USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 GLN : amide:sc= 1.18 K(o=3.4,f=-2.8!) USER MOD Set 1.2: A 79 SER OG : rot -77:sc= 2.2 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -2.1 K(o=-2.1,f=-3.9!) USER MOD Single : A 46 THR OG1 : rot -160:sc= -1.16 USER MOD Single : A 47 GLN : amide:sc= -0.366 K(o=-0.37,f=-2.2!) USER MOD Single : A 49 THR OG1 : rot -69:sc= 0.963 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -59:sc= -5.83! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.115 K(o=0.11,f=-1.4) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -6.56 K(o=-6.6,f=-11!) USER MOD Single : A 77 ASN : amide:sc= -3.37! C(o=-3.4!,f=-7.4!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.105 K(o=-0.11,f=-1.8!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.146 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -3.75! C(o=-3.7!,f=-4.1!) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 203 N LEU A 17 -5.206 -6.208 -2.281 1.00 0.00 N ATOM 204 CA LEU A 17 -3.895 -5.713 -1.898 1.00 0.00 C ATOM 205 C LEU A 17 -3.946 -5.210 -0.454 1.00 0.00 C ATOM 206 O LEU A 17 -5.011 -4.848 0.044 1.00 0.00 O ATOM 207 CB LEU A 17 -3.406 -4.663 -2.898 1.00 0.00 C ATOM 208 CG LEU A 17 -3.278 -5.128 -4.350 1.00 0.00 C ATOM 209 CD1 LEU A 17 -4.068 -4.215 -5.290 1.00 0.00 C ATOM 210 CD2 LEU A 17 -1.809 -5.243 -4.762 1.00 0.00 C ATOM 0 HA LEU A 17 -3.160 -6.517 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.090 -3.815 -2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.433 -4.300 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.713 -6.124 -4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.960 -4.568 -6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.121 -4.229 -5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.686 -3.197 -5.214 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.747 -5.575 -5.798 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.326 -4.271 -4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.306 -5.965 -4.119 1.00 0.00 H new ATOM 222 N TRP A 18 -2.781 -5.203 0.178 1.00 0.00 N ATOM 223 CA TRP A 18 -2.679 -4.751 1.555 1.00 0.00 C ATOM 224 C TRP A 18 -1.197 -4.552 1.879 1.00 0.00 C ATOM 225 O TRP A 18 -0.335 -5.185 1.271 1.00 0.00 O ATOM 226 CB TRP A 18 -3.374 -5.727 2.506 1.00 0.00 C ATOM 227 CG TRP A 18 -2.882 -7.171 2.383 1.00 0.00 C ATOM 228 CD1 TRP A 18 -3.284 -8.109 1.514 1.00 0.00 C ATOM 229 CD2 TRP A 18 -1.873 -7.808 3.195 1.00 0.00 C ATOM 230 NE1 TRP A 18 -2.611 -9.298 1.706 1.00 0.00 N ATOM 231 CE2 TRP A 18 -1.726 -9.109 2.761 1.00 0.00 C ATOM 232 CE3 TRP A 18 -1.110 -7.300 4.262 1.00 0.00 C ATOM 233 CZ2 TRP A 18 -0.823 -10.012 3.335 1.00 0.00 C ATOM 234 CZ3 TRP A 18 -0.212 -8.215 4.825 1.00 0.00 C ATOM 235 CH2 TRP A 18 -0.052 -9.528 4.400 1.00 0.00 C ATOM 0 H TRP A 18 -1.900 -5.503 -0.239 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.195 -3.800 1.688 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.224 -5.389 3.531 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.447 -5.702 2.316 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.040 -7.954 0.758 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.739 -10.158 1.172 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.209 -6.285 4.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.726 -11.026 2.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.400 -7.876 5.648 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.664 -10.173 4.888 1.00 0.00 H new ATOM 246 N LEU A 19 -0.947 -3.671 2.836 1.00 0.00 N ATOM 247 CA LEU A 19 0.416 -3.381 3.248 1.00 0.00 C ATOM 248 C LEU A 19 0.809 -4.320 4.391 1.00 0.00 C ATOM 249 O LEU A 19 0.013 -4.571 5.294 1.00 0.00 O ATOM 250 CB LEU A 19 0.569 -1.898 3.591 1.00 0.00 C ATOM 251 CG LEU A 19 0.103 -0.911 2.518 1.00 0.00 C ATOM 252 CD1 LEU A 19 0.373 -1.458 1.115 1.00 0.00 C ATOM 253 CD2 LEU A 19 -1.368 -0.539 2.716 1.00 0.00 C ATOM 0 H LEU A 19 -1.665 -3.148 3.338 1.00 0.00 H new ATOM 0 HA LEU A 19 1.109 -3.567 2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.013 -1.698 4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.619 -1.701 3.806 1.00 0.00 H new ATOM 0 HG LEU A 19 0.683 0.006 2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.032 -0.737 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.442 -1.630 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.163 -2.398 0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.673 0.163 1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.982 -1.437 2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.498 -0.077 3.695 1.00 0.00 H new ATOM 265 N GLN A 20 2.037 -4.813 4.313 1.00 0.00 N ATOM 266 CA GLN A 20 2.545 -5.718 5.330 1.00 0.00 C ATOM 267 C GLN A 20 3.487 -4.975 6.279 1.00 0.00 C ATOM 268 O GLN A 20 4.638 -4.710 5.936 1.00 0.00 O ATOM 269 CB GLN A 20 3.245 -6.920 4.693 1.00 0.00 C ATOM 270 CG GLN A 20 3.356 -8.079 5.686 1.00 0.00 C ATOM 271 CD GLN A 20 4.390 -9.105 5.218 1.00 0.00 C ATOM 272 OE1 GLN A 20 5.589 -8.925 5.357 1.00 0.00 O ATOM 273 NE2 GLN A 20 3.861 -10.188 4.655 1.00 0.00 N ATOM 0 H GLN A 20 2.694 -4.603 3.562 1.00 0.00 H new ATOM 0 HA GLN A 20 1.701 -6.094 5.908 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.691 -7.243 3.812 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.240 -6.629 4.355 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.637 -7.696 6.667 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.385 -8.561 5.798 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.848 -10.276 4.570 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.468 -10.931 4.309 1.00 0.00 H new ATOM 349 N PRO A 27 -0.967 -3.138 12.223 1.00 0.00 N ATOM 350 CA PRO A 27 -1.330 -4.345 11.501 1.00 0.00 C ATOM 351 C PRO A 27 -1.440 -4.074 9.999 1.00 0.00 C ATOM 352 O PRO A 27 -1.341 -2.928 9.563 1.00 0.00 O ATOM 353 CB PRO A 27 -2.643 -4.794 12.121 1.00 0.00 C ATOM 354 CG PRO A 27 -3.201 -3.578 12.843 1.00 0.00 C ATOM 355 CD PRO A 27 -2.088 -2.549 12.951 1.00 0.00 C ATOM 0 HA PRO A 27 -0.576 -5.128 11.585 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.336 -5.146 11.356 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.485 -5.621 12.813 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.050 -3.166 12.297 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.563 -3.855 13.833 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.386 -1.596 12.515 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.827 -2.356 13.991 1.00 0.00 H new ATOM 363 N PRO A 28 -1.648 -5.175 9.230 1.00 0.00 N ATOM 364 CA PRO A 28 -1.772 -5.067 7.786 1.00 0.00 C ATOM 365 C PRO A 28 -3.135 -4.494 7.394 1.00 0.00 C ATOM 366 O PRO A 28 -4.171 -5.083 7.699 1.00 0.00 O ATOM 367 CB PRO A 28 -1.549 -6.478 7.265 1.00 0.00 C ATOM 368 CG PRO A 28 -1.770 -7.401 8.453 1.00 0.00 C ATOM 369 CD PRO A 28 -1.770 -6.548 9.712 1.00 0.00 C ATOM 0 HA PRO A 28 -1.048 -4.377 7.352 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.242 -6.710 6.456 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.542 -6.592 6.864 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.716 -7.933 8.352 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.984 -8.155 8.502 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.687 -6.687 10.284 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.941 -6.812 10.369 1.00 0.00 H new ATOM 377 N ILE A 29 -3.091 -3.352 6.725 1.00 0.00 N ATOM 378 CA ILE A 29 -4.310 -2.692 6.288 1.00 0.00 C ATOM 379 C ILE A 29 -4.619 -3.103 4.847 1.00 0.00 C ATOM 380 O ILE A 29 -3.713 -3.216 4.022 1.00 0.00 O ATOM 381 CB ILE A 29 -4.200 -1.179 6.486 1.00 0.00 C ATOM 382 CG1 ILE A 29 -4.043 -0.829 7.967 1.00 0.00 C ATOM 383 CG2 ILE A 29 -5.389 -0.456 5.849 1.00 0.00 C ATOM 384 CD1 ILE A 29 -2.665 -0.226 8.245 1.00 0.00 C ATOM 0 H ILE A 29 -2.230 -2.866 6.474 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.155 -3.010 6.898 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.301 -0.832 5.977 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.819 -0.123 8.262 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.181 -1.725 8.573 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.287 0.618 6.004 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.414 -0.668 4.780 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.314 -0.803 6.309 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.580 0.014 9.305 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.892 -0.944 7.972 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.540 0.683 7.656 1.00 0.00 H new ATOM 396 N PHE A 30 -5.901 -3.316 4.588 1.00 0.00 N ATOM 397 CA PHE A 30 -6.340 -3.712 3.261 1.00 0.00 C ATOM 398 C PHE A 30 -7.010 -2.544 2.534 1.00 0.00 C ATOM 399 O PHE A 30 -8.022 -2.019 2.996 1.00 0.00 O ATOM 400 CB PHE A 30 -7.362 -4.836 3.446 1.00 0.00 C ATOM 401 CG PHE A 30 -6.737 -6.206 3.717 1.00 0.00 C ATOM 402 CD1 PHE A 30 -6.207 -6.482 4.938 1.00 0.00 C ATOM 403 CD2 PHE A 30 -6.713 -7.148 2.736 1.00 0.00 C ATOM 404 CE1 PHE A 30 -5.627 -7.754 5.190 1.00 0.00 C ATOM 405 CE2 PHE A 30 -6.133 -8.420 2.988 1.00 0.00 C ATOM 406 CZ PHE A 30 -5.603 -8.696 4.209 1.00 0.00 C ATOM 0 H PHE A 30 -6.649 -3.222 5.275 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.485 -4.033 2.666 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.023 -4.579 4.274 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.981 -4.901 2.551 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.227 -5.734 5.717 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.135 -6.929 1.766 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.205 -7.973 6.160 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.113 -9.168 2.209 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.163 -9.663 4.400 1.00 0.00 H new ATOM 416 N LEU A 31 -6.419 -2.172 1.409 1.00 0.00 N ATOM 417 CA LEU A 31 -6.946 -1.076 0.614 1.00 0.00 C ATOM 418 C LEU A 31 -8.255 -1.513 -0.046 1.00 0.00 C ATOM 419 O LEU A 31 -8.567 -2.702 -0.085 1.00 0.00 O ATOM 420 CB LEU A 31 -5.893 -0.580 -0.380 1.00 0.00 C ATOM 421 CG LEU A 31 -4.434 -0.813 0.018 1.00 0.00 C ATOM 422 CD1 LEU A 31 -3.485 -0.046 -0.906 1.00 0.00 C ATOM 423 CD2 LEU A 31 -4.204 -0.466 1.490 1.00 0.00 C ATOM 0 H LEU A 31 -5.580 -2.610 1.029 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.178 -0.222 1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.070 -1.067 -1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.041 0.489 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.213 -1.874 -0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.454 -0.229 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.625 -0.383 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.699 1.021 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.159 -0.641 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.449 0.583 