USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 827 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 Single : A 5 THR OG1 : rot 180:sc= 0.173 USER MOD Single : A 7 LYS NZ :NH3+ 147:sc= -0.98 (180deg=-2) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 1:sc= -3.15! USER MOD Single : A 26 THR OG1 : rot -42:sc= -0.164 USER MOD Single : A 27 GLN : amide:sc= -2.68! X(o=-2.7!,f=-2.3) USER MOD Single : A 30 ASN : amide:sc= -0.81 K(o=-0.81,f=-0.17) USER MOD Single : A 31 LYS NZ :NH3+ -113:sc= 0.529 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.675 USER MOD Single : A 35 LYS NZ :NH3+ 176:sc= -2.2 (180deg=-2.29) USER MOD Single : A 37 SER OG : rot 38:sc= -0.306 USER MOD Single : A 38 SER OG : rot -24:sc= 0.785! USER MOD Single : A 39 ASN : amide:sc=-0.00643 X(o=-0.0064,f=0) USER MOD Single : A 42 ASN : amide:sc= -1.89! K(o=-1.9!,f=0.24) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 37:sc= 1.15 USER MOD Single : A 61 THR OG1 : rot 110:sc= -0.146 USER MOD Single : A 64 THR OG1 : rot -22:sc= 0.757 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 128:sc= -0.83 USER MOD Single : A 69 MET CE :methyl 162:sc= -3.08 (180deg=-4.76!) USER MOD Single : A 72 ASN : amide:sc= 0.0113 K(o=0.011,f=-0.58) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -117:sc= 0.347 (180deg=-0.318) USER MOD Single : A 83 ASN : amide:sc= -0.343 K(o=-0.34,f=-1.2) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 170:sc= 0.0414 USER MOD Single : A 96 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.2!) USER MOD Single : A 100 GLN : amide:sc= -3.35! C(o=-3.3!,f=-6.3!) USER MOD Single : A 101 THR OG1 : rot -170:sc= 0.0392 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -140:sc= -0.435 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N PHE A 2 11.865 -10.344 3.312 1.00 0.00 N ATOM 14 CA PHE A 2 10.615 -10.033 3.992 1.00 0.00 C ATOM 15 C PHE A 2 10.787 -10.527 5.457 1.00 0.00 C ATOM 16 O PHE A 2 10.191 -11.547 5.795 1.00 0.00 O ATOM 17 CB PHE A 2 9.458 -10.786 3.359 1.00 0.00 C ATOM 18 CG PHE A 2 9.035 -10.276 1.996 1.00 0.00 C ATOM 19 CD1 PHE A 2 9.620 -10.662 0.821 1.00 0.00 C ATOM 20 CD2 PHE A 2 8.011 -9.370 1.887 1.00 0.00 C ATOM 21 CE1 PHE A 2 9.171 -10.146 -0.387 1.00 0.00 C ATOM 22 CE2 PHE A 2 7.629 -8.908 0.631 1.00 0.00 C ATOM 23 CZ PHE A 2 8.128 -9.235 -0.436 1.00 0.00 C ATOM 0 HA PHE A 2 10.400 -8.966 3.932 1.00 0.00 H new ATOM 0 HB2 PHE A 2 9.733 -11.837 3.268 1.00 0.00 H new ATOM 0 HB3 PHE A 2 8.601 -10.738 4.031 1.00 0.00 H new ATOM 0 HD1 PHE A 2 10.435 -11.371 0.833 1.00 0.00 H new ATOM 0 HD2 PHE A 2 7.503 -9.017 2.772 1.00 0.00 H new ATOM 0 HE1 PHE A 2 9.643 -10.460 -1.306 1.00 0.00 H new ATOM 0 HE2 PHE A 2 6.818 -8.196 0.596 1.00 0.00 H new ATOM 0 HZ PHE A 2 7.773 -8.833 -1.373 1.00 0.00 H new ATOM 33 N ASP A 3 11.596 -9.750 6.206 1.00 0.00 N ATOM 34 CA ASP A 3 11.756 -10.207 7.548 1.00 0.00 C ATOM 35 C ASP A 3 11.979 -9.154 8.622 1.00 0.00 C ATOM 36 O ASP A 3 12.660 -9.495 9.591 1.00 0.00 O ATOM 37 CB ASP A 3 13.069 -11.048 7.575 1.00 0.00 C ATOM 38 CG ASP A 3 14.295 -10.175 7.348 1.00 0.00 C ATOM 39 OD1 ASP A 3 14.247 -9.114 6.747 1.00 0.00 O ATOM 40 OD2 ASP A 3 15.345 -10.628 7.820 1.00 0.00 O ATOM 0 H ASP A 3 12.088 -8.902 5.925 1.00 0.00 H new ATOM 0 HA ASP A 3 10.819 -10.713 7.780 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.156 -11.557 8.535 1.00 0.00 H new ATOM 0 HB3 ASP A 3 13.024 -11.820 6.807 1.00 0.00 H new ATOM 45 N GLY A 4 11.437 -7.928 8.468 1.00 0.00 N ATOM 46 CA GLY A 4 11.738 -7.026 9.584 1.00 0.00 C ATOM 47 C GLY A 4 10.885 -5.795 9.294 1.00 0.00 C ATOM 48 O GLY A 4 9.859 -6.059 8.649 1.00 0.00 O ATOM 0 H GLY A 4 10.868 -7.578 7.697 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.480 -7.475 10.543 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.799 -6.778 9.624 1.00 0.00 H new ATOM 52 N THR A 5 11.305 -4.605 9.734 1.00 0.00 N ATOM 53 CA THR A 5 10.483 -3.446 9.440 1.00 0.00 C ATOM 54 C THR A 5 10.986 -2.914 8.095 1.00 0.00 C ATOM 55 O THR A 5 11.863 -3.607 7.578 1.00 0.00 O ATOM 56 CB THR A 5 10.867 -2.388 10.487 1.00 0.00 C ATOM 57 OG1 THR A 5 12.171 -2.587 10.933 1.00 0.00 O ATOM 58 CG2 THR A 5 9.943 -2.499 11.701 1.00 0.00 C ATOM 0 H THR A 5 12.159 -4.430 10.264 1.00 0.00 H new ATOM 0 HA THR A 5 9.416 -3.667 9.435 1.00 0.00 H new ATOM 0 HB THR A 5 10.777 -1.408 10.018 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.397 -1.903 11.597 1.00 0.00 H new ATOM 0 HG21 THR A 5 10.220 -1.747 12.439 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.911 -2.338 11.389 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.038 -3.492 12.141 1.00 0.00 H new ATOM 66 N TRP A 6 10.469 -1.797 7.579 1.00 0.00 N ATOM 67 CA TRP A 6 10.793 -1.166 6.357 1.00 0.00 C ATOM 68 C TRP A 6 10.318 0.310 6.275 1.00 0.00 C ATOM 69 O TRP A 6 9.348 0.532 6.948 1.00 0.00 O ATOM 70 CB TRP A 6 9.931 -1.759 5.200 1.00 0.00 C ATOM 71 CG TRP A 6 10.075 -3.189 4.933 1.00 0.00 C ATOM 72 CD1 TRP A 6 9.861 -4.285 5.775 1.00 0.00 C ATOM 73 CD2 TRP A 6 10.483 -3.871 3.686 1.00 0.00 C ATOM 74 NE1 TRP A 6 10.092 -5.407 5.163 1.00 0.00 N ATOM 75 CE2 TRP A 6 10.491 -5.250 3.856 1.00 0.00 C ATOM 76 CE3 TRP A 6 10.846 -3.413 2.448 1.00 0.00 C ATOM 77 CZ2 TRP A 6 10.826 -6.150 2.896 1.00 0.00 C ATOM 78 CZ3 TRP A 6 11.202 -4.280 1.425 1.00 0.00 C ATOM 79 CH2 TRP A 6 11.188 -5.621 1.658 1.00 0.00 C ATOM 0 H TRP A 6 9.743 -1.283 8.079 1.00 0.00 H new ATOM 0 HA TRP A 6 11.874 -1.289 6.287 1.00 0.00 H new ATOM 0 HB2 TRP A 6 8.883 -1.559 5.422 1.00 0.00 H new ATOM 0 HB3 TRP A 6 10.172 -1.217 4.285 1.00 0.00 H new ATOM 0 HD1 TRP A 6 9.544 -4.208 6.804 1.00 0.00 H new ATOM 0 HE1 TRP A 6 9.987 -6.318 5.609 1.00 0.00 H new ATOM 0 HE3 TRP A 6 10.855 -2.349 2.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 10.813 -7.214 3.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 11.486 -3.896 0.457 1.00 0.00 H new ATOM 0 HH2 TRP A 6 11.465 -6.295 0.861 1.00 0.00 H new ATOM 90 N LYS A 7 11.023 1.078 5.476 1.00 0.00 N ATOM 91 CA LYS A 7 10.718 2.443 5.196 1.00 0.00 C ATOM 92 C LYS A 7 10.753 3.457 6.331 1.00 0.00 C ATOM 93 O LYS A 7 10.938 3.117 7.471 1.00 0.00 O ATOM 94 CB LYS A 7 9.218 2.511 4.718 1.00 0.00 C ATOM 95 CG LYS A 7 9.282 1.681 3.470 1.00 0.00 C ATOM 96 CD LYS A 7 7.956 1.558 2.729 1.00 0.00 C ATOM 97 CE LYS A 7 6.668 1.669 3.543 1.00 0.00 C ATOM 98 NZ LYS A 7 5.440 1.249 2.860 1.00 0.00 N ATOM 0 H LYS A 7 11.856 0.746 4.989 1.00 0.00 H new ATOM 0 HA LYS A 7 11.505 2.716 4.493 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.530 2.096 5.455 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.894 3.532 4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.022 2.115 2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.634 0.682 3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.931 2.328 1.958 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.947 0.595 2.218 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.780 1.071 4.448 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.549 2.705 3.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.784 0.832 3.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.993 2.074 2.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.671 0.542 2.133 1.00 0.00 H new ATOM 112 N VAL A 8 10.500 4.654 5.746 1.00 0.00 N ATOM 113 CA VAL A 8 10.358 5.803 6.604 1.00 0.00 C ATOM 114 C VAL A 8 11.428 6.178 7.553 1.00 0.00 C ATOM 115 O VAL A 8 11.808 5.773 8.618 1.00 0.00 O ATOM 116 CB VAL A 8 9.025 5.417 7.335 1.00 0.00 C ATOM 117 CG1 VAL A 8 9.102 5.202 8.827 1.00 0.00 C ATOM 118 CG2 VAL A 8 7.944 6.490 7.227 1.00 0.00 C ATOM 0 H VAL A 8 10.399 4.822 4.745 1.00 0.00 H new ATOM 0 HA VAL A 8 10.390 6.717 6.011 1.00 0.00 H new ATOM 0 HB VAL A 8 8.802 4.486 6.814 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.115 4.941 9.208 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.800 4.393 9.042 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.447 6.117 9.309 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.049 6.159 7.754 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.306 7.417 7.672 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.705 6.661 6.177 1.00 0.00 H new ATOM 300 N LEU A 21 3.443 5.704 8.522 1.00 0.00 N ATOM 301 CA LEU A 21 3.444 4.384 7.906 1.00 0.00 C ATOM 302 C LEU A 21 4.876 3.830 8.071 1.00 0.00 C ATOM 303 O LEU A 21 5.614 4.351 8.875 1.00 0.00 O ATOM 304 CB LEU A 21 3.032 4.450 6.446 1.00 0.00 C ATOM 305 CG LEU A 21 2.677 5.826 5.927 1.00 0.00 C ATOM 306 CD1 LEU A 21 3.882 6.800 5.878 1.00 0.00 C ATOM 307 CD2 LEU A 21 2.173 5.735 4.461 1.00 0.00 C ATOM 0 HA LEU A 21 2.717 3.728 8.385 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.845 4.052 5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.174 3.794 6.299 1.00 0.00 H new ATOM 0 HG LEU A 21 1.923 6.199 6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.553 7.767 5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.289 6.926 6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.652 6.394 5.222 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.921 6.732 4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.955 5.309 3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.288 5.100 4.419 1.00 0.00 H new ATOM 319 N LYS A 22 5.096 2.809 7.273 1.00 0.00 N ATOM 320 CA LYS A 22 6.295 2.024 7.152 1.00 0.00 C ATOM 321 C LYS A 22 5.743 0.637 6.718 1.00 0.00 C ATOM 322 O LYS A 22 4.557 0.477 6.691 1.00 0.00 O ATOM 323 CB LYS A 22 6.783 1.656 8.588 1.00 0.00 C ATOM 324 CG LYS A 22 5.670 1.224 9.573 1.00 0.00 C ATOM 325 CD LYS A 22 6.059 1.203 11.021 1.00 0.00 C ATOM 326 CE LYS A 22 7.468 1.759 11.316 1.00 0.00 C ATOM 327 NZ LYS A 22 7.813 1.744 12.722 1.00 0.00 N ATOM 0 H LYS A 22 4.370 2.481 6.636 1.00 0.00 H new ATOM 0 HA LYS A 22 7.042 2.521 6.533 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.511 0.848 8.511 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.304 2.516 9.009 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.822 1.898 9.453 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.328 0.228 9.293 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.329 1.780 11.588 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.005 0.176 11.383 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.203 1.174 10.763 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.531 2.782 10.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.770 2.130 12.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.133 2.324 13.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.784 0.767 13.076 1.00 0.00 H new ATOM 341 N LEU A 23 6.762 -0.166 6.444 1.00 0.00 N ATOM 342 CA LEU A 23 6.420 -1.518 6.027 1.00 0.00 C ATOM 343 C LEU A 23 7.120 -2.304 7.175 1.00 0.00 C ATOM 344 O LEU A 23 7.928 -1.589 7.775 1.00 0.00 O ATOM 345 CB LEU A 23 6.727 -1.896 4.631 1.00 0.00 C ATOM 346 CG LEU A 23 5.477 -1.984 3.704 1.00 0.00 C ATOM 347 CD1 LEU A 23 5.904 -2.062 2.236 1.00 0.00 C ATOM 348 CD2 LEU A 23 4.590 -3.164 3.946 1.00 0.00 C ATOM 0 H LEU A 23 7.754 0.066 6.496 1.00 0.00 H new ATOM 0 HA LEU A 23 5.353 -1.720 5.932 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.424 -1.169 4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.234 -2.861 4.631 1.00 0.00 H new ATOM 0 HG LEU A 23 4.914 -1.080 3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.019 -2.123 1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.476 -1.171 1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.521 -2.947 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.750 -3.136 3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.156 -4.083 3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.217 -3.135 4.970 1.00 0.00 H new ATOM 360 N THR A 24 6.739 -3.548 7.305 1.00 0.00 N ATOM 361 CA THR A 24 7.267 -4.431 8.327 1.00 0.00 C ATOM 362 C THR A 24 6.588 -5.805 8.176 1.00 0.00 C ATOM 363 O THR A 24 5.501 -6.049 8.675 1.00 0.00 O ATOM 364 CB THR A 24 6.918 -3.873 9.706 1.00 0.00 C ATOM 365 OG1 THR A 24 7.501 -2.637 10.050 1.00 0.00 O ATOM 366 CG2 THR A 24 6.996 -4.874 10.871 1.00 0.00 C ATOM 0 H THR A 24 6.045 -3.987 6.700 1.00 0.00 H new ATOM 0 HA THR A 24 8.349 -4.517 8.223 1.00 0.00 H new ATOM 0 HB THR A 24 5.860 -3.661 9.555 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.048 -2.314 9.303 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.729 -4.372 11.801 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.304 -5.696 10.691 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.011 -5.264 10.948 1.00 0.00 H new ATOM 374 N ILE A 25 7.298 -6.661 7.472 1.00 0.00 N ATOM 375 CA ILE A 25 6.754 -7.980 7.278 1.00 0.00 C ATOM 376 C ILE A 25 7.682 -9.008 7.930 1.00 0.00 C ATOM 377 O ILE A 25 8.875 -8.820 