USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 866 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 61 HIS : no HD1:sc= -1.06! C(o=-1.1!,f=-4.4!) USER MOD Set 1.2: A 109 CYS SG : rot 180:sc=-0.00179 USER MOD Set 2.1: A 68 TYR OH : rot 174:sc= 0.926 USER MOD Set 2.2: A 83 MET CE :methyl 173:sc= -0.0203 (180deg=-0.0648) USER MOD Set 3.1: A 82 SER OG : rot 180:sc= -0.882 USER MOD Set 3.2: B1141 ASN : amide:sc= -0.584 K(o=-1.5,f=-3.1!) USER MOD Set 4.1: A 29 SER OG : rot -107:sc= 0.935 USER MOD Set 4.2: A 67 HIS : no HD1:sc= -1.16 K(o=-0.23,f=-5.6!) USER MOD Set 5.1: A 63 GLN : amide:sc= 0.696 K(o=1.5,f=-2.6) USER MOD Set 5.2: A 64 LYS NZ :NH3+ -168:sc= 0.786 (180deg=0) USER MOD Set 6.1: A 36 GLN : amide:sc= 1.32 K(o=1.8,f=-4.6!) USER MOD Set 6.2: A 60 CYS SG : rot 64:sc= 0.492 USER MOD Set 7.1: A 25 SER OG : rot 180:sc= 1.09 USER MOD Set 7.2: A 48 SER OG : rot 119:sc= 1.35 USER MOD Single : A 21 HIS : no HD1:sc= 0.771 K(o=0.77,f=-4.4!) USER MOD Single : A 30 GLN : amide:sc= 0.257 K(o=0.26,f=-1.3!) USER MOD Single : A 35 GLN : amide:sc= 0.711 K(o=0.71,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.665 X(o=-0.67,f=-0.64) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc=-0.00562 K(o=-0.0056,f=-0.67) USER MOD Single : A 58 SER OG : rot -16:sc= 0.809 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 30:sc= 0.372 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 170:sc=-0.00125 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0.912 K(o=0.91,f=0) USER MOD Single : A 100 HIS : no HE2:sc= 0.482 K(o=0.48,f=-2.4!) USER MOD Single : A 101 GLN : amide:sc= 0.353 K(o=0.35,f=-1.2) USER MOD Single : A 103 ASN : amide:sc= 1.37 K(o=1.4,f=-3.8!) USER MOD Single : A 113 HIS : no HD1:sc= -0.054 K(o=-0.054,f=-0.83) USER MOD Single : A 114 CYS SG : rot 180:sc= -0.1 USER MOD Single : A 115 CYS SG : rot -103:sc= 0.596 USER MOD Single : A 116 THR OG1 : rot 150:sc= 1.95 USER MOD Single : B1142 GLN : amide:sc=-0.00673 X(o=-0.0067,f=0) USER MOD ----------------------------------------------------------------- ATOM 248 N TRP A 19 5.807 2.660 8.786 1.00 0.00 N ATOM 249 CA TRP A 19 5.117 1.870 7.748 1.00 0.00 C ATOM 250 C TRP A 19 5.151 2.568 6.362 1.00 0.00 C ATOM 251 O TRP A 19 4.360 2.229 5.480 1.00 0.00 O ATOM 252 CB TRP A 19 3.681 1.514 8.201 1.00 0.00 C ATOM 253 CG TRP A 19 3.486 0.503 9.301 1.00 0.00 C ATOM 254 CD1 TRP A 19 4.398 -0.382 9.768 1.00 0.00 C ATOM 255 CD2 TRP A 19 2.261 0.232 10.058 1.00 0.00 C ATOM 256 NE1 TRP A 19 3.827 -1.169 10.753 1.00 0.00 N ATOM 257 CE2 TRP A 19 2.515 -0.822 10.984 1.00 0.00 C ATOM 258 CE3 TRP A 19 0.952 0.768 10.052 1.00 0.00 C ATOM 259 CZ2 TRP A 19 1.540 -1.313 11.867 1.00 0.00 C ATOM 260 CZ3 TRP A 19 -0.037 0.282 10.930 1.00 0.00 C ATOM 261 CH2 TRP A 19 0.253 -0.752 11.839 1.00 0.00 C ATOM 0 HA TRP A 19 5.661 0.934 7.620 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.198 2.439 8.516 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.141 1.154 7.325 1.00 0.00 H new ATOM 0 HD1 TRP A 19 5.418 -0.462 9.423 1.00 0.00 H new ATOM 0 HE1 TRP A 19 4.318 -1.914 11.247 1.00 0.00 H new ATOM 0 HE3 TRP A 19 0.707 1.563 9.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 1.776 -2.110 12.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -1.029 0.708 10.905 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -0.511 -1.113 12.512 1.00 0.00 H new ATOM 272 N PHE A 20 6.054 3.543 6.157 1.00 0.00 N ATOM 273 CA PHE A 20 6.144 4.368 4.941 1.00 0.00 C ATOM 274 C PHE A 20 7.571 4.512 4.369 1.00 0.00 C ATOM 275 O PHE A 20 8.544 4.718 5.096 1.00 0.00 O ATOM 276 CB PHE A 20 5.530 5.749 5.224 1.00 0.00 C ATOM 277 CG PHE A 20 5.561 6.686 4.028 1.00 0.00 C ATOM 278 CD1 PHE A 20 4.528 6.648 3.072 1.00 0.00 C ATOM 279 CD2 PHE A 20 6.649 7.563 3.841 1.00 0.00 C ATOM 280 CE1 PHE A 20 4.585 7.471 1.934 1.00 0.00 C ATOM 281 CE2 PHE A 20 6.707 8.384 2.701 1.00 0.00 C ATOM 282 CZ PHE A 20 5.676 8.337 1.746 1.00 0.00 C ATOM 0 H PHE A 20 6.760 3.785 6.852 1.00 0.00 H new ATOM 0 HA PHE A 20 5.582 3.846 4.166 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.497 5.619 5.546 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.066 6.213 6.052 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.688 5.984 3.214 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.440 7.604 4.575 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.790 7.438 1.204 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.544 9.051 2.559 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.722 8.966 0.869 1.00 0.00 H new ATOM 292 N HIS A 21 7.680 4.397 3.039 1.00 0.00 N ATOM 293 CA HIS A 21 8.894 4.602 2.225 1.00 0.00 C ATOM 294 C HIS A 21 8.520 5.281 0.894 1.00 0.00 C ATOM 295 O HIS A 21 7.381 5.116 0.460 1.00 0.00 O ATOM 296 CB HIS A 21 9.552 3.229 1.984 1.00 0.00 C ATOM 297 CG HIS A 21 11.012 3.308 1.618 1.00 0.00 C ATOM 298 ND1 HIS A 21 11.515 3.697 0.374 1.00 0.00 N ATOM 299 CD2 HIS A 21 12.052 2.992 2.441 1.00 0.00 C ATOM 300 CE1 HIS A 21 12.853 3.596 0.476 1.00 0.00 C ATOM 301 NE2 HIS A 21 13.201 3.179 1.705 1.00 0.00 N ATOM 0 H HIS A 21 6.877 4.143 2.464 1.00 0.00 H new ATOM 0 HA HIS A 21 9.599 5.252 2.743 1.00 0.00 H new ATOM 0 HB2 HIS A 21 9.445 2.623 2.884 1.00 0.00 H new ATOM 0 HB3 HIS A 21 9.015 2.714 1.187 1.00 0.00 H new ATOM 0 HD2 HIS A 21 11.988 2.661 3.467 1.00 0.00 H new ATOM 0 HE1 HIS A 21 13.550 3.819 -0.319 1.00 0.00 H new ATOM 0 HE2 HIS A 21 14.154 3.027 2.036 1.00 0.00 H new ATOM 309 N GLY A 22 9.387 6.014 0.181 1.00 0.00 N ATOM 310 CA GLY A 22 9.013 6.523 -1.131 1.00 0.00 C ATOM 311 C GLY A 22 10.150 6.456 -2.133 1.00 0.00 C ATOM 312 O GLY A 22 10.240 7.332 -2.976 1.00 0.00 O ATOM 0 H GLY A 22 10.328 6.259 0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.166 5.951 -1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.681 7.557 -1.034 1.00 0.00 H new ATOM 316 N ARG A 23 11.032 5.450 -2.046 1.00 0.00 N ATOM 317 CA ARG A 23 12.113 5.202 -3.029 1.00 0.00 C ATOM 318 C ARG A 23 12.310 3.732 -3.392 1.00 0.00 C ATOM 319 O ARG A 23 13.182 3.379 -4.174 1.00 0.00 O ATOM 320 CB ARG A 23 13.389 5.963 -2.564 1.00 0.00 C ATOM 321 CG ARG A 23 14.785 5.566 -3.103 1.00 0.00 C ATOM 322 CD ARG A 23 15.003 5.797 -4.607 1.00 0.00 C ATOM 323 NE ARG A 23 16.254 5.171 -5.094 1.00 0.00 N ATOM 324 CZ ARG A 23 16.390 3.989 -5.680 1.00 0.00 C ATOM 325 NH1 ARG A 23 15.407 3.149 -5.788 1.00 0.00 N ATOM 326 NH2 ARG A 23 17.532 3.614 -6.180 1.00 0.00 N ATOM 0 H ARG A 23 11.020 4.773 -1.283 1.00 0.00 H new ATOM 0 HA ARG A 23 11.820 5.611 -3.996 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.240 7.016 -2.804 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.431 5.886 -1.478 1.00 0.00 H new ATOM 0 HG2 ARG A 23 15.541 6.127 -2.554 1.00 0.00 H new ATOM 0 HG3 ARG A 23 14.952 4.511 -2.887 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.156 5.392 -5.161 1.00 0.00 H new ATOM 0 HD3 ARG A 23 15.033 6.868 -4.808 1.00 0.00 H new ATOM 0 HE ARG A 23 17.109 5.711 -4.964 1.00 0.00 H new ATOM 0 HH11 ARG A 23 14.488 3.388 -5.415 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.553 2.249 -6.246 1.00 0.00 H new ATOM 0 HH21 ARG A 23 18.341 4.233 -6.125 1.00 0.00 H new ATOM 0 HH22 ARG A 23 17.618 2.701 -6.627 1.00 0.00 H new ATOM 340 N ILE A 24 11.416 2.884 -2.925 1.00 0.00 N ATOM 341 CA ILE A 24 11.451 1.431 -3.157 1.00 0.00 C ATOM 342 C ILE A 24 10.399 1.036 -4.205 1.00 0.00 C ATOM 343 O ILE A 24 9.388 0.392 -3.924 1.00 0.00 O ATOM 344 CB ILE A 24 11.512 0.658 -1.818 1.00 0.00 C ATOM 345 CG1 ILE A 24 11.970 -0.801 -2.030 1.00 0.00 C ATOM 346 CG2 ILE A 24 10.209 0.706 -1.008 1.00 0.00 C ATOM 347 CD1 ILE A 24 13.474 -0.949 -2.291 1.00 0.00 C ATOM 0 H ILE A 24 10.621 3.180 -2.359 1.00 0.00 H new ATOM 0 HA ILE A 24 12.379 1.111 -3.630 1.00 0.00 H new ATOM 0 HB ILE A 24 12.258 1.180 -1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 24 11.705 -1.386 -1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.422 -1.225 -2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.334 0.141 -0.084 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.967 1.742 -0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.400 0.270 -1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 24 13.717 -2.002 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.744 -0.393 -3.189 1.00 0.00 H new ATOM 0 HD13 ILE A 24 14.031 -0.557 -1.440 1.00 0.00 H new ATOM 359 N SER A 25 10.654 1.491 -5.437 1.00 0.00 N ATOM 360 CA SER A 25 9.816 1.306 -6.633 1.00 0.00 C ATOM 361 C SER A 25 9.339 -0.138 -6.797 1.00 0.00 C ATOM 362 O SER A 25 10.030 -1.074 -6.399 1.00 0.00 O ATOM 363 CB SER A 25 10.609 1.707 -7.888 1.00 0.00 C ATOM 364 OG SER A 25 11.246 2.960 -7.707 1.00 0.00 O ATOM 0 H SER A 25 11.497 2.028 -5.640 1.00 0.00 H new ATOM 0 HA SER A 25 8.938 1.939 -6.507 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.355 0.944 -8.110 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.938 1.756 -8.746 1.00 0.00 H new ATOM 0 HG SER A 25 11.745 3.193 -8.517 1.00 0.00 H new ATOM 370 N ARG A 26 8.188 -0.329 -7.439 1.00 0.00 N ATOM 371 CA ARG A 26 7.471 -1.608 -7.618 1.00 0.00 C ATOM 372 C ARG A 26 8.300 -2.813 -8.071 1.00 0.00 C ATOM 373 O ARG A 26 8.019 -3.927 -7.640 1.00 0.00 O ATOM 374 CB ARG A 26 6.232 -1.359 -8.511 1.00 0.00 C ATOM 375 CG ARG A 26 6.461 -0.997 -9.988 1.00 0.00 C ATOM 376 CD ARG A 26 7.142 0.351 -10.243 1.00 0.00 C ATOM 377 NE ARG A 26 7.205 0.721 -11.663 1.00 0.00 N ATOM 378 CZ ARG A 26 7.748 1.828 -12.125 1.00 0.00 C ATOM 379 NH1 ARG A 26 8.106 2.825 -11.360 1.00 0.00 N ATOM 380 NH2 ARG A 26 7.935 1.930 -13.405 1.00 0.00 N ATOM 0 H ARG A 26 7.694 0.448 -7.878 1.00 0.00 H new ATOM 0 HA ARG A 26 7.171 -1.926 -6.620 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.614 -2.256 -8.480 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.651 -0.556 -8.058 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.065 -1.781 -10.446 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.497 -0.999 -10.497 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.606 1.128 -9.698 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.154 0.319 -9.840 1.00 0.00 H new ATOM 0 HE ARG A 26 6.799 0.074 -12.339 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.969 2.768 -10.351 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.523 3.660 -11.772 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.663 1.165 -14.023 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.354 2.775 -13.794 1.00 0.00 H new ATOM 394 N GLU A 27 9.343 -2.600 -8.874 1.00 0.00 N ATOM 395 CA GLU A 27 10.280 -3.655 -9.301 1.00 0.00 C ATOM 396 C GLU A 27 11.345 -4.007 -8.238 1.00 0.00 C ATOM 397 O GLU A 27 11.780 -5.158 -8.161 1.00 0.00 O ATOM 398 CB GLU A 27 10.918 -3.272 -10.648 1.00 0.00 C ATOM 399 CG GLU A 27 11.832 -2.037 -10.595 1.00 0.00 C ATOM 400 CD GLU A 27 12.398 -1.709 -11.989 1.00 0.00 C ATOM 401 OE1 GLU A 27 13.469 -2.251 -12.358 1.00 0.00 O ATOM 402 OE2 GLU A 27 11.784 -0.895 -12.721 1.00 0.00 O ATOM 0 H GLU A 27 9.569 -1.681 -9.254 1.00 0.00 H new ATOM 0 HA GLU A 27 9.699 -4.569 -9.428 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.496 -4.120 -11.016 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.124 -3.089 -11.372 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.272 -1.182 -10.215 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.651 -2.216 -9.899 1.00 0.00 H new ATOM 409 N GLU A 28 11.759 -3.046 -7.404 1.00 0.00 N ATOM 410 CA GLU A 28 12.684 -3.260 -6.280 1.00 0.00 C ATOM 411 C GLU A 28 11.993 -3.807 -5.028 1.00 0.00 C ATOM 412 O GLU A 28 12.492 -4.741 -4.408 1.00 0.00 O ATOM 413 CB GLU A 28 13.485 -1.983 -5.965 1.00 0.00 C ATOM 414 CG GLU A 28 14.409 -1.575 -7.122 1.00 0.00 C ATOM 415 CD GLU A 28 15.493 -0.582 -6.659 1.00 0.00 C ATOM 416 OE1 GLU A 28 16.491 -1.019 -6.035 1.00 0.00 O ATOM 417 OE2 GLU A 28 15.372 0.638 -6.928 1.00 0.00 O ATOM 0 H GLU A 28 11.455 -2.076 -7.492 1.00 0.00 H new ATOM 0 HA GLU A 28 13.383 -4.031 -6.603 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.795 -1.168 -5.749 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.081 -2.143 -5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.883 -2.463 -7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.818 -1.124 -7.919 1.00 0.00 H new ATOM 424 N SER A 29 10.820 -3.279 -4.659 1.00 0.00 N ATOM 425 CA SER A 29 10.119 -3.701 -3.432 1.00 0.00 C ATOM 426 C SER A 29 9.651 -5.152 -3.493 1.00 0.00 C ATOM 427 O SER A 29 9.726 -5.855 -2.487 1.00 0.00 O ATOM 428 CB SER A 29 8.970 -2.751 -3.074 1.00 0.00 C ATOM 429 OG SER A 29 8.336 -2.203 -4.212 1.00 0.00 O ATOM 0 H SER A 29 10.333 -2.558 -5.191 1.00 0.00 H new ATOM 0 HA SER A 29 10.851 -3.644 -2.627 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.233 -3.289 -2.477 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.354 -1.942 -2.453 1.00 0.00 H new ATOM 0 HG SER A 29 8.580 -1.258 -4.299 1.00 0.00 H new ATOM 435 N GLN A 30 9.287 -5.667 -4.672 1.00 0.00 N ATOM 436 CA GLN A 30 8.931 -7.087 -4.824 1.00 0.00 C ATOM 437 C GLN A 30 10.114 -8.055 -4.628 1.00 0.00 C ATOM 438 O GLN A 30 9.895 -9.212 -4.270 1.00 0.00 O ATOM 439 CB GLN A 30 8.155 -7.326 -6.132 1.00 0.00 C ATOM 440 CG GLN A 30 8.970 -7.062 -7.404 1.00 0.00 C ATOM 441 CD GLN A 30 8.169 -7.253 -8.694 1.00 0.00 C ATOM 442 OE1 GLN A 30 8.656 -7.842 -9.650 1.00 0.00 O ATOM 443 NE2 GLN A 30 6.960 -6.744 -8.809 1.00 