1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.840 -1.092 2.115 1.00 0.00 H new ATOM 435 N PRO A 32 -9.005 -0.502 -0.560 1.00 0.00 N ATOM 436 CA PRO A 32 -10.274 -0.771 -1.216 1.00 0.00 C ATOM 437 C PRO A 32 -10.056 -1.365 -2.609 1.00 0.00 C ATOM 438 O PRO A 32 -8.987 -1.206 -3.195 1.00 0.00 O ATOM 439 CB PRO A 32 -10.992 0.569 -1.246 1.00 0.00 C ATOM 440 CG PRO A 32 -9.918 1.622 -1.030 1.00 0.00 C ATOM 441 CD PRO A 32 -8.667 0.918 -0.531 1.00 0.00 C ATOM 0 HA PRO A 32 -10.871 -1.516 -0.690 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.500 0.719 -2.199 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -11.753 0.622 -0.467 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.712 2.153 -1.959 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.252 2.365 -0.306 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.810 1.134 -1.169 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.405 1.242 0.476 1.00 0.00 H new ATOM 449 N SER A 33 -11.088 -2.035 -3.099 1.00 0.00 N ATOM 450 CA SER A 33 -11.024 -2.654 -4.412 1.00 0.00 C ATOM 451 C SER A 33 -11.803 -1.813 -5.426 1.00 0.00 C ATOM 452 O SER A 33 -11.407 -1.708 -6.586 1.00 0.00 O ATOM 453 CB SER A 33 -11.570 -4.082 -4.376 1.00 0.00 C ATOM 454 OG SER A 33 -12.936 -4.121 -3.972 1.00 0.00 O ATOM 0 H SER A 33 -11.974 -2.163 -2.610 1.00 0.00 H new ATOM 0 HA SER A 33 -9.978 -2.702 -4.716 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.471 -4.533 -5.363 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.972 -4.682 -3.690 1.00 0.00 H new ATOM 0 HG SER A 33 -13.248 -5.050 -3.963 1.00 0.00 H new ATOM 460 N ASP A 34 -12.896 -1.234 -4.951 1.00 0.00 N ATOM 461 CA ASP A 34 -13.734 -0.405 -5.801 1.00 0.00 C ATOM 462 C ASP A 34 -12.847 0.513 -6.644 1.00 0.00 C ATOM 463 O ASP A 34 -13.195 0.852 -7.773 1.00 0.00 O ATOM 464 CB ASP A 34 -14.666 0.474 -4.965 1.00 0.00 C ATOM 465 CG ASP A 34 -15.712 -0.287 -4.147 1.00 0.00 C ATOM 466 OD1 ASP A 34 -15.304 -1.245 -3.456 1.00 0.00 O ATOM 467 OD2 ASP A 34 -16.895 0.107 -4.231 1.00 0.00 O ATOM 0 H ASP A 34 -13.221 -1.323 -3.988 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.330 -1.063 -6.433 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.062 1.074 -4.285 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.181 1.167 -5.630 1.00 0.00 H new ATOM 472 N GLY A 35 -11.718 0.890 -6.061 1.00 0.00 N ATOM 473 CA GLY A 35 -10.779 1.763 -6.745 1.00 0.00 C ATOM 474 C GLY A 35 -10.465 3.000 -5.900 1.00 0.00 C ATOM 475 O GLY A 35 -9.644 3.829 -6.289 1.00 0.00 O ATOM 0 H GLY A 35 -11.433 0.607 -5.123 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.858 1.219 -6.956 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.195 2.070 -7.705 1.00 0.00 H new ATOM 479 N GLN A 36 -11.135 3.084 -4.760 1.00 0.00 N ATOM 480 CA GLN A 36 -10.938 4.205 -3.857 1.00 0.00 C ATOM 481 C GLN A 36 -9.450 4.379 -3.545 1.00 0.00 C ATOM 482 O GLN A 36 -8.639 3.513 -3.866 1.00 0.00 O ATOM 483 CB GLN A 36 -11.751 4.025 -2.574 1.00 0.00 C ATOM 484 CG GLN A 36 -13.158 4.605 -2.730 1.00 0.00 C ATOM 485 CD GLN A 36 -14.011 3.732 -3.652 1.00 0.00 C ATOM 486 OE1 GLN A 36 -14.778 2.889 -3.217 1.00 0.00 O ATOM 487 NE2 GLN A 36 -13.836 3.980 -4.947 1.00 0.00 N ATOM 0 H GLN A 36 -11.815 2.394 -4.441 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.294 5.110 -4.349 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.816 2.966 -2.326 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.242 4.516 -1.745 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.634 4.682 -1.753 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.096 5.615 -3.134 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.178 4.700 -5.244 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.360 3.450 -5.643 1.00 0.00 H new ATOM 496 N ALA A 37 -9.137 5.506 -2.921 1.00 0.00 N ATOM 497 CA ALA A 37 -7.762 5.805 -2.561 1.00 0.00 C ATOM 498 C ALA A 37 -7.659 5.960 -1.042 1.00 0.00 C ATOM 499 O ALA A 37 -8.347 6.791 -0.452 1.00 0.00 O ATOM 500 CB ALA A 37 -7.299 7.057 -3.308 1.00 0.00 C ATOM 0 H ALA A 37 -9.813 6.223 -2.656 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.102 4.988 -2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.267 7.281 -3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.363 6.884 -4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.936 7.899 -3.037 1.00 0.00 H new ATOM 506 N LEU A 38 -6.794 5.148 -0.453 1.00 0.00 N ATOM 507 CA LEU A 38 -6.592 5.185 0.985 1.00 0.00 C ATOM 508 C LEU A 38 -5.452 6.153 1.311 1.00 0.00 C ATOM 509 O LEU A 38 -4.280 5.801 1.185 1.00 0.00 O ATOM 510 CB LEU A 38 -6.375 3.773 1.533 1.00 0.00 C ATOM 511 CG LEU A 38 -6.649 3.583 3.026 1.00 0.00 C ATOM 512 CD1 LEU A 38 -8.053 4.069 3.391 1.00 0.00 C ATOM 513 CD2 LEU A 38 -6.418 2.130 3.445 1.00 0.00 C ATOM 0 H LEU A 38 -6.225 4.460 -0.946 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.484 5.562 1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.013 3.087 0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.344 3.482 1.333 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.941 4.195 3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.223 3.923 4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.145 5.128 3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.793 3.503 2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.620 2.022 4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.086 1.478 2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.384 1.853 3.242 1.00 0.00 H new ATOM 525 N VAL A 39 -5.836 7.352 1.723 1.00 0.00 N ATOM 526 CA VAL A 39 -4.861 8.372 2.068 1.00 0.00 C ATOM 527 C VAL A 39 -4.163 7.984 3.373 1.00 0.00 C ATOM 528 O VAL A 39 -4.811 7.840 4.409 1.00 0.00 O ATOM 529 CB VAL A 39 -5.539 9.742 2.137 1.00 0.00 C ATOM 530 CG1 VAL A 39 -4.894 10.620 3.212 1.00 0.00 C ATOM 531 CG2 VAL A 39 -5.512 10.436 0.774 1.00 0.00 C ATOM 0 H VAL A 39 -6.809 7.640 1.826 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.093 8.443 1.297 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.582 9.586 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.395 11.588 3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.988 10.134 4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.839 10.764 2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.000 11.408 0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.478 10.573 0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.038 9.822 0.043 1.00 0.00 H new ATOM 541 N LEU A 40 -2.851 7.827 3.281 1.00 0.00 N ATOM 542 CA LEU A 40 -2.058 7.459 4.442 1.00 0.00 C ATOM 543 C LEU A 40 -1.341 8.700 4.979 1.00 0.00 C ATOM 544 O LEU A 40 -1.168 9.682 4.259 1.00 0.00 O ATOM 545 CB LEU A 40 -1.115 6.303 4.102 1.00 0.00 C ATOM 546 CG LEU A 40 -1.766 4.927 3.957 1.00 0.00 C ATOM 547 CD1 LEU A 40 -0.709 3.823 3.900 1.00 0.00 C ATOM 548 CD2 LEU A 40 -2.789 4.684 5.069 1.00 0.00 C ATOM 0 H LEU A 40 -2.317 7.948 2.421 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.701 7.091 5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.603 6.541 3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.352 6.242 4.878 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.307 4.904 3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.199 2.855 3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.053 3.991 3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.120 3.835 4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.237 3.698 4.942 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.292 4.735 6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.567 5.445 5.020 1.00 0.00 H new ATOM 560 N GLY A 41 -0.944 8.615 6.240 1.00 0.00 N ATOM 561 CA GLY A 41 -0.250 9.718 6.882 1.00 0.00 C ATOM 562 C GLY A 41 -0.333 9.606 8.406 1.00 0.00 C ATOM 563 O GLY A 41 -0.539 8.518 8.941 1.00 0.00 O ATOM 0 H GLY A 41 -1.090 7.799 6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.795 9.725 6.571 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.686 10.664 6.559 1.00 0.00 H new ATOM 567 N ARG A 42 -0.168 10.746 9.061 1.00 0.00 N ATOM 568 CA ARG A 42 -0.221 10.789 10.513 1.00 0.00 C ATOM 569 C ARG A 42 -1.547 10.211 11.012 1.00 0.00 C ATOM 570 O ARG A 42 -2.601 10.480 10.438 1.00 0.00 O ATOM 571 CB ARG A 42 -0.071 12.222 11.027 1.00 0.00 C ATOM 572 CG ARG A 42 1.280 12.418 11.717 1.00 0.00 C ATOM 573 CD ARG A 42 1.385 13.816 12.330 1.00 0.00 C ATOM 574 NE ARG A 42 1.378 14.840 11.261 1.00 0.00 N ATOM 575 CZ ARG A 42 1.425 16.160 11.485 1.00 0.00 C ATOM 576 NH1 ARG A 42 1.480 16.625 12.740 1.00 0.00 N ATOM 577 NH2 ARG A 42 1.415 17.015 10.453 1.00 0.00 N ATOM 0 H ARG A 42 0.002 11.647 8.613 1.00 0.00 H new ATOM 0 HA ARG A 42 0.607 10.190 10.894 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.164 12.922 10.196 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.876 12.448 11.726 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.408 11.665 12.495 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.085 12.271 10.997 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.553 13.986 13.013 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.300 13.897 12.916 1.00 0.00 H new ATOM 0 HE ARG A 42 1.335 14.521 10.293 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.486 15.974 13.525 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.516 17.630 12.910 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.372 16.661 9.498 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.451 18.020 10.623 1.00 0.00 H new ATOM 591 N GLY A 43 -1.451 9.429 12.077 1.00 0.00 N ATOM 592 CA GLY A 43 -2.630 8.811 12.661 1.00 0.00 C ATOM 593 C GLY A 43 -2.359 7.350 13.025 1.00 0.00 C ATOM 594 O GLY A 43 -1.231 6.875 12.905 1.00 0.00 O ATOM 0 H GLY A 43 -0.575 9.209 12.551 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.930 9.362 13.552 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.461 8.866 11.957 1.00 0.00 H new ATOM 598 N PRO A 44 -3.442 6.660 13.474 1.00 0.00 N ATOM 599 CA PRO A 44 -3.333 5.263 13.856 1.00 0.00 C ATOM 600 C PRO A 44 -3.227 4.363 12.623 1.00 0.00 C ATOM 601 O PRO A 44 -3.123 3.144 12.747 1.00 0.00 O ATOM 602 CB PRO A 44 -4.573 4.985 14.690 1.00 0.00 C ATOM 603 CG PRO A 44 -5.556 6.096 14.358 1.00 0.00 C ATOM 604 CD PRO A 44 -4.794 7.190 13.629 1.00 0.00 C ATOM 0 HA PRO A 44 -2.429 5.053 14.428 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.993 4.008 14.452 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.335 4.979 15.754 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.366 5.716 13.736 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.010 6.488 15.268 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.246 7.411 12.662 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.792 8.119 14.199 1.00 0.00 H new ATOM 612 N LEU A 45 -3.258 5.000 11.462 1.00 0.00 N ATOM 613 CA LEU A 45 -3.168 4.273 