7.820 1.00 0.00 O ATOM 378 CB ILE A 25 6.667 -8.141 5.756 1.00 0.00 C ATOM 379 CG1 ILE A 25 5.881 -7.041 5.037 1.00 0.00 C ATOM 380 CG2 ILE A 25 6.017 -9.504 5.449 1.00 0.00 C ATOM 381 CD1 ILE A 25 6.765 -5.909 4.535 1.00 0.00 C ATOM 0 H ILE A 25 8.207 -6.479 7.045 1.00 0.00 H new ATOM 0 HA ILE A 25 5.775 -8.127 7.734 1.00 0.00 H new ATOM 0 HB ILE A 25 7.687 -8.070 5.380 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.345 -7.477 4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.131 -6.635 5.716 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.946 -9.638 4.370 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.626 -10.302 5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.019 -9.538 5.885 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.150 -5.161 4.035 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.281 -5.449 5.378 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.498 -6.304 3.832 1.00 0.00 H new ATOM 393 N THR A 26 7.059 -9.994 8.549 1.00 0.00 N ATOM 394 CA THR A 26 7.910 -10.962 9.164 1.00 0.00 C ATOM 395 C THR A 26 7.051 -12.198 9.484 1.00 0.00 C ATOM 396 O THR A 26 6.566 -12.315 10.592 1.00 0.00 O ATOM 397 CB THR A 26 8.558 -10.472 10.454 1.00 0.00 C ATOM 398 OG1 THR A 26 8.862 -9.110 10.479 1.00 0.00 O ATOM 399 CG2 THR A 26 9.864 -11.259 10.687 1.00 0.00 C ATOM 0 H THR A 26 6.052 -10.133 8.632 1.00 0.00 H new ATOM 0 HA THR A 26 8.722 -11.180 8.470 1.00 0.00 H new ATOM 0 HB THR A 26 7.818 -10.639 11.237 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.245 -8.844 9.617 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.336 -10.916 11.608 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.638 -12.322 10.769 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.542 -11.095 9.849 1.00 0.00 H new ATOM 407 N GLN A 27 7.004 -12.966 8.372 1.00 0.00 N ATOM 408 CA GLN A 27 6.254 -14.190 8.456 1.00 0.00 C ATOM 409 C GLN A 27 6.608 -14.936 9.752 1.00 0.00 C ATOM 410 O GLN A 27 7.787 -14.967 10.089 1.00 0.00 O ATOM 411 CB GLN A 27 6.423 -15.086 7.214 1.00 0.00 C ATOM 412 CG GLN A 27 7.713 -14.894 6.436 1.00 0.00 C ATOM 413 CD GLN A 27 8.960 -14.741 7.318 1.00 0.00 C ATOM 414 OE1 GLN A 27 9.377 -15.647 8.012 1.00 0.00 O ATOM 415 NE2 GLN A 27 9.494 -13.521 7.222 1.00 0.00 N ATOM 0 H GLN A 27 7.449 -12.763 7.477 1.00 0.00 H new ATOM 0 HA GLN A 27 5.197 -13.925 8.482 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.361 -16.128 7.529 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.584 -14.906 6.542 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.854 -15.746 5.771 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.616 -14.010 5.806 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.069 -12.825 6.609 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.327 -13.285 7.762 1.00 0.00 H new ATOM 424 N GLU A 28 5.525 -15.461 10.347 1.00 0.00 N ATOM 425 CA GLU A 28 5.715 -16.200 11.593 1.00 0.00 C ATOM 426 C GLU A 28 5.968 -17.658 11.226 1.00 0.00 C ATOM 427 O GLU A 28 6.061 -18.434 12.171 1.00 0.00 O ATOM 428 CB GLU A 28 4.417 -16.046 12.384 1.00 0.00 C ATOM 429 CG GLU A 28 4.489 -16.434 13.858 1.00 0.00 C ATOM 430 CD GLU A 28 5.663 -15.708 14.519 1.00 0.00 C ATOM 431 OE1 GLU A 28 5.941 -14.558 14.182 1.00 0.00 O ATOM 432 OE2 GLU A 28 6.282 -16.340 15.385 1.00 0.00 O ATOM 0 H GLU A 28 4.566 -15.393 10.007 1.00 0.00 H new ATOM 0 HA GLU A 28 6.555 -15.839 12.187 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.093 -15.007 12.316 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.648 -16.652 11.905 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.557 -16.173 14.360 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.613 -17.513 13.956 1.00 0.00 H new ATOM 439 N GLY A 29 6.058 -17.918 9.905 1.00 0.00 N ATOM 440 CA GLY A 29 6.299 -19.332 9.616 1.00 0.00 C ATOM 441 C GLY A 29 5.369 -19.542 8.394 1.00 0.00 C ATOM 442 O GLY A 29 5.776 -19.925 7.314 1.00 0.00 O ATOM 0 H GLY A 29 5.980 -17.267 9.124 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.344 -19.533 9.379 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.032 -19.976 10.454 1.00 0.00 H new ATOM 446 N ASN A 30 4.096 -19.234 8.755 1.00 0.00 N ATOM 447 CA ASN A 30 3.026 -19.332 7.842 1.00 0.00 C ATOM 448 C ASN A 30 2.209 -18.024 7.881 1.00 0.00 C ATOM 449 O ASN A 30 1.385 -17.940 6.972 1.00 0.00 O ATOM 450 CB ASN A 30 1.977 -20.442 8.132 1.00 0.00 C ATOM 451 CG ASN A 30 2.612 -21.674 8.714 1.00 0.00 C ATOM 452 OD1 ASN A 30 2.681 -22.712 8.063 1.00 0.00 O ATOM 453 ND2 ASN A 30 3.080 -21.535 9.964 1.00 0.00 N ATOM 0 H ASN A 30 3.828 -18.918 9.687 1.00 0.00 H new ATOM 0 HA ASN A 30 3.517 -19.556 6.895 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.225 -20.060 8.823 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.459 -20.702 7.209 1.00 0.00 H new ATOM 0 HD21 ASN A 30 3.527 -22.323 10.432 1.00 0.00 H new ATOM 0 HD22 ASN A 30 2.988 -20.641 10.446 1.00 0.00 H new ATOM 460 N LYS A 31 2.432 -17.140 8.816 1.00 0.00 N ATOM 461 CA LYS A 31 1.612 -15.930 8.777 1.00 0.00 C ATOM 462 C LYS A 31 2.536 -15.053 7.919 1.00 0.00 C ATOM 463 O LYS A 31 3.676 -15.487 7.708 1.00 0.00 O ATOM 464 CB LYS A 31 1.379 -15.346 10.131 1.00 0.00 C ATOM 465 CG LYS A 31 0.299 -16.175 10.864 1.00 0.00 C ATOM 466 CD LYS A 31 -0.411 -15.363 11.917 1.00 0.00 C ATOM 467 CE LYS A 31 -1.571 -16.198 12.469 1.00 0.00 C ATOM 468 NZ LYS A 31 -2.872 -15.543 12.243 1.00 0.00 N ATOM 0 H LYS A 31 3.118 -17.209 9.568 1.00 0.00 H new ATOM 0 HA LYS A 31 0.599 -16.066 8.399 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.306 -15.346 10.705 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.059 -14.308 10.042 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.427 -16.547 10.141 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.762 -17.046 11.328 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.278 -15.094 12.718 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.783 -14.431 11.491 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.571 -17.179 11.995 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.426 -16.360 13.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.281 -15.260 13.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.738 -14.701 11.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.516 -16.206 11.766 1.00 0.00 H new ATOM 482 N PHE A 32 2.055 -13.917 7.469 1.00 0.00 N ATOM 483 CA PHE A 32 3.000 -13.129 6.650 1.00 0.00 C ATOM 484 C PHE A 32 2.175 -11.816 6.693 1.00 0.00 C ATOM 485 O PHE A 32 1.613 -11.465 5.702 1.00 0.00 O ATOM 486 CB PHE A 32 3.239 -13.748 5.324 1.00 0.00 C ATOM 487 CG PHE A 32 3.858 -12.746 4.358 1.00 0.00 C ATOM 488 CD1 PHE A 32 5.184 -12.370 4.286 1.00 0.00 C ATOM 489 CD2 PHE A 32 3.083 -12.089 3.417 1.00 0.00 C ATOM 490 CE1 PHE A 32 5.619 -11.439 3.357 1.00 0.00 C ATOM 491 CE2 PHE A 32 3.595 -11.173 2.530 1.00 0.00 C ATOM 492 CZ PHE A 32 4.754 -10.850 2.477 1.00 0.00 C ATOM 0 H PHE A 32 1.123 -13.532 7.621 1.00 0.00 H new ATOM 0 HA PHE A 32 4.036 -13.022 6.971 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.899 -14.608 5.434 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.298 -14.118 4.916 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.897 -12.810 4.968 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.026 -12.307 3.378 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.665 -11.172 3.327 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.912 -10.711 1.833 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.098 -10.120 1.759 1.00 0.00 H new ATOM 502 N THR A 33 2.272 -11.316 7.918 1.00 0.00 N ATOM 503 CA THR A 33 1.549 -10.073 8.139 1.00 0.00 C ATOM 504 C THR A 33 2.366 -9.071 7.373 1.00 0.00 C ATOM 505 O THR A 33 3.601 -9.112 7.460 1.00 0.00 O ATOM 506 CB THR A 33 1.484 -9.844 9.621 1.00 0.00 C ATOM 507 OG1 THR A 33 0.182 -10.084 10.110 1.00 0.00 O ATOM 508 CG2 THR A 33 1.765 -8.423 10.035 1.00 0.00 C ATOM 0 H THR A 33 2.791 -11.705 8.705 1.00 0.00 H new ATOM 0 HA THR A 33 0.513 -10.037 7.801 1.00 0.00 H new ATOM 0 HB THR A 33 2.239 -10.521 10.020 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.163 -9.931 11.078 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.699 -8.340 11.120 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.766 -8.141 9.710 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.033 -7.759 9.575 1.00 0.00 H new ATOM 516 N VAL A 34 1.619 -8.247 6.690 1.00 0.00 N ATOM 517 CA VAL A 34 2.365 -7.211 5.917 1.00 0.00 C ATOM 518 C VAL A 34 1.909 -5.978 6.638 1.00 0.00 C ATOM 519 O VAL A 34 0.803 -5.816 7.099 1.00 0.00 O ATOM 520 CB VAL A 34 1.819 -7.456 4.536 1.00 0.00 C ATOM 521 CG1 VAL A 34 0.926 -6.386 3.923 1.00 0.00 C ATOM 522 CG2 VAL A 34 2.939 -7.661 3.470 1.00 0.00 C ATOM 0 H VAL A 34 0.601 -8.238 6.631 1.00 0.00 H new ATOM 0 HA VAL A 34 3.452 -7.179 5.841 1.00 0.00 H new ATOM 0 HB VAL A 34 1.221 -8.344 4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.610 -6.702 2.929 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.049 -6.239 4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.479 -5.450 3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.485 -7.833 2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.567 -6.771 3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.549 -8.522 3.744 1.00 0.00 H new ATOM 532 N LYS A 35 2.887 -5.058 6.720 1.00 0.00 N ATOM 533 CA LYS A 35 2.657 -3.814 7.369 1.00 0.00 C ATOM 534 C LYS A 35 2.402 -2.608 6.509 1.00 0.00 C ATOM 535 O LYS A 35 2.952 -1.542 6.391 1.00 0.00 O ATOM 536 CB LYS A 35 3.754 -3.624 8.464 1.00 0.00 C ATOM 537 CG LYS A 35 3.968 -2.180 8.914 1.00 0.00 C ATOM 538 CD LYS A 35 4.352 -1.960 10.351 1.00 0.00 C ATOM 539 CE LYS A 35 3.177 -1.488 11.250 1.00 0.00 C ATOM 540 NZ LYS A 35 3.197 -0.043 11.411 1.00 0.00 N ATOM 0 H LYS A 35 3.826 -5.177 6.340 1.00 0.00 H new ATOM 0 HA LYS A 35 1.673 -3.884 7.833 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.487 -4.225 9.333 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.698 -4.015 8.084 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.743 -1.741 8.286 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.050 -1.626 8.721 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.756 -2.888 10.755 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.150 -1.219 10.394 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.229 -1.796 10.809 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.245 -1.968 12.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.365 0.257 11.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.063 0.238 11.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.177 0.411 10.475 1.00 0.00 H new ATOM 554 N GLU A 36 1.298 -2.845 5.725 1.00 0.00 N ATOM 555 CA GLU A 36 0.783 -1.908 4.797 1.00 0.00 C ATOM 556 C GLU A 36 0.070 -0.752 5.545 1.00 0.00 C ATOM 557 O GLU A 36 -1.057 -0.440 5.104 1.00 0.00 O ATOM 558 CB GLU A 36 -0.304 -2.612 3.952 1.00 0.00 C ATOM 559 CG GLU A 36 -1.272 -3.551 4.688 1.00 0.00 C ATOM 560 CD GLU A 36 -1.566 -3.030 6.083 1.00 0.00 C ATOM 561 OE1 GLU A 36 -0.829 -3.286 7.027 1.00 0.00 O ATOM 562 OE2 GLU A 36 -2.561 -2.335 6.256 1.00 0.00 O ATOM 0 H GLU A 36 0.771 -3.717 5.758 1.00 0.00 H new ATOM 0 HA GLU A 36 1.604 -1.526 4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.894 -1.843 3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.195 -3.187 3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.201 -3.639 4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.841 -4.550 4.751 1.00 0.00 H new ATOM 569 N SER A 37 0.677 -0.181 6.573 1.00 0.00 N ATOM 570 CA SER A 37 -0.059 0.915 7.232 1.00 0.00 C ATOM 571 C SER A 37 -0.348 1.981 6.201 1.00 0.00 C ATOM 572 O SER A 37 0.520 2.303 5.376 1.00 0.00 O ATOM 573 CB SER A 37 0.832 1.425 8.345 1.00 0.00 C ATOM 574 OG SER A 37 0.158 2.584 8.850 1.00 0.00 O ATOM 0 H SER A 37 1.593 -0.420 6.952 1.00 0.00 H new ATOM 0 HA SER A 37 -1.013 0.596 7.652 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.963 0.673 9.123 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.826 1.676 7.973 1.00 0.00 H new ATOM 0 HG SER A 37 -0.809 2.425 8.852 1.00 0.00 H new ATOM 580 N SER A 38 -1.606 2.490 6.304 1.00 0.00 N ATOM 581 CA SER A 38 -1.927 3.511 5.332 1.00 0.00 C ATOM 582 C SER A 38 -3.315 4.123 5.484 1.00 0.00 C ATOM 583 O SER A 38 -4.286 3.381 5.542 1.00 0.00 O ATOM 584 CB SER A 38 -1.837 2.836 3.942 1.00 0.00 C ATOM 585 OG SER A 38 -3.094 2.491 3.433 1.00 0.00 O ATOM 0 H SER A 38 -2.327 2.233 6.978 1.00 0.00 H new ATOM 0 HA SER A 38 -1.227 4.334 5.472 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.339 3.510 3.245 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.220 1.941 4.015 1.00 0.00 H new ATOM 0 HG SER A 38 -3.728 