0.00 N ATOM 0 H GLN A 30 9.230 -5.126 -5.535 1.00 0.00 H new ATOM 0 HA GLN A 30 8.259 -7.328 -4.001 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.801 -8.357 -6.148 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.273 -6.686 -6.140 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.356 -6.043 -7.373 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.832 -7.729 -7.419 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.538 -6.250 -8.023 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.446 -6.844 -9.684 1.00 0.00 H new ATOM 452 N ARG A 31 11.362 -7.587 -4.778 1.00 0.00 N ATOM 453 CA ARG A 31 12.575 -8.384 -4.504 1.00 0.00 C ATOM 454 C ARG A 31 12.820 -8.556 -2.995 1.00 0.00 C ATOM 455 O ARG A 31 13.374 -9.568 -2.574 1.00 0.00 O ATOM 456 CB ARG A 31 13.771 -7.727 -5.221 1.00 0.00 C ATOM 457 CG ARG A 31 15.021 -8.622 -5.251 1.00 0.00 C ATOM 458 CD ARG A 31 16.167 -7.986 -6.051 1.00 0.00 C ATOM 459 NE ARG A 31 16.670 -6.741 -5.429 1.00 0.00 N ATOM 460 CZ ARG A 31 17.567 -6.627 -4.464 1.00 0.00 C ATOM 461 NH1 ARG A 31 18.112 -7.664 -3.893 1.00 0.00 N ATOM 462 NH2 ARG A 31 17.936 -5.450 -4.047 1.00 0.00 N ATOM 0 H ARG A 31 11.563 -6.639 -5.095 1.00 0.00 H new ATOM 0 HA ARG A 31 12.440 -9.393 -4.894 1.00 0.00 H new ATOM 0 HB2 ARG A 31 13.483 -7.480 -6.243 1.00 0.00 H new ATOM 0 HB3 ARG A 31 14.015 -6.789 -4.723 1.00 0.00 H new ATOM 0 HG2 ARG A 31 15.354 -8.813 -4.231 1.00 0.00 H new ATOM 0 HG3 ARG A 31 14.765 -9.587 -5.689 1.00 0.00 H new ATOM 0 HD2 ARG A 31 16.985 -8.701 -6.138 1.00 0.00 H new ATOM 0 HD3 ARG A 31 15.823 -7.770 -7.063 1.00 0.00 H new ATOM 0 HE ARG A 31 16.279 -5.869 -5.786 1.00 0.00 H new ATOM 0 HH11 ARG A 31 17.850 -8.605 -4.187 1.00 0.00 H new ATOM 0 HH12 ARG A 31 18.801 -7.535 -3.152 1.00 0.00 H new ATOM 0 HH21 ARG A 31 17.533 -4.611 -4.465 1.00 0.00 H new ATOM 0 HH22 ARG A 31 18.628 -5.367 -3.302 1.00 0.00 H new ATOM 476 N LEU A 32 12.374 -7.587 -2.185 1.00 0.00 N ATOM 477 CA LEU A 32 12.531 -7.568 -0.721 1.00 0.00 C ATOM 478 C LEU A 32 11.313 -8.171 0.006 1.00 0.00 C ATOM 479 O LEU A 32 11.472 -9.075 0.824 1.00 0.00 O ATOM 480 CB LEU A 32 12.819 -6.120 -0.260 1.00 0.00 C ATOM 481 CG LEU A 32 14.292 -5.668 -0.356 1.00 0.00 C ATOM 482 CD1 LEU A 32 14.860 -5.679 -1.776 1.00 0.00 C ATOM 483 CD2 LEU A 32 14.408 -4.241 0.181 1.00 0.00 C ATOM 0 H LEU A 32 11.879 -6.769 -2.539 1.00 0.00 H new ATOM 0 HA LEU A 32 13.377 -8.201 -0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.210 -5.440 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.493 -6.016 0.775 1.00 0.00 H new ATOM 0 HG LEU A 32 14.867 -6.386 0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.898 -5.348 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.809 -6.690 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 32 14.278 -5.006 -2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.445 -3.912 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 32 13.780 -3.577 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.082 -4.216 1.221 1.00 0.00 H new ATOM 495 N ILE A 33 10.098 -7.704 -0.310 1.00 0.00 N ATOM 496 CA ILE A 33 8.824 -8.101 0.339 1.00 0.00 C ATOM 497 C ILE A 33 8.304 -9.449 -0.208 1.00 0.00 C ATOM 498 O ILE A 33 7.485 -10.098 0.436 1.00 0.00 O ATOM 499 CB ILE A 33 7.806 -6.923 0.232 1.00 0.00 C ATOM 500 CG1 ILE A 33 8.125 -5.729 1.172 1.00 0.00 C ATOM 501 CG2 ILE A 33 6.356 -7.318 0.575 1.00 0.00 C ATOM 502 CD1 ILE A 33 9.451 -4.992 0.954 1.00 0.00 C ATOM 0 H ILE A 33 9.961 -7.015 -1.049 1.00 0.00 H new ATOM 0 HA ILE A 33 8.985 -8.286 1.401 1.00 0.00 H new ATOM 0 HB ILE A 33 7.903 -6.640 -0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.317 -5.003 1.079 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.108 -6.095 2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.709 -6.446 0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.020 -8.098 -0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.313 -7.690 1.599 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.541 -4.183 1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.280 -5.688 1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.476 -4.579 -0.054 1.00 0.00 H new ATOM 514 N GLY A 34 8.853 -9.958 -1.316 1.00 0.00 N ATOM 515 CA GLY A 34 8.398 -11.208 -1.956 1.00 0.00 C ATOM 516 C GLY A 34 9.218 -12.440 -1.562 1.00 0.00 C ATOM 517 O GLY A 34 9.012 -13.524 -2.107 1.00 0.00 O ATOM 0 H GLY A 34 9.632 -9.514 -1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.354 -11.380 -1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.440 -11.087 -3.038 1.00 0.00 H new ATOM 521 N GLN A 35 10.111 -12.295 -0.571 1.00 0.00 N ATOM 522 CA GLN A 35 10.899 -13.391 0.016 1.00 0.00 C ATOM 523 C GLN A 35 10.067 -14.242 0.998 1.00 0.00 C ATOM 524 O GLN A 35 10.514 -15.303 1.440 1.00 0.00 O ATOM 525 CB GLN A 35 12.123 -12.801 0.737 1.00 0.00 C ATOM 526 CG GLN A 35 13.043 -12.015 -0.207 1.00 0.00 C ATOM 527 CD GLN A 35 14.238 -11.425 0.537 1.00 0.00 C ATOM 528 OE1 GLN A 35 15.358 -11.918 0.470 1.00 0.00 O ATOM 529 NE2 GLN A 35 14.044 -10.367 1.297 1.00 0.00 N ATOM 0 H GLN A 35 10.310 -11.390 -0.145 1.00 0.00 H new ATOM 0 HA GLN A 35 11.218 -14.050 -0.791 1.00 0.00 H new ATOM 0 HB2 GLN A 35 11.786 -12.145 1.539 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.690 -13.608 1.202 1.00 0.00 H new ATOM 0 HG2 GLN A 35 13.396 -12.672 -1.002 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.478 -11.214 -0.683 1.00 0.00 H new ATOM 0 HE21 GLN A 35 13.116 -9.948 1.361 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.822 -9.967 1.822 1.00 0.00 H new ATOM 538 N GLN A 36 8.861 -13.770 1.352 1.00 0.00 N ATOM 539 CA GLN A 36 7.900 -14.459 2.220 1.00 0.00 C ATOM 540 C GLN A 36 6.441 -14.311 1.760 1.00 0.00 C ATOM 541 O GLN A 36 6.029 -13.226 1.356 1.00 0.00 O ATOM 542 CB GLN A 36 8.191 -14.250 3.727 1.00 0.00 C ATOM 543 CG GLN A 36 8.880 -12.942 4.170 1.00 0.00 C ATOM 544 CD GLN A 36 7.960 -11.737 4.215 1.00 0.00 C ATOM 545 OE1 GLN A 36 7.811 -11.072 5.229 1.00 0.00 O ATOM 546 NE2 GLN A 36 7.316 -11.411 3.124 1.00 0.00 N ATOM 0 H GLN A 36 8.519 -12.865 1.029 1.00 0.00 H new ATOM 0 HA GLN A 36 8.062 -15.530 2.095 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.243 -14.323 4.261 1.00 0.00 H new ATOM 0 HB3 GLN A 36 8.811 -15.081 4.063 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.314 -13.090 5.159 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.704 -12.730 3.489 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.438 -11.964 2.275 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.692 -10.604 3.122 1.00 0.00 H new ATOM 555 N GLY A 37 5.683 -15.414 1.796 1.00 0.00 N ATOM 556 CA GLY A 37 4.309 -15.522 1.291 1.00 0.00 C ATOM 557 C GLY A 37 3.230 -15.616 2.370 1.00 0.00 C ATOM 558 O GLY A 37 2.604 -16.666 2.530 1.00 0.00 O ATOM 0 H GLY A 37 6.023 -16.290 2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.099 -14.656 0.663 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.241 -16.403 0.652 1.00 0.00 H new ATOM 562 N LEU A 38 3.040 -14.533 3.127 1.00 0.00 N ATOM 563 CA LEU A 38 1.964 -14.411 4.132 1.00 0.00 C ATOM 564 C LEU A 38 0.613 -14.052 3.454 1.00 0.00 C ATOM 565 O LEU A 38 0.507 -14.030 2.225 1.00 0.00 O ATOM 566 CB LEU A 38 2.369 -13.351 5.188 1.00 0.00 C ATOM 567 CG LEU A 38 3.496 -13.700 6.184 1.00 0.00 C ATOM 568 CD1 LEU A 38 3.242 -15.009 6.930 1.00 0.00 C ATOM 569 CD2 LEU A 38 4.883 -13.761 5.548 1.00 0.00 C ATOM 0 H LEU A 38 3.631 -13.704 3.064 1.00 0.00 H new ATOM 0 HA LEU A 38 1.826 -15.369 4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.665 -12.448 4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.480 -13.102 5.767 1.00 0.00 H new ATOM 0 HG LEU A 38 3.481 -12.872 6.892 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.067 -15.203 7.616 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.312 -14.932 7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.166 -15.827 6.214 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.622 -14.011 6.309 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.893 -14.523 4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.126 -12.792 5.111 1.00 0.00 H new ATOM 581 N VAL A 39 -0.460 -13.833 4.235 1.00 0.00 N ATOM 582 CA VAL A 39 -1.737 -13.349 3.674 1.00 0.00 C ATOM 583 C VAL A 39 -1.514 -11.956 3.102 1.00 0.00 C ATOM 584 O VAL A 39 -0.778 -11.148 3.663 1.00 0.00 O ATOM 585 CB VAL A 39 -2.942 -13.432 4.633 1.00 0.00 C ATOM 586 CG1 VAL A 39 -3.243 -14.893 4.982 1.00 0.00 C ATOM 587 CG2 VAL A 39 -2.789 -12.634 5.930 1.00 0.00 C ATOM 0 H VAL A 39 -0.471 -13.981 5.244 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.031 -14.030 2.875 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.767 -12.976 4.086 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.096 -14.937 5.660 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.475 -15.444 4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.373 -15.339 5.464 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.685 -12.754 6.539 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.924 -13.000 6.482 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.649 -11.579 5.694 1.00 0.00 H new ATOM 597 N ASP A 40 -2.169 -11.688 1.968 1.00 0.00 N ATOM 598 CA ASP A 40 -2.045 -10.466 1.164 1.00 0.00 C ATOM 599 C ASP A 40 -2.076 -9.152 1.915 1.00 0.00 C ATOM 600 O ASP A 40 -1.449 -8.171 1.518 1.00 0.00 O ATOM 601 CB ASP A 40 -3.211 -10.427 0.178 1.00 0.00 C ATOM 602 CG ASP A 40 -4.533 -10.020 0.854 1.00 0.00 C ATOM 603 OD1 ASP A 40 -5.020 -10.773 1.728 1.00 0.00 O ATOM 604 OD2 ASP A 40 -5.039 -8.927 0.530 1.00 0.00 O ATOM 0 H ASP A 40 -2.833 -12.349 1.565 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.056 -10.536 0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.983 -9.724 -0.623 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.328 -11.408 -0.283 1.00 0.00 H new ATOM 609 N GLY A 41 -2.648 -9.213 3.096 1.00 0.00 N ATOM 610 CA GLY A 41 -2.908 -8.053 3.904 1.00 0.00 C ATOM 611 C GLY A 41 -1.835 -7.728 4.946 1.00 0.00 C ATOM 612 O GLY A 41 -2.089 -7.001 5.906 1.00 0.00 O ATOM 0 H GLY A 41 -2.949 -10.088 3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.025 -7.192 3.247 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.859 -8.194 4.418 1.00 0.00 H new ATOM 616 N LEU A 42 -0.613 -8.237 4.731 1.00 0.00 N ATOM 617 CA LEU A 42 0.594 -7.914 5.505 1.00 0.00 C ATOM 618 C LEU A 42 1.286 -6.869 4.618 1.00 0.00 C ATOM 619 O LEU A 42 2.427 -7.009 4.188 1.00 0.00 O ATOM 620 CB LEU A 42 1.450 -9.159 5.838 1.00 0.00 C ATOM 621 CG LEU A 42 1.091 -9.940 7.118 1.00 0.00 C ATOM 622 CD1 LEU A 42 1.089 -9.058 8.368 1.00 0.00 C ATOM 623 CD2 LEU A 42 -0.261 -10.632 7.034 1.00 0.00 C ATOM 0 H LEU A 42 -0.432 -8.910 3.986 1.00 0.00 H new ATOM 0 HA LEU A 42 0.389 -7.528 6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.388 -9.847 4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.490 -8.843 5.916 1.00 0.00 H new ATOM 0 HG LEU A 42 1.877 -10.691 7.200 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.830 -9.661 9.238 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.079 -8.624 8.509 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.357 -8.259 8.249 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.456 -11.164 7.965 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.041 -9.888 6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.256 -11.340 6.205 1.00 0.00 H new ATOM 635 N PHE A 43 0.587 -5.754 4.421 1.00 0.00 N ATOM 636 CA PHE A 43 0.939 -4.710 3.468 1.00 0.00 C ATOM 637 C PHE A 43 1.709 -3.483 3.961 1.00 0.00 C ATOM 638 O PHE A 43 1.774 -3.176 5.147 1.00 0.00 O ATOM 639 CB PHE A 43 -0.395 -4.275 2.838 1.00 0.00 C ATOM 640 CG PHE A 43 -1.131 -3.168 3.586 1.00 0.00 C ATOM 641 CD1 PHE A 43 -1.670 -3.412 4.864 1.00 0.00 C ATOM 642 CD2 PHE A 43 -1.248 -1.878 3.034 1.00 0.00 C ATOM 643 CE1 PHE A 43 -2.366 -2.405 5.555 1.00 0.00 C ATOM 644 CE2 PHE A 43 -1.978 -0.880 3.706 1.00 0.00 C ATOM 645 CZ PHE A 43 -2.539 -1.142 4.965 1.00 0.00 C ATOM 0 H PHE A 43 -0.268 -5.548 4.938 1.00 0.00 H new ATOM 0 HA PHE A 43 1.667 -5.152 2.787 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.206 -3.940 1.818 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.049 -5.145 2.772 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.547 -4.384 5.318 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.775 -1.653 2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.767 -2.602 6.538 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.107 0.091 3.251 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.101 -0.376 5.478 1.00 0.00 H new ATOM 655 N LEU A 44 2.284 -2.775 2.986 1.00 0.00 N ATOM 656 CA LEU A 44 3.040 -1.527 3.144 1.00 0.00 C ATOM 657 C LEU A 44 2.395 -0.422 2.285 1.00 0.00 C ATOM 658 O LEU A 44 1.812 -0.702 1.231 1.00 0.00 O ATOM 659 CB LEU A 44 4.514 -1.810 2.763 1.00 0.00 C ATOM 660 CG LEU A 44 5.550 -0.689 3.015 1.00 0.00 C ATOM 661 CD1 LEU A 44 5.862 -0.537 4.501 1.00 0.00 C ATOM 662 CD2 LEU A 44 6.857 -1.018 2.293 1.00 0.00 C ATOM 0 H LEU A 44 2.233 -3.072 2.012 1.00 0.00 H new ATOM 0 HA LEU A 44 3.019 -1.170 4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.838 -2.695 3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.544 -2.062 1.703 1.00 0.00 H new ATOM 0 HG LEU A 44 5.119 0.240 2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.593 0.259 