10.207 1.00 0.00 C ATOM 614 C LEU A 45 -1.841 3.513 10.157 1.00 0.00 C ATOM 615 O LEU A 45 -1.827 2.285 10.079 1.00 0.00 O ATOM 616 CB LEU A 45 -3.379 5.218 9.023 1.00 0.00 C ATOM 617 CG LEU A 45 -4.810 5.314 8.488 1.00 0.00 C ATOM 618 CD1 LEU A 45 -5.163 4.088 7.645 1.00 0.00 C ATOM 619 CD2 LEU A 45 -5.807 5.534 9.628 1.00 0.00 C ATOM 0 H LEU A 45 -3.344 6.012 11.364 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.964 3.532 10.139 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.055 6.216 9.318 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.728 4.899 8.209 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.873 6.183 7.833 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.185 4.181 7.277 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.478 4.018 6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.078 3.189 8.256 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.816 5.599 9.221 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.750 4.700 10.327 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.566 6.461 10.149 1.00 0.00 H new ATOM 631 N THR A 46 -0.757 4.274 10.206 1.00 0.00 N ATOM 632 CA THR A 46 0.571 3.688 10.168 1.00 0.00 C ATOM 633 C THR A 46 1.326 3.991 11.464 1.00 0.00 C ATOM 634 O THR A 46 2.534 3.776 11.548 1.00 0.00 O ATOM 635 CB THR A 46 1.281 4.207 8.916 1.00 0.00 C ATOM 636 OG1 THR A 46 1.283 5.622 9.079 1.00 0.00 O ATOM 637 CG2 THR A 46 0.464 3.980 7.642 1.00 0.00 C ATOM 0 H THR A 46 -0.772 5.292 10.272 1.00 0.00 H new ATOM 0 HA THR A 46 0.521 2.601 10.105 1.00 0.00 H new ATOM 0 HB THR A 46 2.249 3.716 8.819 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.423 6.051 8.209 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.013 4.367 6.784 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.287 2.913 7.509 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.491 4.499 7.725 1.00 0.00 H new ATOM 645 N GLN A 47 0.582 4.487 12.441 1.00 0.00 N ATOM 646 CA GLN A 47 1.165 4.823 13.729 1.00 0.00 C ATOM 647 C GLN A 47 2.167 5.969 13.576 1.00 0.00 C ATOM 648 O GLN A 47 3.025 6.167 14.435 1.00 0.00 O ATOM 649 CB GLN A 47 1.826 3.599 14.367 1.00 0.00 C ATOM 650 CG GLN A 47 0.775 2.587 14.829 1.00 0.00 C ATOM 651 CD GLN A 47 0.690 2.543 16.356 1.00 0.00 C ATOM 652 OE1 GLN A 47 1.617 2.898 17.066 1.00 0.00 O ATOM 653 NE2 GLN A 47 -0.470 2.088 16.820 1.00 0.00 N ATOM 0 H GLN A 47 -0.420 4.664 12.367 1.00 0.00 H new ATOM 0 HA GLN A 47 0.366 5.152 14.393 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.498 3.129 13.649 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.434 3.911 15.216 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.198 2.853 14.415 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.025 1.597 14.446 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.204 1.807 16.170 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.625 2.020 17.826 1.00 0.00 H new ATOM 662 N VAL A 48 2.024 6.694 12.476 1.00 0.00 N ATOM 663 CA VAL A 48 2.906 7.815 12.199 1.00 0.00 C ATOM 664 C VAL A 48 2.479 9.015 13.046 1.00 0.00 C ATOM 665 O VAL A 48 1.335 9.459 12.969 1.00 0.00 O ATOM 666 CB VAL A 48 2.915 8.115 10.699 1.00 0.00 C ATOM 667 CG1 VAL A 48 3.485 9.508 10.422 1.00 0.00 C ATOM 668 CG2 VAL A 48 3.689 7.043 9.929 1.00 0.00 C ATOM 0 H VAL A 48 1.311 6.527 11.766 1.00 0.00 H new ATOM 0 HA VAL A 48 3.932 7.571 12.474 1.00 0.00 H new ATOM 0 HB VAL A 48 1.883 8.099 10.348 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.480 9.696 9.348 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.874 10.258 10.925 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.507 9.564 10.796 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.680 7.281 8.865 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.719 7.012 10.285 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.221 6.072 10.088 1.00 0.00 H new ATOM 678 N THR A 49 3.423 9.506 13.837 1.00 0.00 N ATOM 679 CA THR A 49 3.159 10.646 14.698 1.00 0.00 C ATOM 680 C THR A 49 4.227 11.723 14.499 1.00 0.00 C ATOM 681 O THR A 49 4.525 12.484 15.418 1.00 0.00 O ATOM 682 CB THR A 49 3.068 10.139 16.139 1.00 0.00 C ATOM 683 OG1 THR A 49 3.100 11.326 16.927 1.00 0.00 O ATOM 684 CG2 THR A 49 4.319 9.372 16.569 1.00 0.00 C ATOM 0 H THR A 49 4.371 9.135 13.899 1.00 0.00 H new ATOM 0 HA THR A 49 2.211 11.122 14.445 1.00 0.00 H new ATOM 0 HB THR A 49 2.194 9.496 16.243 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.990 11.732 16.871 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.203 9.034 17.599 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.459 8.509 15.918 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.189 10.025 16.497 1.00 0.00 H new ATOM 692 N ASP A 50 4.774 11.754 13.293 1.00 0.00 N ATOM 693 CA ASP A 50 5.803 12.725 12.961 1.00 0.00 C ATOM 694 C ASP A 50 5.169 13.893 12.203 1.00 0.00 C ATOM 695 O ASP A 50 4.563 13.699 11.151 1.00 0.00 O ATOM 696 CB ASP A 50 6.877 12.106 12.065 1.00 0.00 C ATOM 697 CG ASP A 50 8.068 13.016 11.761 1.00 0.00 C ATOM 698 OD1 ASP A 50 8.079 14.139 12.309 1.00 0.00 O ATOM 699 OD2 ASP A 50 8.942 12.567 10.987 1.00 0.00 O ATOM 0 H ASP A 50 4.524 11.122 12.533 1.00 0.00 H new ATOM 0 HA ASP A 50 6.261 13.062 13.891 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.246 11.197 12.540 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.416 11.809 11.123 1.00 0.00 H new ATOM 704 N ARG A 51 5.333 15.081 12.767 1.00 0.00 N ATOM 705 CA ARG A 51 4.785 16.281 12.157 1.00 0.00 C ATOM 706 C ARG A 51 5.204 16.368 10.688 1.00 0.00 C ATOM 707 O ARG A 51 4.486 16.935 9.866 1.00 0.00 O ATOM 708 CB ARG A 51 5.257 17.537 12.891 1.00 0.00 C ATOM 709 CG ARG A 51 4.650 17.613 14.293 1.00 0.00 C ATOM 710 CD ARG A 51 5.477 18.527 15.200 1.00 0.00 C ATOM 711 NE ARG A 51 5.493 17.992 16.579 1.00 0.00 N ATOM 712 CZ ARG A 51 6.407 18.321 17.502 1.00 0.00 C ATOM 713 NH1 ARG A 51 7.385 19.185 17.199 1.00 0.00 N ATOM 714 NH2 ARG A 51 6.343 17.786 18.729 1.00 0.00 N ATOM 0 H ARG A 51 5.837 15.238 13.640 1.00 0.00 H new ATOM 0 HA ARG A 51 3.699 16.222 12.225 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.345 17.534 12.961 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.977 18.423 12.321 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.627 17.985 14.231 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.600 16.614 14.726 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.496 18.605 14.820 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.057 19.533 15.196 1.00 0.00 H new ATOM 0 HE ARG A 51 4.763 17.331 16.844 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.434 19.593 16.265 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.080 19.435 17.902 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.599 17.128 18.960 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.039 18.036 19.432 1.00 0.00 H new ATOM 728 N LYS A 52 6.366 15.799 10.403 1.00 0.00 N ATOM 729 CA LYS A 52 6.890 15.806 9.047 1.00 0.00 C ATOM 730 C LYS A 52 5.893 15.113 8.116 1.00 0.00 C ATOM 731 O LYS A 52 5.964 15.269 6.898 1.00 0.00 O ATOM 732 CB LYS A 52 8.292 15.194 9.012 1.00 0.00 C ATOM 733 CG LYS A 52 9.287 16.059 9.787 1.00 0.00 C ATOM 734 CD LYS A 52 10.122 16.921 8.837 1.00 0.00 C ATOM 735 CE LYS A 52 11.576 16.449 8.803 1.00 0.00 C ATOM 736 NZ LYS A 52 12.364 17.264 7.852 1.00 0.00 N ATOM 0 H LYS A 52 6.960 15.330 11.087 1.00 0.00 H new ATOM 0 HA LYS A 52 7.004 16.829 8.688 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.266 14.192 9.440 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.622 15.091 7.978 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.750 16.699 10.487 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.945 15.422 10.378 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.698 16.877 7.834 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.082 17.963 9.155 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.011 16.521 9.800 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.617 15.399 8.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.349 16.930 7.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.958 17.175 6.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.340 18.261 8.146 1.00 0.00 H new ATOM 750 N CYS A 53 4.987 14.362 8.725 1.00 0.00 N ATOM 751 CA CYS A 53 3.977 13.645 7.966 1.00 0.00 C ATOM 752 C CYS A 53 2.705 14.496 7.934 1.00 0.00 C ATOM 753 O CYS A 53 2.581 15.460 8.688 1.00 0.00 O ATOM 754 CB CYS A 53 3.717 12.253 8.544 1.00 0.00 C ATOM 755 SG CYS A 53 4.139 10.972 7.307 1.00 0.00 S ATOM 0 H CYS A 53 4.932 14.235 9.735 1.00 0.00 H new ATOM 0 HA CYS A 53 4.331 13.484 6.948 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.311 12.108 9.446 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.670 12.160 8.833 1.00 0.00 H new ATOM 0 HG CYS A 53 3.421 11.148 6.238 1.00 0.00 H new ATOM 761 N SER A 54 1.794 14.108 7.054 1.00 0.00 N ATOM 762 CA SER A 54 0.537 14.823 6.914 1.00 0.00 C ATOM 763 C SER A 54 -0.609 13.831 6.705 1.00 0.00 C ATOM 764 O SER A 54 -0.464 12.856 5.969 1.00 0.00 O ATOM 765 CB SER A 54 0.596 15.819 5.754 1.00 0.00 C ATOM 766 OG SER A 54 0.020 17.076 6.099 1.00 0.00 O ATOM 0 H SER A 54 1.901 13.308 6.431 1.00 0.00 H new ATOM 0 HA SER A 54 0.359 15.385 7.831 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.634 15.966 5.455 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.072 15.404 4.893 1.00 0.00 H new ATOM 0 HG SER A 54 0.079 17.684 5.333 1.00 0.00 H new ATOM 772 N ARG A 55 -1.722 14.115 7.365 1.00 0.00 N ATOM 773 CA ARG A 55 -2.892 13.259 7.260 1.00 0.00 C ATOM 774 C ARG A 55 -3.062 12.766 5.822 1.00 0.00 C ATOM 775 O ARG A 55 -3.511 11.643 5.596 1.00 0.00 O ATOM 776 CB ARG A 55 -4.158 14.003 7.690 1.00 0.00 C ATOM 777 CG ARG A 55 -4.593 13.580 9.095 1.00 0.00 C ATOM 778 CD ARG A 55 -6.112 13.677 9.251 1.00 0.00 C ATOM 779 NE ARG A 55 -6.524 15.097 9.326 1.00 0.00 N ATOM 780 CZ ARG A 55 -6.532 15.818 10.455 1.00 0.00 C ATOM 781 NH1 ARG A 55 -6.152 15.257 11.611 1.00 0.00 N ATOM 782 NH2 ARG A 55 -6.922 17.100 10.428 1.00 0.00 N ATOM 0 H ARG A 55 -1.839 14.925 7.974 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.741 12.408 7.924 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.977 15.078 7.670 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.961 13.802 6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.269 12.557 9.288 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.106 14.214 9.836 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.604 13.191 8.408 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.428 13.150 10.152 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.820 15.555 8.464 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.857 14.281 11.631 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.158 15.806 12.471 