2.383 4.172 1.00 0.00 H new ATOM 591 N ASN A 39 -3.273 5.464 5.532 1.00 0.00 N ATOM 592 CA ASN A 39 -4.491 6.249 5.666 1.00 0.00 C ATOM 593 C ASN A 39 -5.131 6.053 7.033 1.00 0.00 C ATOM 594 O ASN A 39 -5.183 7.003 7.802 1.00 0.00 O ATOM 595 CB ASN A 39 -5.450 5.748 4.596 1.00 0.00 C ATOM 596 CG ASN A 39 -6.120 6.942 3.899 1.00 0.00 C ATOM 597 OD1 ASN A 39 -6.762 7.758 4.556 1.00 0.00 O ATOM 598 ND2 ASN A 39 -5.910 6.960 2.563 1.00 0.00 N ATOM 0 H ASN A 39 -2.415 6.014 5.480 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.264 7.309 5.557 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.912 5.144 3.866 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.207 5.105 5.045 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.305 7.709 1.995 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.357 6.224 2.124 1.00 0.00 H new ATOM 605 N PHE A 40 -5.582 4.801 7.235 1.00 0.00 N ATOM 606 CA PHE A 40 -6.194 4.601 8.515 1.00 0.00 C ATOM 607 C PHE A 40 -5.494 3.520 9.339 1.00 0.00 C ATOM 608 O PHE A 40 -5.726 2.376 9.050 1.00 0.00 O ATOM 609 CB PHE A 40 -7.674 4.173 8.298 1.00 0.00 C ATOM 610 CG PHE A 40 -8.431 5.156 7.502 1.00 0.00 C ATOM 611 CD1 PHE A 40 -8.557 6.453 7.895 1.00 0.00 C ATOM 612 CD2 PHE A 40 -9.060 4.838 6.328 1.00 0.00 C ATOM 613 CE1 PHE A 40 -9.278 7.342 7.119 1.00 0.00 C ATOM 614 CE2 PHE A 40 -9.759 5.767 5.613 1.00 0.00 C ATOM 615 CZ PHE A 40 -9.877 6.933 5.950 1.00 0.00 C ATOM 0 H PHE A 40 -5.536 4.007 6.596 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.120 5.539 9.065 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.700 3.206 7.796 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.158 4.043 9.266 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -8.094 6.787 8.812 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.001 3.825 5.958 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -9.372 8.371 7.435 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.235 5.451 4.696 1.00 0.00 H new ATOM 0 HZ PHE A 40 -10.439 7.629 5.345 1.00 0.00 H new ATOM 625 N ARG A 41 -4.692 3.945 10.298 1.00 0.00 N ATOM 626 CA ARG A 41 -3.937 3.099 11.193 1.00 0.00 C ATOM 627 C ARG A 41 -2.916 2.183 10.577 1.00 0.00 C ATOM 628 O ARG A 41 -2.688 2.303 9.374 1.00 0.00 O ATOM 629 CB ARG A 41 -4.936 2.211 11.972 1.00 0.00 C ATOM 630 CG ARG A 41 -6.177 2.973 12.387 1.00 0.00 C ATOM 631 CD ARG A 41 -7.474 2.508 11.659 1.00 0.00 C ATOM 632 NE ARG A 41 -8.566 2.985 12.481 1.00 0.00 N ATOM 633 CZ ARG A 41 -9.627 2.244 12.828 1.00 0.00 C ATOM 634 NH1 ARG A 41 -9.803 0.997 12.464 1.00 0.00 N ATOM 635 NH2 ARG A 41 -10.577 2.785 13.590 1.00 0.00 N ATOM 0 H ARG A 41 -4.545 4.938 10.479 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.366 3.796 11.806 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.224 1.362 11.353 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.446 1.808 12.858 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.316 2.864 13.463 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.023 4.034 12.192 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.530 2.922 10.652 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.502 1.423 11.559 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.525 3.947 12.818 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.107 0.533 11.880 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.636 0.491 12.765 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.491 3.752 13.902 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.390 2.232 13.861 1.00 0.00 H new ATOM 649 N ASN A 42 -2.339 1.310 11.420 1.00 0.00 N ATOM 650 CA ASN A 42 -1.362 0.426 10.838 1.00 0.00 C ATOM 651 C ASN A 42 -2.069 -0.862 10.350 1.00 0.00 C ATOM 652 O ASN A 42 -1.519 -1.549 9.511 1.00 0.00 O ATOM 653 CB ASN A 42 -0.144 0.135 11.723 1.00 0.00 C ATOM 654 CG ASN A 42 -0.311 0.643 13.144 1.00 0.00 C ATOM 655 OD1 ASN A 42 0.411 1.434 13.748 1.00 0.00 O ATOM 656 ND2 ASN A 42 -1.420 0.077 13.668 1.00 0.00 N ATOM 0 H ASN A 42 -2.521 1.211 12.419 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.926 0.948 9.986 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.034 -0.940 11.745 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.739 0.595 11.280 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.704 0.299 14.622 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.974 -0.572 13.109 1.00 0.00 H new ATOM 663 N ILE A 43 -3.217 -0.960 10.986 1.00 0.00 N ATOM 664 CA ILE A 43 -4.160 -2.050 10.751 1.00 0.00 C ATOM 665 C ILE A 43 -3.581 -3.082 9.849 1.00 0.00 C ATOM 666 O ILE A 43 -3.822 -3.247 8.666 1.00 0.00 O ATOM 667 CB ILE A 43 -5.332 -1.303 10.076 1.00 0.00 C ATOM 668 CG1 ILE A 43 -6.485 -2.185 9.644 1.00 0.00 C ATOM 669 CG2 ILE A 43 -4.845 -0.650 8.763 1.00 0.00 C ATOM 670 CD1 ILE A 43 -7.132 -2.965 10.804 1.00 0.00 C ATOM 0 H ILE A 43 -3.530 -0.287 11.685 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.442 -2.597 11.651 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.673 -0.601 10.837 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.244 -1.567 9.164 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.130 -2.893 8.895 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.674 -0.124 8.289 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.045 0.057 8.983 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.472 -1.422 8.089 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.950 -3.575 10.421 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.386 -3.609 11.270 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.518 -2.263 11.543 1.00 0.00 H new ATOM 682 N ASP A 44 -2.693 -3.895 10.468 1.00 0.00 N ATOM 683 CA ASP A 44 -2.018 -4.955 9.770 1.00 0.00 C ATOM 684 C ASP A 44 -3.000 -5.848 9.056 1.00 0.00 C ATOM 685 O ASP A 44 -4.119 -5.997 9.546 1.00 0.00 O ATOM 686 CB ASP A 44 -1.170 -5.875 10.685 1.00 0.00 C ATOM 687 CG ASP A 44 -1.550 -5.868 12.142 1.00 0.00 C ATOM 688 OD1 ASP A 44 -1.153 -4.919 12.844 1.00 0.00 O ATOM 689 OD2 ASP A 44 -2.229 -6.781 12.595 1.00 0.00 O ATOM 0 H ASP A 44 -2.443 -3.817 11.454 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.356 -4.438 9.076 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.245 -6.897 10.313 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.124 -5.580 10.599 1.00 0.00 H new ATOM 694 N VAL A 45 -2.518 -6.377 7.947 1.00 0.00 N ATOM 695 CA VAL A 45 -3.384 -7.265 7.166 1.00 0.00 C ATOM 696 C VAL A 45 -2.768 -8.645 7.348 1.00 0.00 C ATOM 697 O VAL A 45 -1.807 -8.938 6.660 1.00 0.00 O ATOM 698 CB VAL A 45 -3.478 -6.839 5.728 1.00 0.00 C ATOM 699 CG1 VAL A 45 -4.095 -7.928 4.801 1.00 0.00 C ATOM 700 CG2 VAL A 45 -4.406 -5.641 5.499 1.00 0.00 C ATOM 0 H VAL A 45 -1.581 -6.224 7.573 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.420 -7.246 7.504 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.437 -6.616 5.493 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.134 -7.555 3.777 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.480 -8.827 4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.104 -8.165 5.139 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.423 -5.391 4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.414 -5.893 5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.042 -4.785 6.067 1.00 0.00 H new ATOM 710 N VAL A 46 -3.352 -9.418 8.270 1.00 0.00 N ATOM 711 CA VAL A 46 -2.739 -10.709 8.412 1.00 0.00 C ATOM 712 C VAL A 46 -3.520 -11.889 7.840 1.00 0.00 C ATOM 713 O VAL A 46 -4.700 -11.771 7.554 1.00 0.00 O ATOM 714 CB VAL A 46 -2.740 -10.961 9.944 1.00 0.00 C ATOM 715 CG1 VAL A 46 -4.107 -11.216 10.563 1.00 0.00 C ATOM 716 CG2 VAL A 46 -1.958 -12.217 10.331 1.00 0.00 C ATOM 0 H VAL A 46 -4.154 -9.197 8.860 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.783 -10.672 7.890 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.306 -10.031 10.312 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.996 -11.380 11.635 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.750 -10.353 10.392 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.555 -12.098 10.106 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.990 -12.347 11.413 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.404 -13.086 9.848 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.922 -12.114 10.009 1.00 0.00 H new ATOM 726 N PHE A 47 -2.717 -12.944 7.736 1.00 0.00 N ATOM 727 CA PHE A 47 -3.305 -14.149 7.206 1.00 0.00 C ATOM 728 C PHE A 47 -2.339 -15.321 7.332 1.00 0.00 C ATOM 729 O PHE A 47 -1.421 -15.155 8.135 1.00 0.00 O ATOM 730 CB PHE A 47 -3.596 -13.966 5.709 1.00 0.00 C ATOM 731 CG PHE A 47 -2.518 -13.072 5.099 1.00 0.00 C ATOM 732 CD1 PHE A 47 -2.579 -11.718 5.095 1.00 0.00 C ATOM 733 CD2 PHE A 47 -1.436 -13.714 4.524 1.00 0.00 C ATOM 734 CE1 PHE A 47 -1.542 -11.006 4.510 1.00 0.00 C ATOM 735 CE2 PHE A 47 -0.438 -12.930 3.954 1.00 0.00 C ATOM 736 CZ PHE A 47 -0.585 -11.569 4.000 1.00 0.00 C ATOM 0 H PHE A 47 -1.731 -12.986 7.993 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.218 -14.348 7.768 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.611 -14.934 5.207 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.580 -13.519 5.569 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.419 -11.203 5.539 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.368 -14.792 4.518 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.582 -9.927 4.505 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.426 -13.381 3.489 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.190 -10.958 3.560 1.00 0.00 H new ATOM 746 N GLU A 48 -2.566 -16.421 6.560 1.00 0.00 N ATOM 747 CA GLU A 48 -1.623 -17.494 6.715 1.00 0.00 C ATOM 748 C GLU A 48 -1.265 -18.255 5.416 1.00 0.00 C ATOM 749 O GLU A 48 -1.880 -19.267 5.160 1.00 0.00 O ATOM 750 CB GLU A 48 -2.381 -18.468 7.674 1.00 0.00 C ATOM 751 CG GLU A 48 -2.414 -18.030 9.107 1.00 0.00 C ATOM 752 CD GLU A 48 -3.596 -18.562 9.926 1.00 0.00 C ATOM 753 OE1 GLU A 48 -4.059 -19.655 9.678 1.00 0.00 O ATOM 754 OE2 GLU A 48 -4.057 -17.860 10.837 1.00 0.00 O ATOM 0 H GLU A 48 -3.326 -16.558 5.893 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.666 -17.107 7.066 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.405 -18.583 7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.912 -19.450 7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.488 -18.346 9.588 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.433 -16.941 9.137 1.00 0.00 H new ATOM 761 N LEU A 49 -0.294 -17.637 4.766 1.00 0.00 N ATOM 762 CA LEU A 49 0.317 -18.017 3.531 1.00 0.00 C ATOM 763 C LEU A 49 -0.448 -18.999 2.666 1.00 0.00 C ATOM 764 O LEU A 49 -0.424 -20.217 2.766 1.00 0.00 O ATOM 765 CB LEU A 49 1.718 -18.622 3.827 1.00 0.00 C ATOM 766 CG LEU A 49 2.809 -17.926 3.056 1.00 0.00 C ATOM 767 CD1 LEU A 49 2.469 -17.635 1.576 1.00 0.00 C ATOM 768 CD2 LEU A 49 3.063 -16.493 3.617 1.00 0.00 C ATOM 0 H LEU A 49 0.115 -16.778 5.135 1.00 0.00 H new ATOM 0 HA LEU A 49 0.354 -17.094 2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.926 -18.549 4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.716 -19.682 3.574 1.00 0.00 H new ATOM 0 HG LEU A 49 3.647 -18.617 3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.312 -17.133 1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.266 -18.572 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.589 -16.994 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.855 -16.013 3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.149 -15.904 3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.362 -16.560 4.663 1.00 0.00 H new ATOM 780 N GLY A 50 -1.188 -18.419 1.746 1.00 0.00 N ATOM 781 CA GLY A 50 -1.982 -19.243 0.835 1.00 0.00 C ATOM 782 C GLY A 50 -3.360 -19.365 1.509 1.00 0.00 C ATOM 783 O GLY A 50 -3.804 -20.487 1.528 1.00 0.00 O ATOM 0 H GLY A 50 -1.263 -17.412 1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.063 -18.779 -0.148 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.526 -20.222 0.689 1.00 0.00 H new ATOM 787 N VAL A 51 -3.870 -18.238 1.965 1.00 0.00 N ATOM 788 CA VAL A 51 -5.158 -18.181 2.622 1.00 0.00 C ATOM 789 C VAL A 51 -6.014 -17.028 2.133 1.00 0.00 C ATOM 790 O VAL A 51 -5.660 -15.859 2.260 1.00 0.00 O ATOM 791 CB VAL A 51 -5.074 -18.225 4.161 1.00 0.00 C ATOM 792 CG1 VAL A 51 -6.264 -17.779 4.951 1.00 0.00 C ATOM 793 CG2 VAL A 51 -4.942 -19.705 4.610 1.00 0.00 C ATOM 0 H VAL A 51 -3.401 -17.335 1.890 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.663 -19.101 2.327 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.245 -17.545 4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.049 -17.869 6.016 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.490 -16.739 