4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.948 -0.289 5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.268 -1.473 4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.582 -0.225 2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.251 -1.963 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.670 -1.101 1.222 1.00 0.00 H new ATOM 674 N VAL A 45 2.514 0.833 2.723 1.00 0.00 N ATOM 675 CA VAL A 45 2.070 2.026 1.985 1.00 0.00 C ATOM 676 C VAL A 45 3.322 2.818 1.660 1.00 0.00 C ATOM 677 O VAL A 45 3.914 3.479 2.508 1.00 0.00 O ATOM 678 CB VAL A 45 1.059 2.873 2.777 1.00 0.00 C ATOM 679 CG1 VAL A 45 0.580 4.052 1.922 1.00 0.00 C ATOM 680 CG2 VAL A 45 -0.154 2.030 3.173 1.00 0.00 C ATOM 0 H VAL A 45 2.933 1.058 3.625 1.00 0.00 H new ATOM 0 HA VAL A 45 1.540 1.730 1.080 1.00 0.00 H new ATOM 0 HB VAL A 45 1.554 3.241 3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.135 4.646 2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.433 4.674 1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.102 3.675 1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.858 2.646 3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.640 1.647 2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.170 1.195 3.794 1.00 0.00 H new ATOM 690 N ARG A 46 3.768 2.679 0.418 1.00 0.00 N ATOM 691 CA ARG A 46 5.013 3.252 -0.098 1.00 0.00 C ATOM 692 C ARG A 46 4.778 3.756 -1.498 1.00 0.00 C ATOM 693 O ARG A 46 3.742 3.501 -2.098 1.00 0.00 O ATOM 694 CB ARG A 46 6.148 2.196 0.035 1.00 0.00 C ATOM 695 CG ARG A 46 6.646 1.460 -1.227 1.00 0.00 C ATOM 696 CD ARG A 46 5.545 0.638 -1.897 1.00 0.00 C ATOM 697 NE ARG A 46 5.829 0.169 -3.271 1.00 0.00 N ATOM 698 CZ ARG A 46 6.054 0.836 -4.392 1.00 0.00 C ATOM 699 NH1 ARG A 46 6.528 2.039 -4.499 1.00 0.00 N ATOM 700 NH2 ARG A 46 5.740 0.258 -5.504 1.00 0.00 N ATOM 0 H ARG A 46 3.257 2.146 -0.286 1.00 0.00 H new ATOM 0 HA ARG A 46 5.338 4.117 0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.007 2.693 0.485 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.811 1.440 0.744 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.036 2.188 -1.938 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.473 0.803 -0.958 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.338 -0.232 -1.273 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.635 1.237 -1.920 1.00 0.00 H new ATOM 0 HE ARG A 46 5.856 -0.846 -3.372 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.768 2.569 -3.661 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.660 2.455 -5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.335 -0.678 -5.496 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.897 0.738 -6.390 1.00 0.00 H new ATOM 714 N GLU A 47 5.719 4.524 -1.997 1.00 0.00 N ATOM 715 CA GLU A 47 5.707 4.984 -3.372 1.00 0.00 C ATOM 716 C GLU A 47 7.150 4.989 -3.871 1.00 0.00 C ATOM 717 O GLU A 47 8.016 4.305 -3.313 1.00 0.00 O ATOM 718 CB GLU A 47 4.953 6.328 -3.436 1.00 0.00 C ATOM 719 CG GLU A 47 5.559 7.468 -2.588 1.00 0.00 C ATOM 720 CD GLU A 47 4.508 8.386 -1.955 1.00 0.00 C ATOM 721 OE1 GLU A 47 3.482 8.004 -1.399 1.00 0.00 O ATOM 722 OE2 GLU A 47 4.815 9.704 -1.988 1.00 0.00 O ATOM 0 H GLU A 47 6.521 4.851 -1.459 1.00 0.00 H new ATOM 0 HA GLU A 47 5.162 4.330 -4.053 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.912 6.653 -4.476 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.925 6.164 -3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.174 7.035 -1.799 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.220 8.065 -3.216 1.00 0.00 H new ATOM 730 N SER A 48 7.406 5.768 -4.898 1.00 0.00 N ATOM 731 CA SER A 48 8.715 6.003 -5.443 1.00 0.00 C ATOM 732 C SER A 48 8.912 7.502 -5.613 1.00 0.00 C ATOM 733 O SER A 48 7.972 8.284 -5.767 1.00 0.00 O ATOM 734 CB SER A 48 8.868 5.274 -6.773 1.00 0.00 C ATOM 735 OG SER A 48 10.213 5.409 -7.185 1.00 0.00 O ATOM 0 H SER A 48 6.673 6.275 -5.394 1.00 0.00 H new ATOM 0 HA SER A 48 9.477 5.618 -4.766 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.605 4.222 -6.665 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.195 5.696 -7.520 1.00 0.00 H new ATOM 0 HG SER A 48 10.626 4.523 -7.249 1.00 0.00 H new ATOM 741 N GLN A 49 10.185 7.861 -5.697 1.00 0.00 N ATOM 742 CA GLN A 49 10.660 9.202 -5.971 1.00 0.00 C ATOM 743 C GLN A 49 10.943 9.306 -7.502 1.00 0.00 C ATOM 744 O GLN A 49 11.451 10.318 -7.987 1.00 0.00 O ATOM 745 CB GLN A 49 11.795 9.504 -4.960 1.00 0.00 C ATOM 746 CG GLN A 49 13.098 8.709 -5.156 1.00 0.00 C ATOM 747 CD GLN A 49 13.899 9.082 -6.402 1.00 0.00 C ATOM 748 OE1 GLN A 49 14.501 10.144 -6.496 1.00 0.00 O ATOM 749 NE2 GLN A 49 13.958 8.218 -7.398 1.00 0.00 N ATOM 0 H GLN A 49 10.945 7.193 -5.570 1.00 0.00 H new ATOM 0 HA GLN A 49 9.948 10.009 -5.801 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.029 10.567 -5.013 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.421 9.310 -3.955 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.730 8.853 -4.279 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.855 7.647 -5.203 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.461 7.330 -7.333 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.500 8.439 -8.233 1.00 0.00 H new ATOM 758 N ARG A 50 10.514 8.266 -8.258 1.00 0.00 N ATOM 759 CA ARG A 50 10.517 8.114 -9.724 1.00 0.00 C ATOM 760 C ARG A 50 9.117 8.464 -10.243 1.00 0.00 C ATOM 761 O ARG A 50 9.011 9.457 -10.961 1.00 0.00 O ATOM 762 CB ARG A 50 10.972 6.695 -10.129 1.00 0.00 C ATOM 763 CG ARG A 50 10.922 6.407 -11.640 1.00 0.00 C ATOM 764 CD ARG A 50 11.811 7.352 -12.459 1.00 0.00 C ATOM 765 NE ARG A 50 11.816 6.987 -13.890 1.00 0.00 N ATOM 766 CZ ARG A 50 12.460 7.613 -14.861 1.00 0.00 C ATOM 767 NH1 ARG A 50 13.197 8.666 -14.637 1.00 0.00 N ATOM 768 NH2 ARG A 50 12.380 7.187 -16.090 1.00 0.00 N ATOM 0 H ARG A 50 10.122 7.438 -7.810 1.00 0.00 H new ATOM 0 HA ARG A 50 11.236 8.795 -10.180 1.00 0.00 H new ATOM 0 HB2 ARG A 50 11.993 6.542 -9.778 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.345 5.967 -9.614 1.00 0.00 H new ATOM 0 HG2 ARG A 50 11.233 5.378 -11.819 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.892 6.493 -11.987 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.456 8.376 -12.345 1.00 0.00 H new ATOM 0 HD3 ARG A 50 12.829 7.322 -12.071 1.00 0.00 H new ATOM 0 HE ARG A 50 11.267 6.169 -14.156 1.00 0.00 H new ATOM 0 HH11 ARG A 50 13.290 9.031 -13.689 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.680 9.124 -15.410 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.817 6.365 -16.309 1.00 0.00 H new ATOM 0 HH22 ARG A 50 12.880 7.676 -16.833 1.00 0.00 H new ATOM 782 N ASN A 51 8.048 7.718 -9.893 1.00 0.00 N ATOM 783 CA ASN A 51 6.689 8.126 -10.275 1.00 0.00 C ATOM 784 C ASN A 51 6.356 9.511 -9.658 1.00 0.00 C ATOM 785 O ASN A 51 6.360 9.634 -8.431 1.00 0.00 O ATOM 786 CB ASN A 51 5.651 7.067 -9.847 1.00 0.00 C ATOM 787 CG ASN A 51 5.277 6.235 -11.054 1.00 0.00 C ATOM 788 OD1 ASN A 51 4.459 6.624 -11.876 1.00 0.00 O ATOM 789 ND2 ASN A 51 5.953 5.139 -11.256 1.00 0.00 N ATOM 0 H ASN A 51 8.101 6.851 -9.359 1.00 0.00 H new ATOM 0 HA ASN A 51 6.645 8.209 -11.361 1.00 0.00 H new ATOM 0 HB2 ASN A 51 6.062 6.431 -9.063 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.766 7.551 -9.434 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.802 4.596 -12.106 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.633 4.824 -10.564 1.00 0.00 H new ATOM 796 N PRO A 52 6.029 10.551 -10.457 1.00 0.00 N ATOM 797 CA PRO A 52 5.781 11.907 -9.939 1.00 0.00 C ATOM 798 C PRO A 52 4.419 12.044 -9.230 1.00 0.00 C ATOM 799 O PRO A 52 4.178 13.016 -8.512 1.00 0.00 O ATOM 800 CB PRO A 52 5.876 12.813 -11.171 1.00 0.00 C ATOM 801 CG PRO A 52 5.402 11.914 -12.311 1.00 0.00 C ATOM 802 CD PRO A 52 5.950 10.544 -11.914 1.00 0.00 C ATOM 0 HA PRO A 52 6.504 12.174 -9.168 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.247 13.697 -11.069 1.00 0.00 H new ATOM 0 HB3 PRO A 52 6.895 13.164 -11.334 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.315 11.906 -12.394 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.793 12.242 -13.274 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.297 9.745 -12.266 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.931 10.372 -12.357 1.00 0.00 H new ATOM 810 N GLN A 53 3.531 11.066 -9.440 1.00 0.00 N ATOM 811 CA GLN A 53 2.142 11.014 -8.970 1.00 0.00 C ATOM 812 C GLN A 53 1.876 9.714 -8.181 1.00 0.00 C ATOM 813 O GLN A 53 0.756 9.205 -8.220 1.00 0.00 O ATOM 814 CB GLN A 53 1.220 11.190 -10.197 1.00 0.00 C ATOM 815 CG GLN A 53 1.336 12.592 -10.832 1.00 0.00 C ATOM 816 CD GLN A 53 0.585 12.751 -12.156 1.00 0.00 C ATOM 817 OE1 GLN A 53 0.194 11.801 -12.824 1.00 0.00 O ATOM 818 NE2 GLN A 53 0.374 13.970 -12.608 1.00 0.00 N ATOM 0 H GLN A 53 3.780 10.236 -9.978 1.00 0.00 H new ATOM 0 HA GLN A 53 1.935 11.821 -8.267 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.468 10.436 -10.944 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.186 11.015 -9.898 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.960 13.330 -10.124 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.390 12.817 -10.997 1.00 0.00 H new ATOM 0 HE21 GLN A 53 0.691 14.776 -12.069 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.106 14.108 -13.497 1.00 0.00 H new ATOM 827 N GLY A 54 2.867 9.165 -7.450 1.00 0.00 N ATOM 828 CA GLY A 54 2.714 7.863 -6.786 1.00 0.00 C ATOM 829 C GLY A 54 2.331 7.849 -5.306 1.00 0.00 C ATOM 830 O GLY A 54 2.935 8.501 -4.462 1.00 0.00 O ATOM 0 H GLY A 54 3.777 9.604 -7.307 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.958 7.298 -7.331 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.654 7.322 -6.892 1.00 0.00 H new ATOM 834 N PHE A 55 1.278 7.069 -5.062 1.00 0.00 N ATOM 835 CA PHE A 55 0.627 6.665 -3.803 1.00 0.00 C ATOM 836 C PHE A 55 0.121 5.194 -3.898 1.00 0.00 C ATOM 837 O PHE A 55 -1.067 4.962 -4.131 1.00 0.00 O ATOM 838 CB PHE A 55 -0.530 7.643 -3.501 1.00 0.00 C ATOM 839 CG PHE A 55 -0.164 9.118 -3.500 1.00 0.00 C ATOM 840 CD1 PHE A 55 0.349 9.722 -2.339 1.00 0.00 C ATOM 841 CD2 PHE A 55 -0.340 9.887 -4.670 1.00 0.00 C ATOM 842 CE1 PHE A 55 0.688 11.089 -2.346 1.00 0.00 C ATOM 843 CE2 PHE A 55 0.006 11.250 -4.681 1.00 0.00 C ATOM 844 CZ PHE A 55 0.518 11.851 -3.516 1.00 0.00 C ATOM 0 H PHE A 55 0.790 6.644 -5.850 1.00 0.00 H new ATOM 0 HA PHE A 55 1.346 6.707 -2.985 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -1.317 7.484 -4.238 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.949 7.391 -2.527 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.483 9.137 -1.441 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.742 9.427 -5.561 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.079 11.553 -1.452 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.121 11.834 -5.581 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.781 12.899 -3.520 1.00 0.00 H new ATOM 854 N VAL A 56 0.985 4.181 -3.762 1.00 0.00 N ATOM 855 CA VAL A 56 0.685 2.742 -3.946 1.00 0.00 C ATOM 856 C VAL A 56 0.426 2.007 -2.621 1.00 0.00 C ATOM 857 O VAL A 56 1.055 2.248 -1.589 1.00 0.00 O ATOM 858 CB VAL A 56 1.792 1.994 -4.809 1.00 0.00 C ATOM 859 CG1 VAL A 56 2.966 2.899 -5.245 1.00 0.00 C ATOM 860 CG2 VAL A 56 2.521 0.904 -4.011 1.00 0.00 C ATOM 0 H VAL A 56 1.960 4.342 -3.509 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.246 2.713 -4.512 1.00 0.00 H new ATOM 0 HB VAL A 56 1.210 1.620 -5.652 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.678 2.315 -5.829 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.586 3.721 -5.852 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.464 3.300 -4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.266 0.425 -4.646 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.014 1.353 -3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.801 0.160 -3.671 1.00 0.00 H new ATOM 870 N LEU A 57 -0.528 1.075 -2.684 1.00 0.00 N ATOM 871 CA LEU A 57 -0.842 0.129 -1.614 1.00 0.00 C ATOM 872 C LEU A 57 -0.110 -1.138 -2.094 1.00 0.00 C ATOM 873 O LEU A 57 -0.223 -1.482 -3.272 1.00 0.00 O ATOM 874 CB LEU A 57 -2.365 0.015 -1.411 1.00 0.00 C ATOM 875 CG LEU A 57 -2.787 -0.672 -0.100 1.00 0.00 C ATOM 876 CD1 LEU A 57 -4.300 -0.567 0.078 1.00 0.00 C ATOM 877 CD2 LEU A 57 -2.420 -2.157 -0.079 1.00 0.00 C ATOM 0 H LEU A 57 -1.120 0.955 -3.506 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.514 0.404 -0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.798 1.015 -1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.790 -0.538 -2.249 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.255 -0.164 0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.592 -1.055 1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.590 0.483 0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.800 -1.054 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.738 -2.597 0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.919 -2.667 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.341 -2.267 -0.185 1.00 0.00 H new ATOM 889 N SER A 58 0.690 -1.806 -1.262 1.00 0.00 N ATOM 890 CA SER A 58 1.514 -2.944 -1.706 1.00 0.00 C ATOM 891 C SER A 58 1.249 -4.132 -0.803 1.00 0.00 C ATOM 892 O SER A 58 1.545 -4.069 0.387 1.00 0.00 O ATOM 893 CB SER A 58 2.984 -2.528 -1.781 1.00 0.00 C ATOM 894 OG SER A 58 3.414 -1.930 -0.577 1.00 0.00 O ATOM 