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.213 17.526 9.548 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.928 17.649 11.287 1.00 0.00 H new ATOM 796 N ASN A 56 -2.694 13.629 4.887 1.00 0.00 N ATOM 797 CA ASN A 56 -2.800 13.295 3.477 1.00 0.00 C ATOM 798 C ASN A 56 -1.428 13.442 2.817 1.00 0.00 C ATOM 799 O ASN A 56 -1.267 14.218 1.877 1.00 0.00 O ATOM 800 CB ASN A 56 -3.772 14.234 2.760 1.00 0.00 C ATOM 801 CG ASN A 56 -3.792 15.613 3.422 1.00 0.00 C ATOM 802 OD1 ASN A 56 -2.766 16.201 3.722 1.00 0.00 O ATOM 803 ND2 ASN A 56 -5.014 16.094 3.633 1.00 0.00 N ATOM 0 H ASN A 56 -2.322 14.559 5.078 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.165 12.271 3.400 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.482 14.333 1.714 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.774 13.805 2.774 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.134 17.008 4.070 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.831 15.549 3.357 1.00 0.00 H new ATOM 810 N GLN A 57 -0.473 12.684 3.337 1.00 0.00 N ATOM 811 CA GLN A 57 0.881 12.721 2.810 1.00 0.00 C ATOM 812 C GLN A 57 0.920 12.121 1.403 1.00 0.00 C ATOM 813 O GLN A 57 1.459 12.730 0.480 1.00 0.00 O ATOM 814 CB GLN A 57 1.852 11.994 3.743 1.00 0.00 C ATOM 815 CG GLN A 57 3.183 11.718 3.042 1.00 0.00 C ATOM 816 CD GLN A 57 3.817 13.017 2.539 1.00 0.00 C ATOM 817 OE1 GLN A 57 3.415 14.113 2.895 1.00 0.00 O ATOM 818 NE2 GLN A 57 4.829 12.834 1.695 1.00 0.00 N ATOM 0 H GLN A 57 -0.610 12.041 4.117 1.00 0.00 H new ATOM 0 HA GLN A 57 1.198 13.762 2.749 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.025 12.596 4.635 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.409 11.054 4.074 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.865 11.219 3.731 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.023 11.039 2.205 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.115 11.889 1.439 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.319 13.639 1.304 1.00 0.00 H new ATOM 827 N VAL A 58 0.341 10.935 1.284 1.00 0.00 N ATOM 828 CA VAL A 58 0.303 10.247 0.005 1.00 0.00 C ATOM 829 C VAL A 58 -1.058 9.567 -0.163 1.00 0.00 C ATOM 830 O VAL A 58 -1.783 9.372 0.812 1.00 0.00 O ATOM 831 CB VAL A 58 1.476 9.271 -0.100 1.00 0.00 C ATOM 832 CG1 VAL A 58 2.783 10.013 -0.388 1.00 0.00 C ATOM 833 CG2 VAL A 58 1.596 8.421 1.166 1.00 0.00 C ATOM 0 H VAL A 58 -0.105 10.433 2.052 1.00 0.00 H new ATOM 0 HA VAL A 58 0.415 10.957 -0.814 1.00 0.00 H new ATOM 0 HB VAL A 58 1.280 8.601 -0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.601 9.296 -0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.694 10.555 -1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.986 10.718 0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.438 7.736 1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.758 9.070 2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.678 7.850 1.309 1.00 0.00 H new ATOM 843 N GLU A 59 -1.363 9.223 -1.405 1.00 0.00 N ATOM 844 CA GLU A 59 -2.623 8.569 -1.713 1.00 0.00 C ATOM 845 C GLU A 59 -2.369 7.214 -2.376 1.00 0.00 C ATOM 846 O GLU A 59 -1.809 7.149 -3.469 1.00 0.00 O ATOM 847 CB GLU A 59 -3.500 9.457 -2.598 1.00 0.00 C ATOM 848 CG GLU A 59 -4.655 8.657 -3.204 1.00 0.00 C ATOM 849 CD GLU A 59 -5.691 9.585 -3.841 1.00 0.00 C ATOM 850 OE1 GLU A 59 -6.473 10.178 -3.068 1.00 0.00 O ATOM 851 OE2 GLU A 59 -5.676 9.681 -5.088 1.00 0.00 O ATOM 0 H GLU A 59 -0.759 9.385 -2.211 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.160 8.400 -0.780 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.896 10.285 -2.010 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.896 9.892 -3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.270 7.967 -3.955 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.129 8.054 -2.430 1.00 0.00 H new ATOM 858 N LEU A 60 -2.794 6.165 -1.687 1.00 0.00 N ATOM 859 CA LEU A 60 -2.620 4.815 -2.196 1.00 0.00 C ATOM 860 C LEU A 60 -3.930 4.339 -2.827 1.00 0.00 C ATOM 861 O LEU A 60 -5.010 4.623 -2.311 1.00 0.00 O ATOM 862 CB LEU A 60 -2.097 3.891 -1.094 1.00 0.00 C ATOM 863 CG LEU A 60 -0.595 3.967 -0.811 1.00 0.00 C ATOM 864 CD1 LEU A 60 -0.317 4.775 0.458 1.00 0.00 C ATOM 865 CD2 LEU A 60 0.023 2.569 -0.748 1.00 0.00 C ATOM 0 H LEU A 60 -3.258 6.223 -0.781 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.864 4.798 -2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.632 4.119 -0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.345 2.864 -1.361 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.118 4.492 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.758 4.814 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.701 5.788 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.809 4.300 1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.091 2.652 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.454 1.996 0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.127 2.061 -1.701 1.00 0.00 H new ATOM 877 N ILE A 61 -3.791 3.625 -3.934 1.00 0.00 N ATOM 878 CA ILE A 61 -4.950 3.107 -4.641 1.00 0.00 C ATOM 879 C ILE A 61 -4.697 1.649 -5.028 1.00 0.00 C ATOM 880 O ILE A 61 -3.764 1.353 -5.773 1.00 0.00 O ATOM 881 CB ILE A 61 -5.299 4.007 -5.828 1.00 0.00 C ATOM 882 CG1 ILE A 61 -5.766 5.385 -5.354 1.00 0.00 C ATOM 883 CG2 ILE A 61 -6.328 3.336 -6.740 1.00 0.00 C ATOM 884 CD1 ILE A 61 -5.977 6.329 -6.539 1.00 0.00 C ATOM 0 H ILE A 61 -2.893 3.393 -4.359 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.827 3.117 -3.994 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.395 4.159 -6.418 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.696 5.285 -4.794 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.028 5.809 -4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.559 3.996 -7.576 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.921 2.399 -7.120 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.238 3.134 -6.175 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.309 7.301 -6.175 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.040 6.446 -7.083 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.733 5.914 -7.205 1.00 0.00 H new ATOM 896 N ALA A 62 -5.545 0.775 -4.504 1.00 0.00 N ATOM 897 CA ALA A 62 -5.425 -0.645 -4.785 1.00 0.00 C ATOM 898 C ALA A 62 -5.915 -0.923 -6.208 1.00 0.00 C ATOM 899 O ALA A 62 -7.093 -0.735 -6.509 1.00 0.00 O ATOM 900 CB ALA A 62 -6.202 -1.441 -3.735 1.00 0.00 C ATOM 0 H ALA A 62 -6.318 1.024 -3.886 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.383 -0.960 -4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.112 -2.507 -3.946 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.796 -1.231 -2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.253 -1.153 -3.764 1.00 0.00 H new ATOM 906 N ASP A 63 -4.987 -1.365 -7.044 1.00 0.00 N ATOM 907 CA ASP A 63 -5.311 -1.670 -8.427 1.00 0.00 C ATOM 908 C ASP A 63 -5.080 -3.160 -8.684 1.00 0.00 C ATOM 909 O ASP A 63 -4.000 -3.559 -9.117 1.00 0.00 O ATOM 910 CB ASP A 63 -4.419 -0.881 -9.388 1.00 0.00 C ATOM 911 CG ASP A 63 -5.001 0.451 -9.864 1.00 0.00 C ATOM 912 OD1 ASP A 63 -6.247 0.558 -9.867 1.00 0.00 O ATOM 913 OD2 ASP A 63 -4.188 1.333 -10.215 1.00 0.00 O ATOM 0 H ASP A 63 -4.011 -1.519 -6.790 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.353 -1.399 -8.597 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.464 -0.689 -8.899 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.211 -1.502 -10.260 1.00 0.00 H new ATOM 918 N PRO A 64 -6.139 -3.964 -8.397 1.00 0.00 N ATOM 919 CA PRO A 64 -6.062 -5.401 -8.592 1.00 0.00 C ATOM 920 C PRO A 64 -6.149 -5.759 -10.077 1.00 0.00 C ATOM 921 O PRO A 64 -6.088 -6.932 -10.442 1.00 0.00 O ATOM 922 CB PRO A 64 -7.211 -5.971 -7.776 1.00 0.00 C ATOM 923 CG PRO A 64 -8.164 -4.812 -7.533 1.00 0.00 C ATOM 924 CD PRO A 64 -7.433 -3.526 -7.882 1.00 0.00 C ATOM 0 HA PRO A 64 -5.111 -5.819 -8.263 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.708 -6.779 -8.312 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.853 -6.386 -6.834 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.060 -4.920 -8.145 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.488 -4.796 -6.493 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.981 -2.949 -8.627 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.315 -2.887 -7.007 1.00 0.00 H new ATOM 932 N GLU A 65 -6.289 -4.725 -10.895 1.00 0.00 N ATOM 933 CA GLU A 65 -6.384 -4.915 -12.332 1.00 0.00 C ATOM 934 C GLU A 65 -5.026 -5.325 -12.905 1.00 0.00 C ATOM 935 O GLU A 65 -4.957 -6.124 -13.838 1.00 0.00 O ATOM 936 CB GLU A 65 -6.910 -3.653 -13.018 1.00 0.00 C ATOM 937 CG GLU A 65 -6.186 -2.407 -12.504 1.00 0.00 C ATOM 938 CD GLU A 65 -6.279 -1.262 -13.515 1.00 0.00 C ATOM 939 OE1 GLU A 65 -7.337 -0.596 -13.521 1.00 0.00 O ATOM 940 OE2 GLU A 65 -5.291 -1.079 -14.258 1.00 0.00 O ATOM 0 H GLU A 65 -6.339 -3.753 -10.589 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.095 -5.718 -12.526 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.775 -3.738 -14.096 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.981 -3.556 -12.838 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.621 -2.095 -11.555 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.139 -2.643 -12.312 1.00 0.00 H new ATOM 947 N SER A 66 -3.979 -4.760 -12.322 1.00 0.00 N ATOM 948 CA SER A 66 -2.627 -5.057 -12.762 1.00 0.00 C ATOM 949 C SER A 66 -1.718 -5.277 -11.551 1.00 0.00 C ATOM 950 O SER A 66 -0.510 -5.058 -11.629 1.00 0.00 O ATOM 951 CB SER A 66 -2.075 -3.933 -13.643 1.00 0.00 C ATOM 952 OG SER A 66 -2.560 -4.016 -14.980 1.00 0.00 O ATOM 0 H SER A 66 -4.040 -4.098 -11.548 1.00 0.00 H new ATOM 0 HA SER A 66 -2.654 -5.969 -13.358 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.351 -2.969 -13.216 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.986 -3.979 -13.649 1.00 0.00 H new ATOM 0 HG SER A 66 -2.187 -3.281 -15.510 1.00 0.00 H new ATOM 958 N ARG A 67 -2.334 -5.706 -10.460 1.00 0.00 N ATOM 959 CA ARG A 67 -1.596 -5.958 -9.234 1.00 0.00 C ATOM 960 C ARG A 67 -0.618 -4.815 -8.959 1.00 0.00 C ATOM 961 O ARG A 67 0.548 -5.052 -8.648 1.00 0.00 O ATOM 962 CB ARG A 67 -0.821 -7.275 -9.318 1.00 0.00 C ATOM 963 CG ARG A 67 -1.724 -8.413 -9.797 1.00 0.00 C ATOM 964 CD ARG A 67 -2.802 -8.731 -8.759 1.00 0.00 C ATOM 965 NE ARG A 67 -3.557 -9.937 -9.166 1.00 0.00 N ATOM 966 CZ ARG A 67 -3.114 -11.191 -9.001 1.00 0.00 C ATOM 967 NH1 ARG A 67 -1.919 -11.411 -8.437 1.00 0.00 N ATOM 968 NH2 ARG A 67 -3.866 -12.226 -9.401 1.00 0.00 N ATOM 0 H ARG A 67 -3.336 -5.886 -10.399 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.318 -6.026 -8.420 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.021 -7.162 -10.001 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.408 -7.521 -8.340 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.193 -8.137 -10.741 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.124 -9.303 -9.988 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.343 -8.891 -7.783 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.481 -7.884 -8.657 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.471 -9.806 -9.599 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.346 -10.624 -8.133 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.582 -12.366 -8.312 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.776 -12.059 -9.831 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.528 -13.180 -9.275 1.00 0.00 H new ATOM 982 N THR A 68 -1.128 -3.599 -9.084 1.00 0.00 N ATOM 983 CA THR A 68 -0.314 -2.418 -8.853 1.00 0.00 C ATOM 984 C THR A 68 -1.019 -1.464 -7.887 1.00 0.00 C ATOM 985 O THR A 68 -2.143 -1.726 -7.460 1.00 0.00 O ATOM 986 CB THR A 68 -0.001 -1.786 -10.211 1.00 0.00 C ATOM 987 OG1 THR A 68 -1.216 -1.919 -10.944 1.00 0.00 O ATOM 988 CG2 THR A 68 1.012 -2.601 -11.017 1.00 0.00 C ATOM 0 H THR A 68 -2.096 -3.406 -9.342 1.00 0.00 H new ATOM 0 HA THR A 68 0.630 -2.677 -8.373 1.00 0.00 H new ATOM 0 HB THR A 68 0.383 -0.777 -10.062 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.103 -1.533 -11.838 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.198 -2.108 -11.971 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.945 -2.676 -10.459 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.615 -3.600 -11.196 1.00 0.00 H new ATOM 996 N VAL A 69 -0.331 -0.377 -7.571 1.00 0.00 N ATOM 997 CA VAL A 69 -0.878 0.617 -6.663 1.00 0.00 C ATOM 998 C VAL A 69 -0.368 2.003 -7.064 1.00 0.00 C ATOM 999 O VAL A 69 0.834 2.201 -7.233 1.00 0.00 O ATOM 1000 CB VAL A 69 -0.537 0.250 -5.217 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -1.104 1.282 -4.241 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -1.033 -1.157 -4.877 1.00 0.00 C ATOM 0 H VAL A 69 0.600 -0.163 -7.927 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.966 0.638 -6.731 1.00 0.00 H new ATOM 0 HB VAL A 69 0.548 0.256 -5.117 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.847 0.997 -3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.681 2.262 -4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.188 1.323 -4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.778 -1.393 -3.844 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.115 -1.202 -5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.560 -1.880 -5.542 1.00 0.00 H new ATOM 1012 N ALA A 70 -1.307 2.927 -7.203 1.00 0.00 N ATOM 1013 CA ALA A 70 -0.968 4.288 -7.581 1.00 0.00 C ATOM 1014 C ALA A 70 -0.660 5.100 -6.322 1.00 0.00 C ATOM 1015 O ALA A 70 -1.344 4.965 -5.309 1.00 0.00 O ATOM 1016 CB ALA A 70 -2.111 4.892 -8.399 1.00 0.00 C ATOM 0 H ALA A 70 -2.303 2.760 -7.061 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.077 4.301 -8.209 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.856 5.913 -8.682 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.270 4.295 -9.297 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.022 4.898 -7.801 1.00 0.00 H new ATOM 1022 N VAL A 71 0.371 5.927 -6.426 1.00 0.00 N ATOM 1023 CA VAL A 71 0.778 6.761 -5.308 1.00 0.00 C ATOM 1024 C VAL A 71 0.753 8.229 -5.738 1.00 0.00 C ATOM 1025 O VAL A 71 1.231 8.572 -6.818 1.00 0.00 O ATOM 1026 CB VAL A 71 2.146 6.312 -4.792 1.00 0.00 C ATOM 1027 CG1 VAL A 71 2.693 7.299 -3.758 1.00 0.00 C ATOM 1028 CG2 VAL A 71 2.078 4.897 -4.216 1.00 0.00 C ATOM 0 H VAL A 71 0.936 6.037 -7.268 1.00 0.00 H new ATOM 0 HA VAL A 71 0.081 6.654 -4.477 1.00 0.00 H new ATOM 0 HB VAL A 71 2.834 6.296 -5.637 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.666 6.956 -3.407 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.798 8.283 -4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.005 7.361 -2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.064 4.603 -3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.369 4.875 -3.389 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.753 4.204 -4.992 1.00 0.00 H new ATOM 1038 N LYS A 72 0.190 9.057 -4.869 1.00 0.00 N ATOM 1039 CA LYS A 72 0.097 10.480 -5.145 1.00 0.00 C ATOM 1040 C LYS A 72 0.372 11.263 -3.860 1.00 0.00 C ATOM 1041 O LYS A 72 -0.300 11.063 -2.850 1.00 0.00 O ATOM 1042 CB LYS A 72 -1.250 10.813 -5.791 1.00 0.00 C ATOM 1043 CG LYS A 72 -1.379 12.317 -6.045 1.00 0.00 C ATOM 1044 CD LYS A 72 -1.901 12.591 -7.457 1.00 0.00 C ATOM 1045 CE LYS A 72 -3.371 13.015 -7.425 1.00 0.00 C ATOM 1046 NZ LYS A 72 -3.585 14.207 -8.275 1.00 0.00 N ATOM 0 H LYS A 72 -0.206 8.769 -3.974 1.00 0.00 H new ATOM 0 HA LYS A 72 0.855 10.778 -5.869 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.350 10.272 -6.732 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.061 10.479 -5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.055 12.757 -5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.409 12.797 -5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.303 13.374 -7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.790 11.696 -8.070 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.000 12.195 -7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.670 13.233 -6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.588 14.481 -8.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.999 14.992 -7.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.319 13.986 -9.256 1.00 0.00 H new ATOM 1060 N GLN A 73 1.363 12.140 -3.940 1.00 0.00 N ATOM 1061 CA GLN A 73 1.736 12.954 -2.795 1.00 0.00 C ATOM 1062 C GLN A 73 0.819 14.175 -2.691 1.00 0.00 C ATOM 1063 O GLN A 73 0.921 15.102 -3.493 1.00 0.00 O ATOM 1064 CB GLN A 73 3.204 13.376 -2.878 1.00 0.00 C ATOM 1065 CG GLN A 73 3.522 14.460 -1.846 1.00 0.00 C ATOM 1066 CD GLN A 73 5.031 14.687 -1.736 1.00 0.00 C ATOM 1067 OE1 GLN A 73 5.834 13.782 -1.893 1.00 0.00 O ATOM 1068 NE2 GLN A 73 5.371 15.942 -1.459 1.00 0.00 N ATOM 0 H GLN A 73 1.919 12.304 -4.779 1.00 0.00 H new ATOM 0 HA GLN A 73 1.615 12.355 -1.892 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.845 12.510 -2.711 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.424 13.746 -3.879 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.030 15.391 -2.128 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.122 14.170 -0.874 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.648 16.652 -1.340 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.355 16.195 -1.366 1.00 0.00 H new ATOM 1077 N LEU A 74 -0.055 14.135 -1.696 1.00 0.00 N ATOM 1078 CA LEU A 74 -0.989 15.226 -1.477 1.00 0.00 C ATOM 1079 C LEU A 74 -0.469 16.117 -0.346 1.00 0.00 C ATOM 1080 O LEU A 74 -1.089 17.125 -0.011 1.00 0.00 O ATOM 1081 CB LEU A 74 -2.399 14.685 -1.234 1.00 0.00 C ATOM 1082 CG LEU A 74 -2.721 13.338 -1.886 1.00 0.00 C ATOM 1083 CD1 LEU A 74 -3.600 12.483 -0.971 1.00 0.00 C ATOM 1084 CD2 LEU A 74 -3.351 13.534 -3.266 1.00 0.00 C ATOM 0 H LEU A 74 -0.136 13.364 -1.033 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.062 15.849 -2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.551 14.592 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.117 15.422 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.786 12.797 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.814 11.531 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.078 12.301 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.535 13.007 -0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.570 12.562 -3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.275 14.104 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.658 14.076 -3.909 1.00 0.00 H new ATOM 1096 N GLY A 75 0.663 15.712 0.210 1.00 0.00 N ATOM 1097 CA GLY A 75 1.273 16.461 1.296 1.00 0.00 C ATOM 1098 C GLY A 75 2.302 17.460 0.763 1.00 0.00 C ATOM 1099 O GLY A 75 2.133 18.010 -0.324 1.00 0.00 O ATOM 0 H GLY A 75 1.174 14.875 -0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.502 16.991 1.855 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.755 15.773 1.991 1.00 0.00 H new ATOM 1103 N VAL A 76 3.346 17.664 1.553 1.00 0.00 N ATOM 1104 CA VAL A 76 4.402 18.587 1.175 1.00 0.00 C ATOM 1105 C VAL A 76 5.732 17.833 1.106 1.00 0.00 C ATOM 1106 O VAL A 76 6.435 17.899 0.100 1.00 0.00 O ATOM 1107 CB VAL A 76 4.435 19.771 2.144 1.00 0.00 C ATOM 1108 CG1 VAL A 76 4.078 19.326 3.564 1.00 0.00 C ATOM 1109 CG2 VAL A 76 5.796 20.467 2.112 1.00 0.00 C ATOM 0 H VAL A 76 3.483 17.205 2.454 1.00 0.00 H new ATOM 0 HA VAL A 76 4.211 19.001 0.185 1.00 0.00 H new ATOM 0 HB VAL A 76 3.684 20.491 1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.109 20.186 4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.076 18.897 3.570 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.795 18.578 3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.793 21.305 2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.574 19.759 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.993 20.834 1.105 1.00 0.00 H new ATOM 1119 N ASN A 77 6.036 17.135 2.191 1.00 0.00 N ATOM 1120 CA ASN A 77 7.269 16.370 2.266 1.00 0.00 C ATOM 1121 C ASN A 77 7.311 15.364 1.114 1.00 0.00 C ATOM 1122 O ASN A 77 6.307 14.725 0.806 1.00 0.00 O ATOM 1123 CB ASN A 77 7.352 15.588 3.579 1.00 0.00 C ATOM 1124 CG ASN A 77 6.814 16.418 4.746 1.00 0.00 C ATOM 1125 OD1 ASN A 77 5.621 16.616 4.903 1.00 0.00 O ATOM 1126 ND2 ASN A 77 7.759 16.891 5.554 1.00 0.00 N ATOM 0 H ASN A 77 5.450 17.083 3.024 1.00 0.00 H new ATOM 0 HA ASN A 77 8.104 17.069 2.208 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.782 14.663 3.492 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.387 15.307 3.774 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.502 17.457 6.363 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.740 16.688 5.365 1.00 0.00 H new ATOM 1133 N PRO A 78 8.516 15.253 0.492 1.00 0.00 N ATOM 1134 CA PRO A 78 8.703 14.336 -0.619 1.00 0.00 C ATOM 1135 C PRO A 78 8.783 12.889 -0.129 1.00 0.00 C ATOM 1136 O PRO A 78 9.554 12.579 0.779 1.00 0.00 O ATOM 1137 CB PRO A 78 9.977 14.803 -1.304 1.00 0.00 C ATOM 1138 CG PRO A 78 10.704 15.667 -0.287 1.00 0.00 C ATOM 1139 CD PRO A 78 9.727 15.995 0.830 1.00 0.00 C ATOM 0 HA PRO A 78 7.865 14.344 -1.317 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.591 13.955 -1.606 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.750 15.370 -2.207 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.573 15.141 0.108 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.070 16.581 -0.755 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.119 15.692 1.801 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.533 17.066 0.885 1.00 0.00 H new ATOM 1147 N SER A 79 7.977 12.041 -0.751 1.00 0.00 N ATOM 1148 CA SER A 79 7.947 10.634 -0.389 1.00 0.00 C ATOM 1149 C SER A 79 8.749 9.816 -1.403 1.00 0.00 C ATOM 1150 O SER A 79 8.979 10.265 -2.525 1.00 