.514 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.998 -5.880 -8.168 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.221 -4.713 -9.457 1.00 0.00 H new ATOM 1155 N VAL A 72 -4.564 -2.614 -5.623 1.00 0.00 N ATOM 1156 CA VAL A 72 -3.505 -1.741 -5.155 1.00 0.00 C ATOM 1157 C VAL A 72 -2.858 -2.278 -3.888 1.00 0.00 C ATOM 1158 O VAL A 72 -1.689 -1.999 -3.675 1.00 0.00 O ATOM 1159 CB VAL A 72 -3.991 -0.293 -4.964 1.00 0.00 C ATOM 1160 CG1 VAL A 72 -4.611 -0.023 -3.583 1.00 0.00 C ATOM 1161 CG2 VAL A 72 -2.816 0.670 -5.164 1.00 0.00 C ATOM 0 H VAL A 72 -5.495 -2.198 -5.651 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.743 -1.723 -5.934 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.774 -0.135 -5.706 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.929 1.018 -3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.472 -0.675 -3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.871 -0.220 -2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.159 1.696 -5.029 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.036 0.449 -4.435 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.415 0.551 -6.171 1.00 0.00 H new ATOM 1171 N ARG A 73 -3.573 -3.009 -3.027 1.00 0.00 N ATOM 1172 CA ARG A 73 -2.951 -3.545 -1.825 1.00 0.00 C ATOM 1173 C ARG A 73 -1.773 -4.415 -2.233 1.00 0.00 C ATOM 1174 O ARG A 73 -0.665 -4.201 -1.740 1.00 0.00 O ATOM 1175 CB ARG A 73 -3.907 -4.414 -1.006 1.00 0.00 C ATOM 1176 CG ARG A 73 -4.787 -3.654 -0.022 1.00 0.00 C ATOM 1177 CD ARG A 73 -5.773 -2.729 -0.721 1.00 0.00 C ATOM 1178 NE ARG A 73 -7.038 -2.644 0.023 1.00 0.00 N ATOM 1179 CZ ARG A 73 -7.955 -1.681 -0.128 1.00 0.00 C ATOM 1180 NH1 ARG A 73 -7.777 -0.782 -1.091 1.00 0.00 N ATOM 1181 NH2 ARG A 73 -9.022 -1.663 0.662 1.00 0.00 N ATOM 0 H ARG A 73 -4.561 -3.236 -3.140 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.646 -2.697 -1.211 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.549 -4.967 -1.692 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.322 -5.150 -0.454 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.335 -4.365 0.595 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.157 -3.069 0.648 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.337 -1.735 -0.818 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.965 -3.093 -1.730 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.232 -3.375 0.707 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.956 -0.836 -1.694 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.461 -0.038 -1.227 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.139 -2.380 1.378 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.725 -0.932 0.553 1.00 0.00 H new ATOM 1195 N VAL A 74 -2.016 -5.408 -3.091 1.00 0.00 N ATOM 1196 CA VAL A 74 -0.980 -6.364 -3.443 1.00 0.00 C ATOM 1197 C VAL A 74 0.152 -5.620 -4.152 1.00 0.00 C ATOM 1198 O VAL A 74 1.322 -5.749 -3.792 1.00 0.00 O ATOM 1199 CB VAL A 74 -1.551 -7.588 -4.190 1.00 0.00 C ATOM 1200 CG1 VAL A 74 -1.833 -7.400 -5.683 1.00 0.00 C ATOM 1201 CG2 VAL A 74 -0.607 -8.782 -4.024 1.00 0.00 C ATOM 0 H VAL A 74 -2.914 -5.565 -3.548 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.545 -6.810 -2.548 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.523 -7.753 -3.726 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.230 -8.326 -6.098 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.561 -6.600 -5.818 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.908 -7.139 -6.198 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.014 -9.644 -4.553 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.371 -8.532 -4.435 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.505 -9.021 -2.965 1.00 0.00 H new ATOM 1211 N TYR A 75 -0.206 -4.756 -5.103 1.00 0.00 N ATOM 1212 CA TYR A 75 0.785 -3.956 -5.810 1.00 0.00 C ATOM 1213 C TYR A 75 1.665 -3.192 -4.821 1.00 0.00 C ATOM 1214 O TYR A 75 2.890 -3.242 -4.868 1.00 0.00 O ATOM 1215 CB TYR A 75 0.119 -2.970 -6.788 1.00 0.00 C ATOM 1216 CG TYR A 75 0.979 -2.761 -8.019 1.00 0.00 C ATOM 1217 CD1 TYR A 75 1.229 -3.857 -8.865 1.00 0.00 C ATOM 1218 CD2 TYR A 75 1.707 -1.568 -8.195 1.00 0.00 C ATOM 1219 CE1 TYR A 75 2.202 -3.766 -9.872 1.00 0.00 C ATOM 1220 CE2 TYR A 75 2.669 -1.471 -9.216 1.00 0.00 C ATOM 1221 CZ TYR A 75 2.904 -2.567 -10.062 1.00 0.00 C ATOM 1222 OH TYR A 75 3.863 -2.512 -11.029 1.00 0.00 O ATOM 0 H TYR A 75 -1.169 -4.596 -5.397 1.00 0.00 H new ATOM 0 HA TYR A 75 1.407 -4.641 -6.386 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.859 -3.350 -7.084 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.047 -2.015 -6.290 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.670 -4.772 -8.739 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.526 -0.726 -7.544 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.410 -4.619 -10.501 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.226 -0.555 -9.349 1.00 0.00 H new ATOM 0 HH TYR A 75 4.262 -1.617 -11.043 1.00 0.00 H new ATOM 1232 N ASN A 76 1.005 -2.476 -3.918 1.00 0.00 N ATOM 1233 CA ASN A 76 1.590 -1.626 -2.900 1.00 0.00 C ATOM 1234 C ASN A 76 2.514 -2.441 -2.008 1.00 0.00 C ATOM 1235 O ASN A 76 3.641 -2.018 -1.782 1.00 0.00 O ATOM 1236 CB ASN A 76 0.458 -0.949 -2.120 1.00 0.00 C ATOM 1237 CG ASN A 76 0.862 -0.008 -0.996 1.00 0.00 C ATOM 1238 OD1 ASN A 76 2.014 0.082 -0.583 1.00 0.00 O ATOM 1239 ND2 ASN A 76 -0.122 0.727 -0.496 1.00 0.00 N ATOM 0 H ASN A 76 -0.014 -2.477 -3.879 1.00 0.00 H new ATOM 0 HA ASN A 76 2.203 -0.846 -3.351 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.153 -0.389 -2.828 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.176 -1.729 -1.698 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.068 1.391 0.254 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.069 0.628 -0.862 1.00 0.00 H new ATOM 1246 N TRP A 77 2.076 -3.602 -1.512 1.00 0.00 N ATOM 1247 CA TRP A 77 2.902 -4.424 -0.635 1.00 0.00 C ATOM 1248 C TRP A 77 4.162 -4.886 -1.373 1.00 0.00 C ATOM 1249 O TRP A 77 5.254 -4.687 -0.855 1.00 0.00 O ATOM 1250 CB TRP A 77 2.109 -5.582 0.004 1.00 0.00 C ATOM 1251 CG TRP A 77 2.577 -6.959 -0.344 1.00 0.00 C ATOM 1252 CD1 TRP A 77 2.135 -7.671 -1.397 1.00 0.00 C ATOM 1253 CD2 TRP A 77 3.586 -7.796 0.296 1.00 0.00 C ATOM 1254 NE1 TRP A 77 2.882 -8.812 -1.539 1.00 0.00 N ATOM 1255 CE2 TRP A 77 3.762 -8.967 -0.497 1.00 0.00 C ATOM 1256 CE3 TRP A 77 