4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.122 -18.403 4.700 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.882 -19.751 5.697 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.812 -20.267 4.271 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.040 -20.137 4.178 1.00 0.00 H new ATOM 803 N ASP A 52 -7.167 -17.451 1.562 1.00 0.00 N ATOM 804 CA ASP A 52 -8.049 -16.392 1.063 1.00 0.00 C ATOM 805 C ASP A 52 -8.840 -15.785 2.231 1.00 0.00 C ATOM 806 O ASP A 52 -8.965 -16.409 3.259 1.00 0.00 O ATOM 807 CB ASP A 52 -8.952 -16.798 -0.081 1.00 0.00 C ATOM 808 CG ASP A 52 -9.762 -18.064 0.282 1.00 0.00 C ATOM 809 OD1 ASP A 52 -9.185 -19.022 0.789 1.00 0.00 O ATOM 810 OD2 ASP A 52 -10.975 -18.067 0.055 1.00 0.00 O ATOM 0 H ASP A 52 -7.479 -18.415 1.446 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.400 -15.634 0.624 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.633 -15.981 -0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.354 -16.986 -0.973 1.00 0.00 H new ATOM 815 N PHE A 53 -9.302 -14.555 1.880 1.00 0.00 N ATOM 816 CA PHE A 53 -10.046 -13.933 2.930 1.00 0.00 C ATOM 817 C PHE A 53 -10.708 -12.636 2.511 1.00 0.00 C ATOM 818 O PHE A 53 -10.323 -12.141 1.464 1.00 0.00 O ATOM 819 CB PHE A 53 -9.160 -13.554 4.137 1.00 0.00 C ATOM 820 CG PHE A 53 -8.010 -12.663 3.720 1.00 0.00 C ATOM 821 CD1 PHE A 53 -7.088 -13.113 2.789 1.00 0.00 C ATOM 822 CD2 PHE A 53 -7.789 -11.405 4.188 1.00 0.00 C ATOM 823 CE1 PHE A 53 -6.054 -12.264 2.431 1.00 0.00 C ATOM 824 CE2 PHE A 53 -6.734 -10.621 3.792 1.00 0.00 C ATOM 825 CZ PHE A 53 -5.864 -11.141 2.867 1.00 0.00 C ATOM 0 H PHE A 53 -9.182 -14.055 0.999 1.00 0.00 H new ATOM 0 HA PHE A 53 -10.789 -14.687 3.190 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.764 -13.044 4.887 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.770 -14.459 4.603 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.173 -14.098 2.355 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.482 -11.001 4.911 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.351 -12.630 1.698 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.594 -9.629 4.195 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.018 -10.561 2.528 1.00 0.00 H new ATOM 835 N ALA A 54 -11.659 -12.092 3.275 1.00 0.00 N ATOM 836 CA ALA A 54 -12.300 -10.835 2.865 1.00 0.00 C ATOM 837 C ALA A 54 -12.093 -9.932 4.104 1.00 0.00 C ATOM 838 O ALA A 54 -12.939 -9.939 4.971 1.00 0.00 O ATOM 839 CB ALA A 54 -13.778 -11.001 2.568 1.00 0.00 C ATOM 0 H ALA A 54 -11.996 -12.485 4.154 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.878 -10.437 1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.199 -10.041 2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.908 -11.721 1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -14.290 -11.361 3.460 1.00 0.00 H new ATOM 845 N TYR A 55 -10.973 -9.211 4.114 1.00 0.00 N ATOM 846 CA TYR A 55 -10.770 -8.351 5.285 1.00 0.00 C ATOM 847 C TYR A 55 -11.445 -7.011 5.165 1.00 0.00 C ATOM 848 O TYR A 55 -11.506 -6.483 4.079 1.00 0.00 O ATOM 849 CB TYR A 55 -9.268 -8.276 5.625 1.00 0.00 C ATOM 850 CG TYR A 55 -8.949 -8.105 7.096 1.00 0.00 C ATOM 851 CD1 TYR A 55 -9.665 -8.622 8.146 1.00 0.00 C ATOM 852 CD2 TYR A 55 -7.847 -7.383 7.549 1.00 0.00 C ATOM 853 CE1 TYR A 55 -9.352 -8.451 9.472 1.00 0.00 C ATOM 854 CE2 TYR A 55 -7.607 -7.264 8.906 1.00 0.00 C ATOM 855 CZ TYR A 55 -8.390 -7.821 9.880 1.00 0.00 C ATOM 856 OH TYR A 55 -8.144 -7.691 11.213 1.00 0.00 O ATOM 0 H TYR A 55 -10.249 -9.197 3.396 1.00 0.00 H new ATOM 0 HA TYR A 55 -11.272 -8.808 6.137 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.785 -9.185 5.268 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.828 -7.444 5.075 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.541 -9.208 7.912 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.180 -6.916 6.840 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -10.002 -8.906 10.205 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.744 -6.694 9.217 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.334 -7.156 11.345 1.00 0.00 H new ATOM 866 N SER A 56 -11.911 -6.590 6.348 1.00 0.00 N ATOM 867 CA SER A 56 -12.589 -5.292 6.320 1.00 0.00 C ATOM 868 C SER A 56 -11.559 -4.344 6.998 1.00 0.00 C ATOM 869 O SER A 56 -11.877 -3.963 8.121 1.00 0.00 O ATOM 870 CB SER A 56 -13.870 -5.487 7.082 1.00 0.00 C ATOM 871 OG SER A 56 -13.727 -5.696 8.478 1.00 0.00 O ATOM 0 H SER A 56 -11.844 -7.069 7.246 1.00 0.00 H new ATOM 0 HA SER A 56 -12.865 -4.882 5.349 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.501 -4.612 6.927 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.398 -6.341 6.657 1.00 0.00 H new ATOM 0 HG SER A 56 -12.990 -5.146 8.817 1.00 0.00 H new ATOM 877 N LEU A 57 -10.486 -4.094 6.243 1.00 0.00 N ATOM 878 CA LEU A 57 -9.380 -3.232 6.663 1.00 0.00 C ATOM 879 C LEU A 57 -9.810 -2.004 7.453 1.00 0.00 C ATOM 880 O LEU A 57 -9.716 -2.077 8.685 1.00 0.00 O ATOM 881 CB LEU A 57 -8.567 -2.877 5.411 1.00 0.00 C ATOM 882 CG LEU A 57 -7.081 -2.920 5.744 1.00 0.00 C ATOM 883 CD1 LEU A 57 -6.275 -3.173 4.465 1.00 0.00 C ATOM 884 CD2 LEU A 57 -6.500 -1.614 6.261 1.00 0.00 C ATOM 0 H LEU A 57 -10.360 -4.490 5.311 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.761 -3.779 7.374 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.791 -3.578 4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.843 -1.885 5.054 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.009 -3.694 6.508 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.212 -3.203 4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.576 -4.125 4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.463 -2.371 3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.438 -1.745 6.470 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.628 -0.836 5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.016 -1.323 7.176 1.00 0.00 H new ATOM 896 N ALA A 58 -10.258 -0.934 6.784 1.00 0.00 N ATOM 897 CA ALA A 58 -10.669 0.227 7.535 1.00 0.00 C ATOM 898 C ALA A 58 -12.082 0.080 8.092 1.00 0.00 C ATOM 899 O ALA A 58 -12.181 -0.627 9.115 1.00 0.00 O ATOM 900 CB ALA A 58 -10.614 1.391 6.538 1.00 0.00 C ATOM 0 H ALA A 58 -10.338 -0.860 5.770 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.021 0.379 8.398 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.914 2.312 7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.597 1.498 6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.291 1.191 5.708 1.00 0.00 H new ATOM 906 N ASP A 59 -13.097 0.715 7.443 1.00 0.00 N ATOM 907 CA ASP A 59 -14.472 0.605 7.939 1.00 0.00 C ATOM 908 C ASP A 59 -15.416 0.101 6.872 1.00 0.00 C ATOM 909 O ASP A 59 -16.602 0.041 7.113 1.00 0.00 O ATOM 910 CB ASP A 59 -14.941 1.977 8.467 1.00 0.00 C ATOM 911 CG ASP A 59 -13.801 2.779 9.089 1.00 0.00 C ATOM 912 OD1 ASP A 59 -13.261 2.311 10.066 1.00 0.00 O ATOM 913 OD2 ASP A 59 -13.472 3.849 8.592 1.00 0.00 O ATOM 0 H ASP A 59 -12.983 1.286 6.606 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.483 -0.123 8.750 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.380 2.548 7.649 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.726 1.829 9.209 1.00 0.00 H new ATOM 918 N GLY A 60 -14.831 -0.249 5.704 1.00 0.00 N ATOM 919 CA GLY A 60 -15.649 -0.741 4.635 1.00 0.00 C ATOM 920 C GLY A 60 -14.821 -0.802 3.327 1.00 0.00 C ATOM 921 O GLY A 60 -15.308 -0.223 2.366 1.00 0.00 O ATOM 0 H GLY A 60 -13.832 -0.194 5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.029 -1.732 4.882 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.514 -0.092 4.499 1.00 0.00 H new ATOM 925 N THR A 61 -13.686 -1.473 3.394 1.00 0.00 N ATOM 926 CA THR A 61 -12.796 -1.641 2.257 1.00 0.00 C ATOM 927 C THR A 61 -13.191 -2.965 1.552 1.00 0.00 C ATOM 928 O THR A 61 -13.641 -2.866 0.430 1.00 0.00 O ATOM 929 CB THR A 61 -11.321 -1.541 2.640 1.00 0.00 C ATOM 930 OG1 THR A 61 -10.840 -2.560 3.475 1.00 0.00 O ATOM 931 CG2 THR A 61 -11.034 -0.194 3.335 1.00 0.00 C ATOM 0 H THR A 61 -13.352 -1.922 4.247 1.00 0.00 H new ATOM 0 HA THR A 61 -12.917 -0.820 1.551 1.00 0.00 H new ATOM 0 HB THR A 61 -10.798 -1.638 1.688 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.230 -3.136 2.969 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.978 -0.140 3.601 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.280 0.624 2.658 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.640 -0.114 4.237 1.00 0.00 H new ATOM 939 N GLU A 62 -12.991 -4.050 2.290 1.00 0.00 N ATOM 940 CA GLU A 62 -13.362 -5.354 1.782 1.00 0.00 C ATOM 941 C GLU A 62 -12.298 -5.900 0.857 1.00 0.00 C ATOM 942 O GLU A 62 -12.633 -6.620 -0.091 1.00 0.00 O ATOM 943 CB GLU A 62 -14.715 -5.322 1.069 1.00 0.00 C ATOM 944 CG GLU A 62 -15.660 -6.463 1.448 1.00 0.00 C ATOM 945 CD GLU A 62 -15.232 -7.624 0.528 1.00 0.00 C ATOM 946 OE1 GLU A 62 -15.760 -7.725 -0.557 1.00 0.00 O ATOM 947 OE2 GLU A 62 -14.353 -8.362 1.004 1.00 0.00 O ATOM 0 H GLU A 62 -12.582 -4.050 3.224 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.451 -6.017 2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.205 -4.373 1.289 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.545 -5.351 -0.007 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.561 -6.730 2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.702 -6.189 1.286 1.00 0.00 H new ATOM 954 N LEU A 63 -11.046 -5.541 1.180 1.00 0.00 N ATOM 955 CA LEU A 63 -9.937 -6.016 0.393 1.00 0.00 C ATOM 956 C LEU A 63 -9.838 -7.551 0.458 1.00 0.00 C ATOM 957 O LEU A 63 -9.070 -8.087 1.221 1.00 0.00 O ATOM 958 CB LEU A 63 -8.616 -5.408 0.864 1.00 0.00 C ATOM 959 CG LEU A 63 -8.154 -4.244 -0.013 1.00 0.00 C ATOM 960 CD1 LEU A 63 -8.854 -2.927 0.281 1.00 0.00 C ATOM 961 CD2 LEU A 63 -6.647 -3.996 0.120 1.00 0.00 C ATOM 0 H LEU A 63 -10.796 -4.938 1.964 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.119 -5.707 -0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.727 -5.061 1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.847 -6.181 0.869 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.415 -4.560 -1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.469 -2.154 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.926 -3.041 0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.670 -2.640 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.358 -3.161 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.407 -3.760 1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.103 -4.890 -0.184 1.00 0.00 H new ATOM 973 N THR A 64 -10.671 -8.162 -0.399 1.00 0.00 N ATOM 974 CA THR A 64 -10.806 -9.570 -0.589 1.00 0.00 C ATOM 975 C THR A 64 -9.466 -9.969 -1.260 1.00 0.00 C ATOM 976 O THR A 64 -9.209 -9.486 -2.354 1.00 0.00 O ATOM 977 CB THR A 64 -11.916 -9.854 -1.616 1.00 0.00 C ATOM 978 OG1 THR A 64 -13.135 -9.279 -1.235 1.00 0.00 O ATOM 979 CG2 THR A 64 -12.109 -11.332 -1.803 1.00 0.00 C ATOM 0 H THR A 64 -11.297 -7.631 -1.004 1.00 0.00 H new ATOM 0 HA THR A 64 -11.034 -10.093 0.340 1.00 0.00 H new ATOM 0 HB THR A 64 -11.596 -9.405 -2.556 1.00 0.00 H new ATOM 0 HG1 THR A 64 -13.134 -9.121 -0.268 1.00 0.00 H new ATOM 0 HG21 THR A 64 -12.899 -11.506 -2.534 1.00 0.00 H new ATOM 0 HG22 THR A 64 -11.180 -11.778 -2.159 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.388 -11.786 -0.852 1.00 0.00 H new ATOM 987 N GLY A 65 -8.736 -10.815 -0.539 1.00 0.00 N ATOM 988 CA GLY A 65 -7.472 -11.115 -1.240 1.00 0.00 C ATOM 989 C GLY A 65 -7.071 -12.544 -0.903 1.00 0.00 C ATOM 990 O GLY A 65 -7.961 -13.310 -0.615 1.00 0.00 O ATOM 0 H GLY A 65 -8.932 -11.244 0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.597 -10.999 -2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.692 -10.418 -0.933 1.00 0.00 H new ATOM 994 N THR A 66 -5.737 -12.653 -1.025 1.00 0.00 N ATOM 995 CA THR A 66 -5.029 -13.906 -0.812 1.00 0.00 C ATOM 996 C THR A 66 -3.570 -13.801 -1.197 1.00 0.00 C ATOM 997 O THR A 66 -3.176 -13.330 -2.284 1.00 0.00 O ATOM 998 CB THR A 66 -5.683 -14.987 -1.684 1.00 0.00 C ATOM 999 OG1 THR A 66 -5.043 -16.186 -1.357 1.00 0.00 O ATOM 1000 CG2 THR A 66 -5.473 -14.604 -3.169 1.00 0.00 C ATOM 0 H THR A 66 -5.130 -11.872 -1.274 1.00 0.00 H new ATOM 0 HA THR A 66 -5.086 -14.154 0.248 1.00 0.00 H new ATOM 0 HB THR A 66 -6.756 -15.086 -1.518 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.425 -16.916 -1.887 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.930 -15.360 -3.808 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.935 -13.636 -3.364 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.406 -14.546 -3.382 1.00 0.00 H new ATOM 1008 N TRP A 67 -2.610 -14.204 -0.340 1.00 0.00 N ATOM 1009 CA TRP A 67 -1.182 -14.058 -0.708 1.00 0.00 C ATOM 1010 C TRP A 67 -0.500 -15.355 -0.295 1.00 0.00 C ATOM 1011 O TRP A 67 -0.654 -15.798 0.813 1.00 0.00 O ATOM 1012 CB TRP A 67 -0.636 -12.855 0.059 1.00 0.00 C ATOM 1013 CG TRP A 67 -1.545 -11.730 -0.481 1.00 0.00 C ATOM 1014 CD1 TRP A 67 -2.830 -11.514 -0.018 1.00 0.00 C ATOM 1015 CD2 TRP A 67 -1.307 -10.756 -1.502 1.00 0.00 C ATOM 1016 NE1 TRP A 67 -3.315 -10.546 -0.702 1.00 0.00 N ATOM 1017 CE2 TRP A 67 -2.466 -10.012 -1.632 1.00 0.00 C ATOM 1018 CE3 TRP A 67 -0.263 -10.459 -2.295 1.00 0.00 C ATOM 1019 CZ2 TRP A 67 -2.498 -9.019 -2.569 1.00 0.00 C ATOM 1020 CZ3 TRP A 67 -0.298 -9.464 -3.227 1.00 0.00 C ATOM 1021 CH2 TRP A 67 -1.444 -8.719 -3.376 1.00 0.00 C ATOM 0 H TRP A 67 -2.783 -14.617 0.576 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.017 -13.888 -1.772 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.727 -12.977 1.138 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.417 -12.673 -0.154 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -3.329 -12.058 0.770 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -4.264 -10.199 -0.564 1.00 0.00 H new ATOM 0 HE3 TRP A 67 0.645 -11.035 -2.