0.00 O ATOM 1151 CB SER A 79 6.510 10.117 -0.307 1.00 0.00 C ATOM 1152 OG SER A 79 5.876 10.493 0.913 1.00 0.00 O ATOM 0 H SER A 79 7.340 12.301 -1.504 1.00 0.00 H new ATOM 0 HA SER A 79 8.400 10.524 0.596 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.936 10.506 -1.148 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.510 9.031 -0.396 1.00 0.00 H new ATOM 0 HG SER A 79 6.203 9.923 1.640 1.00 0.00 H new ATOM 1158 N THR A 80 9.152 8.630 -0.973 1.00 0.00 N ATOM 1159 CA THR A 80 9.923 7.745 -1.829 1.00 0.00 C ATOM 1160 C THR A 80 9.132 6.469 -2.127 1.00 0.00 C ATOM 1161 O THR A 80 8.807 5.710 -1.216 1.00 0.00 O ATOM 1162 CB THR A 80 11.268 7.482 -1.149 1.00 0.00 C ATOM 1163 OG1 THR A 80 11.878 8.768 -1.079 1.00 0.00 O ATOM 1164 CG2 THR A 80 12.218 6.666 -2.028 1.00 0.00 C ATOM 0 H THR A 80 8.959 8.261 -0.042 1.00 0.00 H new ATOM 0 HA THR A 80 10.118 8.203 -2.799 1.00 0.00 H new ATOM 0 HB THR A 80 11.103 6.957 -0.208 1.00 0.00 H new ATOM 0 HG1 THR A 80 12.755 8.691 -0.649 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.158 6.507 -1.499 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.764 5.702 -2.258 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.410 7.206 -2.955 1.00 0.00 H new ATOM 1172 N VAL A 81 8.847 6.273 -3.406 1.00 0.00 N ATOM 1173 CA VAL A 81 8.101 5.102 -3.835 1.00 0.00 C ATOM 1174 C VAL A 81 9.075 4.049 -4.366 1.00 0.00 C ATOM 1175 O VAL A 81 9.374 4.021 -5.559 1.00 0.00 O ATOM 1176 CB VAL A 81 7.039 5.505 -4.859 1.00 0.00 C ATOM 1177 CG1 VAL A 81 6.518 4.283 -5.619 1.00 0.00 C ATOM 1178 CG2 VAL A 81 5.891 6.264 -4.190 1.00 0.00 C ATOM 0 H VAL A 81 9.119 6.905 -4.159 1.00 0.00 H new ATOM 0 HA VAL A 81 7.569 4.658 -2.993 1.00 0.00 H new ATOM 0 HB VAL A 81 7.508 6.174 -5.581 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.764 4.598 -6.341 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.343 3.801 -6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.075 3.579 -4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.150 6.539 -4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.426 5.629 -3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.278 7.166 -3.716 1.00 0.00 H new ATOM 1188 N GLY A 82 9.543 3.208 -3.455 1.00 0.00 N ATOM 1189 CA GLY A 82 10.477 2.156 -3.818 1.00 0.00 C ATOM 1190 C GLY A 82 11.922 2.650 -3.726 1.00 0.00 C ATOM 1191 O GLY A 82 12.515 2.650 -2.648 1.00 0.00 O ATOM 0 H GLY A 82 9.293 3.234 -2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.339 1.299 -3.159 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.270 1.815 -4.832 1.00 0.00 H new ATOM 1195 N VAL A 83 12.447 3.060 -4.872 1.00 0.00 N ATOM 1196 CA VAL A 83 13.812 3.556 -4.934 1.00 0.00 C ATOM 1197 C VAL A 83 13.830 4.893 -5.676 1.00 0.00 C ATOM 1198 O VAL A 83 14.883 5.344 -6.125 1.00 0.00 O ATOM 1199 CB VAL A 83 14.721 2.505 -5.574 1.00 0.00 C ATOM 1200 CG1 VAL A 83 14.380 2.311 -7.052 1.00 0.00 C ATOM 1201 CG2 VAL A 83 16.195 2.874 -5.395 1.00 0.00 C ATOM 0 H VAL A 83 11.952 3.059 -5.764 1.00 0.00 H new ATOM 0 HA VAL A 83 14.200 3.735 -3.931 1.00 0.00 H new ATOM 0 HB VAL A 83 14.548 1.557 -5.064 1.00 0.00 H new ATOM 0 HG11 VAL A 83 15.041 1.559 -7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.345 1.982 -7.146 1.00 0.00 H new ATOM 0 HG13 VAL A 83 14.510 3.254 -7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 83 16.820 2.111 -5.859 1.00 0.00 H new ATOM 0 HG22 VAL A 83 16.389 3.837 -5.866 1.00 0.00 H new ATOM 0 HG23 VAL A 83 16.428 2.937 -4.332 1.00 0.00 H new ATOM 1211 N GLN A 84 12.652 5.491 -5.782 1.00 0.00 N ATOM 1212 CA GLN A 84 12.520 6.768 -6.462 1.00 0.00 C ATOM 1213 C GLN A 84 11.852 7.793 -5.543 1.00 0.00 C ATOM 1214 O GLN A 84 10.926 7.459 -4.805 1.00 0.00 O ATOM 1215 CB GLN A 84 11.741 6.615 -7.770 1.00 0.00 C ATOM 1216 CG GLN A 84 11.402 7.981 -8.370 1.00 0.00 C ATOM 1217 CD GLN A 84 11.196 7.880 -9.882 1.00 0.00 C ATOM 1218 OE1 GLN A 84 11.385 6.841 -10.493 1.00 0.00 O ATOM 1219 NE2 GLN A 84 10.798 9.015 -10.451 1.00 0.00 N ATOM 0 H GLN A 84 11.781 5.115 -5.408 1.00 0.00 H new ATOM 0 HA GLN A 84 13.518 7.129 -6.712 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.330 6.037 -8.482 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.823 6.056 -7.587 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.499 8.374 -7.902 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.205 8.686 -8.155 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.658 9.849 -9.881 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.632 9.051 -11.457 1.00 0.00 H new ATOM 1228 N GLU A 85 12.348 9.019 -5.617 1.00 0.00 N ATOM 1229 CA GLU A 85 11.810 10.094 -4.800 1.00 0.00 C ATOM 1230 C GLU A 85 10.652 10.783 -5.525 1.00 0.00 C ATOM 1231 O GLU A 85 10.691 10.956 -6.742 1.00 0.00 O ATOM 1232 CB GLU A 85 12.902 11.101 -4.432 1.00 0.00 C ATOM 1233 CG GLU A 85 12.300 12.350 -3.786 1.00 0.00 C ATOM 1234 CD GLU A 85 13.360 13.439 -3.605 1.00 0.00 C ATOM 1235 OE1 GLU A 85 14.504 13.066 -3.268 1.00 0.00 O ATOM 1236 OE2 GLU A 85 13.002 14.619 -3.808 1.00 0.00 O ATOM 0 H GLU A 85 13.116 9.292 -6.230 1.00 0.00 H new ATOM 0 HA GLU A 85 11.429 9.665 -3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.612 10.639 -3.746 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.459 11.382 -5.326 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.487 12.728 -4.406 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.870 12.092 -2.818 1.00 0.00 H new ATOM 1243 N LEU A 86 9.647 11.156 -4.746 1.00 0.00 N ATOM 1244 CA LEU A 86 8.480 11.822 -5.298 1.00 0.00 C ATOM 1245 C LEU A 86 8.543 13.314 -4.964 1.00 0.00 C ATOM 1246 O LEU A 86 9.549 13.795 -4.445 1.00 0.00 O ATOM 1247 CB LEU A 86 7.197 11.138 -4.819 1.00 0.00 C ATOM 1248 CG LEU A 86 6.827 9.834 -5.528 1.00 0.00 C ATOM 1249 CD1 LEU A 86 5.376 9.446 -5.240 1.00 0.00 C ATOM 1250 CD2 LEU A 86 7.109 9.927 -7.029 1.00 0.00 C ATOM 0 H LEU A 86 9.617 11.009 -3.737 1.00 0.00 H new ATOM 0 HA LEU A 86 8.472 11.739 -6.385 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.294 10.934 -3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.370 11.839 -4.935 1.00 0.00 H new ATOM 0 HG LEU A 86 7.457 9.038 -5.131 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.139 8.516 -5.756 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.242 9.310 -4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.712 10.235 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.837 8.987 -7.509 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.522 10.738 -7.460 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.169 10.123 -7.189 1.00 0.00 H new ATOM 1262 N LYS A 87 7.455 14.004 -5.275 1.00 0.00 N ATOM 1263 CA LYS A 87 7.375 15.431 -5.015 1.00 0.00 C ATOM 1264 C LYS A 87 5.948 15.788 -4.592 1.00 0.00 C ATOM 1265 O LYS A 87 5.043 14.961 -4.690 1.00 0.00 O ATOM 1266 CB LYS A 87 7.875 16.225 -6.223 1.00 0.00 C ATOM 1267 CG LYS A 87 9.297 16.741 -5.989 1.00 0.00 C ATOM 1268 CD LYS A 87 9.955 17.152 -7.307 1.00 0.00 C ATOM 1269 CE LYS A 87 9.620 18.603 -7.658 1.00 0.00 C ATOM 1270 NZ LYS A 87 10.833 19.448 -7.584 1.00 0.00 N ATOM 0 H LYS A 87 6.622 13.601 -5.704 1.00 0.00 H new ATOM 0 HA LYS A 87 8.031 15.705 -4.189 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.855 15.594 -7.111 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.206 17.064 -6.413 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.271 17.593 -5.310 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.894 15.967 -5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.036 17.033 -7.231 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.617 16.493 -8.107 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.196 18.652 -8.661 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.862 18.983 -6.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.588 20.429 -7.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.221 19.415 -6.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.544 19.094 -8.255 1.00 0.00 H new ATOM 1284 N PRO A 88 5.788 17.053 -4.120 1.00 0.00 N ATOM 1285 CA PRO A 88 4.487 17.530 -3.683 1.00 0.00 C ATOM 1286 C PRO A 88 3.580 17.825 -4.879 1.00 0.00 C ATOM 1287 O PRO A 88 3.666 18.895 -5.479 1.00 0.00 O ATOM 1288 CB PRO A 88 4.782 18.762 -2.843 1.00 0.00 C ATOM 1289 CG PRO A 88 6.188 19.198 -3.222 1.00 0.00 C ATOM 1290 CD PRO A 88 6.838 18.060 -3.991 1.00 0.00 C ATOM 0 HA PRO A 88 3.941 16.788 -3.100 1.00 0.00 H new ATOM 0 HB2 PRO A 88 4.060 19.554 -3.044 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.717 18.534 -1.779 1.00 0.00 H new ATOM 0 HG2 PRO A 88 6.156 20.101 -3.831 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.767 19.436 -2.330 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.190 18.392 -4.968 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.703 17.665 -3.458 1.00 0.00 H new ATOM 1298 N GLY A 89 2.732 16.856 -5.191 1.00 0.00 N ATOM 1299 CA GLY A 89 1.810 16.998 -6.305 1.00 0.00 C ATOM 1300 C GLY A 89 2.124 15.987 -7.409 1.00 0.00 C ATOM 1301 O GLY A 89 1.471 15.977 -8.451 1.00 0.00 O ATOM 0 H GLY A 89 2.664 15.969 -4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.787 16.855 -5.956 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.871 18.010 -6.706 1.00 0.00 H new ATOM 1305 N LEU A 90 3.125 15.159 -7.143 1.00 0.00 N ATOM 1306 CA LEU A 90 3.533 14.146 -8.101 1.00 0.00 C ATOM 1307 C LEU A 90 2.690 12.886 -7.894 1.00 0.00 C ATOM 1308 O LEU A 90 1.802 12.862 -7.044 1.00 0.00 O ATOM 1309 CB LEU A 90 5.040 13.900 -8.010 1.00 0.00 C ATOM 1310 CG LEU A 90 5.754 13.610 -9.332 1.00 0.00 C ATOM 1311 CD1 LEU A 90 5.248 14.534 -10.441 1.00 0.00 C ATOM 1312 CD2 LEU A 90 7.272 13.692 -9.165 1.00 0.00 C ATOM 0 H LEU A 90 3.665 15.170 -6.278 1.00 0.00 H new ATOM 0 HA LEU A 90 3.350 14.488 -9.120 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.504 14.775 -7.554 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.211 13.061 -7.336 1.00 0.00 H new ATOM 0 HG LEU A 90 5.519 12.589 -9.631 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.771 14.308 -11.370 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.178 14.382 -10.581 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.434 15.571 -10.163 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.755 13.482 -10.119 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.548 14.692 -8.831 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.597 12.960 -8.425 1.00 0.00 H new ATOM 1324 N SER A 91 2.999 11.870 -8.686 1.00 0.00 N ATOM 1325 CA SER A 91 2.281 10.609 -8.601 1.00 0.00 C ATOM 1326 C SER A 91 3.132 9.482 -9.188 1.00 0.00 C ATOM 1327 O SER A 91 3.686 9.620 -10.278 1.00 0.00 O ATOM 1328 CB SER A 91 0.936 10.692 -9.325 1.00 0.00 C ATOM 1329 OG SER A 91 0.675 12.002 -9.819 1.00 0.00 O ATOM 0 H SER A 91 3.737 11.894 -9.390 1.00 0.00 H new ATOM 0 HA SER A 91 2.085 10.397 -7.550 