0 H SER A 58 0.789 -1.582 -0.272 1.00 0.00 H new ATOM 0 HA SER A 58 1.244 -3.254 -2.715 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.600 -3.401 -1.995 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.124 -1.829 -2.606 1.00 0.00 H new ATOM 0 HG SER A 58 2.634 -1.669 -0.044 1.00 0.00 H new ATOM 900 N LEU A 59 0.778 -5.234 -1.384 1.00 0.00 N ATOM 901 CA LEU A 59 0.318 -6.419 -0.653 1.00 0.00 C ATOM 902 C LEU A 59 1.399 -7.490 -0.534 1.00 0.00 C ATOM 903 O LEU A 59 2.252 -7.615 -1.410 1.00 0.00 O ATOM 904 CB LEU A 59 -0.919 -6.962 -1.401 1.00 0.00 C ATOM 905 CG LEU A 59 -2.110 -5.983 -1.481 1.00 0.00 C ATOM 906 CD1 LEU A 59 -3.255 -6.655 -2.222 1.00 0.00 C ATOM 907 CD2 LEU A 59 -2.656 -5.556 -0.123 1.00 0.00 C ATOM 0 H LEU A 59 0.703 -5.333 -2.396 1.00 0.00 H new ATOM 0 HA LEU A 59 0.068 -6.142 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.623 -7.235 -2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.251 -7.876 -0.909 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.731 -5.096 -1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.101 -5.970 -2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.931 -6.922 -3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.556 -7.556 -1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.490 -4.869 -0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.999 -6.434 0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.870 -5.059 0.445 1.00 0.00 H new ATOM 919 N CYS A 60 1.346 -8.290 0.537 1.00 0.00 N ATOM 920 CA CYS A 60 2.399 -9.282 0.822 1.00 0.00 C ATOM 921 C CYS A 60 1.706 -10.626 0.749 1.00 0.00 C ATOM 922 O CYS A 60 1.497 -11.301 1.753 1.00 0.00 O ATOM 923 CB CYS A 60 3.043 -8.981 2.172 1.00 0.00 C ATOM 924 SG CYS A 60 4.436 -10.083 2.518 1.00 0.00 S ATOM 0 H CYS A 60 0.589 -8.273 1.221 1.00 0.00 H new ATOM 0 HA CYS A 60 3.226 -9.262 0.112 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.386 -7.947 2.188 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.297 -9.081 2.960 1.00 0.00 H new ATOM 0 HG CYS A 60 5.373 -9.888 1.638 1.00 0.00 H new ATOM 930 N HIS A 61 1.254 -10.946 -0.464 1.00 0.00 N ATOM 931 CA HIS A 61 0.427 -12.109 -0.692 1.00 0.00 C ATOM 932 C HIS A 61 1.186 -13.441 -0.811 1.00 0.00 C ATOM 933 O HIS A 61 2.414 -13.520 -0.786 1.00 0.00 O ATOM 934 CB HIS A 61 -0.524 -11.705 -1.830 1.00 0.00 C ATOM 935 CG HIS A 61 -1.235 -12.762 -2.629 1.00 0.00 C ATOM 936 ND1 HIS A 61 -2.183 -13.642 -2.113 1.00 0.00 N ATOM 937 CD2 HIS A 61 -1.100 -12.985 -3.966 1.00 0.00 C ATOM 938 CE1 HIS A 61 -2.607 -14.376 -3.154 1.00 0.00 C ATOM 939 NE2 HIS A 61 -1.975 -14.006 -4.279 1.00 0.00 N ATOM 0 H HIS A 61 1.455 -10.404 -1.304 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.166 -12.376 0.183 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.287 -11.057 -1.399 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.050 -11.100 -2.532 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.440 -12.466 -4.646 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -3.352 -15.155 -3.095 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -2.117 -14.409 -5.205 1.00 0.00 H new ATOM 947 N LEU A 62 0.393 -14.489 -0.995 1.00 0.00 N ATOM 948 CA LEU A 62 0.751 -15.922 -1.027 1.00 0.00 C ATOM 949 C LEU A 62 0.918 -16.572 -2.367 1.00 0.00 C ATOM 950 O LEU A 62 0.788 -17.787 -2.535 1.00 0.00 O ATOM 951 CB LEU A 62 -0.010 -16.709 0.066 1.00 0.00 C ATOM 952 CG LEU A 62 -1.548 -16.572 0.034 1.00 0.00 C ATOM 953 CD1 LEU A 62 -2.183 -17.277 -1.165 1.00 0.00 C ATOM 954 CD2 LEU A 62 -2.172 -17.159 1.297 1.00 0.00 C ATOM 0 H LEU A 62 -0.608 -14.358 -1.140 1.00 0.00 H new ATOM 0 HA LEU A 62 1.803 -15.968 -0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.245 -17.765 -0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.347 -16.379 1.042 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.745 -15.502 -0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.265 -17.146 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.792 -16.848 -2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.945 -18.340 -1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.256 -17.051 1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.916 -18.216 1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.791 -16.630 2.171 1.00 0.00 H new ATOM 966 N GLN A 63 1.285 -15.705 -3.298 1.00 0.00 N ATOM 967 CA GLN A 63 1.688 -16.139 -4.607 1.00 0.00 C ATOM 968 C GLN A 63 2.691 -15.185 -5.229 1.00 0.00 C ATOM 969 O GLN A 63 3.698 -15.602 -5.803 1.00 0.00 O ATOM 970 CB GLN A 63 0.511 -16.332 -5.586 1.00 0.00 C ATOM 971 CG GLN A 63 -0.611 -17.328 -5.256 1.00 0.00 C ATOM 972 CD GLN A 63 -1.745 -17.265 -6.286 1.00 0.00 C ATOM 973 OE1 GLN A 63 -1.913 -16.295 -7.021 1.00 0.00 O ATOM 974 NE2 GLN A 63 -2.587 -18.273 -6.362 1.00 0.00 N ATOM 0 H GLN A 63 1.309 -14.695 -3.161 1.00 0.00 H new ATOM 0 HA GLN A 63 2.150 -17.113 -4.446 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.046 -15.357 -5.729 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.934 -16.628 -6.546 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.203 -18.338 -5.225 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.008 -17.114 -4.264 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.464 -19.087 -5.760 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.363 -18.241 -7.023 1.00 0.00 H new ATOM 983 N LYS A 64 2.395 -13.893 -5.079 1.00 0.00 N ATOM 984 CA LYS A 64 3.257 -12.798 -5.492 1.00 0.00 C ATOM 985 C LYS A 64 3.050 -11.581 -4.585 1.00 0.00 C ATOM 986 O LYS A 64 2.190 -11.610 -3.707 1.00 0.00 O ATOM 987 CB LYS A 64 2.964 -12.446 -6.970 1.00 0.00 C ATOM 988 CG LYS A 64 1.497 -12.016 -7.214 1.00 0.00 C ATOM 989 CD LYS A 64 0.705 -13.135 -7.919 1.00 0.00 C ATOM 990 CE LYS A 64 -0.787 -12.805 -8.079 1.00 0.00 C ATOM 991 NZ LYS A 64 -1.531 -13.928 -8.729 1.00 0.00 N ATOM 0 H LYS A 64 1.523 -13.577 -4.654 1.00 0.00 H new ATOM 0 HA LYS A 64 4.300 -13.103 -5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.629 -11.641 -7.284 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.192 -13.310 -7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.022 -11.773 -6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.475 -11.111 -7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.139 -13.316 -8.902 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.808 -14.059 -7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.222 -12.597 -7.101 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.898 -11.900 -8.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.479 -13.602 -9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.013 -14.245 -9.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.619 -14.719 -8.060 1.00 0.00 H new ATOM 1005 N VAL A 65 3.779 -10.498 -4.839 1.00 0.00 N ATOM 1006 CA VAL A 65 3.614 -9.206 -4.148 1.00 0.00 C ATOM 1007 C VAL A 65 3.464 -8.131 -5.234 1.00 0.00 C ATOM 1008 O VAL A 65 4.310 -8.021 -6.125 1.00 0.00 O ATOM 1009 CB VAL A 65 4.721 -8.967 -3.099 1.00 0.00 C ATOM 1010 CG1 VAL A 65 4.755 -10.133 -2.100 1.00 0.00 C ATOM 1011 CG2 VAL A 65 6.120 -8.824 -3.689 1.00 0.00 C ATOM 0 H VAL A 65 4.517 -10.485 -5.543 1.00 0.00 H new ATOM 0 HA VAL A 65 2.712 -9.180 -3.536 1.00 0.00 H new ATOM 0 HB VAL A 65 4.465 -8.022 -2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.538 -9.958 -1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.792 -10.208 -1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.959 -11.062 -2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.838 -8.659 -2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.382 -9.734 -4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.141 -7.977 -4.375 1.00 0.00 H new ATOM 1021 N LYS A 66 2.354 -7.383 -5.206 1.00 0.00 N ATOM 1022 CA LYS A 66 1.979 -6.393 -6.243 1.00 0.00 C ATOM 1023 C LYS A 66 1.607 -5.028 -5.650 1.00 0.00 C ATOM 1024 O LYS A 66 1.386 -4.916 -4.444 1.00 0.00 O ATOM 1025 CB LYS A 66 0.878 -7.028 -7.128 1.00 0.00 C ATOM 1026 CG LYS A 66 1.266 -7.026 -8.615 1.00 0.00 C ATOM 1027 CD LYS A 66 0.323 -7.911 -9.446 1.00 0.00 C ATOM 1028 CE LYS A 66 0.642 -7.762 -10.942 1.00 0.00 C ATOM 1029 NZ LYS A 66 -0.213 -8.647 -11.788 1.00 0.00 N ATOM 0 H LYS A 66 1.673 -7.445 -4.450 1.00 0.00 H new ATOM 0 HA LYS A 66 2.837 -6.162 -6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.696 -8.052 -6.802 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.055 -6.480 -6.996 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.240 -6.006 -8.997 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.291 -7.381 -8.725 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.430 -8.953 -9.145 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.713 -7.630 -9.257 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.497 -6.724 -11.242 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.692 -8.000 -11.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.035 -8.515 -12.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.056 -9.640 -11.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.214 -8.403 -11.644 1.00 0.00 H new ATOM 1043 N HIS A 67 1.510 -4.008 -6.512 1.00 0.00 N ATOM 1044 CA HIS A 67 1.303 -2.599 -6.122 1.00 0.00 C ATOM 1045 C HIS A 67 0.114 -1.905 -6.793 1.00 0.00 C ATOM 1046 O HIS A 67 -0.090 -1.981 -7.994 1.00 0.00 O ATOM 1047 CB HIS A 67 2.590 -1.837 -6.435 1.00 0.00 C ATOM 1048 CG HIS A 67 3.834 -2.497 -5.892 1.00 0.00 C ATOM 1049 ND1 HIS A 67 4.411 -2.229 -4.652 1.00 0.00 N ATOM 1050 CD2 HIS A 67 4.533 -3.504 -6.488 1.00 0.00 C ATOM 1051 CE1 HIS A 67 5.413 -3.113 -4.507 1.00 0.00 C ATOM 1052 NE2 HIS A 67 5.528 -3.868 -5.609 1.00 0.00 N ATOM 0 H HIS A 67 1.574 -4.137 -7.522 1.00 0.00 H new ATOM 0 HA HIS A 67 1.062 -2.596 -5.059 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.687 -1.734 -7.516 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.515 -0.830 -6.024 1.00 0.00 H new ATOM 0 HD2 HIS A 67 4.343 -3.933 -7.461 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.036 -3.202 -3.629 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.232 -4.589 -5.769 1.00 0.00 H new ATOM 1060 N TYR A 68 -0.609 -1.100 -6.035 1.00 0.00 N ATOM 1061 CA TYR A 68 -1.862 -0.434 -6.421 1.00 0.00 C ATOM 1062 C TYR A 68 -1.712 1.082 -6.652 1.00 0.00 C ATOM 1063 O TYR A 68 -2.200 1.869 -5.847 1.00 0.00 O ATOM 1064 CB TYR A 68 -2.891 -0.744 -5.309 1.00 0.00 C ATOM 1065 CG TYR A 68 -3.436 -2.159 -5.144 1.00 0.00 C ATOM 1066 CD1 TYR A 68 -3.065 -3.222 -5.997 1.00 0.00 C ATOM 1067 CD2 TYR A 68 -4.373 -2.394 -4.117 1.00 0.00 C ATOM 1068 CE1 TYR A 68 -3.645 -4.495 -5.834 1.00 0.00 C ATOM 1069 CE2 TYR A 68 -4.957 -3.667 -3.953 1.00 0.00 C ATOM 1070 CZ TYR A 68 -4.603 -4.715 -4.828 1.00 0.00 C ATOM 1071 OH TYR A 68 -5.195 -5.933 -4.733 1.00 0.00 O ATOM 0 H TYR A 68 -0.331 -0.874 -5.080 1.00 0.00 H new ATOM 0 HA TYR A 68 -2.192 -0.818 -7.386 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.437 -0.459 -4.360 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.745 -0.084 -5.465 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -2.335 -3.058 -6.776 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.646 -1.591 -3.449 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -3.353 -5.306 -6.485 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.672 -3.839 -3.162 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.761 -5.960 -3.933 1.00 0.00 H new ATOM 1081 N LEU A 69 -0.960 1.536 -7.667 1.00 0.00 N ATOM 1082 CA LEU A 69 -0.868 2.972 -8.009 1.00 0.00 C ATOM 1083 C LEU A 69 -0.743 3.268 -9.508 1.00 0.00 C ATOM 1084 O LEU A 69 0.058 2.598 -10.139 1.00 0.00 O ATOM 1085 CB LEU A 69 0.351 3.562 -7.323 1.00 0.00 C ATOM 1086 CG LEU A 69 0.769 5.001 -7.640 1.00 0.00 C ATOM 1087 CD1 LEU A 69 1.517 5.119 -8.967 1.00 0.00 C ATOM 1088 CD2 LEU A 69 -0.405 5.987 -7.498 1.00 0.00 C ATOM 0 H LEU A 69 -0.403 0.930 -8.270 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.805 3.416 -7.673 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.184 3.499 -6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.199 2.917 -7.552 1.00 0.00 H new ATOM 0 HG LEU A 69 1.495 5.296 -6.883 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.789 6.160 -9.140 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.420 4.510 -8.931 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.877 4.771 -9.778 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.064 6.995 -7.732 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.202 5.705 -8.186 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.781 5.960 -6.475 1.00 0.00 H new ATOM 1100 N ILE A 70 -1.486 4.233 -10.078 1.00 0.00 N ATOM 1101 CA ILE A 70 -1.277 4.702 -11.475 1.00 0.00 C ATOM 1102 C ILE A 70 -1.456 6.228 -11.631 1.00 0.00 C ATOM 1103 O ILE A 70 -0.700 6.853 -12.375 1.00 0.00 O ATOM 1104 CB ILE A 70 -2.062 3.902 -12.544 1.00 0.00 C ATOM 1105 CG1 ILE A 70 -1.464 2.479 -12.557 1.00 0.00 C ATOM 1106 CG2 ILE A 70 -1.954 4.520 -13.956 1.00 0.00 C ATOM 1107 CD1 ILE A 70 -1.790 1.599 -13.736 1.00 0.00 C ATOM 0 H ILE A 70 -2.245 4.712 -9.594 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.228 4.487 -11.678 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.122 3.908 -12.289 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.380 2.569 -12.494 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.794 1.967 -11.653 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.524 