4.337 -7.716 1.487 1.00 0.00 C ATOM 1257 CZ2 TRP A 77 4.652 -9.987 -0.151 1.00 0.00 C ATOM 1258 CZ3 TRP A 77 5.145 -8.792 1.899 1.00 0.00 C ATOM 1259 CH2 TRP A 77 5.343 -9.906 1.065 1.00 0.00 C ATOM 0 H TRP A 77 1.153 -3.990 -1.705 1.00 0.00 H new ATOM 0 HA TRP A 77 3.226 -3.810 0.205 1.00 0.00 H new ATOM 0 HB2 TRP A 77 2.146 -5.469 1.087 1.00 0.00 H new ATOM 0 HB3 TRP A 77 1.064 -5.488 -0.291 1.00 0.00 H new ATOM 0 HD1 TRP A 77 1.313 -7.386 -2.036 1.00 0.00 H new ATOM 0 HE1 TRP A 77 2.795 -9.463 -2.320 1.00 0.00 H new ATOM 0 HE3 TRP A 77 4.292 -6.820 2.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.805 -10.827 -0.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.619 -8.761 2.869 1.00 0.00 H new ATOM 0 HH2 TRP A 77 6.022 -10.693 1.359 1.00 0.00 H new ATOM 1270 N PHE A 78 4.051 -5.466 -2.571 1.00 0.00 N ATOM 1271 CA PHE A 78 5.247 -5.921 -3.274 1.00 0.00 C ATOM 1272 C PHE A 78 6.150 -4.724 -3.576 1.00 0.00 C ATOM 1273 O PHE A 78 7.346 -4.754 -3.293 1.00 0.00 O ATOM 1274 CB PHE A 78 4.897 -6.701 -4.545 1.00 0.00 C ATOM 1275 CG PHE A 78 4.345 -8.097 -4.312 1.00 0.00 C ATOM 1276 CD1 PHE A 78 5.150 -9.082 -3.700 1.00 0.00 C ATOM 1277 CD2 PHE A 78 3.116 -8.470 -4.885 1.00 0.00 C ATOM 1278 CE1 PHE A 78 4.719 -10.422 -3.655 1.00 0.00 C ATOM 1279 CE2 PHE A 78 2.719 -9.819 -4.890 1.00 0.00 C ATOM 1280 CZ PHE A 78 3.511 -10.792 -4.264 1.00 0.00 C ATOM 0 H PHE A 78 3.171 -5.627 -3.061 1.00 0.00 H new ATOM 0 HA PHE A 78 5.788 -6.613 -2.629 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.165 -6.128 -5.115 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.792 -6.779 -5.163 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.099 -8.807 -3.265 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.475 -7.718 -5.322 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.319 -11.165 -3.151 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.800 -10.107 -5.378 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.192 -11.824 -4.251 1.00 0.00 H new ATOM 1290 N ALA A 79 5.568 -3.638 -4.089 1.00 0.00 N ATOM 1291 CA ALA A 79 6.266 -2.372 -4.273 1.00 0.00 C ATOM 1292 C ALA A 79 6.921 -1.906 -2.967 1.00 0.00 C ATOM 1293 O ALA A 79 7.966 -1.257 -2.999 1.00 0.00 O ATOM 1294 CB ALA A 79 5.313 -1.306 -4.820 1.00 0.00 C ATOM 0 H ALA A 79 4.593 -3.616 -4.389 1.00 0.00 H new ATOM 0 HA ALA A 79 7.060 -2.527 -5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.853 -0.368 -4.951 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.915 -1.632 -5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.492 -1.158 -4.119 1.00 0.00 H new ATOM 1300 N ASN A 80 6.311 -2.221 -1.822 1.00 0.00 N ATOM 1301 CA ASN A 80 6.839 -1.875 -0.515 1.00 0.00 C ATOM 1302 C ASN A 80 8.031 -2.756 -0.180 1.00 0.00 C ATOM 1303 O ASN A 80 9.055 -2.214 0.202 1.00 0.00 O ATOM 1304 CB ASN A 80 5.790 -1.973 0.604 1.00 0.00 C ATOM 1305 CG ASN A 80 6.133 -1.099 1.807 1.00 0.00 C ATOM 1306 OD1 ASN A 80 5.230 -0.696 2.534 1.00 0.00 O ATOM 1307 ND2 ASN A 80 7.395 -0.768 2.038 1.00 0.00 N ATOM 0 H ASN A 80 5.427 -2.729 -1.784 1.00 0.00 H new ATOM 0 HA ASN A 80 7.149 -0.832 -0.572 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.817 -1.679 0.211 