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.926 9.984 -10.153 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.139 10.396 -8.643 1.00 0.00 H new ATOM 0 HG SER A 91 -0.192 12.013 -10.276 1.00 0.00 H new ATOM 1335 N GLY A 92 3.209 8.391 -8.441 1.00 0.00 N ATOM 1336 CA GLY A 92 3.983 7.240 -8.874 1.00 0.00 C ATOM 1337 C GLY A 92 3.153 5.958 -8.790 1.00 0.00 C ATOM 1338 O GLY A 92 1.938 6.012 -8.608 1.00 0.00 O ATOM 0 H GLY A 92 2.748 8.279 -7.538 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.323 7.391 -9.899 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.874 7.142 -8.253 1.00 0.00 H new ATOM 1342 N SER A 93 3.842 4.834 -8.927 1.00 0.00 N ATOM 1343 CA SER A 93 3.183 3.540 -8.869 1.00 0.00 C ATOM 1344 C SER A 93 4.000 2.576 -8.006 1.00 0.00 C ATOM 1345 O SER A 93 5.229 2.616 -8.017 1.00 0.00 O ATOM 1346 CB SER A 93 2.984 2.960 -10.270 1.00 0.00 C ATOM 1347 OG SER A 93 1.605 2.815 -10.597 1.00 0.00 O ATOM 0 H SER A 93 4.850 4.793 -9.078 1.00 0.00 H new ATOM 0 HA SER A 93 2.200 3.676 -8.419 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.464 3.609 -11.003 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.476 1.989 -10.334 1.00 0.00 H new ATOM 0 HG SER A 93 1.520 2.443 -11.500 1.00 0.00 H new ATOM 1353 N LEU A 94 3.283 1.731 -7.279 1.00 0.00 N ATOM 1354 CA LEU A 94 3.926 0.758 -6.413 1.00 0.00 C ATOM 1355 C LEU A 94 3.588 -0.653 -6.899 1.00 0.00 C ATOM 1356 O LEU A 94 2.437 -0.944 -7.218 1.00 0.00 O ATOM 1357 CB LEU A 94 3.551 1.011 -4.951 1.00 0.00 C ATOM 1358 CG LEU A 94 4.695 1.435 -4.029 1.00 0.00 C ATOM 1359 CD1 LEU A 94 4.583 2.916 -3.661 1.00 0.00 C ATOM 1360 CD2 LEU A 94 4.761 0.541 -2.789 1.00 0.00 C ATOM 0 H LEU A 94 2.263 1.700 -7.272 1.00 0.00 H new ATOM 0 HA LEU A 94 5.010 0.862 -6.463 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.782 1.783 -4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.104 0.102 -4.549 1.00 0.00 H new ATOM 0 HG LEU A 94 5.633 1.307 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.409 3.191 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.623 3.520 -4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.638 3.093 -3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.583 0.864 -2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.823 0.614 -2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.924 -0.493 -3.094 1.00 0.00 H new ATOM 1372 N SER A 95 4.613 -1.492 -6.939 1.00 0.00 N ATOM 1373 CA SER A 95 4.440 -2.865 -7.381 1.00 0.00 C ATOM 1374 C SER A 95 4.460 -3.809 -6.177 1.00 0.00 C ATOM 1375 O SER A 95 4.940 -3.443 -5.105 1.00 0.00 O ATOM 1376 CB SER A 95 5.524 -3.262 -8.385 1.00 0.00 C ATOM 1377 OG SER A 95 5.637 -2.321 -9.448 1.00 0.00 O ATOM 0 H SER A 95 5.567 -1.247 -6.672 1.00 0.00 H new ATOM 0 HA SER A 95 3.474 -2.944 -7.881 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.482 -3.345 -7.871 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.296 -4.246 -8.795 1.00 0.00 H new ATOM 0 HG SER A 95 6.340 -2.609 -10.067 1.00 0.00 H new ATOM 1383 N LEU A 96 3.933 -5.005 -6.394 1.00 0.00 N ATOM 1384 CA LEU A 96 3.885 -6.004 -5.339 1.00 0.00 C ATOM 1385 C LEU A 96 5.294 -6.225 -4.788 1.00 0.00 C ATOM 1386 O LEU A 96 6.137 -6.827 -5.451 1.00 0.00 O ATOM 1387 CB LEU A 96 3.214 -7.283 -5.844 1.00 0.00 C ATOM 1388 CG LEU A 96 1.793 -7.540 -5.337 1.00 0.00 C ATOM 1389 CD1 LEU A 96 1.199 -8.793 -5.983 1.00 0.00 C ATOM 1390 CD2 LEU A 96 1.761 -7.613 -3.809 1.00 0.00 C ATOM 0 H LEU A 96 3.536 -5.305 -7.284 1.00 0.00 H new ATOM 0 HA LEU A 96 3.270 -5.654 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.190 -7.251 -6.933 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.838 -8.132 -5.564 1.00 0.00 H new ATOM 0 HG LEU A 96 1.167 -6.698 -5.632 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.189 -8.953 -5.606 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.166 -8.664 -7.065 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.818 -9.656 -5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.740 -7.796 -3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.405 -8.424 -3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.115 -6.670 -3.392 1.00 0.00 H new ATOM 1402 N GLY A 97 5.507 -5.726 -3.579 1.00 0.00 N ATOM 1403 CA GLY A 97 6.800 -5.862 -2.930 1.00 0.00 C ATOM 1404 C GLY A 97 7.471 -4.498 -2.754 1.00 0.00 C ATOM 1405 O GLY A 97 8.191 -4.278 -1.781 1.00 0.00 O ATOM 0 H GLY A 97 4.806 -5.227 -3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.675 -6.338 -1.957 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.442 -6.513 -3.523 1.00 0.00 H new ATOM 1409 N ASP A 98 7.212 -3.619 -3.710 1.00 0.00 N ATOM 1410 CA ASP A 98 7.781 -2.283 -3.673 1.00 0.00 C ATOM 1411 C ASP A 98 7.461 -1.634 -2.325 1.00 0.00 C ATOM 1412 O ASP A 98 6.418 -1.908 -1.732 1.00 0.00 O ATOM 1413 CB ASP A 98 7.190 -1.401 -4.774 1.00 0.00 C ATOM 1414 CG ASP A 98 7.825 -1.577 -6.155 1.00 0.00 C ATOM 1415 OD1 ASP A 98 8.147 -2.739 -6.487 1.00 0.00 O ATOM 1416 OD2 ASP A 98 7.974 -0.547 -6.847 1.00 0.00 O ATOM 0 H ASP A 98 6.615 -3.806 -4.516 1.00 0.00 H new ATOM 0 HA ASP A 98 8.857 -2.371 -3.821 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.123 -1.610 -4.852 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.290 -0.357 -4.475 1.00 0.00 H new ATOM 1421 N VAL A 99 8.377 -0.786 -1.879 1.00 0.00 N ATOM 1422 CA VAL A 99 8.205 -0.097 -0.612 1.00 0.00 C ATOM 1423 C VAL A 99 7.638 1.301 -0.870 1.00 0.00 C ATOM 1424 O VAL A 99 7.674 1.791 -1.998 1.00 0.00 O ATOM 1425 CB VAL A 99 9.529 -0.072 0.154 1.00 0.00 C ATOM 1426 CG1 VAL A 99 9.357 0.583 1.526 1.00 0.00 C ATOM 1427 CG2 VAL A 99 10.110 -1.481 0.289 1.00 0.00 C ATOM 0 H VAL A 99 9.240 -0.561 -2.373 1.00 0.00 H new ATOM 0 HA VAL A 99 7.490 -0.628 0.017 1.00 0.00 H new ATOM 0 HB VAL A 99 10.236 0.529 -0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 99 10.313 0.588 2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 99 9.008 1.608 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.627 0.021 2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 99 11.051 -1.436 0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.406 -2.115 0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 99 10.288 -1.898 -0.702 1.00 0.00 H new ATOM 1437 N LEU A 100 7.129 1.904 0.194 1.00 0.00 N ATOM 1438 CA LEU A 100 6.555 3.235 0.097 1.00 0.00 C ATOM 1439 C LEU A 100 6.879 4.020 1.370 1.00 0.00 C ATOM 1440 O LEU A 100 6.071 4.070 2.296 1.00 0.00 O ATOM 1441 CB LEU A 100 5.058 3.152 -0.209 1.00 0.00 C ATOM 1442 CG LEU A 100 4.276 4.463 -0.094 1.00 0.00 C ATOM 1443 CD1 LEU A 100 4.837 5.521 -1.046 1.00 0.00 C ATOM 1444 CD2 LEU A 100 2.780 4.230 -0.312 1.00 0.00 C ATOM 0 H LEU A 100 7.102 1.495 1.128 1.00 0.00 H new ATOM 0 HA LEU A 100 6.998 3.781 -0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.935 2.766 -1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.609 2.424 0.466 1.00 0.00 H new ATOM 0 HG LEU A 100 4.397 4.846 0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.264 6.442 -0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.881 5.714 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.766 5.161 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.248 5.177 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.618 3.813 -1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.407 3.534 0.439 1.00 0.00 H new ATOM 1456 N TYR A 101 8.065 4.612 1.375 1.00 0.00 N ATOM 1457 CA TYR A 101 8.506 5.392 2.519 1.00 0.00 C ATOM 1458 C TYR A 101 7.558 6.563 2.783 1.00 0.00 C ATOM 1459 O TYR A 101 7.636 7.593 2.115 1.00 0.00 O ATOM 1460 CB TYR A 101 9.885 5.941 2.148 1.00 0.00 C ATOM 1461 CG TYR A 101 10.953 4.862 1.956 1.00 0.00 C ATOM 1462 CD1 TYR A 101 11.574 4.302 3.054 1.00 0.00 C ATOM 1463 CD2 TYR A 101 11.296 4.450 0.685 1.00 0.00 C ATOM 1464 CE1 TYR A 101 12.579 3.287 2.873 1.00 0.00 C ATOM 1465 CE2 TYR A 101 12.301 3.435 0.503 1.00 0.00 C ATOM 1466 CZ TYR A 101 12.893 2.904 1.607 1.00 0.00 C ATOM 1467 OH TYR A 101 13.843 1.945 1.436 1.00 0.00 O ATOM 0 H TYR A 101 8.733 4.567 0.606 1.00 0.00 H new ATOM 0 HA TYR A 101 8.529 4.776 3.418 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.799 6.520 1.229 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.213 6.628 2.928 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.306 4.625 4.049 1.00 0.00 H new ATOM 0 HD2 TYR A 101 10.810 4.889 -0.174 1.00 0.00 H new ATOM 0 HE1 TYR A 101 13.072 2.840 3.724 1.00 0.00 H new ATOM 0 HE2 TYR A 101 12.578 3.103 -0.487 1.00 0.00 H new ATOM 0 HH TYR A 101 13.963 1.771 0.479 1.00 0.00 H new ATOM 1477 N LEU A 102 6.684 6.367 3.760 1.00 0.00 N ATOM 1478 CA LEU A 102 5.722 7.395 4.120 1.00 0.00 C ATOM 1479 C LEU A 102 6.390 8.768 4.026 1.00 0.00 C ATOM 1480 O LEU A 102 5.926 9.638 3.291 1.00 0.00 O ATOM 1481 CB LEU A 102 5.113 7.100 5.493 1.00 0.00 C ATOM 1482 CG LEU A 102 3.588 6.977 5.537 1.00 0.00 C ATOM 1483 CD1 LEU A 102 3.163 5.643 6.153 1.00 0.00 C ATOM 1484 CD2 LEU A 102 2.963 8.170 6.264 1.00 0.00 C ATOM 0 H LEU A 102 6.622 5.512 4.313 1.00 0.00 H new ATOM 0 HA LEU A 102 4.887 7.398 3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.544 6.172 5.868 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.414 7.891 6.180 1.00 0.00 H new ATOM 0 HG LEU A 102 3.214 6.992 4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 102 2.075 5.581 6.172 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.562 4.823 5.556 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.548 5.573 7.170 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.879 8.058 6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.340 8.212 7.286 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.224 9.091 5.743 1.00 0.00 H new ATOM 1496 N VAL A 103 7.468 8.920 4.781 1.00 0.00 N ATOM 1497 CA VAL A 103 8.203 10.172 4.792 1.00 0.00 C ATOM 1498 C VAL A 103 9.596 9.936 5.381 1.00 0.00 C ATOM 1499 O VAL A 103 9.884 8.852 5.885 1.00 0.00 O ATOM 1500 CB VAL A 103 7.409 11.240 5.547 1.00 0.00 C ATOM 1501 CG1 VAL A 103 7.291 10.888 7.032 1.00 0.00 C ATOM 1502 CG2 VAL A 103 8.033 12.624 5.359 1.00 0.00 C ATOM 0 H VAL A 103 7.850 8.196 5.390 1.00 0.00 H new ATOM 0 HA VAL A 103 8.337 10.544 3.776 1.00 0.00 H new ATOM 0 HB VAL A 103 6.403 11.268 5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.722 11.663 7.546 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.780 9.931 7.140 1.00 0.00 H new ATOM 0 HG13 VAL A 103 8.287 10.818 7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.449 13.364 5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.055 12.617 5.737 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.040 12.879 4.299 1.00 0.00 H new ATOM 1512 N ASN A 104 10.422 10.968 5.297 1.00 0.00 N ATOM 1513 CA ASN A 104 11.777 10.886 5.815 1.00 0.00 C ATOM 1514 C ASN A 104 12.363 9.512 5.484 1.00 0.00 C ATOM 1515 O ASN A 104 12.965 8.868 