3.916 -14.662 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.353 5.534 -13.941 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.908 4.546 -14.263 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.305 0.631 -13.613 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.869 1.459 -13.798 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.432 2.070 -14.652 1.00 0.00 H new ATOM 1119 N LEU A 71 -2.407 6.841 -10.911 1.00 0.00 N ATOM 1120 CA LEU A 71 -2.765 8.263 -11.069 1.00 0.00 C ATOM 1121 C LEU A 71 -3.050 9.008 -9.744 1.00 0.00 C ATOM 1122 O LEU A 71 -3.327 8.368 -8.726 1.00 0.00 O ATOM 1123 CB LEU A 71 -3.942 8.381 -12.090 1.00 0.00 C ATOM 1124 CG LEU A 71 -4.722 7.101 -12.495 1.00 0.00 C ATOM 1125 CD1 LEU A 71 -5.655 6.606 -11.391 1.00 0.00 C ATOM 1126 CD2 LEU A 71 -5.564 7.310 -13.752 1.00 0.00 C ATOM 0 H LEU A 71 -2.955 6.362 -10.196 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.887 8.777 -11.461 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.663 9.089 -11.680 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.543 8.825 -13.002 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.950 6.355 -12.683 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.175 5.709 -11.729 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.073 6.374 -10.499 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.384 7.381 -11.156 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.090 6.387 -13.995 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.288 8.105 -13.577 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.915 7.587 -14.583 1.00 0.00 H new ATOM 1138 N PRO A 72 -2.979 10.359 -9.750 1.00 0.00 N ATOM 1139 CA PRO A 72 -3.214 11.206 -8.577 1.00 0.00 C ATOM 1140 C PRO A 72 -4.714 11.351 -8.270 1.00 0.00 C ATOM 1141 O PRO A 72 -5.567 10.769 -8.949 1.00 0.00 O ATOM 1142 CB PRO A 72 -2.550 12.544 -8.934 1.00 0.00 C ATOM 1143 CG PRO A 72 -2.803 12.650 -10.436 1.00 0.00 C ATOM 1144 CD PRO A 72 -2.672 11.201 -10.904 1.00 0.00 C ATOM 0 HA PRO A 72 -2.795 10.781 -7.665 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.995 13.376 -8.388 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.485 12.543 -8.701 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.791 13.057 -10.652 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.077 13.300 -10.924 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.358 10.996 -11.726 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.665 11.002 -11.271 1.00 0.00 H new ATOM 1152 N SER A 73 -5.055 12.135 -7.246 1.00 0.00 N ATOM 1153 CA SER A 73 -6.441 12.312 -6.790 1.00 0.00 C ATOM 1154 C SER A 73 -7.386 12.913 -7.843 1.00 0.00 C ATOM 1155 O SER A 73 -6.992 13.741 -8.669 1.00 0.00 O ATOM 1156 CB SER A 73 -6.499 13.097 -5.471 1.00 0.00 C ATOM 1157 OG SER A 73 -5.830 14.344 -5.586 1.00 0.00 O ATOM 0 H SER A 73 -4.376 12.670 -6.704 1.00 0.00 H new ATOM 0 HA SER A 73 -6.816 11.304 -6.614 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.539 13.264 -5.189 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.043 12.509 -4.674 1.00 0.00 H new ATOM 0 HG SER A 73 -5.884 14.824 -4.733 1.00 0.00 H new ATOM 1163 N GLU A 74 -8.646 12.458 -7.827 1.00 0.00 N ATOM 1164 CA GLU A 74 -9.692 12.814 -8.804 1.00 0.00 C ATOM 1165 C GLU A 74 -10.984 13.261 -8.086 1.00 0.00 C ATOM 1166 O GLU A 74 -11.023 13.328 -6.859 1.00 0.00 O ATOM 1167 CB GLU A 74 -9.958 11.598 -9.724 1.00 0.00 C ATOM 1168 CG GLU A 74 -8.713 10.948 -10.366 1.00 0.00 C ATOM 1169 CD GLU A 74 -7.943 11.873 -11.315 1.00 0.00 C ATOM 1170 OE1 GLU A 74 -8.474 12.608 -12.146 1.00 0.00 O ATOM 1171 OE2 GLU A 74 -6.588 11.812 -11.216 1.00 0.00 O ATOM 0 H GLU A 74 -8.979 11.811 -7.112 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.351 13.653 -9.410 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.482 10.838 -9.145 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.631 11.912 -10.522 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.041 10.616 -9.575 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.023 10.059 -10.915 1.00 0.00 H new ATOM 1179 N GLU A 75 -12.065 13.529 -8.830 1.00 0.00 N ATOM 1180 CA GLU A 75 -13.392 13.859 -8.266 1.00 0.00 C ATOM 1181 C GLU A 75 -14.373 12.666 -8.245 1.00 0.00 C ATOM 1182 O GLU A 75 -15.461 12.766 -7.677 1.00 0.00 O ATOM 1183 CB GLU A 75 -13.966 15.097 -8.974 1.00 0.00 C ATOM 1184 CG GLU A 75 -13.211 16.388 -8.608 1.00 0.00 C ATOM 1185 CD GLU A 75 -13.487 16.835 -7.154 1.00 0.00 C ATOM 1186 OE1 GLU A 75 -12.761 16.415 -6.216 1.00 0.00 O ATOM 1187 OE2 GLU A 75 -14.441 17.625 -6.940 1.00 0.00 O ATOM 0 H GLU A 75 -12.049 13.524 -9.850 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.250 14.101 -7.213 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -13.922 14.948 -10.053 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -15.018 15.208 -8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.141 16.231 -8.741 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -13.503 17.184 -9.293 1.00 0.00 H new ATOM 1194 N GLU A 76 -13.969 11.506 -8.785 1.00 0.00 N ATOM 1195 CA GLU A 76 -14.728 10.236 -8.747 1.00 0.00 C ATOM 1196 C GLU A 76 -14.212 9.293 -7.630 1.00 0.00 C ATOM 1197 O GLU A 76 -14.571 8.116 -7.563 1.00 0.00 O ATOM 1198 CB GLU A 76 -14.684 9.551 -10.128 1.00 0.00 C ATOM 1199 CG GLU A 76 -15.264 10.393 -11.277 1.00 0.00 C ATOM 1200 CD GLU A 76 -16.739 10.784 -11.056 1.00 0.00 C ATOM 1201 OE1 GLU A 76 -17.584 9.894 -10.791 1.00 0.00 O ATOM 1202 OE2 GLU A 76 -17.077 11.989 -11.178 1.00 0.00 O ATOM 0 H GLU A 76 -13.079 11.418 -9.276 1.00 0.00 H new ATOM 0 HA GLU A 76 -15.766 10.467 -8.509 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -13.649 9.302 -10.363 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.233 8.611 -10.071 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -14.668 11.298 -11.393 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.178 9.834 -12.209 1.00 0.00 H new ATOM 1209 N GLY A 77 -13.346 9.821 -6.760 1.00 0.00 N ATOM 1210 CA GLY A 77 -12.661 9.154 -5.651 1.00 0.00 C ATOM 1211 C GLY A 77 -11.756 10.154 -4.929 1.00 0.00 C ATOM 1212 O GLY A 77 -11.952 11.361 -5.062 1.00 0.00 O ATOM 0 H GLY A 77 -13.086 10.805 -6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.391 8.741 -4.955 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.070 8.318 -6.026 1.00 0.00 H new ATOM 1216 N ARG A 78 -10.786 9.684 -4.143 1.00 0.00 N ATOM 1217 CA ARG A 78 -9.745 10.493 -3.462 1.00 0.00 C ATOM 1218 C ARG A 78 -8.407 10.081 -4.074 1.00 0.00 C ATOM 1219 O ARG A 78 -8.298 10.215 -5.288 1.00 0.00 O ATOM 1220 CB ARG A 78 -9.864 10.367 -1.931 1.00 0.00 C ATOM 1221 CG ARG A 78 -11.242 10.728 -1.344 1.00 0.00 C ATOM 1222 CD ARG A 78 -11.568 12.238 -1.331 1.00 0.00 C ATOM 1223 NE ARG A 78 -11.814 12.773 -2.685 1.00 0.00 N ATOM 1224 CZ ARG A 78 -11.955 14.026 -3.081 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -11.986 15.024 -2.247 1.00 0.00 N ATOM 1226 NH2 ARG A 78 -12.062 14.275 -4.355 1.00 0.00 N ATOM 0 H ARG A 78 -10.691 8.687 -3.948 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.861 11.565 -3.622 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.624 9.342 -1.648 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.112 11.009 -1.471 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.012 10.210 -1.916 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.296 10.351 -0.323 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.447 12.412 -0.710 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.741 12.781 -0.873 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.886 12.073 -3.423 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.900 14.854 -1.245 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.096 15.976 -2.595 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.036 13.509 -5.028 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.172 15.236 -4.679 1.00 0.00 H new ATOM 1240 N LEU A 79 -7.404 9.604 -3.319 1.00 0.00 N ATOM 1241 CA LEU A 79 -6.155 9.070 -3.913 1.00 0.00 C ATOM 1242 C LEU A 79 -6.608 7.915 -4.828 1.00 0.00 C ATOM 1243 O LEU A 79 -7.125 6.922 -4.326 1.00 0.00 O ATOM 1244 CB LEU A 79 -5.182 8.584 -2.817 1.00 0.00 C ATOM 1245 CG LEU A 79 -4.594 9.683 -1.913 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -3.673 9.042 -0.875 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -3.780 10.719 -2.693 1.00 0.00 C ATOM 0 H LEU A 79 -7.428 9.575 -2.300 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.608 9.830 -4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.703 7.862 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.359 8.054 -3.296 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.436 10.194 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.254 9.817 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.242 8.337 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.865 8.515 -1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.390 11.469 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.951 10.224 -3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.419 11.202 -3.432 1.00 0.00 H new ATOM 1259 N TYR A 80 -6.445 8.031 -6.150 1.00 0.00 N ATOM 1260 CA TYR A 80 -7.005 7.051 -7.088 1.00 0.00 C ATOM 1261 C TYR A 80 -6.221 5.753 -7.336 1.00 0.00 C ATOM 1262 O TYR A 80 -5.078 5.762 -7.796 1.00 0.00 O ATOM 1263 CB TYR A 80 -7.395 7.768 -8.380 1.00 0.00 C ATOM 1264 CG TYR A 80 -8.585 7.146 -9.092 1.00 0.00 C ATOM 1265 CD1 TYR A 80 -8.469 5.919 -9.774 1.00 0.00 C ATOM 1266 CD2 TYR A 80 -9.834 7.797 -9.042 1.00 0.00 C ATOM 1267 CE1 TYR A 80 -9.582 5.362 -10.433 1.00 0.00 C ATOM 1268 CE2 TYR A 80 -10.946 7.253 -9.710 1.00 0.00 C ATOM 1269 CZ TYR A 80 -10.822 6.035 -10.411 1.00 0.00 C ATOM 1270 OH TYR A 80 -11.911 5.496 -11.022 1.00 0.00 O ATOM 0 H TYR A 80 -5.931 8.792 -6.594 1.00 0.00 H new ATOM 0 HA TYR A 80 -7.882 6.648 -6.581 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -7.624 8.809 -8.152 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.540 7.770 -9.056 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -7.521 5.402 -9.792 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.938 8.718 -8.488 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -9.487 4.421 -10.954 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.895 7.768 -9.686 1.00 0.00 H new ATOM 0 HH TYR A 80 -11.845 4.518 -11.005 1.00 0.00 H new ATOM 1280 N PHE A 81 -6.867 4.621 -7.032 1.00 0.00 N ATOM 1281 CA PHE A 81 -6.375 3.270 -7.300 1.00 0.00 C ATOM 1282 C PHE A 81 -7.383 2.162 -7.528 1.00 0.00 C ATOM 1283 O PHE A 81 -8.575 2.310 -7.303 1.00 0.00 O ATOM 1284 CB PHE A 81 -5.137 2.843 -6.472 1.00 0.00 C ATOM 1285 CG PHE A 81 -5.190 3.047 -4.964 1.00 0.00 C ATOM 1286 CD1 PHE A 81 -4.977 4.323 -4.404 1.00 0.00 C ATOM 1287 CD2 PHE A 81 -5.356 1.943 -4.108 1.00 0.00 C ATOM 1288 CE1 PHE A 81 -4.969 4.497 -3.008 1.00 0.00 C ATOM 1289 CE2 PHE A 81 -5.340 2.112 -2.711 1.00 0.00 C ATOM 1290 CZ PHE A 81 -5.154 3.391 -2.159 1.00 0.00 C ATOM 0 H PHE A 81 -7.779 4.624 -6.576 1.00 0.00 H new ATOM 0 HA PHE A 81 -6.012 3.419 -8.317 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -4.956 1.785 -6.661 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -4.274 3.388 -6.854 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.819 5.173 -5.051 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.497 0.957 -4.527 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -4.821 5.481 -2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.471 1.258 -2.063 1.00 0.00 H new ATOM 0 HZ PHE A 81 -5.153 3.524 -1.087 1.00 0.00 H new ATOM 1300 N SER A 82 -6.890 1.074 -8.111 1.00 0.00 N ATOM 1301 CA SER A 82 -7.651 -0.133 -8.353 1.00 0.00 C ATOM 1302 C SER A 82 -6.760 -1.390 -8.351 1.00 0.00 C ATOM 1303 O SER A 82 -5.796 -1.528 -7.604 1.00 0.00 O ATOM 1304 CB SER A 82 -8.549 0.057 -9.593 1.00 0.00 C ATOM 1305 OG SER A 82 -7.784 0.241 -10.759 1.00 0.00 O ATOM 0 H SER A 82 -5.925 1.012 -8.434 1.00 0.00 H new ATOM 0 HA SER A 82 -8.333 -0.318 -7.523 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.194 -0.813 -9.713 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.200 0.918 -9.444 1.00 0.00 H new ATOM 0 HG SER A 82 -8.381 0.357 -11.527 1.00 0.00 H new ATOM 1311 N MET A 83 -7.174 -2.312 -9.194 1.00 0.00 N ATOM 1312 CA MET A 83 -6.774 -3.681 -9.470 1.00 0.00 C ATOM 1313 C MET A 83 -7.195 -3.980 -10.923 1.00 0.00 C ATOM 1314 O MET A 83 -7.705 -3.097 -11.619 1.00 0.00 O ATOM 1315 CB MET A 83 -7.553 -4.655 -8.568 1.00 0.00 C ATOM 1316 CG MET A 83 -7.318 -4.501 -7.077 1.00 0.00 C ATOM 1317 SD MET A 83 -8.291 -5.707 -6.131 1.00 0.00 S ATOM 1318 CE MET A 83 -8.618 -4.740 -4.637 1.00 0.00 C ATOM 0 H MET A 83 -7.944 -2.069 -9.817 1.00 0.00 H new ATOM 0 HA MET A 83 -5.704 -3.798 -9.301 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.618 -4.530 -8.764 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.293 -5.674 -8.855 1.00 0.00 H new ATOM 0 HG2 MET A 83 -6.258 -4.632 -6.858 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.585 -3.491 -6.767 1.00 0.00 H new ATOM 0 HE1 MET A 83 -9.312 -5.284 -3.996 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.684 -4.572 -4.101 1.00 0.00 H new ATOM 0 HE3 MET A 83 -9.056 -3.781 -4.913 1.00 0.00 H new ATOM 1328 N ASP A 84 -7.088 -5.243 -11.349 1.00 0.00 N ATOM 1329 CA ASP A 84 -7.611 -5.636 -12.667 1.00 0.00 C ATOM 1330 C ASP A 84 -9.162 -5.585 -12.648 1.00 0.00 C ATOM 1331 O ASP A 84 -9.784 -5.269 -13.665 1.00 0.00 O ATOM 1332 CB ASP A 84 -7.078 -7.011 -13.085 1.00 0.00 C ATOM 1333 CG ASP A 84 -7.495 -7.364 -14.523 1.00 0.00 C ATOM 1334 OD1 ASP A 84 -6.963 -6.744 -15.475 1.00 0.00 O ATOM 1335 OD2 ASP A 84 -8.333 -8.279 -14.707 1.00 0.00 O ATOM 0 H ASP A 84 -6.655 -5.997 -10.816 1.00 0.00 H new ATOM 0 HA ASP A 84 -7.260 -4.929 -13.419 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -5.991 -7.020 -13.008 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -7.452 -7.771 -12.399 1.00 0.00 H new ATOM 1340 N ASP A 85 -9.789 -5.841 -11.482 1.00 0.00 N ATOM 1341 CA ASP A 85 -11.240 -5.723 -11.252 1.00 0.00 C ATOM 1342 C ASP A 85 -11.544 -5.127 -9.852 1.00 0.00 C ATOM 1343 O ASP A 85 -12.114 -5.795 -8.985 1.00 0.00 O ATOM 1344 CB ASP A 85 -11.901 -7.093 -11.497 1.00 0.00 C ATOM 1345 CG ASP A 85 -13.439 -7.042 -11.413 1.00 0.00 C ATOM 1346 OD1 ASP A 85 -14.048 -6.036 -11.854 1.00 0.00 O ATOM 1347 OD2 ASP A 85 -14.053 -8.032 -10.946 1.00 0.00 O ATOM 0 H ASP A 85 -9.283 -6.145 -10.650 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.674 -5.017 -11.960 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.608 -7.461 -12.480 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.526 -7.808 -10.764 1.00 0.00 H new ATOM 1352 N GLY A 86 -11.088 -3.888 -9.594 1.00 0.00 N ATOM 1353 CA GLY A 86 -11.196 -3.217 -8.280 1.00 0.00 C ATOM 1354 C GLY A 86 -11.528 -1.716 -8.306 1.00 0.00 C ATOM 1355 O GLY A 86 -11.606 -1.093 -9.365 1.00 0.00 O ATOM 0 H GLY A 86 -10.627 -3.314 -10.300 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -11.963 -3.727 -7.698 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.253 -3.350 -7.750 1.00 0.00 H new ATOM 1359 N GLN A 87 -11.732 -1.138 -7.112 1.00 0.00 N ATOM 1360 CA GLN A 87 -12.118 0.272 -6.881 1.00 0.00 C ATOM 1361 C GLN A 87 -11.426 0.897 -5.644 1.00 0.00 C ATOM 1362 O GLN A 87 -12.078 1.515 -4.808 1.00 0.00 O ATOM 1363 CB GLN A 87 -13.658 0.355 -6.818 1.00 0.00 C ATOM 1364 CG GLN A 87 -14.293 -0.539 -5.735 1.00 0.00 C ATOM 1365 CD GLN A 87 -15.783 -0.238 -5.605 1.00 0.00 C ATOM 1366 OE1 GLN A 87 -16.252 0.334 -4.630 1.00 0.00 O ATOM 1367 NE2 GLN A 87 -16.580 -0.586 -6.595 1.00 0.00 N ATOM 0 H GLN A 87 -11.629 -1.659 -6.241 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.764 0.877 -7.715 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.948 1.390 -6.636 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -14.066 0.076 -7.789 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.148 -1.589 -5.990 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.797 -0.372 -4.779 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -16.200 -1.063 -7.412 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -17.577 -0.378 -6.544 1.00 0.00 H new ATOM 1376 N THR A 88 -10.106 0.735 -5.492 1.00 0.00 N ATOM 1377 CA THR A 88 -9.345 1.167 -4.289 1.00 0.00 C ATOM 1378 C THR A 88 -9.018 2.638 -4.038 1.00 0.00 C ATOM 1379 O THR A 88 -8.516 3.007 -2.983 1.00 0.00 O ATOM 1380 CB THR A 88 -8.264 0.144 -3.921 1.00 0.00 C ATOM 1381 OG1 THR A 88 -7.608 -0.255 -5.103 1.00 0.00 O ATOM 1382 CG2 THR A 88 -8.904 -1.114 -3.337 1.00 0.00 C ATOM 0 H THR A 88 -9.520 0.297 -6.202 1.00 0.00 H new ATOM 0 HA THR A 88 -10.119 1.157 -3.521 1.00 0.00 H new ATOM 0 HB THR A 88 -7.583 0.598 -3.201 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.814 -0.781 -4.875 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.126 -1.832 -3.080 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.467 -0.853 -2.441 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.576 -1.555 -4.073 1.00 0.00 H new ATOM 1390 N ARG A 89 -9.429 3.453 -4.991 1.00 0.00 N ATOM 1391 CA ARG A 89 -9.462 4.932 -5.129 1.00 0.00 C ATOM 1392 C ARG A 89 -9.947 5.831 -3.957 1.00 0.00 C ATOM 1393 O ARG A 89 -10.555 6.872 -4.208 1.00 0.00 O ATOM 1394 CB ARG A 89 -10.269 5.241 -6.420 1.00 0.00 C ATOM 1395 CG ARG A 89 -11.758 4.846 -6.302 1.00 0.00 C ATOM 1396 CD ARG A 89 -12.533 5.166 -7.581 1.00 0.00 C ATOM 1397 NE ARG A 89 -13.959 4.812 -7.453 1.00 0.00 N ATOM 1398 CZ ARG A 89 -14.874 4.882 -8.406 1.00 0.00 C ATOM 1399 NH1 ARG A 89 -14.584 5.214 -9.633 1.00 0.00 N ATOM 1400 NH2 ARG A 89 -16.119 4.596 -8.142 1.00 0.00 N ATOM 0 H ARG A 89 -9.816 3.037 -5.838 1.00 0.00 H new ATOM 0 HA ARG A 89 -8.410 5.216 -5.149 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -10.196 6.306 -6.643 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -9.822 4.709 -7.259 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -11.835 3.780 -6.087 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -12.209 5.374 -5.462 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -12.440 6.228 -7.808 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.096 4.622 -8.418 1.00 0.00 H new ATOM 0 HE ARG A 89 -14.270 4.481 -6.540 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -13.621 5.432 -9.888 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -15.320 5.256 -10.338 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -16.389 4.318 -7.199 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -16.822 4.651 -8.879 1.00 0.00 H new ATOM 1414 N PHE A 90 -9.676 5.509 -2.696 1.00 0.00 N ATOM 1415 CA PHE A 90 -10.076 6.277 -1.505 1.00 0.00 C ATOM 1416 C PHE A 90 -8.866 6.624 -0.616 1.00 0.00 C ATOM 1417 O PHE A 90 -7.815 5.994 -0.711 1.00 0.00 O ATOM 1418 CB PHE A 90 -11.164 5.495 -0.753 1.00 0.00 C ATOM 1419 CG PHE A 90 -12.417 5.274 -1.583 1.00 0.00 C ATOM 1420 CD1 PHE A 90 -13.349 6.319 -1.737 1.00 0.00 C ATOM 1421 CD2 PHE A 90 -12.631 4.045 -2.240 1.00 0.00 C ATOM 1422 CE1 PHE A 90 -14.493 6.135 -2.538 1.00 0.00 C ATOM 1423 CE2 PHE A 90 -13.775 3.861 -3.038 1.00 0.00 C ATOM 1424 CZ PHE A 90 -14.705 4.904 -3.187 1.00 0.00 C ATOM 0 H PHE A 90 -9.148 4.669 -2.458 1.00 0.00 H new ATOM 0 HA PHE A 90 -10.492 7.237 -1.812 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -10.763 4.529 -0.446 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -11.428 6.034 0.157 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -13.186 7.264 -1.240 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -11.916 3.243 -2.130 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -15.207 6.937 -2.654 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -13.939 2.917 -3.537 1.00 0.00 H new ATOM 0 HZ PHE A 90 -15.583 4.761 -3.800 1.00 0.00 H new ATOM 1434 N THR A 91 -9.002 7.629 0.262 1.00 0.00 N ATOM 1435 CA THR A 91 -7.899 8.149 1.102 1.00 0.00 C ATOM 1436 C THR A 91 -7.267 7.042 1.953 1.00 0.00 C ATOM 1437 O THR A 91 -7.972 6.253 2.583 1.00 0.00 O ATOM 1438 CB THR A 91 -8.398 9.297 1.999 1.00 0.00 C ATOM 1439 OG1 THR A 91 -9.043 10.257 1.198 1.00 0.00 O ATOM 1440 CG2 THR A 91 -7.280 10.032 2.739 1.00 0.00 C ATOM 0 H THR A 91 -9.887 8.112 0.415 1.00 0.00 H new ATOM 0 HA THR A 91 -7.129 8.534 0.433 1.00 0.00 H new ATOM 0 HB THR A 91 -9.056 8.836 2.736 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.365 10.991 1.762 1.00 0.00 H new ATOM 0 HG21 THR A 91 -7.709 10.826 3.350 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.745 9.331 3.379 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.588 10.464 2.016 1.00 0.00 H new ATOM 1448 N ASP A 92 -5.934 7.003 2.019 1.00 0.00 N ATOM 1449 CA ASP A 92 -5.201 5.929 2.696 1.00 0.00 C ATOM 1450 C ASP A 92 -5.432 5.914 4.208 1.00 0.00 C ATOM 1451 O ASP A 92 -5.635 4.847 4.783 1.00 0.00 O ATOM 1452 CB ASP A 92 -3.712 6.054 2.372 1.00 0.00 C ATOM 1453 CG ASP A 92 -2.938 4.905 3.034 1.00 0.00 C ATOM 1454 OD1 ASP A 92 -3.043 3.761 2.533 1.00 0.00 O ATOM 1455 OD2 ASP A 92 -2.242 5.162 4.046 1.00 0.00 O ATOM 0 H ASP A 92 -5.332 7.715 1.605 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.583 4.978 2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.562 6.031 1.293 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.332 7.012 2.727 1.00 0.00 H new ATOM 1460 N LEU A 93 -5.487 7.092 4.847 1.00 0.00 N ATOM 1461 CA LEU A 93 -5.723 7.187 6.288 1.00 0.00 C ATOM 1462 C LEU A 93 -7.084 6.587 6.685 1.00 0.00 C ATOM 1463 O LEU A 93 -7.172 5.826 7.648 1.00 0.00 O ATOM 1464 CB LEU A 93 -5.583 8.660 6.727 1.00 0.00 C ATOM 1465 CG LEU A 93 -5.764 8.899 8.240 1.00 0.00 C ATOM 1466 CD1 LEU A 93 -4.718 8.163 9.081 1.00 0.00 C ATOM 1467 CD2 LEU A 93 -5.650 10.394 8.538 1.00 0.00 C ATOM 0 H LEU A 93 -5.370 7.993 4.383 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.974 6.594 6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.598 9.022 6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.318 9.258 6.188 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.748 8.514 8.506 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.892 8.366 10.138 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.795 7.091 8.900 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.721 8.507 8.805 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.778 10.563 9.607 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.668 10.753 8.229 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.422 10.934 7.991 1.00 0.00 H new ATOM 1479 N LEU A 94 -8.131 6.865 5.897 1.00 0.00 N ATOM 1480 CA LEU A 94 -9.470 6.300 6.107 1.00 0.00 C ATOM 1481 C LEU A 94 -9.487 4.789 5.835 1.00 0.00 C ATOM 1482 O LEU A 94 -10.059 4.026 6.614 1.00 0.00 O ATOM 1483 CB LEU A 94 -10.500 7.031 5.221 1.00 0.00 C ATOM 1484 CG LEU A 94 -10.639 8.544 5.474 1.00 0.00 C ATOM 1485 CD1 LEU A 94 -11.699 9.123 4.537 1.00 0.00 C ATOM 1486 CD2 LEU A 94 -11.041 8.871 6.914 1.00 0.00 C ATOM 0 H LEU A 94 -8.073 7.490 5.093 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.742 6.447 7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.228 6.879 4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -11.474 6.565 5.367 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.660 8.985 5.289 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -11.797 10.194 4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -11.401 8.954 3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -12.655 8.635 4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -11.123 9.951 7.032 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -12.002 8.407 7.138 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.285 8.488 7.599 1.00 0.00 H new ATOM 1498 N GLN A 95 -8.818 4.329 4.773 1.00 0.00 N ATOM 1499 CA GLN A 95 -8.748 2.928 4.425 1.00 0.00 C ATOM 1500 C GLN A 95 -7.945 2.088 5.422 1.00 0.00 C ATOM 1501 O GLN A 95 -8.303 0.936 5.659 1.00 0.00 O ATOM 1502 CB GLN A 95 -8.174 2.841 3.009 1.00 0.00 C ATOM 1503 CG GLN A 95 -9.245 3.012 1.923 1.00 0.00 C ATOM 1504 CD GLN A 95 -8.781 2.453 0.580 1.00 0.00 C ATOM 1505 OE1 GLN A 95 -9.072 1.318 0.224 1.00 0.00 O ATOM 1506 NE2 GLN A 95 -8.049 3.203 -0.210 1.00 0.00 N ATOM 0 H GLN A 95 -8.308 4.935 4.131 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.750 2.500 4.464 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -7.410 3.608 2.884 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.682 1.877 2.880 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -10.160 2.506 2.231 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -9.487 4.069 1.813 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -7.799 4.150 0.074 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -7.730 2.839 -1.108 1.00 0.00 H new ATOM 1515 N LEU A 96 -6.905 2.649 6.040 1.00 0.00 N ATOM 1516 CA LEU A 96 -6.105 1.961 7.049 1.00 0.00 C ATOM 1517 C LEU A 96 -6.775 1.972 8.426 1.00 0.00 C ATOM 1518 O LEU A 96 -6.825 0.930 9.077 1.00 0.00 O ATOM 1519 CB LEU A 96 -4.680 2.553 7.024 1.00 0.00 C ATOM 1520 CG LEU A 96 -3.640 1.866 7.936 1.00 0.00 C ATOM 1521 CD1 LEU A 96 -2.229 2.168 7.423 1.00 0.00 C ATOM 1522 CD2 LEU A 96 -3.695 2.356 9.388 1.00 0.00 C ATOM 0 H LEU A 96 -6.593 3.602 5.851 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.029 0.900 6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.312 2.518 5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.741 3.604 7.305 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.875 0.802 7.912 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.496 1.683 8.067 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.123 1.792 6.406 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.062 3.245 7.430 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.940 1.835 9.977 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.502 3.428 9.418 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.682 2.153 9.803 1.00 0.00 H new ATOM 1534 N VAL A 97 -7.336 3.100 8.870 1.00 0.00 N ATOM 1535 CA VAL A 97 -8.011 3.164 10.177 1.00 0.00 C ATOM 1536 C VAL A 97 -9.315 2.362 10.142 1.00 0.00 C ATOM 1537 O VAL A 97 -9.453 1.377 10.866 1.00 0.00 O ATOM 1538 CB VAL A 97 -8.211 4.623 10.643 1.00 0.00 C ATOM 1539 CG1 VAL A 97 -9.031 4.717 11.937 1.00 0.00 C ATOM 1540 CG2 VAL A 97 -6.856 5.290 10.918 1.00 0.00 C ATOM 0 H VAL A 97 -7.339 3.978 8.351 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.369 2.700 10.925 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.746 5.125 9.837 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.143 5.763 12.222 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -10.015 4.277 11.777 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -8.518 4.177 12.733 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.016 6.317 11.245 