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -3.405 -8.443 -2.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 0.566 -9.263 -3.842 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -1.505 -7.926 -4.106 1.00 0.00 H new ATOM 1032 N THR A 68 0.200 -15.835 -1.335 1.00 0.00 N ATOM 1033 CA THR A 68 0.917 -17.063 -1.274 1.00 0.00 C ATOM 1034 C THR A 68 2.451 -16.983 -1.309 1.00 0.00 C ATOM 1035 O THR A 68 2.995 -17.938 -1.844 1.00 0.00 O ATOM 1036 CB THR A 68 0.449 -18.034 -2.358 1.00 0.00 C ATOM 1037 OG1 THR A 68 1.168 -18.005 -3.566 1.00 0.00 O ATOM 1038 CG2 THR A 68 -1.044 -17.916 -2.734 1.00 0.00 C ATOM 0 H THR A 68 0.268 -15.360 -2.235 1.00 0.00 H new ATOM 0 HA THR A 68 0.674 -17.424 -0.275 1.00 0.00 H new ATOM 0 HB THR A 68 0.642 -18.979 -1.850 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.459 -18.912 -3.795 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.282 -18.644 -3.510 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.657 -18.110 -1.854 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.248 -16.911 -3.104 1.00 0.00 H new ATOM 1046 N MET A 69 2.904 -15.887 -0.741 1.00 0.00 N ATOM 1047 CA MET A 69 4.278 -15.483 -0.579 1.00 0.00 C ATOM 1048 C MET A 69 5.191 -16.509 -1.228 1.00 0.00 C ATOM 1049 O MET A 69 5.407 -17.544 -0.616 1.00 0.00 O ATOM 1050 CB MET A 69 4.575 -15.435 0.948 1.00 0.00 C ATOM 1051 CG MET A 69 5.528 -14.277 1.262 1.00 0.00 C ATOM 1052 SD MET A 69 7.047 -14.798 2.032 1.00 0.00 S ATOM 1053 CE MET A 69 7.481 -16.132 0.913 1.00 0.00 C ATOM 0 H MET A 69 2.262 -15.198 -0.348 1.00 0.00 H new ATOM 0 HA MET A 69 4.448 -14.511 -1.043 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.645 -15.312 1.504 1.00 0.00 H new ATOM 0 HB3 MET A 69 5.017 -16.378 1.270 1.00 0.00 H new ATOM 0 HG2 MET A 69 5.761 -13.748 0.338 1.00 0.00 H new ATOM 0 HG3 MET A 69 5.022 -13.568 1.917 1.00 0.00 H new ATOM 0 HE1 MET A 69 8.538 -16.374 1.028 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.880 -17.011 1.145 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.289 -15.822 -0.114 1.00 0.00 H new ATOM 1063 N GLU A 70 5.640 -16.131 -2.423 1.00 0.00 N ATOM 1064 CA GLU A 70 6.510 -17.044 -3.150 1.00 0.00 C ATOM 1065 C GLU A 70 7.926 -16.561 -3.193 1.00 0.00 C ATOM 1066 O GLU A 70 8.248 -15.773 -4.070 1.00 0.00 O ATOM 1067 CB GLU A 70 5.922 -17.197 -4.575 1.00 0.00 C ATOM 1068 CG GLU A 70 4.437 -17.068 -4.741 1.00 0.00 C ATOM 1069 CD GLU A 70 3.815 -18.478 -4.764 1.00 0.00 C ATOM 1070 OE1 GLU A 70 4.357 -19.390 -4.110 1.00 0.00 O ATOM 1071 OE2 GLU A 70 2.793 -18.618 -5.448 1.00 0.00 O ATOM 0 H GLU A 70 5.429 -15.247 -2.887 1.00 0.00 H new ATOM 0 HA GLU A 70 6.545 -18.007 -2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.395 -16.451 -5.214 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.217 -18.175 -4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.015 -16.483 -3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.205 -16.538 -5.665 1.00 0.00 H new ATOM 1078 N GLY A 71 8.675 -17.105 -2.206 1.00 0.00 N ATOM 1079 CA GLY A 71 10.061 -16.716 -2.151 1.00 0.00 C ATOM 1080 C GLY A 71 10.146 -15.206 -1.872 1.00 0.00 C ATOM 1081 O GLY A 71 10.163 -14.789 -0.727 1.00 0.00 O ATOM 0 H GLY A 71 8.355 -17.764 -1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.578 -17.273 -1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.556 -16.954 -3.092 1.00 0.00 H new ATOM 1085 N ASN A 72 10.194 -14.528 -3.011 1.00 0.00 N ATOM 1086 CA ASN A 72 10.276 -13.078 -3.014 1.00 0.00 C ATOM 1087 C ASN A 72 9.329 -12.524 -4.069 1.00 0.00 C ATOM 1088 O ASN A 72 9.786 -11.656 -4.803 1.00 0.00 O ATOM 1089 CB ASN A 72 11.731 -12.697 -3.294 1.00 0.00 C ATOM 1090 CG ASN A 72 12.462 -13.887 -3.901 1.00 0.00 C ATOM 1091 OD1 ASN A 72 12.089 -14.307 -4.997 1.00 0.00 O ATOM 1092 ND2 ASN A 72 13.449 -14.353 -3.151 1.00 0.00 N ATOM 0 H ASN A 72 10.178 -14.957 -3.936 1.00 0.00 H new ATOM 0 HA ASN A 72 9.977 -12.655 -2.055 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.770 -11.847 -3.975 1.00 0.00 H new ATOM 0 HB3 ASN A 72 12.221 -12.389 -2.371 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.998 -15.152 -3.469 1.00 0.00 H new ATOM 0 HD22 ASN A 72 13.660 -13.913 -2.255 1.00 0.00 H new ATOM 1099 N LYS A 73 8.093 -13.060 -4.062 1.00 0.00 N ATOM 1100 CA LYS A 73 7.114 -12.594 -5.033 1.00 0.00 C ATOM 1101 C LYS A 73 5.809 -12.217 -4.346 1.00 0.00 C ATOM 1102 O LYS A 73 5.695 -12.673 -3.195 1.00 0.00 O ATOM 1103 CB LYS A 73 7.000 -13.594 -6.180 1.00 0.00 C ATOM 1104 CG LYS A 73 8.191 -13.730 -7.115 1.00 0.00 C ATOM 1105 CD LYS A 73 7.805 -14.271 -8.496 1.00 0.00 C ATOM 1106 CE LYS A 73 8.128 -13.219 -9.574 1.00 0.00 C ATOM 1107 NZ LYS A 73 8.250 -13.778 -10.914 1.00 0.00 N ATOM 0 H LYS A 73 7.768 -13.784 -3.421 1.00 0.00 H new ATOM 0 HA LYS A 73 7.445 -11.666 -5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.795 -14.575 -5.751 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.132 -13.321 -6.779 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.668 -12.757 -7.232 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.928 -14.394 -6.663 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.348 -15.194 -8.700 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.743 -14.514 -8.518 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.346 -12.460 -9.575 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.059 -12.716 -9.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.468 -13.017 -11.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.015 -14.482 -10.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.355 -14.234 -11.183 1.00 0.00 H new ATOM 1121 N LEU A 74 4.930 -11.461 -5.005 1.00 0.00 N ATOM 1122 CA LEU A 74 3.715 -11.142 -4.289 1.00 0.00 C ATOM 1123 C LEU A 74 2.500 -11.155 -5.191 1.00 0.00 C ATOM 1124 O LEU A 74 1.884 -10.146 -5.484 1.00 0.00 O ATOM 1125 CB LEU A 74 3.892 -9.807 -3.540 1.00 0.00 C ATOM 1126 CG LEU A 74 4.299 -10.096 -2.074 1.00 0.00 C ATOM 1127 CD1 LEU A 74 4.574 -8.861 -1.228 1.00 0.00 C ATOM 1128 CD2 LEU A 74 3.296 -10.947 -1.300 1.00 0.00 C ATOM 0 H LEU A 74 5.026 -11.090 -5.950 1.00 0.00 H new ATOM 0 HA LEU A 74 3.529 -11.921 -3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.654 -9.200 -4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.964 -9.235 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 74 5.227 -10.649 -2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.851 -9.166 -0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.390 -8.290 -1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.678 -8.241 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.658 -11.102 -0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.333 -10.437 -1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.179 -11.911 -1.794 1.00 0.00 H new ATOM 1140 N VAL A 75 2.309 -12.455 -5.549 1.00 0.00 N ATOM 1141 CA VAL A 75 1.215 -12.818 -6.417 1.00 0.00 C ATOM 1142 C VAL A 75 -0.022 -13.205 -5.607 1.00 0.00 C ATOM 1143 O VAL A 75 -0.346 -14.336 -5.331 1.00 0.00 O ATOM 1144 CB VAL A 75 1.741 -13.911 -7.338 1.00 0.00 C ATOM 1145 CG1 VAL A 75 0.826 -14.259 -8.501 1.00 0.00 C ATOM 1146 CG2 VAL A 75 2.963 -13.376 -8.126 1.00 0.00 C ATOM 0 H VAL A 75 2.896 -13.232 -5.246 1.00 0.00 H new ATOM 0 HA VAL A 75 0.873 -11.983 -7.029 1.00 0.00 H new ATOM 0 HB VAL A 75 1.901 -14.752 -6.663 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.283 -15.046 -9.101 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.134 -14.606 -8.118 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.671 -13.375 -9.119 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.341 -14.157 -8.786 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.663 -12.513 -8.720 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.746 -13.081 -7.427 1.00 0.00 H new ATOM 1156 N GLY A 76 -0.647 -12.075 -5.288 1.00 0.00 N ATOM 1157 CA GLY A 76 -1.881 -12.138 -4.504 1.00 0.00 C ATOM 1158 C GLY A 76 -2.655 -10.877 -4.983 1.00 0.00 C ATOM 1159 O GLY A 76 -2.095 -10.244 -5.858 1.00 0.00 O ATOM 0 H GLY A 76 -0.337 -11.138 -5.547 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.439 -13.054 -4.700 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.682 -12.108 -3.433 1.00 0.00 H new ATOM 1163 N LYS A 77 -3.823 -10.709 -4.341 1.00 0.00 N ATOM 1164 CA LYS A 77 -4.558 -9.548 -4.776 1.00 0.00 C ATOM 1165 C LYS A 77 -5.496 -9.040 -3.712 1.00 0.00 C ATOM 1166 O LYS A 77 -5.721 -9.708 -2.736 1.00 0.00 O ATOM 1167 CB LYS A 77 -5.400 -10.147 -5.944 1.00 0.00 C ATOM 1168 CG LYS A 77 -6.749 -9.504 -6.063 1.00 0.00 C ATOM 1169 CD LYS A 77 -7.672 -10.197 -7.065 1.00 0.00 C ATOM 1170 CE LYS A 77 -7.681 -11.737 -6.971 1.00 0.00 C ATOM 1171 NZ LYS A 77 -9.024 -12.292 -7.178 1.00 0.00 N ATOM 0 H LYS A 77 -4.229 -11.291 -3.609 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.914 -8.707 -5.032 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.857 -10.023 -6.881 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.524 -11.219 -5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.228 -9.500 -5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.621 -8.463 -6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.688 -9.831 -6.917 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.374 -9.909 -8.073 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.999 -12.150 -7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.309 -12.043 -5.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.986 -13.329 -7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.669 -11.919 -6.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.370 -12.022 -8.121 1.00 0.00 H new ATOM 1185 N PHE A 78 -6.007 -7.833 -3.998 1.00 0.00 N ATOM 1186 CA PHE A 78 -6.971 -7.199 -3.118 1.00 0.00 C ATOM 1187 C PHE A 78 -7.861 -6.381 -4.067 1.00 0.00 C ATOM 1188 O PHE A 78 -7.677 -6.100 -5.209 1.00 0.00 O ATOM 1189 CB PHE A 78 -6.324 -6.323 -2.084 1.00 0.00 C ATOM 1190 CG PHE A 78 -5.120 -6.777 -1.341 1.00 0.00 C ATOM 1191 CD1 PHE A 78 -5.394 -7.729 -0.342 1.00 0.00 C ATOM 1192 CD2 PHE A 78 -3.810 -6.444 -1.457 1.00 0.00 C ATOM 1193 CE1 PHE A 78 -4.385 -8.244 0.401 1.00 0.00 C ATOM 1194 CE2 PHE A 78 -2.867 -7.030 -0.657 1.00 0.00 C ATOM 1195 CZ PHE A 78 -3.094 -7.853 0.182 1.00 0.00 C ATOM 0 H PHE A 78 -5.765 -7.289 -4.826 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.530 -7.934 -2.538 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.061 -5.388 -2.578 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.087 -6.088 -1.342 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.410 -8.050 -0.167 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.508 -5.709 -2.188 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.602 -8.969 1.172 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.839 -6.727 -0.793 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.288 -8.282 0.759 1.00 0.00 H new ATOM 1205 N LYS A 79 -8.936 -6.028 -3.305 1.00 0.00 N ATOM 1206 CA LYS A 79 -9.948 -5.233 -3.900 1.00 0.00 C ATOM 1207 C LYS A 79 -11.062 -4.710 -3.007 1.00 0.00 C ATOM 1208 O LYS A 79 -11.620 -5.475 -2.262 1.00 0.00 O ATOM 1209 CB LYS A 79 -10.618 -6.153 -4.975 1.00 0.00 C ATOM 1210 CG LYS A 79 -11.777 -5.477 -5.637 1.00 0.00 C ATOM 1211 CD LYS A 79 -11.875 -5.462 -7.164 1.00 0.00 C ATOM 1212 CE LYS A 79 -11.528 -6.823 -7.795 1.00 0.00 C ATOM 1213 NZ LYS A 79 -12.013 -6.908 -9.166 1.00 0.00 N ATOM 0 H LYS A 79 -9.085 -6.286 -2.329 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.448 -4.333 -4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.880 -6.430 -5.728 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.956 -7.076 -4.504 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -12.686 -5.943 -5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.785 -4.440 -5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.886 -5.178 -7.456 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.203 -4.701 -7.560 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.448 -6.969 -7.779 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.967 -7.625 -7.