6.341 1.00 0.00 O ATOM 1516 CB ASN A 104 11.797 11.055 7.335 1.00 0.00 C ATOM 1517 CG ASN A 104 10.697 12.015 7.794 1.00 0.00 C ATOM 1518 OD1 ASN A 104 9.848 11.685 8.605 1.00 0.00 O ATOM 1519 ND2 ASN A 104 10.760 13.219 7.232 1.00 0.00 N ATOM 0 H ASN A 104 10.179 11.866 4.878 1.00 0.00 H new ATOM 0 HA ASN A 104 12.362 11.683 5.356 1.00 0.00 H new ATOM 0 HB2 ASN A 104 11.662 10.085 7.814 1.00 0.00 H new ATOM 0 HB3 ASN A 104 12.770 11.433 7.650 1.00 0.00 H new ATOM 0 HD21 ASN A 104 10.071 13.931 7.473 1.00 0.00 H new ATOM 0 HD22 ASN A 104 11.497 13.430 6.560 1.00 0.00 H new ATOM 1526 N GLY A 105 12.165 9.104 4.239 1.00 0.00 N ATOM 1527 CA GLY A 105 12.666 7.818 3.785 1.00 0.00 C ATOM 1528 C GLY A 105 12.542 6.762 4.885 1.00 0.00 C ATOM 1529 O GLY A 105 13.344 5.831 4.950 1.00 0.00 O ATOM 0 H GLY A 105 11.665 9.641 3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 105 12.110 7.498 2.904 1.00 0.00 H new ATOM 0 HA3 GLY A 105 13.709 7.915 3.485 1.00 0.00 H new ATOM 1533 N LEU A 106 11.531 6.941 5.722 1.00 0.00 N ATOM 1534 CA LEU A 106 11.292 6.015 6.816 1.00 0.00 C ATOM 1535 C LEU A 106 9.869 5.464 6.710 1.00 0.00 C ATOM 1536 O LEU A 106 9.181 5.699 5.718 1.00 0.00 O ATOM 1537 CB LEU A 106 11.595 6.682 8.159 1.00 0.00 C ATOM 1538 CG LEU A 106 13.063 6.683 8.592 1.00 0.00 C ATOM 1539 CD1 LEU A 106 13.207 7.154 10.040 1.00 0.00 C ATOM 1540 CD2 LEU A 106 13.701 5.310 8.369 1.00 0.00 C ATOM 0 H LEU A 106 10.868 7.714 5.665 1.00 0.00 H new ATOM 0 HA LEU A 106 11.970 5.164 6.750 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.249 7.715 8.115 1.00 0.00 H new ATOM 0 HB3 LEU A 106 11.010 6.182 8.931 1.00 0.00 H new ATOM 0 HG LEU A 106 13.603 7.394 7.967 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.260 7.145 10.322 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.814 8.166 10.134 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.650 6.486 10.697 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.744 5.338 8.685 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.165 4.561 8.952 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.649 5.052 7.311 1.00 0.00 H new ATOM 1552 N TYR A 107 9.470 4.742 7.747 1.00 0.00 N ATOM 1553 CA TYR A 107 8.140 4.156 7.783 1.00 0.00 C ATOM 1554 C TYR A 107 7.759 3.577 6.419 1.00 0.00 C ATOM 1555 O TYR A 107 6.777 4.002 5.813 1.00 0.00 O ATOM 1556 CB TYR A 107 7.184 5.300 8.123 1.00 0.00 C ATOM 1557 CG TYR A 107 7.757 6.317 9.113 1.00 0.00 C ATOM 1558 CD1 TYR A 107 8.212 5.898 10.347 1.00 0.00 C ATOM 1559 CD2 TYR A 107 7.819 7.653 8.772 1.00 0.00 C ATOM 1560 CE1 TYR A 107 8.751 6.854 11.278 1.00 0.00 C ATOM 1561 CE2 TYR A 107 8.359 8.609 9.703 1.00 0.00 C ATOM 1562 CZ TYR A 107 8.798 8.163 10.911 1.00 0.00 C ATOM 1563 OH TYR A 107 9.307 9.067 11.790 1.00 0.00 O ATOM 0 H TYR A 107 10.044 4.549 8.568 1.00 0.00 H new ATOM 0 HA TYR A 107 8.097 3.346 8.511 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.911 5.818 7.203 1.00 0.00 H new ATOM 0 HB3 TYR A 107 6.267 4.882 8.537 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.164 4.853 10.614 1.00 0.00 H new ATOM 0 HD2 TYR A 107 7.462 7.981 7.807 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.110 6.539 12.247 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.414 9.657 9.448 1.00 0.00 H new ATOM 0 HH TYR A 107 9.278 9.962 11.392 1.00 0.00 H new ATOM 1573 N PRO A 108 8.577 2.590 5.965 1.00 0.00 N ATOM 1574 CA PRO A 108 8.335 1.948 4.684 1.00 0.00 C ATOM 1575 C PRO A 108 7.156 0.978 4.770 1.00 0.00 C ATOM 1576 O PRO A 108 7.004 0.266 5.762 1.00 0.00 O ATOM 1577 CB PRO A 108 9.645 1.261 4.335 1.00 0.00 C ATOM 1578 CG PRO A 108 10.419 1.151 5.639 1.00 0.00 C ATOM 1579 CD PRO A 108 9.749 2.061 6.656 1.00 0.00 C ATOM 0 HA PRO A 108 8.052 2.657 3.906 1.00 0.00 H new ATOM 0 HB2 PRO A 108 9.466 0.276 3.903 1.00 0.00 H new ATOM 0 HB3 PRO A 108 10.203 1.837 3.597 1.00 0.00 H new ATOM 0 HG2 PRO A 108 10.425 0.120 5.994 1.00 0.00 H new ATOM 0 HG3 PRO A 108 11.459 1.443 5.492 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.465 1.511 7.553 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.418 2.862 6.972 1.00 0.00 H new ATOM 1587 N LEU A 109 6.350 0.981 3.718 1.00 0.00 N ATOM 1588 CA LEU A 109 5.188 0.110 3.663 1.00 0.00 C ATOM 1589 C LEU A 109 5.339 -0.860 2.489 1.00 0.00 C ATOM 1590 O LEU A 109 5.362 -0.441 1.333 1.00 0.00 O ATOM 1591 CB LEU A 109 3.901 0.936 3.618 1.00 0.00 C ATOM 1592 CG LEU A 109 3.449 1.547 4.946 1.00 0.00 C ATOM 1593 CD1 LEU A 109 3.293 0.470 6.021 1.00 0.00 C ATOM 1594 CD2 LEU A 109 4.399 2.663 5.386 1.00 0.00 C ATOM 0 H LEU A 109 6.479 1.573 2.897 1.00 0.00 H new ATOM 0 HA LEU A 109 5.120 -0.493 4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 109 4.035 1.742 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.099 0.302 3.241 1.00 0.00 H new ATOM 0 HG LEU A 109 2.468 1.998 4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.971 0.932 6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.548 -0.259 5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.248 -0.032 6.175 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.056 3.081 6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.403 2.258 5.511 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.416 3.446 4.628 1.00 0.00 H new ATOM 1606 N THR A 110 5.436 -2.137 2.827 1.00 0.00 N ATOM 1607 CA THR A 110 5.584 -3.169 1.815 1.00 0.00 C ATOM 1608 C THR A 110 4.219 -3.544 1.233 1.00 0.00 C ATOM 1609 O THR A 110 3.277 -3.815 1.976 1.00 0.00 O ATOM 1610 CB THR A 110 6.319 -4.352 2.449 1.00 0.00 C ATOM 1611 OG1 THR A 110 7.584 -3.812 2.826 1.00 0.00 O ATOM 1612 CG2 THR A 110 6.666 -5.440 1.431 1.00 0.00 C ATOM 0 H THR A 110 5.415 -2.481 3.787 1.00 0.00 H new ATOM 0 HA THR A 110 6.176 -2.814 0.972 1.00 0.00 H new ATOM 0 HB THR A 110 5.704 -4.780 3.241 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.126 -4.511 3.247 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.186 -6.256 1.933 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.750 -5.819 0.977 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.309 -5.022 0.657 1.00 0.00 H new ATOM 1620 N LEU A 111 4.157 -3.548 -0.090 1.00 0.00 N ATOM 1621 CA LEU A 111 2.924 -3.886 -0.781 1.00 0.00 C ATOM 1622 C LEU A 111 2.853 -5.401 -0.978 1.00 0.00 C ATOM 1623 O LEU A 111 3.806 -6.014 -1.456 1.00 0.00 O ATOM 1624 CB LEU A 111 2.804 -3.090 -2.082 1.00 0.00 C ATOM 1625 CG LEU A 111 1.730 -3.567 -3.063 1.00 0.00 C ATOM 1626 CD1 LEU A 111 0.349 -3.567 -2.406 1.00 0.00 C ATOM 1627 CD2 LEU A 111 1.754 -2.737 -4.348 1.00 0.00 C ATOM 0 H LEU A 111 4.941 -3.323 -0.702 1.00 0.00 H new ATOM 0 HA LEU A 111 2.060 -3.602 -0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.602 -2.049 -1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.768 -3.114 -2.590 1.00 0.00 H new ATOM 0 HG LEU A 111 1.954 -4.597 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.396 -3.910 -3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.356 -4.234 -1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.101 -2.557 -2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.981 -3.096 -5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.568 -1.690 -4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.730 -2.832 -4.825 1.00 0.00 H new ATOM 1639 N ARG A 112 1.714 -5.962 -0.598 1.00 0.00 N ATOM 1640 CA ARG A 112 1.506 -7.395 -0.727 1.00 0.00 C ATOM 1641 C ARG A 112 0.152 -7.678 -1.382 1.00 0.00 C ATOM 1642 O ARG A 112 -0.594 -6.752 -1.698 1.00 0.00 O ATOM 1643 CB ARG A 112 1.559 -8.084 0.638 1.00 0.00 C ATOM 1644 CG ARG A 112 2.995 -8.155 1.161 1.00 0.00 C ATOM 1645 CD ARG A 112 3.810 -9.192 0.385 1.00 0.00 C ATOM 1646 NE ARG A 112 5.254 -8.895 0.509 1.00 0.00 N ATOM 1647 CZ ARG A 112 6.215 -9.544 -0.164 1.00 0.00 C ATOM 1648 NH1 ARG A 112 5.890 -10.529 -1.012 1.00 0.00 N ATOM 1649 NH2 ARG A 112 7.500 -9.207 0.012 1.00 0.00 N ATOM 0 H ARG A 112 0.926 -5.451 -0.201 1.00 0.00 H new ATOM 0 HA ARG A 112 2.306 -7.791 -1.353 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.936 -7.540 1.348 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.147 -9.090 0.558 1.00 0.00 H new ATOM 0 HG2 ARG A 112 3.467 -7.176 1.073 1.00 0.00 H new ATOM 0 HG3 ARG A 112 2.988 -8.411 2.220 1.00 0.00 H new ATOM 0 HD2 ARG A 112 3.601 -10.191 0.767 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.518 -9.185 -0.665 1.00 0.00 H new ATOM 0 HE ARG A 112 5.536 -8.150 1.146 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.912 -10.785 -1.145 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.621 -11.023 -1.524 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.747 -8.457 0.658 1.00 0.00 H new ATOM 0 HH22 ARG A 112 8.231 -9.701 -0.500 1.00 0.00 H new ATOM 1663 N TRP A 113 -0.123 -8.960 -1.566 1.00 0.00 N ATOM 1664 CA TRP A 113 -1.374 -9.377 -2.177 1.00 0.00 C ATOM 1665 C TRP A 113 -1.937 -10.539 -1.357 1.00 0.00 C ATOM 1666 O TRP A 113 -1.183 -11.360 -0.838 1.00 0.00 O ATOM 1667 CB TRP A 113 -1.173 -9.729 -3.652 1.00 0.00 C ATOM 1668 CG TRP A 113 -2.360 -10.456 -4.286 1.00 0.00 C ATOM 1669 CD1 TRP A 113 -2.729 -11.734 -4.121 1.00 0.00 C ATOM 1670 CD2 TRP A 113 -3.326 -9.893 -5.199 1.00 0.00 C ATOM 1671 NE1 TRP A 113 -3.856 -12.034 -4.858 1.00 0.00 N ATOM 1672 CE2 TRP A 113 -4.231 -10.879 -5.534 1.00 0.00 C ATOM 1673 CE3 TRP A 113 -3.430 -8.593 -5.725 1.00 0.00 C ATOM 1674 CZ2 TRP A 113 -5.306 -10.669 -6.407 1.00 0.00 C ATOM 1675 CZ3 TRP A 113 -4.510 -8.399 -6.595 1.00 0.00 C ATOM 1676 CH2 TRP A 113 -5.430 -9.381 -6.942 1.00 0.00 C ATOM 0 H TRP A 113 0.499 -9.725 -1.303 1.00 0.00 H new ATOM 0 HA TRP A 113 -2.098 -8.562 -2.168 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -0.981 -8.813 -4.211 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.285 -10.353 -3.748 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -2.209 -12.440 -3.490 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -4.327 -12.938 -4.899 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.732 -7.807 -5.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -6.001 -11.458 -6.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -4.637 -7.417 -7.027 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -6.237 -9.152 -7.622 1.00 0.00 H new ATOM 1687 N SER A 114 -3.259 -10.571 -1.265 1.00 0.00 N ATOM 1688 CA SER A 114 -3.932 -11.619 -0.517 1.00 0.00 C ATOM 1689 C SER A 114 -4.217 -12.813 -1.430 1.00 0.00 C ATOM 1690 O SER A 114 -4.665 -12.640 -2.562 1.00 0.00 O ATOM 1691 CB SER A 114 -5.231 -11.104 0.105 1.00 0.00 C ATOM 1692 OG SER A 114 -5.788 -12.036 1.027 1.00 0.00 O ATOM 0 H SER A 114 -3.882 -9.888 -1.696 1.00 0.00 H new ATOM 0 HA SER A 114 -3.275 -11.938 0.292 1.00 0.00 H new ATOM 0 HB2 SER A 114 -5.039 -10.160 0.615 1.00 0.00 H new ATOM 0 HB3 SER A 114 -5.954 -10.899 -0.684 1.00 0.00 H new ATOM 0 HG SER A 114 -6.615 -11.669 1.403 1.00 0.00 H new