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.331 4.738 11.698 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.258 5.288 10.007 1.00 0.00 H new ATOM 1550 N GLU A 98 -10.275 2.770 9.309 1.00 0.00 N ATOM 1551 CA GLU A 98 -11.588 2.127 9.189 1.00 0.00 C ATOM 1552 C GLU A 98 -11.641 0.909 8.272 1.00 0.00 C ATOM 1553 O GLU A 98 -11.986 -0.165 8.743 1.00 0.00 O ATOM 1554 CB GLU A 98 -12.620 3.195 8.778 1.00 0.00 C ATOM 1555 CG GLU A 98 -14.064 2.693 8.689 1.00 0.00 C ATOM 1556 CD GLU A 98 -14.667 2.430 10.083 1.00 0.00 C ATOM 1557 OE1 GLU A 98 -14.511 1.308 10.623 1.00 0.00 O ATOM 1558 OE2 GLU A 98 -15.303 3.352 10.653 1.00 0.00 O ATOM 0 H GLU A 98 -10.161 3.571 8.687 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.826 1.712 10.169 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -12.579 4.015 9.495 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.332 3.604 7.810 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -14.672 3.429 8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -14.094 1.776 8.101 1.00 0.00 H new ATOM 1565 N PHE A 99 -11.276 1.020 6.995 1.00 0.00 N ATOM 1566 CA PHE A 99 -11.458 -0.084 6.035 1.00 0.00 C ATOM 1567 C PHE A 99 -10.418 -1.217 6.003 1.00 0.00 C ATOM 1568 O PHE A 99 -10.335 -1.898 4.983 1.00 0.00 O ATOM 1569 CB PHE A 99 -11.869 0.462 4.654 1.00 0.00 C ATOM 1570 CG PHE A 99 -13.031 1.444 4.703 1.00 0.00 C ATOM 1571 CD1 PHE A 99 -14.342 0.961 4.887 1.00 0.00 C ATOM 1572 CD2 PHE A 99 -12.812 2.833 4.601 1.00 0.00 C ATOM 1573 CE1 PHE A 99 -15.423 1.859 4.970 1.00 0.00 C ATOM 1574 CE2 PHE A 99 -13.893 3.730 4.686 1.00 0.00 C ATOM 1575 CZ PHE A 99 -15.199 3.243 4.871 1.00 0.00 C ATOM 0 H PHE A 99 -10.853 1.858 6.596 1.00 0.00 H new ATOM 0 HA PHE A 99 -12.288 -0.656 6.449 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -11.010 0.953 4.197 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -12.139 -0.374 4.009 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -14.518 -0.102 4.965 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -11.810 3.210 4.457 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -16.426 1.484 5.110 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -13.719 4.793 4.609 1.00 0.00 H new ATOM 0 HZ PHE A 99 -16.029 3.931 4.937 1.00 0.00 H new ATOM 1585 N HIS A 100 -9.630 -1.476 7.059 1.00 0.00 N ATOM 1586 CA HIS A 100 -8.635 -2.576 7.041 1.00 0.00 C ATOM 1587 C HIS A 100 -9.244 -3.964 7.293 1.00 0.00 C ATOM 1588 O HIS A 100 -8.914 -4.915 6.588 1.00 0.00 O ATOM 1589 CB HIS A 100 -7.449 -2.277 7.986 1.00 0.00 C ATOM 1590 CG HIS A 100 -7.750 -2.351 9.467 1.00 0.00 C ATOM 1591 ND1 HIS A 100 -7.968 -1.277 10.310 1.00 0.00 N ATOM 1592 CD2 HIS A 100 -7.772 -3.484 10.238 1.00 0.00 C ATOM 1593 CE1 HIS A 100 -8.147 -1.743 11.561 1.00 0.00 C ATOM 1594 NE2 HIS A 100 -8.036 -3.088 11.539 1.00 0.00 N ATOM 0 H HIS A 100 -9.657 -0.948 7.931 1.00 0.00 H new ATOM 0 HA HIS A 100 -8.247 -2.617 6.023 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -6.646 -2.979 7.763 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -7.072 -1.279 7.761 1.00 0.00 H new ATOM 0 HD1 HIS A 100 -7.990 -0.296 10.031 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -7.613 -4.496 9.895 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -8.346 -1.141 12.435 1.00 0.00 H new ATOM 1603 N GLN A 101 -10.163 -4.072 8.260 1.00 0.00 N ATOM 1604 CA GLN A 101 -10.754 -5.351 8.704 1.00 0.00 C ATOM 1605 C GLN A 101 -11.790 -5.954 7.735 1.00 0.00 C ATOM 1606 O GLN A 101 -12.051 -7.154 7.794 1.00 0.00 O ATOM 1607 CB GLN A 101 -11.262 -5.229 10.160 1.00 0.00 C ATOM 1608 CG GLN A 101 -12.622 -4.539 10.397 1.00 0.00 C ATOM 1609 CD GLN A 101 -12.700 -3.109 9.871 1.00 0.00 C ATOM 1610 OE1 GLN A 101 -13.101 -2.887 8.737 1.00 0.00 O ATOM 1611 NE2 GLN A 101 -12.283 -2.112 10.629 1.00 0.00 N ATOM 0 H GLN A 101 -10.526 -3.264 8.767 1.00 0.00 H new ATOM 0 HA GLN A 101 -9.953 -6.090 8.688 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -11.320 -6.234 10.579 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.509 -4.688 10.732 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.404 -5.131 9.923 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.831 -4.532 11.467 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -11.948 -2.296 11.575 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -12.295 -1.158 10.269 1.00 0.00 H new ATOM 1620 N LEU A 102 -12.346 -5.147 6.826 1.00 0.00 N ATOM 1621 CA LEU A 102 -13.268 -5.548 5.754 1.00 0.00 C ATOM 1622 C LEU A 102 -12.942 -4.779 4.456 1.00 0.00 C ATOM 1623 O LEU A 102 -13.773 -4.052 3.904 1.00 0.00 O ATOM 1624 CB LEU A 102 -14.732 -5.354 6.213 1.00 0.00 C ATOM 1625 CG LEU A 102 -15.231 -6.316 7.308 1.00 0.00 C ATOM 1626 CD1 LEU A 102 -16.639 -5.911 7.748 1.00 0.00 C ATOM 1627 CD2 LEU A 102 -15.291 -7.768 6.825 1.00 0.00 C ATOM 0 H LEU A 102 -12.157 -4.145 6.816 1.00 0.00 H new ATOM 0 HA LEU A 102 -13.140 -6.608 5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -14.846 -4.332 6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -15.381 -5.457 5.343 1.00 0.00 H new ATOM 0 HG LEU A 102 -14.521 -6.250 8.133 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -16.989 -6.594 8.523 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -16.619 -4.895 8.142 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -17.314 -5.955 6.893 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -15.649 -8.406 7.633 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -15.972 -7.841 5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -14.296 -8.092 6.521 1.00 0.00 H new ATOM 1639 N ASN A 103 -11.691 -4.909 3.996 1.00 0.00 N ATOM 1640 CA ASN A 103 -11.225 -4.345 2.721 1.00 0.00 C ATOM 1641 C ASN A 103 -11.634 -5.267 1.537 1.00 0.00 C ATOM 1642 O ASN A 103 -12.597 -6.032 1.626 1.00 0.00 O ATOM 1643 CB ASN A 103 -9.697 -4.103 2.835 1.00 0.00 C ATOM 1644 CG ASN A 103 -9.228 -2.991 1.916 1.00 0.00 C ATOM 1645 OD1 ASN A 103 -8.849 -3.233 0.780 1.00 0.00 O ATOM 1646 ND2 ASN A 103 -9.310 -1.755 2.337 1.00 0.00 N ATOM 0 H ASN A 103 -10.965 -5.414 4.504 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.698 -3.386 2.511 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.446 -3.852 3.865 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -9.165 -5.023 2.592 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -9.057 -0.987 1.716 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -9.627 -1.560 3.287 1.00 0.00 H new ATOM 1653 N ARG A 104 -10.917 -5.179 0.408 1.00 0.00 N ATOM 1654 CA ARG A 104 -11.065 -6.048 -0.777 1.00 0.00 C ATOM 1655 C ARG A 104 -9.752 -6.772 -1.148 1.00 0.00 C ATOM 1656 O ARG A 104 -9.721 -7.501 -2.136 1.00 0.00 O ATOM 1657 CB ARG A 104 -11.741 -5.301 -1.945 1.00 0.00 C ATOM 1658 CG ARG A 104 -11.177 -3.908 -2.294 1.00 0.00 C ATOM 1659 CD ARG A 104 -11.904 -2.743 -1.601 1.00 0.00 C ATOM 1660 NE ARG A 104 -13.308 -2.623 -2.050 1.00 0.00 N ATOM 1661 CZ ARG A 104 -14.128 -1.602 -1.867 1.00 0.00 C ATOM 1662 NH1 ARG A 104 -13.757 -0.512 -1.259 1.00 0.00 N ATOM 1663 NH2 ARG A 104 -15.351 -1.658 -2.308 1.00 0.00 N ATOM 0 H ARG A 104 -10.189 -4.475 0.286 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.749 -6.855 -0.516 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.674 -5.928 -2.834 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -12.800 -5.191 -1.711 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.122 -3.877 -2.022 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.232 -3.766 -3.373 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -11.880 -2.891 -0.521 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.376 -1.812 -1.807 1.00 0.00 H new ATOM 0 HE ARG A 104 -13.688 -3.420 -2.560 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -12.804 -0.425 -0.905 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -14.419 0.254 -1.137 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -15.679 -2.491 -2.796 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -15.981 -0.869 -2.165 1.00 0.00 H new ATOM 1677 N GLY A 105 -8.709 -6.600 -0.323 1.00 0.00 N ATOM 1678 CA GLY A 105 -7.394 -7.256 -0.395 1.00 0.00 C ATOM 1679 C GLY A 105 -6.811 -7.431 -1.805 1.00 0.00 C ATOM 1680 O GLY A 105 -6.897 -6.539 -2.657 1.00 0.00 O ATOM 0 H GLY A 105 -8.765 -5.956 0.466 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.688 -6.678 0.201 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -7.473 -8.239 0.070 1.00 0.00 H new ATOM 1684 N ILE A 106 -6.164 -8.575 -2.019 1.00 0.00 N ATOM 1685 CA ILE A 106 -5.636 -9.008 -3.329 1.00 0.00 C ATOM 1686 C ILE A 106 -6.773 -9.412 -4.300 1.00 0.00 C ATOM 1687 O ILE A 106 -7.837 -9.861 -3.867 1.00 0.00 O ATOM 1688 CB ILE A 106 -4.582 -10.124 -3.155 1.00 0.00 C ATOM 1689 CG1 ILE A 106 -3.790 -10.481 -4.430 1.00 0.00 C ATOM 1690 CG2 ILE A 106 -5.196 -11.397 -2.546 1.00 0.00 C ATOM 1691 CD1 ILE A 106 -2.906 -9.345 -4.961 1.00 0.00 C ATOM 0 H ILE A 106 -5.984 -9.248 -1.275 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.132 -8.158 -3.788 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.858 -9.695 -2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.163 -11.348 -4.223 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.492 -10.774 -5.210 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.423 -12.158 -2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -5.616 -11.166 -1.567 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.985 -11.769 -3.200 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.384 -9.679 -5.858 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.528 -8.483 -5.202 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.177 -9.065 -4.200 1.00 0.00 H new ATOM 1703 N LEU A 107 -6.529 -9.303 -5.619 1.00 0.00 N ATOM 1704 CA LEU A 107 -7.444 -9.717 -6.705 1.00 0.00 C ATOM 1705 C LEU A 107 -8.307 -10.989 -6.421 1.00 0.00 C ATOM 1706 O LEU A 107 -9.531 -10.854 -6.525 1.00 0.00 O ATOM 1707 CB LEU A 107 -6.637 -9.857 -8.018 1.00 0.00 C ATOM 1708 CG LEU A 107 -6.711 -8.635 -8.944 1.00 0.00 C ATOM 1709 CD1 LEU A 107 -5.675 -8.782 -10.060 1.00 0.00 C ATOM 1710 CD2 LEU A 107 -8.098 -8.499 -9.573 1.00 0.00 C ATOM 0 H LEU A 107 -5.657 -8.910 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.189 -8.926 -6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.593 -10.046 -7.769 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.999 -10.731 -8.560 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.510 -7.745 -8.348 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.725 -7.916 -10.719 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -4.678 -8.849 -9.624 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.883 -9.686 -10.632 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.118 -7.624 -10.223 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -8.321 -9.391 -10.158 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -8.844 -8.384 -8.787 1.00 0.00 H new ATOM 1722 N PRO A 108 -7.761 -12.191 -6.078 1.00 0.00 N ATOM 1723 CA PRO A 108 -8.574 -13.420 -6.036 1.00 0.00 C ATOM 1724 C PRO A 108 -8.768 -14.106 -4.659 1.00 0.00 C ATOM 1725 O PRO A 108 -9.833 -14.687 -4.432 1.00 0.00 O ATOM 1726 CB PRO A 108 -7.842 -14.353 -7.000 1.00 0.00 C ATOM 1727 CG PRO A 108 -6.366 -14.024 -6.775 1.00 0.00 C ATOM 1728 CD PRO A 108 -6.363 -12.592 -6.229 1.00 0.00 C ATOM 0 HA PRO A 108 -9.603 -13.171 -6.296 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -8.056 -15.400 -6.784 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -8.139 -14.174 -8.033 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.909 -14.718 -6.069 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -5.799 -14.095 -7.703 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.842 -12.545 -5.272 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -5.840 -11.920 -6.910 1.00 0.00 H new ATOM 1736 N CYS A 109 -7.785 -14.071 -3.748 1.00 0.00 N ATOM 1737 CA CYS A 109 -7.776 -14.770 -2.468 1.00 0.00 C ATOM 1738 C CYS A 109 -8.356 -13.948 -1.283 1.00 0.00 C ATOM 1739 O CYS A 109 -9.508 -13.508 -1.339 1.00 0.00 O ATOM 1740 CB CYS A 109 -6.324 -15.250 -2.291 1.00 0.00 C ATOM 1741 SG CYS A 109 -5.836 -16.391 -3.625 1.00 0.00 S ATOM 0 H CYS A 109 -6.936 -13.526 -3.897 1.00 0.00 H new ATOM 0 HA CYS A 109 -8.462 -15.617 -2.468 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -5.653 -14.391 -2.281 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -6.218 -15.748 -1.327 1.00 0.00 H new ATOM 0 HG CYS A 109 -4.606 -16.771 -3.442 1.00 0.00 H new ATOM 1747 N LEU A 110 -7.595 -13.795 -0.185 1.00 0.00 N ATOM 1748 CA LEU A 110 -8.001 -13.103 1.052 1.00 0.00 C ATOM 1749 C LEU A 110 -8.339 -11.613 0.794 1.00 0.00 C ATOM 1750 O LEU A 110 -7.852 -11.011 -0.167 1.00 0.00 O ATOM 1751 CB LEU A 110 -6.889 -13.263 2.119 1.00 0.00 C ATOM 1752 CG LEU A 110 -6.786 -14.585 2.908 1.00 0.00 C ATOM 1753 CD1 LEU A 110 -8.036 -14.853 3.749 1.00 0.00 C ATOM 1754 CD2 LEU A 110 -6.516 -15.806 2.027 1.00 0.00 C ATOM 0 H LEU A 110 -6.645 -14.163 -0.132 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.916 -13.562 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.932 -13.102 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -7.011 -12.458 2.843 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.926 -14.443 3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.918 -15.794 4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.175 -14.042 