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.703 -3.011 0.926 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.628 -0.169 2.830 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.133 -1.112 1.424 1.00 0.00 H new ATOM 1314 N ARG A 81 7.921 -4.081 -0.286 1.00 0.00 N ATOM 1315 CA ARG A 81 9.035 -4.987 -0.024 1.00 0.00 C ATOM 1316 C ARG A 81 10.220 -4.607 -0.908 1.00 0.00 C ATOM 1317 O ARG A 81 11.338 -4.453 -0.425 1.00 0.00 O ATOM 1318 CB ARG A 81 8.639 -6.450 -0.284 1.00 0.00 C ATOM 1319 CG ARG A 81 7.940 -7.142 0.898 1.00 0.00 C ATOM 1320 CD ARG A 81 8.838 -7.342 2.135 1.00 0.00 C ATOM 1321 NE ARG A 81 10.118 -8.003 1.810 1.00 0.00 N ATOM 1322 CZ ARG A 81 11.134 -8.247 2.658 1.00 0.00 C ATOM 1323 NH1 ARG A 81 11.097 -7.782 3.902 1.00 0.00 N ATOM 1324 NH2 ARG A 81 12.186 -8.955 2.244 1.00 0.00 N ATOM 0 H ARG A 81 7.058 -4.553 -0.555 1.00 0.00 H new ATOM 0 HA ARG A 81 9.312 -4.894 1.026 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.979 -6.486 -1.151 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.535 -7.015 -0.541 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.070 -6.552 1.186 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.572 -8.114 0.569 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.040 -6.373 2.592 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.303 -7.938 2.874 1.00 0.00 H new ATOM 0 HE ARG A 81 10.245 -8.305 0.844 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.295 -7.237 4.219 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.870 -7.970 4.540 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.218 -9.309 1.288 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.958 -9.142 2.883 1.00 0.00 H new ATOM 1338 N ARG A 82 9.987 -4.436 -2.207 1.00 0.00 N ATOM 1339 CA ARG A 82 11.076 -4.123 -3.113 1.00 0.00 C ATOM 1340 C ARG A 82 11.679 -2.752 -2.798 1.00 0.00 C ATOM 1341 O ARG A 82 12.881 -2.571 -2.950 1.00 0.00 O ATOM 1342 CB ARG A 82 10.650 -4.303 -4.575 1.00 0.00 C ATOM 1343 CG ARG A 82 9.687 -3.226 -5.065 1.00 0.00 C ATOM 1344 CD ARG A 82 10.435 -2.030 -5.662 1.00 0.00 C ATOM 1345 NE ARG A 82 9.651 -0.787 -5.602 1.00 0.00 N ATOM 1346 CZ ARG A 82 9.991 0.307 -6.302 1.00 0.00 C ATOM 1347 NH1 ARG A 82 11.171 0.341 -6.924 1.00 0.00 N ATOM 1348 NH2 ARG A 82 9.166 1.351 -6.386 1.00 0.00 N ATOM 0 H ARG A 82 9.069 -4.508 -2.645 1.00 0.00 H new ATOM 0 HA ARG A 82 11.883 -4.839 -2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.538 -4.300 -5.207 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.180 -5.280 -4.691 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.018 -3.649 -5.815 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.064 -2.890 -4.236 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.374 -1.889 -5.127 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.689 -2.246 -6.700 1.00 0.00 H new ATOM 0 HE ARG A 82 8.822 -0.755 -5.009 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.802 -0.458 -6.864 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.442 1.166 -7.459 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.262 1.326 -5.914 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.439 2.175 -6.922 1.00 0.00 H new