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.721 -7.667 -9.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.447 -6.003 -9.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.218 -7.115 -9.803 1.00 0.00 H new ATOM 1227 N ARG A 80 -11.338 -3.402 -3.166 1.00 0.00 N ATOM 1228 CA ARG A 80 -12.396 -2.863 -2.364 1.00 0.00 C ATOM 1229 C ARG A 80 -13.748 -2.697 -3.116 1.00 0.00 C ATOM 1230 O ARG A 80 -14.454 -1.720 -2.887 1.00 0.00 O ATOM 1231 CB ARG A 80 -11.963 -1.585 -1.630 1.00 0.00 C ATOM 1232 CG ARG A 80 -10.830 -0.911 -2.385 1.00 0.00 C ATOM 1233 CD ARG A 80 -10.243 0.305 -1.634 1.00 0.00 C ATOM 1234 NE ARG A 80 -11.210 0.970 -0.810 1.00 0.00 N ATOM 1235 CZ ARG A 80 -10.994 2.219 -0.365 1.00 0.00 C ATOM 1236 NH1 ARG A 80 -9.898 2.886 -0.665 1.00 0.00 N ATOM 1237 NH2 ARG A 80 -11.978 2.704 0.393 1.00 0.00 N ATOM 0 H ARG A 80 -10.869 -2.756 -3.801 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.599 -3.618 -1.605 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.808 -0.903 -1.541 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -11.642 -1.828 -0.617 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -10.037 -1.638 -2.564 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -11.193 -0.588 -3.361 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -9.410 -0.025 -1.014 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -9.841 1.014 -2.358 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.073 0.488 -0.558 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -9.183 2.455 -1.251 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -9.764 3.833 -0.311 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -12.801 2.134 0.587 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -11.908 3.645 0.779 1.00 0.00 H new ATOM 1251 N VAL A 81 -13.909 -3.737 -3.935 1.00 0.00 N ATOM 1252 CA VAL A 81 -15.034 -3.962 -4.806 1.00 0.00 C ATOM 1253 C VAL A 81 -16.036 -2.808 -4.881 1.00 0.00 C ATOM 1254 O VAL A 81 -16.125 -2.208 -5.928 1.00 0.00 O ATOM 1255 CB VAL A 81 -15.704 -5.256 -4.341 1.00 0.00 C ATOM 1256 CG1 VAL A 81 -15.343 -5.576 -2.869 1.00 0.00 C ATOM 1257 CG2 VAL A 81 -17.236 -5.297 -4.297 1.00 0.00 C ATOM 0 H VAL A 81 -13.212 -4.479 -4.003 1.00 0.00 H new ATOM 0 HA VAL A 81 -14.663 -4.039 -5.828 1.00 0.00 H new ATOM 0 HB VAL A 81 -15.335 -5.945 -5.100 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -15.834 -6.501 -2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -14.263 -5.691 -2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -15.678 -4.761 -2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -17.564 -6.276 -3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -17.601 -4.528 -3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -17.634 -5.115 -5.295 1.00 0.00 H new ATOM 1267 N ASP A 82 -16.677 -2.632 -3.739 1.00 0.00 N ATOM 1268 CA ASP A 82 -17.670 -1.598 -3.576 1.00 0.00 C ATOM 1269 C ASP A 82 -17.249 -0.287 -4.199 1.00 0.00 C ATOM 1270 O ASP A 82 -18.158 0.465 -4.547 1.00 0.00 O ATOM 1271 CB ASP A 82 -17.914 -1.421 -2.048 1.00 0.00 C ATOM 1272 CG ASP A 82 -19.332 -1.040 -1.723 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -20.208 -0.857 -2.550 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -19.615 -0.912 -0.537 1.00 0.00 O ATOM 0 H ASP A 82 -16.522 -3.201 -2.906 1.00 0.00 H new ATOM 0 HA ASP A 82 -18.584 -1.896 -4.090 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.666 -2.350 -1.535 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -17.240 -0.655 -1.664 1.00 0.00 H new ATOM 1279 N ASN A 83 -15.930 -0.029 -4.329 1.00 0.00 N ATOM 1280 CA ASN A 83 -15.644 1.229 -4.927 1.00 0.00 C ATOM 1281 C ASN A 83 -14.183 1.571 -5.199 1.00 0.00 C ATOM 1282 O ASN A 83 -14.013 2.507 -5.982 1.00 0.00 O ATOM 1283 CB ASN A 83 -16.069 2.308 -3.883 1.00 0.00 C ATOM 1284 CG ASN A 83 -15.003 2.299 -2.781 1.00 0.00 C ATOM 1285 OD1 ASN A 83 -14.851 1.331 -2.056 1.00 0.00 O ATOM 1286 ND2 ASN A 83 -14.297 3.442 -2.718 1.00 0.00 N ATOM 0 H ASN A 83 -15.145 -0.620 -4.054 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.156 1.196 -5.889 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -16.136 3.291 -4.348 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -17.053 2.082 -3.472 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -13.562 3.550 -2.019 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -14.496 4.201 -3.370 1.00 0.00 H new ATOM 1293 N GLY A 84 -13.280 0.841 -4.567 1.00 0.00 N ATOM 1294 CA GLY A 84 -11.907 1.249 -4.863 1.00 0.00 C ATOM 1295 C GLY A 84 -11.445 0.261 -5.962 1.00 0.00 C ATOM 1296 O GLY A 84 -10.658 0.682 -6.801 1.00 0.00 O ATOM 0 H GLY A 84 -13.430 0.062 -3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.865 2.281 -5.212 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.273 1.185 -3.978 1.00 0.00 H new ATOM 1300 N LYS A 85 -12.012 -0.941 -5.797 1.00 0.00 N ATOM 1301 CA LYS A 85 -11.696 -1.983 -6.740 1.00 0.00 C ATOM 1302 C LYS A 85 -10.330 -2.565 -6.548 1.00 0.00 C ATOM 1303 O LYS A 85 -9.892 -2.395 -5.390 1.00 0.00 O ATOM 1304 CB LYS A 85 -11.814 -1.375 -8.142 1.00 0.00 C ATOM 1305 CG LYS A 85 -12.380 -2.495 -9.035 1.00 0.00 C ATOM 1306 CD LYS A 85 -13.584 -1.910 -9.745 1.00 0.00 C ATOM 1307 CE LYS A 85 -13.265 -0.701 -10.622 1.00 0.00 C ATOM 1308 NZ LYS A 85 -13.899 -0.816 -11.948 1.00 0.00 N ATOM 0 H LYS A 85 -12.660 -1.195 -5.052 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.392 -2.809 -6.591 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.473 -0.507 -8.138 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.843 -1.037 -8.505 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.633 -2.834 -9.753 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.665 -3.361 -8.438 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -14.039 -2.684 -10.363 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -14.326 -1.620 -9.001 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.610 0.208 -10.130 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.185 -0.610 -10.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.663 0.020 -12.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -13.551 -1.671 -12.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -14.931 -0.878 -11.835 1.00 0.00 H new ATOM 1322 N GLU A 86 -9.767 -3.179 -7.584 1.00 0.00 N ATOM 1323 CA GLU A 86 -8.471 -3.756 -7.284 1.00 0.00 C ATOM 1324 C GLU A 86 -7.390 -2.734 -6.857 1.00 0.00 C ATOM 1325 O GLU A 86 -7.316 -1.752 -7.539 1.00 0.00 O ATOM 1326 CB GLU A 86 -7.985 -4.807 -8.274 1.00 0.00 C ATOM 1327 CG GLU A 86 -8.974 -5.229 -9.377 1.00 0.00 C ATOM 1328 CD GLU A 86 -8.541 -6.510 -10.091 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -7.593 -6.589 -10.859 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -9.208 -7.520 -9.854 1.00 0.00 O ATOM 0 H GLU A 86 -10.135 -3.283 -8.530 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.664 -4.331 -6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.081 -4.431 -8.753 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.701 -5.697 -7.713 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.961 -5.377 -8.939 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.066 -4.424 -10.106 1.00 0.00 H new ATOM 1337 N LEU A 87 -6.765 -3.204 -5.772 1.00 0.00 N ATOM 1338 CA LEU A 87 -5.686 -2.495 -5.089 1.00 0.00 C ATOM 1339 C LEU A 87 -4.580 -3.470 -4.734 1.00 0.00 C ATOM 1340 O LEU A 87 -3.948 -3.427 -3.706 1.00 0.00 O ATOM 1341 CB LEU A 87 -6.139 -1.577 -3.955 1.00 0.00 C ATOM 1342 CG LEU A 87 -6.878 -0.326 -4.512 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -8.132 -0.035 -3.689 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -6.049 0.949 -4.523 1.00 0.00 C ATOM 0 H LEU A 87 -7.000 -4.098 -5.341 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.266 -1.771 -5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.799 -2.124 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.275 -1.263 -3.369 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.109 -0.587 -5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.636 0.843 -4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.804 -0.892 -3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.852 0.152 -2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.645 1.767 -4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.742 1.192 -3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.165 0.803 -5.144 1.00 0.00 H new ATOM 1356 N ILE A 88 -4.466 -4.327 -5.752 1.00 0.00 N ATOM 1357 CA ILE A 88 -3.469 -5.384 -5.714 1.00 0.00 C ATOM 1358 C ILE A 88 -2.127 -4.585 -5.647 1.00 0.00 C ATOM 1359 O ILE A 88 -2.205 -3.433 -5.961 1.00 0.00 O ATOM 1360 CB ILE A 88 -3.538 -6.135 -7.029 1.00 0.00 C ATOM 1361 CG1 ILE A 88 -4.863 -6.865 -7.242 1.00 0.00 C ATOM 1362 CG2 ILE A 88 -2.450 -7.188 -7.209 1.00 0.00 C ATOM 1363 CD1 ILE A 88 -5.114 -7.364 -8.684 1.00 0.00 C ATOM 0 H ILE A 88 -5.042 -4.307 -6.594 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.591 -6.096 -4.898 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.409 -5.333 -7.756 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.901 -7.720 -6.567 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.677 -6.198 -6.958 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.573 -7.677 -8.175 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.471 -6.711 -7.166 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.527 -7.930 -6.414 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.079 -7.868 -8.732 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.114 -6.515 -9.368 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.326 -8.061 -8.970 1.00 0.00 H new ATOM 1375 N ALA A 89 -1.135 -5.378 -5.253 1.00 0.00 N ATOM 1376 CA ALA A 89 0.241 -4.964 -5.089 1.00 0.00 C ATOM 1377 C ALA A 89 1.076 -6.134 -5.576 1.00 0.00 C ATOM 1378 O ALA A 89 1.760 -6.807 -4.837 1.00 0.00 O ATOM 1379 CB ALA A 89 0.581 -4.546 -3.642 1.00 0.00 C ATOM 0 H ALA A 89 -1.281 -6.363 -5.033 1.00 0.00 H new ATOM 0 HA ALA A 89 0.449 -4.062 -5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.628 -4.247 -3.586 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.052 -3.709 -3.347 1.00 0.00 H new ATOM 0 HB3 ALA A 89 0.408 -5.387 -2.970 1.00 0.00 H new ATOM 1385 N VAL A 90 0.956 -6.315 -6.891 1.00 0.00 N ATOM 1386 CA VAL A 90 1.697 -7.387 -7.446 1.00 0.00 C ATOM 1387 C VAL A 90 3.210 -7.058 -7.348 1.00 0.00 C ATOM 1388 O VAL A 90 3.539 -5.923 -7.753 1.00 0.00 O ATOM 1389 CB VAL A 90 1.487 -7.525 -8.955 1.00 0.00 C ATOM 1390 CG1 VAL A 90 2.712 -8.277 -9.537 1.00 0.00 C ATOM 1391 CG2 VAL A 90 0.350 -8.388 -9.441 1.00 0.00 C ATOM 0 H VAL A 90 0.388 -5.763 -7.534 1.00 0.00 H new ATOM 0 HA VAL A 90 1.378 -8.279 -6.907 1.00 0.00 H new ATOM 0 HB VAL A 90 1.303 -6.496 -9.262 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.591 -8.391 -10.614 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.619 -7.708 -9.332 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.788 -9.261 -9.074 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.332 -8.386 -10.531 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.488 -9.408 -9.083 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.593 -7.995 -9.061 1.00 0.00 H new ATOM 1401 N ARG A 91 4.008 -8.018 -6.846 1.00 0.00 N ATOM 1402 CA ARG A 91 5.375 -7.583 -6.818 1.00 0.00 C ATOM 1403 C ARG A 91 6.345 -8.735 -6.917 1.00 0.00 C ATOM 1404 O ARG A 91 5.933 -9.769 -7.403 1.00 0.00 O ATOM 1405 CB ARG A 91 5.770 -6.666 -5.658 1.00 0.00 C ATOM 1406 CG ARG A 91 6.684 -5.517 -6.073 1.00 0.00 C ATOM 1407 CD ARG A 91 7.570 -5.685 -7.325 1.00 0.00 C ATOM 1408 NE ARG A 91 7.329 -4.606 -8.276 1.00 0.00 N ATOM 1409 CZ ARG A 91 8.272 -4.294 -9.159 1.00 0.00 C ATOM 1410 NH1 ARG A 91 9.452 -4.900 -9.248 1.00 0.00 N ATOM 1411 NH2 ARG A 91 8.058 -3.313 -10.034 1.00 0.00 N ATOM 0 H ARG A 91 3.769 -8.950 -6.508 1.00 0.00 H new ATOM 0 HA ARG A 91 5.444 -6.962 -7.711 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.867 -6.256 -5.206 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.270 -7.258 -4.891 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.059 -4.638 -6.227 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.341 -5.298 -5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.621 -5.693 -7.035 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.363 -6.645 -7.797 1.00 0.00 H new ATOM 0 HE ARG A 91 6.446 -4.096 -8.264 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.684 -5.662 -8.610 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.126 -4.603 -9.954 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.174 -2.805 -10.024 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.779 -3.070 -10.714 1.00 0.00 H new ATOM 1425 N GLU A 92 7.559 -8.418 -6.435 1.00 0.00 N ATOM 1426 CA GLU A 92 8.664 -9.364 -6.455 1.00 0.00 C ATOM 1427 C GLU A 92 9.936 -8.516 -6.148 1.00 0.00 C ATOM 1428 O GLU A 92 10.619 -8.201 -7.111 1.00 0.00 O ATOM 1429 CB GLU A 92 8.746 -9.922 -7.849 1.00 0.00 C ATOM 1430 CG GLU A 92 8.195 -9.055 -9.026 1.00 0.00 C ATOM 1431 CD GLU A 92 9.098 -9.263 -10.249 1.00 0.00 C ATOM 1432 OE1 GLU A 92 10.315 -9.135 -10.119 1.00 0.00 O ATOM 1433 OE2 GLU A 92 8.546 -9.545 -11.303 1.00 0.00 O ATOM 0 H GLU A 92 7.790 -7.511 -6.029 1.00 0.00 H new ATOM 0 HA GLU A 92 8.554 -10.182 -5.743 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.793 -10.141 -8.059 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.213 -10.873 -7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.169 -9.341 -9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.176 -8.002 -8.744 1.00 0.00 H new ATOM 1440 N ILE A 93 10.048 -8.266 -4.863 1.00 0.00 N ATOM 1441 CA ILE A 93 11.153 -7.475 -4.314 1.00 0.00 C ATOM 1442 C ILE A 93 12.401 -7.471 -5.190 1.00 0.00 C ATOM 1443 O ILE A 93 13.250 -8.346 -5.074 1.00 0.00 O ATOM 1444 CB ILE A 93 11.426 -7.761 -2.833 1.00 0.00 C ATOM 1445 CG1 ILE A 93 12.841 -7.240 -2.532 1.00 0.00 C ATOM 1446 CG2 ILE A 93 11.460 -9.248 -2.493 1.00 0.00 C ATOM 1447 CD1 ILE A 93 12.919 -6.587 -1.141 1.00 0.00 C ATOM 0 H ILE A 93 9.385 -8.598 -4.163 1.00 0.00 H new ATOM 0 HA ILE A 93 10.807 -6.442 -4.338 1.00 0.00 H new ATOM 0 HB ILE A 93 10.626 -7.291 -2.260 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.553 -8.064 -2.588 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.132 -6.515 -3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 93 11.658 -9.373 -1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.499 -9.700 -2.739 1.00 0.00 H new ATOM 0 HG23 ILE A 93 12.248 -9.735 -3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 93 13.934 -6.231 -0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 93 12.226 -5.747 -1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.653 -7.320 -0.379 1.00 0.00 H new ATOM 1459 N SER A 94 12.369 -6.427 -6.028 1.00 0.00 N ATOM 1460 CA SER A 94 13.450 -6.230 -6.954 1.00 0.00 C ATOM 1461 C SER A 94 14.845 -6.199 -6.363 1.00 0.00 C ATOM 1462 O SER A 94 15.552 -7.211 -6.321 1.00 0.00 O ATOM 1463 CB SER A 94 13.150 -4.936 -7.743 1.00 0.00 C ATOM 1464 OG SER A 94 12.587 -3.944 -6.948 1.00 0.00 O ATOM 0 H SER A 94 11.622 -5.734 -6.072 1.00 0.00 H new ATOM 0 HA SER A 94 13.482 -7.111 -7.594 1.00 0.00 H new ATOM 0 HB2 SER A 94 14.073 -4.562 -8.185 1.00 0.00 H new ATOM 0 HB3 SER A 94 12.473 -5.165 -8.566 1.00 0.00 H new ATOM 0 HG SER A 94 12.565 -3.100 -7.445 1.00 0.00 H new ATOM 1470 N GLY A 95 15.233 -5.016 -5.910 1.00 0.00 N ATOM 1471 CA GLY A 95 16.567 -4.968 -5.343 1.00 0.00 C ATOM 1472 C GLY A 95 16.429 -5.401 -3.852 1.00 0.00 C ATOM 1473 O GLY A 95 16.126 -6.508 -3.461 1.00 0.00 O ATOM 0 H GLY A 95 14.697 -4.148 -5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 95 17.241 -5.635 -5.880 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.985 -3.964 -5.419 1.00 0.00 H new ATOM 1477 N ASN A 96 16.712 -4.306 -3.093 1.00 0.00 N ATOM 1478 CA ASN A 96 16.665 -4.431 -1.660 1.00 0.00 C ATOM 1479 C ASN A 96 15.567 -3.497 -1.106 1.00 0.00 C ATOM 1480 O ASN A 96 15.784 -2.782 -0.132 1.00 0.00 O ATOM 1481 CB ASN A 96 18.033 -3.966 -1.170 1.00 0.00 C ATOM 1482 CG ASN A 96 18.315 -4.504 0.239 1.00 0.00 C ATOM 1483 OD1 ASN A 96 17.397 -4.627 1.024 1.00 0.00 O ATOM 1484 ND2 ASN A 96 19.635 -4.758 0.340 1.00 0.00 N ATOM 0 H ASN A 96 16.960 -3.384 -3.452 1.00 0.00 H new ATOM 0 HA ASN A 96 16.442 -5.448 -1.338 1.00 0.00 H new ATOM 0 HB2 ASN A 96 18.807 -4.308 -1.857 1.00 0.00 H new ATOM 0 HB3 ASN A 96 18.072 -2.877 -1.163 1.00 0.00 H new ATOM 0 HD21 ASN A 96 20.018 -5.126 1.210 1.00 0.00 H new ATOM 0 HD22 ASN A 96 20.250 -4.582 -0.454 1.00 0.00 H new ATOM 1491 N GLU A 97 14.452 -3.610 -1.808 1.00 0.00 N ATOM 1492 CA GLU A 97 13.256 -2.874 -1.532 1.00 0.00 C ATOM 1493 C GLU A 97 12.143 -3.450 -2.467 1.00 0.00 C ATOM 1494 O GLU A 97 12.448 -3.944 -3.520 1.00 0.00 O ATOM 1495 CB GLU A 97 13.339 -1.365 -1.589 1.00 0.00 C ATOM 1496 CG GLU A 97 14.541 -0.864 -2.403 1.00 0.00 C ATOM 1497 CD GLU A 97 14.502 -1.516 -3.763 1.00 0.00 C ATOM 1498 OE1 GLU A 97 13.522 -1.294 -4.484 1.00 0.00 O ATOM 1499 OE2 GLU A 97 15.417 -2.242 -4.130 1.00 0.00 O ATOM 0 H GLU A 97 14.364 -4.238 -2.607 1.00 0.00 H new ATOM 0 HA GLU A 97 13.028 -3.021 -0.476 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.421 -0.972 -2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 97 13.404 -0.971 -0.575 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.506 0.221 -2.502 1.00 0.00 H new ATOM 0 HG3 GLU A 97 15.473 -1.108 -1.892 1.00 0.00 H new ATOM 1506 N LEU A 98 10.968 -3.262 -1.873 1.00 0.00 N ATOM 1507 CA LEU A 98 9.704 -3.659 -2.446 1.00 0.00 C ATOM 1508 C LEU A 98 8.989 -2.380 -2.978 1.00 0.00 C ATOM 1509 O LEU A 98 8.530 -1.611 -2.173 1.00 0.00 O ATOM 1510 CB LEU A 98 8.888 -4.348 -1.351 1.00 0.00 C ATOM 1511 CG LEU A 98 8.130 -5.582 -1.876 1.00 0.00 C ATOM 1512 CD1 LEU A 98 7.353 -6.309 -0.799 1.00 0.00 C ATOM 1513 CD2 LEU A 98 7.013 -4.977 -2.758 1.00 0.00 C ATOM 0 H LEU A 98 10.876 -2.818 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 98 9.829 -4.353 -3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.552 -4.650 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.175 -3.638 -0.931 1.00 0.00 H new ATOM 0 HG LEU A 98 8.843 -6.265 -2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.843 -7.168 -1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.039 -6.650 -0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.618 -5.633 -0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.410 -5.780 -3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.380 -4.331 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.461 -4.394 -3.563 1.00 0.00 H new ATOM 1525 N ILE A 99 9.052 -2.418 -4.323 1.00 0.00 N ATOM 1526 CA ILE A 99 8.477 -1.371 -5.093 1.00 0.00 C ATOM 1527 C ILE A 99 7.001 -1.346 -4.615 1.00 0.00 C ATOM 1528 O ILE A 99 6.733 -0.519 -3.786 1.00 0.00 O ATOM 1529 CB ILE A 99 8.628 -1.765 -6.574 1.00 0.00 C ATOM 1530 CG1 ILE A 99 10.041 -1.306 -7.032 1.00 0.00 C ATOM 1531 CG2 ILE A 99 7.649 -0.971 -7.431 1.00 0.00 C ATOM 1532 CD1 ILE A 99 10.234 -0.920 -8.475 1.00 0.00 C ATOM 0 H ILE A 99 9.494 -3.162 -4.864 1.00 0.00 H new ATOM 0 HA ILE A 99 8.930 -0.386 -4.980 1.00 0.00 H new ATOM 0 HB ILE A 99 8.460 -2.837 -6.679 1.00 0.00 H new ATOM 0 HG12 ILE A 99 10.328 -0.452 -6.418 1.00 0.00 H new ATOM 0 HG13 ILE A 99 10.741 -2.110 -6.807 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.765 -1.258 -8.476 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.629 -1.181 -7.108 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.852 0.094 -7.323 1.00 0.00 H new ATOM 0 HD11 ILE A 99 11.270 -0.624 -8.637 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.995 -1.770 -9.114 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.576 -0.086 -8.720 1.00 0.00 H new ATOM 1544 N GLN A 100 6.228 -2.257 -5.203 1.00 0.00 N ATOM 1545 CA GLN A 100 4.816 -2.436 -4.937 1.00 0.00 C ATOM 1546 C GLN A 100 4.136 -1.693 -6.113 1.00 0.00 C ATOM 1547 O GLN A 100 3.963 -0.497 -6.124 1.00 0.00 O ATOM 1548 CB GLN A 100 4.318 -1.891 -3.608 1.00 0.00 C ATOM 1549 CG GLN A 100 5.062 -2.252 -2.319 1.00 0.00 C ATOM 1550 CD GLN A 100 4.269 -3.313 -1.550 1.00 0.00 C ATOM 1551 OE1 GLN A 100 3.257 -3.886 -1.938 1.00 0.00 O ATOM 1552 NE2 GLN A 100 4.834 -3.586 -0.335 1.00 0.00 N ATOM 0 H GLN A 100 6.587 -2.909 -5.900 1.00 0.00 H new ATOM 0 HA GLN A 100 4.586 -3.499 -4.861 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.306 -0.804 -3.685 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.284 -2.214 -3.490 1.00 0.00 H new ATOM 0 HG2 GLN A 100 6.058 -2.627 -2.555 1.00 0.00 H new ATOM 0 HG3 GLN A 100 5.194 -1.363 -1.702 1.00 0.00 H new ATOM 0 HE21 GLN A 100 5.676 -3.091 -0.042 1.00 0.00 H new ATOM 0 HE22 GLN A 100 4.413 -4.284 0.278 1.00 0.00 H new ATOM 1561 N THR A 101 3.817 -2.619 -7.009 1.00 0.00 N ATOM 1562 CA THR A 101 3.149 -2.388 -8.249 1.00 0.00 C ATOM 1563 C THR A 101 1.671 -2.747 -8.155 1.00 0.00 C ATOM 1564 O THR A 101 1.249 -3.856 -8.293 1.00 0.00 O ATOM 1565 CB THR A 101 3.694 -3.101 -9.489 1.00 0.00 C ATOM 1566 OG1 THR A 101 5.067 -2.936 -9.629 1.00 0.00 O ATOM 1567 CG2 THR A 101 2.953 -2.796 -10.803 1.00 0.00 C ATOM 0 H THR A 101 4.038 -3.604 -6.865 1.00 0.00 H new ATOM 0 HA THR A 101 3.329 -1.323 -8.397 1.00 0.00 H new ATOM 0 HB THR A 101 3.492 -4.154 -9.295 1.00 0.00 H new ATOM 0 HG1 THR A 101 5.349 -3.268 -10.507 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.417 -3.350 -11.619 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.909 -3.094 -10.709 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.008 -1.728 -11.012 1.00 0.00 H new ATOM 1575 N TYR A 102 1.029 -1.621 -7.885 1.00 0.00 N ATOM 1576 CA TYR A 102 -0.409 -1.861 -7.736 1.00 0.00 C ATOM 1577 C TYR A 102 -0.926 -2.273 -9.117 1.00 0.00 C ATOM 1578 O TYR A 102 -0.605 -1.582 -10.047 1.00 0.00 O ATOM 1579 CB TYR A 102 -1.177 -0.663 -7.208 1.00 0.00 C ATOM 1580 CG TYR A 102 -0.716 -0.159 -5.898 1.00 0.00 C ATOM 1581 CD1 TYR A 102 -0.953 -0.736 -4.666 1.00 0.00 C ATOM 1582 CD2 TYR A 102 0.046 1.017 -5.823 1.00 0.00 C ATOM 1583 CE1 TYR A 102 -0.470 -0.165 -3.505 1.00 0.00 C ATOM 1584 CE2 TYR A 102 0.494 1.531 -4.647 1.00 0.00 C ATOM 1585 CZ TYR A 102 0.265 0.995 -3.597 1.00 0.00 C ATOM 1586 OH TYR A 102 0.752 1.580 -2.459 1.00 0.00 O ATOM 0 H TYR A 102 1.395 -0.675 -7.777 1.00 0.00 H new ATOM 0 HA TYR A 102 -0.566 -2.640 -6.989 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.108 0.145 -7.937 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -2.230 -0.931 -7.128 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.526 -1.650 -4.609 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.287 1.536 -6.739 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.665 -0.619 -2.545 1.00 0.00 H new ATOM 0 HE2 TYR A 102 1.070 2.444 -4.657 1.00 0.00 H new ATOM 0 HH TYR A 102 1.250 2.390 -2.695 1.00 0.00 H new ATOM 1596 N THR A 103 -1.694 -3.400 -9.042 1.00 0.00 N ATOM 1597 CA THR A 103 -2.309 -3.992 -10.233 1.00 0.00 C ATOM 1598 C THR A 103 -3.809 -3.803 -10.099 1.00 0.00 C ATOM 1599 O THR A 103 -4.582 -4.644 -9.733 1.00 0.00 O ATOM 1600 CB THR A 103 -1.938 -5.451 -10.387 1.00 0.00 C ATOM 1601 OG1 THR A 103 -0.564 -5.712 -10.499 1.00 0.00 O ATOM 1602 CG2 THR A 103 -2.504 -6.158 -11.634 1.00 0.00 C ATOM 0 H THR A 103 -1.890 -3.899 -8.174 1.00 0.00 H new ATOM 0 HA THR A 103 -1.944 -3.501 -11.135 1.00 0.00 H new ATOM 0 HB THR A 103 -2.370 -5.827 -9.460 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.418 -6.414 -11.167 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.176 -7.197 -11.643 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.593 -6.122 -11.610 1.00 0.00 H new ATOM 0 HG23 THR A 103 -2.144 -5.656 -12.532 1.00 0.00 H new ATOM 1610 N TYR A 104 -4.119 -2.547 -10.461 1.00 0.00 N ATOM 1611 CA TYR A 104 -5.497 -2.056 -10.437 1.00 0.00 C ATOM 1612 C TYR A 104 -6.081 -2.055 -11.815 1.00 0.00 C ATOM 1613 O TYR A 104 -5.359 -1.981 -12.818 1.00 0.00 O ATOM 1614 CB TYR A 104 -5.382 -0.714 -9.707 1.00 0.00 C ATOM 1615 CG TYR A 104 -6.479 0.275 -9.876 1.00 0.00 C ATOM 1616 CD1 TYR A 104 -7.206 0.601 -10.990 1.00 0.00 C ATOM 1617 CD2 TYR A 104 -6.841 0.987 -8.736 1.00 0.00 C ATOM 1618 CE1 TYR A 104 -8.214 1.563 -10.966 1.00 0.00 C ATOM 1619 CE2 TYR A 104 -7.838 1.923 -8.792 1.00 0.00 C ATOM 1620 CZ TYR A 104 -8.460 2.191 -9.777 1.00 0.00 C ATOM 1621 OH TYR A 104 -9.441 3.149 -9.704 1.00 0.00 O ATOM 0 H TYR A 104 -3.433 -1.859 -10.772 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.218 -2.678 -9.907 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.283 -0.922 -8.642 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -4.454 -0.240 -10.027 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -6.991 0.095 -11.919 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.332 0.800 -7.802 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -8.780 1.803 -11.854 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.079 2.456 -7.884 1.00 0.00 H new ATOM 0 