4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.907 -14.915 3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.456 -16.698 2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.325 -15.920 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.574 -15.670 1.496 1.00 0.00 H new ATOM 1766 N LEU A 111 -9.173 -11.017 1.668 1.00 0.00 N ATOM 1767 CA LEU A 111 -9.692 -9.645 1.494 1.00 0.00 C ATOM 1768 C LEU A 111 -9.359 -8.583 2.560 1.00 0.00 C ATOM 1769 O LEU A 111 -9.659 -7.413 2.325 1.00 0.00 O ATOM 1770 CB LEU A 111 -11.201 -9.707 1.159 1.00 0.00 C ATOM 1771 CG LEU A 111 -12.245 -10.074 2.239 1.00 0.00 C ATOM 1772 CD1 LEU A 111 -12.101 -11.498 2.783 1.00 0.00 C ATOM 1773 CD2 LEU A 111 -12.279 -9.113 3.428 1.00 0.00 C ATOM 0 H LEU A 111 -9.507 -11.474 2.517 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.116 -9.250 0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.480 -8.730 0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.318 -10.424 0.346 1.00 0.00 H new ATOM 0 HG LEU A 111 -13.185 -9.993 1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -12.868 -11.679 3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -12.216 -12.212 1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -11.116 -11.617 3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -13.037 -9.441 4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.304 -9.103 3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -12.520 -8.109 3.078 1.00 0.00 H new ATOM 1785 N ARG A 112 -8.759 -8.926 3.709 1.00 0.00 N ATOM 1786 CA ARG A 112 -8.508 -7.976 4.824 1.00 0.00 C ATOM 1787 C ARG A 112 -7.020 -7.745 5.107 1.00 0.00 C ATOM 1788 O ARG A 112 -6.211 -8.665 4.978 1.00 0.00 O ATOM 1789 CB ARG A 112 -9.264 -8.398 6.098 1.00 0.00 C ATOM 1790 CG ARG A 112 -9.024 -9.854 6.544 1.00 0.00 C ATOM 1791 CD ARG A 112 -9.476 -10.122 7.988 1.00 0.00 C ATOM 1792 NE ARG A 112 -10.871 -9.695 8.227 1.00 0.00 N ATOM 1793 CZ ARG A 112 -11.822 -10.311 8.906 1.00 0.00 C ATOM 1794 NH1 ARG A 112 -11.661 -11.489 9.439 1.00 0.00 N ATOM 1795 NH2 ARG A 112 -12.967 -9.713 9.060 1.00 0.00 N ATOM 0 H ARG A 112 -8.429 -9.872 3.901 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.901 -7.014 4.494 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -8.975 -7.732 6.911 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -10.332 -8.255 5.933 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -9.557 -10.527 5.872 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -7.963 -10.086 6.452 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -9.382 -11.186 8.204 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -8.814 -9.597 8.677 1.00 0.00 H new ATOM 0 HE ARG A 112 -11.135 -8.802 7.810 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -10.770 -11.976 9.341 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -12.426 -11.924 9.955 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -13.116 -8.787 8.660 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -13.715 -10.170 9.581 1.00 0.00 H new ATOM 1809 N HIS A 113 -6.681 -6.533 5.559 1.00 0.00 N ATOM 1810 CA HIS A 113 -5.325 -6.156 5.990 1.00 0.00 C ATOM 1811 C HIS A 113 -5.206 -6.163 7.511 1.00 0.00 C ATOM 1812 O HIS A 113 -6.170 -5.877 8.226 1.00 0.00 O ATOM 1813 CB HIS A 113 -4.864 -4.817 5.403 1.00 0.00 C ATOM 1814 CG HIS A 113 -5.263 -4.523 3.978 1.00 0.00 C ATOM 1815 ND1 HIS A 113 -5.069 -5.370 2.885 1.00 0.00 N ATOM 1816 CD2 HIS A 113 -5.815 -3.352 3.539 1.00 0.00 C ATOM 1817 CE1 HIS A 113 -5.504 -4.688 1.814 1.00 0.00 C ATOM 1818 NE2 HIS A 113 -5.960 -3.476 2.175 1.00 0.00 N ATOM 0 H HIS A 113 -7.353 -5.770 5.638 1.00 0.00 H new ATOM 0 HA HIS A 113 -4.652 -6.916 5.592 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -5.251 -4.018 6.035 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -3.777 -4.775 5.466 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -6.084 -2.498 4.143 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -5.490 -5.062 0.801 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -6.346 -2.771 1.548 1.00 0.00 H new ATOM 1826 N CYS A 114 -3.997 -6.449 7.988 1.00 0.00 N ATOM 1827 CA CYS A 114 -3.704 -6.630 9.406 1.00 0.00 C ATOM 1828 C CYS A 114 -2.490 -5.820 9.904 1.00 0.00 C ATOM 1829 O CYS A 114 -2.627 -4.986 10.799 1.00 0.00 O ATOM 1830 CB CYS A 114 -3.524 -8.144 9.620 1.00 0.00 C ATOM 1831 SG CYS A 114 -5.062 -9.058 9.272 1.00 0.00 S ATOM 0 H CYS A 114 -3.180 -6.563 7.389 1.00 0.00 H new ATOM 0 HA CYS A 114 -4.528 -6.239 10.003 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -2.727 -8.511 8.973 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -3.213 -8.332 10.647 1.00 0.00 H new ATOM 0 HG CYS A 114 -4.864 -10.329 9.463 1.00 0.00 H new ATOM 1837 N CYS A 115 -1.302 -6.086 9.350 1.00 0.00 N ATOM 1838 CA CYS A 115 -0.027 -5.455 9.728 1.00 0.00 C ATOM 1839 C CYS A 115 0.857 -5.190 8.486 1.00 0.00 C ATOM 1840 O CYS A 115 0.365 -5.163 7.358 1.00 0.00 O ATOM 1841 CB CYS A 115 0.623 -6.343 10.812 1.00 0.00 C ATOM 1842 SG CYS A 115 1.819 -5.395 11.803 1.00 0.00 S ATOM 0 H CYS A 115 -1.195 -6.769 8.600 1.00 0.00 H new ATOM 0 HA CYS A 115 -0.177 -4.463 10.154 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -0.150 -6.753 11.463 1.00 0.00 H new ATOM 0 HB3 CYS A 115 1.125 -7.189 10.341 1.00 0.00 H new ATOM 0 HG CYS A 115 3.027 -5.693 11.426 1.00 0.00 H new ATOM 1848 N THR A 116 2.166 -5.046 8.701 1.00 0.00 N ATOM 1849 CA THR A 116 3.209 -4.686 7.724 1.00 0.00 C ATOM 1850 C THR A 116 4.429 -5.598 7.867 1.00 0.00 C ATOM 1851 O THR A 116 4.881 -5.828 8.994 1.00 0.00 O ATOM 1852 CB THR A 116 3.682 -3.240 7.995 1.00 0.00 C ATOM 1853 OG1 THR A 116 2.612 -2.322 8.081 1.00 0.00 O ATOM 1854 CG2 THR A 116 4.672 -2.711 6.956 1.00 0.00 C ATOM 0 H THR A 116 2.560 -5.188 9.631 1.00 0.00 H new ATOM 0 HA THR A 116 2.785 -4.788 6.725 1.00 0.00 H new ATOM 0 HB THR A 116 4.187 -3.313 8.958 1.00 0.00 H new ATOM 0 HG1 THR A 116 2.856 -1.591 8.687 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.959 -1.691 7.213 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.559 -3.345 6.943 1.00 0.00 H new ATOM 0 HG23 THR A 116 4.205 -2.720 5.971 1.00 0.00 H new ATOM 1862 N ARG A 117 5.004 -6.095 6.758 1.00 0.00 N ATOM 1863 CA ARG A 117 6.252 -6.887 6.753 1.00 0.00 C ATOM 1864 C ARG A 117 7.222 -6.380 5.679 1.00 0.00 C ATOM 1865 O ARG A 117 6.804 -6.071 4.566 1.00 0.00 O ATOM 1866 CB ARG A 117 5.953 -8.384 6.566 1.00 0.00 C ATOM 1867 CG ARG A 117 5.217 -8.988 7.776 1.00 0.00 C ATOM 1868 CD ARG A 117 5.007 -10.500 7.622 1.00 0.00 C ATOM 1869 NE ARG A 117 6.296 -11.222 7.632 1.00 0.00 N ATOM 1870 CZ ARG A 117 6.859 -11.882 8.629 1.00 0.00 C ATOM 1871 NH1 ARG A 117 6.284 -12.031 9.787 1.00 0.00 N ATOM 1872 NH2 ARG A 117 8.039 -12.409 8.468 1.00 0.00 N ATOM 0 H ARG A 117 4.612 -5.958 5.826 1.00 0.00 H new ATOM 0 HA ARG A 117 6.733 -6.760 7.723 1.00 0.00 H new ATOM 0 HB2 ARG A 117 5.348 -8.522 5.670 1.00 0.00 H new ATOM 0 HB3 ARG A 117 6.888 -8.922 6.406 1.00 0.00 H new ATOM 0 HG2 ARG A 117 5.788 -8.791 8.683 1.00 0.00 H new ATOM 0 HG3 ARG A 117 4.251 -8.498 7.895 1.00 0.00 H new ATOM 0 HD2 ARG A 117 4.376 -10.866 8.431 1.00 0.00 H new ATOM 0 HD3 ARG A 117 4.480 -10.704 6.690 1.00 0.00 H new ATOM 0 HE ARG A 117 6.819 -11.209 6.756 1.00 0.00 H new ATOM 0 HH11 ARG A 117 5.361 -11.630 9.953 1.00 0.00 H new ATOM 0 HH12 ARG A 117 6.756 -12.549 10.528 1.00 0.00 H new ATOM 0 HH21 ARG A 117 8.524 -12.311 7.576 1.00 0.00 H new ATOM 0 HH22 ARG A 117 8.478 -12.919 9.234 1.00 0.00 H new ATOM 1966 N PRO B1137 6.667 -7.680 -13.348 1.00 0.00 N ATOM 1967 CA PRO B1137 5.345 -7.063 -13.239 1.00 0.00 C ATOM 1968 C PRO B1137 5.391 -5.772 -12.401 1.00 0.00 C ATOM 1969 O PRO B1137 6.075 -5.704 -11.377 1.00 0.00 O ATOM 1970 CB PRO B1137 4.453 -8.130 -12.599 1.00 0.00 C ATOM 1971 CG PRO B1137 5.427 -8.928 -11.731 1.00 0.00 C ATOM 1972 CD PRO B1137 6.723 -8.894 -12.540 1.00 0.00 C ATOM 0 HA PRO B1137 4.961 -6.756 -14.212 1.00 0.00 H new ATOM 0 HB2 PRO B1137 3.656 -7.684 -12.004 1.00 0.00 H new ATOM 0 HB3 PRO B1137 3.976 -8.759 -13.350 1.00 0.00 H new ATOM 0 HG2 PRO B1137 5.554 -8.475 -10.748 1.00 0.00 H new ATOM 0 HG3 PRO B1137 5.080 -9.948 -11.570 1.00 0.00 H new ATOM 0 HD2 PRO B1137 7.592 -8.884 -11.882 1.00 0.00 H new ATOM 0 HD3 PRO B1137 6.811 -9.778 -13.171 1.00 0.00 H new ATOM 1980 N GLU B1138 4.635 -4.755 -12.816 1.00 0.00 N ATOM 1981 CA GLU B1138 4.618 -3.413 -12.212 1.00 0.00 C ATOM 1982 C GLU B1138 3.213 -2.782 -12.267 1.00 0.00 C ATOM 1983 O GLU B1138 2.663 -2.645 -13.354 1.00 0.00 O ATOM 1984 CB GLU B1138 5.669 -2.522 -12.913 1.00 0.00 C ATOM 1985 CG GLU B1138 5.550 -2.334 -14.436 1.00 0.00 C ATOM 1986 CD GLU B1138 6.752 -1.542 -14.986 1.00 0.00 C ATOM 1987 OE1 GLU B1138 7.057 -0.449 -14.449 1.00 0.00 O ATOM 1988 OE2 GLU B1138 7.391 -2.000 -15.966 1.00 0.00 O ATOM 0 H GLU B1138 3.996 -4.840 -13.606 1.00 0.00 H new ATOM 0 HA GLU B1138 4.876 -3.500 -11.157 1.00 0.00 H new ATOM 0 HB2 GLU B1138 5.634 -1.536 -12.450 1.00 0.00 H new ATOM 0 HB3 GLU B1138 6.654 -2.938 -12.703 1.00 0.00 H new ATOM 0 HG2 GLU B1138 5.496 -3.307 -14.924 1.00 0.00 H new ATOM 0 HG3 GLU B1138 4.624 -1.808 -14.671 1.00 0.00 H new ATOM 2019 N VAL B1140 -1.143 -2.420 -11.000 1.00 0.00 N ATOM 2020 CA VAL B1140 -2.399 -3.245 -11.036 1.00 0.00 C ATOM 2021 C VAL B1140 -3.659 -2.498 -11.396 1.00 0.00 C ATOM 2022 O VAL B1140 -4.617 -3.191 -11.710 1.00 0.00 O ATOM 2023 CB VAL B1140 -2.687 -4.003 -9.707 1.00 0.00 C ATOM 2024 CG1 VAL B1140 -3.597 -5.254 -9.822 1.00 0.00 C ATOM 2025 CG2 VAL B1140 -1.433 -4.689 -9.134 1.00 0.00 C ATOM 0 HA VAL B1140 -2.167 -3.945 -11.839 1.00 0.00 H new ATOM 0 HB VAL B1140 -3.123 -3.195 -9.120 1.00 0.00 H new ATOM 0 HG11 VAL B1140 -3.728 -5.700 -8.836 1.00 0.00 H new ATOM 0 HG12 VAL B1140 -4.569 -4.962 -10.220 1.00 0.00 H new ATOM 0 HG13 VAL B1140 -3.134 -5.980 -10.490 1.00 0.00 H new ATOM 0 HG21 VAL B1140 -1.690 -5.203 -8.208 1.00 0.00 H new ATOM 0 HG22 VAL B1140 -1.052 -5.412 -9.856 1.00 0.00 H new ATOM 0 HG23 VAL B1140 -0.668 -3.939 -8.933 1.00 0.00 H new ATOM 2035 N ASN B1141 -3.760 -1.150 -11.371 1.00 0.00 N ATOM 2036 CA ASN B1141 -4.996 -0.565 -11.989 1.00 0.00 C ATOM 2037 C ASN B1141 -4.979 -1.180 -13.441 1.00 0.00 C ATOM 2038 O ASN B1141 -5.999 -1.517 -14.040 1.00 0.00 O ATOM 2039 CB ASN B1141 -4.970 0.963 -12.063 1.00 0.00 C ATOM 2040 CG ASN B1141 -5.077 1.810 -10.814 1.00 0.00 C ATOM 2041 OD1 ASN B1141 -5.873 2.728 -10.716 1.00 0.00 O ATOM 2042 ND2 ASN B1141 -4.149 1.679 -9.888 1.00 0.00 N ATOM 0 H ASN B1141 -3.085 -0.495 -10.977 1.00 0.00 H new ATOM 0 HA ASN B1141 -5.888 -0.794 -11.405 1.00 0.00 H new ATOM 0 HB2 ASN B1141 -4.040 1.242 -12.558 1.00 0.00 H new ATOM 0 HB3 ASN B1141 -5.784 1.264 -12.722 1.00 0.00 H new ATOM 0 HD21 ASN B1141 -4.108 2.338 -9.111 1.00 0.00 H new ATOM 0 HD22 ASN B1141 -3.472 0.919 -9.949 1.00 0.00 H new ATOM 2049 N GLN B1142 -3.726 -1.412 -13.881 1.00 0.00 N ATOM 2050 CA GLN B1142 -3.122 -2.088 -14.979 1.00 0.00 C ATOM 2051 C GLN B1142 -1.773 -2.557 -14.443 1.00 0.00 C ATOM 2052 O GLN B1142 -1.234 -1.837 -13.603 1.00 0.00 O ATOM 2053 CB GLN B1142 -2.693 -1.074 -16.027 1.00 0.00 C ATOM 2054 CG GLN B1142 -3.740 -0.518 -17.018 1.00 0.00 C ATOM 2055 CD GLN B1142 -4.841 0.391 -16.461 1.00 0.00 C ATOM 2056 OE1 GLN B1142 -6.026 0.103 -16.558 1.00 0.00 O ATOM 2057 NE2 GLN B1142 -4.520 1.557 -15.930 1.00 0.00 N ATOM 0 H GLN B1142 -2.972 -1.023 -13.315 1.00 0.00 H new ATOM 0 HA GLN B1142 -3.798 -2.847 -15.373 1.00 0.00 H new ATOM 0 HB2 GLN B1142 -2.257 -0.225 -15.501 1.00 0.00 H new ATOM 0 HB3 GLN B1142 -1.895 -1.529 -16.615 1.00 0.00 H new ATOM 0 HG2 GLN B1142 -3.208 0.036 -17.791 1.00 0.00 H new ATOM 0 HG3 GLN B1142 -4.221 -1.365 -17.507 1.00 0.00 H new ATOM 0 HE21 GLN B1142 -3.540 1.822 -15.837 1.00 0.00 H new ATOM 0 HE22 GLN B1142 -5.253 2.192 -15.613 1.00 0.00 H new ATOM 2066 N PRO B1143 -1.129 -3.591 -15.005 1.00 0.00 N ATOM 2067 CA PRO B1143 0.324 -3.675 -14.946 1.00 0.00 C ATOM 2068 C PRO B1143 0.949 -2.595 -15.878 1.00 0.00 C ATOM 2069 O PRO B1143 1.612 -2.877 -16.882 1.00 0.00 O ATOM 2070 CB PRO B1143 0.638 -5.122 -15.330 1.00 0.00 C ATOM 2071 CG PRO B1143 -0.453 -5.426 -16.364 1.00 0.00 C ATOM 2072 CD PRO B1143 -1.666 -4.628 -15.870 1.00 0.00 C ATOM 0 HA PRO B1143 0.754 -3.461 -13.968 1.00 0.00 H new ATOM 0 HB2 PRO B1143 1.638 -5.224 -15.751 1.00 0.00 H new ATOM 0 HB3 PRO B1143 0.584 -5.792 -14.472 1.00 0.00 H new ATOM 0 HG2 PRO B1143 -0.152 -5.116 -17.365 1.00 0.00 H new ATOM 0 HG3 PRO B1143 -0.670 -6.493 -16.413 1.00 0.00 H new ATOM 0 HD2 PRO B1143 -2.216 -4.195 -16.705 1.00 0.00 H new ATOM 0 HD3 PRO B1143 -2.362 -5.269 -15.328 1.00 0.00 H new ATOM 2080 N ASP B1144 0.617 -1.350 -15.529 1.00 0.00 N ATOM 2081 CA ASP B1144 0.826 -0.027 -16.115 1.00 0.00 C ATOM 2082 C ASP B1144 0.756 0.050 -17.663 1.00 0.00 C ATOM 2083 O ASP B1144 -0.370 0.184 -18.197 1.00 0.00 O ATOM 2084 CB ASP B1144 2.065 0.679 -15.525 1.00 0.00 C ATOM 2085 CG ASP B1144 2.300 2.095 -16.110 1.00 0.00 C ATOM 2086 OD1 ASP B1144 1.334 2.896 -16.201 1.00 0.00 O ATOM 2087 OD2 ASP B1144 3.467 2.438 -16.434 1.00 0.00 O ATOM 2088 OXT ASP B1144 1.808 0.009 -18.347 1.00 0.00 O ATOM 0 H ASP B1144 0.095 -1.234 -14.660 1.00 0.00 H new ATOM 0 HA ASP B1144 -0.052 0.541 -15.808 1.00 0.00 H new ATOM 0 HB2 ASP B1144 1.951 0.754 -14.444 1.00 0.00 H new ATOM 0 HB3 ASP B1144 2.947 0.066 -15.711 1.00 0.00 H new