HH TYR A 104 -9.491 3.497 -8.789 1.00 0.00 H new ATOM 1631 N GLU A 105 -7.400 -2.144 -11.859 1.00 0.00 N ATOM 1632 CA GLU A 105 -8.189 -2.166 -13.050 1.00 0.00 C ATOM 1633 C GLU A 105 -7.681 -1.370 -14.239 1.00 0.00 C ATOM 1634 O GLU A 105 -7.944 -0.165 -14.332 1.00 0.00 O ATOM 1635 CB GLU A 105 -9.623 -1.699 -12.652 1.00 0.00 C ATOM 1636 CG GLU A 105 -10.466 -2.971 -12.435 1.00 0.00 C ATOM 1637 CD GLU A 105 -10.543 -3.880 -13.653 1.00 0.00 C ATOM 1638 OE1 GLU A 105 -10.858 -3.428 -14.758 1.00 0.00 O ATOM 1639 OE2 GLU A 105 -10.263 -5.077 -13.437 1.00 0.00 O ATOM 0 H GLU A 105 -7.966 -2.205 -11.013 1.00 0.00 H new ATOM 0 HA GLU A 105 -8.149 -3.189 -13.423 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.594 -1.096 -11.745 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -10.057 -1.077 -13.435 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.047 -3.534 -11.601 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -11.476 -2.680 -12.148 1.00 0.00 H new ATOM 1646 N GLY A 106 -6.951 -2.062 -15.150 1.00 0.00 N ATOM 1647 CA GLY A 106 -6.472 -1.300 -16.280 1.00 0.00 C ATOM 1648 C GLY A 106 -5.135 -0.624 -16.127 1.00 0.00 C ATOM 1649 O GLY A 106 -4.750 0.193 -16.974 1.00 0.00 O ATOM 0 H GLY A 106 -6.709 -3.052 -15.119 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -6.419 -1.966 -17.141 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.214 -0.536 -16.513 1.00 0.00 H new ATOM 1653 N VAL A 107 -4.368 -0.919 -15.061 1.00 0.00 N ATOM 1654 CA VAL A 107 -3.094 -0.283 -14.910 1.00 0.00 C ATOM 1655 C VAL A 107 -2.111 -1.032 -14.017 1.00 0.00 C ATOM 1656 O VAL A 107 -2.558 -2.011 -13.429 1.00 0.00 O ATOM 1657 CB VAL A 107 -3.378 1.096 -14.247 1.00 0.00 C ATOM 1658 CG1 VAL A 107 -3.656 2.147 -15.295 1.00 0.00 C ATOM 1659 CG2 VAL A 107 -4.570 1.033 -13.300 1.00 0.00 C ATOM 0 H VAL A 107 -4.619 -1.578 -14.323 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.630 -0.229 -15.895 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.486 1.359 -13.679 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.852 3.103 -14.809 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.791 2.244 -15.951 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.526 1.854 -15.882 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.735 2.015 -12.858 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.459 0.730 -13.853 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.370 0.309 -12.511 1.00 0.00 H new ATOM 1669 N GLU A 108 -0.879 -0.472 -14.018 1.00 0.00 N ATOM 1670 CA GLU A 108 0.170 -1.074 -13.206 1.00 0.00 C ATOM 1671 C GLU A 108 0.964 0.078 -12.568 1.00 0.00 C ATOM 1672 O GLU A 108 2.157 0.172 -12.782 1.00 0.00 O ATOM 1673 CB GLU A 108 1.026 -2.068 -13.956 1.00 0.00 C ATOM 1674 CG GLU A 108 0.492 -3.484 -13.693 1.00 0.00 C ATOM 1675 CD GLU A 108 -0.099 -4.150 -14.930 1.00 0.00 C ATOM 1676 OE1 GLU A 108 -0.610 -3.438 -15.788 1.00 0.00 O ATOM 1677 OE2 GLU A 108 -0.038 -5.364 -15.020 1.00 0.00 O ATOM 0 H GLU A 108 -0.607 0.356 -14.549 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.274 -1.691 -12.425 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.008 -1.851 -15.024 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.064 -1.991 -13.633 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.302 -4.104 -13.308 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.271 -3.438 -12.916 1.00 0.00 H new ATOM 1684 N ALA A 109 0.181 0.880 -11.816 1.00 0.00 N ATOM 1685 CA ALA A 109 0.853 1.974 -11.193 1.00 0.00 C ATOM 1686 C ALA A 109 1.579 1.521 -9.914 1.00 0.00 C ATOM 1687 O ALA A 109 0.905 1.017 -9.053 1.00 0.00 O ATOM 1688 CB ALA A 109 -0.255 2.894 -10.653 1.00 0.00 C ATOM 0 H ALA A 109 -0.821 0.787 -11.650 1.00 0.00 H new ATOM 0 HA ALA A 109 1.544 2.419 -11.909 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.195 3.756 -10.161 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -0.881 3.233 -11.478 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.866 2.346 -9.936 1.00 0.00 H new ATOM 1694 N LYS A 110 2.864 1.792 -10.023 1.00 0.00 N ATOM 1695 CA LYS A 110 3.723 1.443 -8.940 1.00 0.00 C ATOM 1696 C LYS A 110 4.073 2.695 -8.185 1.00 0.00 C ATOM 1697 O LYS A 110 3.636 3.797 -8.539 1.00 0.00 O ATOM 1698 CB LYS A 110 5.038 0.789 -9.459 1.00 0.00 C ATOM 1699 CG LYS A 110 4.785 0.270 -10.868 1.00 0.00 C ATOM 1700 CD LYS A 110 6.023 -0.455 -11.453 1.00 0.00 C ATOM 1701 CE LYS A 110 5.775 -1.087 -12.816 1.00 0.00 C ATOM 1702 NZ LYS A 110 7.004 -1.478 -13.541 1.00 0.00 N ATOM 0 H LYS A 110 3.312 2.237 -10.824 1.00 0.00 H new ATOM 0 HA LYS A 110 3.207 0.728 -8.298 1.00 0.00 H new ATOM 0 HB2 LYS A 110 5.850 1.517 -9.462 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.343 -0.026 -8.802 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.937 -0.415 -10.855 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.513 1.102 -11.517 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.844 0.257 -11.537 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.342 -1.230 -10.756 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.149 -1.969 -12.685 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.212 -0.385 -13.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.748 -1.899 -14.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.596 -0.638 -13.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.534 -2.173 -12.977 1.00 0.00 H new ATOM 1716 N ARG A 111 4.874 2.372 -7.160 1.00 0.00 N ATOM 1717 CA ARG A 111 5.322 3.491 -6.298 1.00 0.00 C ATOM 1718 C ARG A 111 6.581 2.821 -5.662 1.00 0.00 C ATOM 1719 O ARG A 111 6.472 1.677 -5.277 1.00 0.00 O ATOM 1720 CB ARG A 111 4.340 3.881 -5.232 1.00 0.00 C ATOM 1721 CG ARG A 111 4.742 5.215 -4.559 1.00 0.00 C ATOM 1722 CD ARG A 111 3.560 5.903 -3.879 1.00 0.00 C ATOM 1723 NE ARG A 111 3.776 7.324 -3.989 1.00 0.00 N ATOM 1724 CZ ARG A 111 3.229 8.074 -4.934 1.00 0.00 C ATOM 1725 NH1 ARG A 111 2.424 7.536 -5.860 1.00 0.00 N ATOM 1726 NH2 ARG A 111 3.458 9.376 -4.998 1.00 0.00 N ATOM 0 H ARG A 111 5.204 1.439 -6.915 1.00 0.00 H new ATOM 0 HA ARG A 111 5.474 4.425 -6.839 1.00 0.00 H new ATOM 0 HB2 ARG A 111 3.345 3.976 -5.668 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.284 3.094 -4.480 1.00 0.00 H new ATOM 0 HG2 ARG A 111 5.522 5.026 -3.822 1.00 0.00 H new ATOM 0 HG3 ARG A 111 5.166 5.883 -5.308 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.622 5.618 -4.356 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.490 5.604 -2.833 1.00 0.00 H new ATOM 0 HE ARG A 111 4.382 7.775 -3.304 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.225 6.536 -5.844 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.010 8.127 -6.581 1.00 0.00 H new ATOM 0 HH21 ARG A 111 4.066 9.821 -4.311 1.00 0.00 H new ATOM 0 HH22 ARG A 111 3.026 9.934 -5.734 1.00 0.00 H new ATOM 1740 N ILE A 112 7.619 3.686 -5.655 1.00 0.00 N ATOM 1741 CA ILE A 112 8.832 3.164 -5.092 1.00 0.00 C ATOM 1742 C ILE A 112 9.226 3.803 -3.763 1.00 0.00 C ATOM 1743 O ILE A 112 9.602 4.963 -3.738 1.00 0.00 O ATOM 1744 CB ILE A 112 10.009 3.159 -6.069 1.00 0.00 C ATOM 1745 CG1 ILE A 112 9.998 4.447 -6.892 1.00 0.00 C ATOM 1746 CG2 ILE A 112 10.048 2.044 -7.080 1.00 0.00 C ATOM 1747 CD1 ILE A 112 11.389 4.998 -7.227 1.00 0.00 C ATOM 0 H ILE A 112 7.630 4.646 -5.999 1.00 0.00 H new ATOM 0 HA ILE A 112 8.588 2.123 -4.878 1.00 0.00 H new ATOM 0 HB ILE A 112 10.871 3.038 -5.413 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.459 4.265 -7.822 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.441 5.208 -6.345 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.930 2.156 -7.711 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.091 1.085 -6.563 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.152 2.083 -7.699 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.287 5.912 -7.812 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.926 5.216 -6.304 1.00 0.00 H new ATOM 0 HD13 ILE A 112 11.944 4.258 -7.804 1.00 0.00 H new ATOM 1759 N PHE A 113 9.094 2.905 -2.803 1.00 0.00 N ATOM 1760 CA PHE A 113 9.429 3.191 -1.427 1.00 0.00 C ATOM 1761 C PHE A 113 10.713 2.330 -1.223 1.00 0.00 C ATOM 1762 O PHE A 113 11.432 2.305 -2.205 1.00 0.00 O ATOM 1763 CB PHE A 113 8.401 2.885 -0.382 1.00 0.00 C ATOM 1764 CG PHE A 113 7.089 3.596 -0.469 1.00 0.00 C ATOM 1765 CD1 PHE A 113 6.914 4.922 -0.067 1.00 0.00 C ATOM 1766 CD2 PHE A 113 5.948 2.981 -0.945 1.00 0.00 C ATOM 1767 CE1 PHE A 113 5.683 5.533 -0.154 1.00 0.00 C ATOM 1768 CE2 PHE A 113 4.743 3.673 -0.994 1.00 0.00 C ATOM 1769 CZ PHE A 113 4.610 4.807 -0.647 1.00 0.00 C ATOM 0 H PHE A 113 8.751 1.957 -2.960 1.00 0.00 H new ATOM 0 HA PHE A 113 9.536 4.267 -1.288 1.00 0.00 H new ATOM 0 HB2 PHE A 113 8.204 1.813 -0.409 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.838 3.105 0.592 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.757 5.477 0.318 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.992 1.956 -1.281 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.556 6.560 0.156 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.874 3.152 -1.369 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.639 5.275 -0.718 1.00 0.00 H new ATOM 1779 N LYS A 114 10.798 1.772 -0.042 1.00 0.00 N ATOM 1780 CA LYS A 114 11.947 0.942 0.251 1.00 0.00 C ATOM 1781 C LYS A 114 11.781 0.206 1.591 1.00 0.00 C ATOM 1782 O LYS A 114 10.703 -0.119 2.021 1.00 0.00 O ATOM 1783 CB LYS A 114 13.244 1.723 0.100 1.00 0.00 C ATOM 1784 CG LYS A 114 13.570 2.774 1.163 1.00 0.00 C ATOM 1785 CD LYS A 114 12.464 3.009 2.191 1.00 0.00 C ATOM 1786 CE LYS A 114 12.315 4.506 2.596 1.00 0.00 C ATOM 1787 NZ LYS A 114 13.304 4.986 3.503 1.00 0.00 N ATOM 0 H LYS A 114 10.115 1.869 0.710 1.00 0.00 H new ATOM 0 HA LYS A 114 12.011 0.148 -0.493 1.00 0.00 H new ATOM 0 HB2 LYS A 114 14.065 1.007 0.074 1.00 0.00 H new ATOM 0 HB3 LYS A 114 13.224 2.221 -0.869 1.00 0.00 H new ATOM 0 HG2 LYS A 114 14.476 2.471 1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 114 13.791 3.718 0.665 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.517 2.652 1.785 1.00 0.00 H new ATOM 0 HD3 LYS A 114 12.672 2.417 3.082 1.00 0.00 H new ATOM 0 HE2 LYS A 114 12.345 5.116 1.693 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.332 4.649 3.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.124 5.988 3.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 13.264 4.434 4.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 14.246 4.886 3.074 1.00 0.00 H new ATOM 1801 N LYS A 115 12.923 -0.033 2.213 1.00 0.00 N ATOM 1802 CA LYS A 115 13.096 -0.708 3.476 1.00 0.00 C ATOM 1803 C LYS A 115 13.990 0.038 4.407 1.00 0.00 C ATOM 1804 O LYS A 115 14.469 1.137 4.186 1.00 0.00 O ATOM 1805 CB LYS A 115 13.710 -2.079 3.073 1.00 0.00 C ATOM 1806 CG LYS A 115 13.323 -3.157 4.080 1.00 0.00 C ATOM 1807 CD LYS A 115 14.640 -3.753 4.626 1.00 0.00 C ATOM 1808 CE LYS A 115 14.424 -4.813 5.679 1.00 0.00 C ATOM 1809 NZ LYS A 115 15.602 -5.546 6.115 1.00 0.00 N ATOM 0 H LYS A 115 13.814 0.263 1.815 1.00 0.00 H new ATOM 0 HA LYS A 115 12.158 -0.801 4.023 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.363 -2.361 2.079 1.00 0.00 H new ATOM 0 HB3 LYS A 115 14.796 -1.996 3.020 1.00 0.00 H new ATOM 0 HG2 LYS A 115 12.726 -2.734 4.888 1.00 0.00 H new ATOM 0 HG3 LYS A 115 12.717 -3.929 3.606 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.207 -4.182 3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 115 15.247 -2.951 5.047 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.975 -4.340 6.552 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.698 -5.531 5.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.329 -6.244 6.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.026 -6.037 5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.294 -4.883 6.519 1.00 0.00 H new ATOM 1823 N GLU A 116 14.239 -0.619 5.557 1.00 0.00 N ATOM 1824 CA GLU A 116 15.078 -0.064 6.581 1.00 0.00 C ATOM 1825 C GLU A 116 16.476 0.210 5.997 1.00 0.00 C ATOM 1826 O GLU A 116 17.001 -0.629 5.279 1.00 0.00 O ATOM 1827 CB GLU A 116 15.234 -1.138 7.667 1.00 0.00 C ATOM 1828 CG GLU A 116 16.283 -0.861 8.712 1.00 0.00 C ATOM 1829 CD GLU A 116 17.223 -2.072 8.844 1.00 0.00 C ATOM 1830 OE1 GLU A 116 17.575 -2.661 7.805 1.00 0.00 O ATOM 1831 OE2 GLU A 116 17.586 -2.398 9.973 1.00 0.00 O ATOM 1832 OXT GLU A 116 17.071 1.243 6.223 1.00 0.00 O ATOM 0 H GLU A 116 13.858 -1.539 5.779 1.00 0.00 H new ATOM 0 HA GLU A 116 14.647 0.858 6.972 1.00 0.00 H new ATOM 0 HB2 GLU A 116 14.274 -1.265 8.167 1.00 0.00 H new ATOM 0 HB3 GLU A 116 15.470 -2.086 7.184 1.00 0.00 H new ATOM 0 HG2 GLU A 116 16.855 0.026 8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 116 15.808 -0.652 9.670 1.00 0.00 H new