USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A -4 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A -1 SER OG : rot 180:sc=2.96e-05 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot -54:sc= 0.659 USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -178:sc=-0.00128 (180deg=-0.0351) USER MOD Single : A 31 CYS SG : rot -152:sc= 0.185 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.369 K(o=-0.37,f=-1.1!) USER MOD Single : A 37 TYR OH : rot 20:sc= 0.0565 USER MOD Single : A 41 HIS : no HE2:sc= -0.967 K(o=-0.97,f=-3.9!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 1.01 K(o=1,f=-0.064) USER MOD Single : A 56 HIS : no HD1:sc= 0.273 K(o=0.27,f=-4.5!) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS :FLIP no HD1:sc= -1.66 F(o=-2.6!,f=-1.7) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc=-0.00266 K(o=-0.0027,f=-1.4) USER MOD Single : A 70 SER OG : rot -140:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.0729 X(o=-0.073,f=-0.079) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -55:sc= 0.415 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 23:sc= 0.604 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -3.576 23.427 14.453 1.00 0.00 N ATOM 2 CA GLY A -6 -4.041 24.649 15.085 1.00 0.00 C ATOM 3 C GLY A -6 -3.000 25.751 15.051 1.00 0.00 C ATOM 4 O GLY A -6 -2.280 25.964 16.027 1.00 0.00 O ATOM 0 H1 GLY A -6 -4.323 22.705 14.502 1.00 0.00 H new ATOM 0 H2 GLY A -6 -3.344 23.618 13.457 1.00 0.00 H new ATOM 0 H3 GLY A -6 -2.728 23.082 14.946 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -4.946 24.992 14.583 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -4.310 24.439 16.120 1.00 0.00 H new ATOM 8 N SER A -5 -2.919 26.452 13.925 1.00 0.00 N ATOM 9 CA SER A -5 -1.955 27.534 13.766 1.00 0.00 C ATOM 10 C SER A -5 -0.531 27.029 13.977 1.00 0.00 C ATOM 11 O SER A -5 0.287 27.693 14.613 1.00 0.00 O ATOM 12 CB SER A -5 -2.259 28.665 14.751 1.00 0.00 C ATOM 13 OG SER A -5 -1.402 29.773 14.536 1.00 0.00 O ATOM 0 H SER A -5 -3.509 26.290 13.109 1.00 0.00 H new ATOM 0 HA SER A -5 -2.039 27.916 12.748 1.00 0.00 H new ATOM 0 HB2 SER A -5 -3.297 28.978 14.641 1.00 0.00 H new ATOM 0 HB3 SER A -5 -2.141 28.303 15.772 1.00 0.00 H new ATOM 0 HG SER A -5 -0.469 29.475 14.561 1.00 0.00 H new ATOM 19 N SER A -4 -0.243 25.848 13.439 1.00 0.00 N ATOM 20 CA SER A -4 1.080 25.250 13.571 1.00 0.00 C ATOM 21 C SER A -4 2.039 25.816 12.528 1.00 0.00 C ATOM 22 O SER A -4 3.156 26.220 12.850 1.00 0.00 O ATOM 23 CB SER A -4 0.993 23.729 13.428 1.00 0.00 C ATOM 24 OG SER A -4 0.313 23.151 14.528 1.00 0.00 O ATOM 0 H SER A -4 -0.908 25.287 12.908 1.00 0.00 H new ATOM 0 HA SER A -4 1.464 25.493 14.562 1.00 0.00 H new ATOM 0 HB2 SER A -4 0.475 23.477 12.503 1.00 0.00 H new ATOM 0 HB3 SER A -4 1.996 23.310 13.356 1.00 0.00 H new ATOM 0 HG SER A -4 0.269 22.179 14.412 1.00 0.00 H new ATOM 30 N GLY A -3 1.593 25.842 11.276 1.00 0.00 N ATOM 31 CA GLY A -3 2.422 26.361 10.204 1.00 0.00 C ATOM 32 C GLY A -3 1.606 26.839 9.019 1.00 0.00 C ATOM 33 O GLY A -3 1.020 27.920 9.056 1.00 0.00 O ATOM 0 H GLY A -3 0.672 25.513 10.985 1.00 0.00 H new ATOM 0 HA2 GLY A -3 3.025 27.186 10.582 1.00 0.00 H new ATOM 0 HA3 GLY A -3 3.114 25.585 9.876 1.00 0.00 H new ATOM 37 N SER A -2 1.569 26.031 7.964 1.00 0.00 N ATOM 38 CA SER A -2 0.824 26.380 6.760 1.00 0.00 C ATOM 39 C SER A -2 0.143 25.151 6.167 1.00 0.00 C ATOM 40 O SER A -2 0.629 24.029 6.310 1.00 0.00 O ATOM 41 CB SER A -2 1.755 27.012 5.723 1.00 0.00 C ATOM 42 OG SER A -2 1.846 28.414 5.906 1.00 0.00 O ATOM 0 H SER A -2 2.046 25.131 7.919 1.00 0.00 H new ATOM 0 HA SER A -2 0.055 27.102 7.035 1.00 0.00 H new ATOM 0 HB2 SER A -2 2.747 26.567 5.801 1.00 0.00 H new ATOM 0 HB3 SER A -2 1.387 26.796 4.720 1.00 0.00 H new ATOM 0 HG SER A -2 2.448 28.793 5.232 1.00 0.00 H new ATOM 48 N SER A -1 -0.986 25.371 5.501 1.00 0.00 N ATOM 49 CA SER A -1 -1.738 24.281 4.889 1.00 0.00 C ATOM 50 C SER A -1 -1.242 24.008 3.472 1.00 0.00 C ATOM 51 O SER A -1 -0.584 24.848 2.860 1.00 0.00 O ATOM 52 CB SER A -1 -3.231 24.614 4.864 1.00 0.00 C ATOM 53 OG SER A -1 -3.465 25.860 4.231 1.00 0.00 O ATOM 0 H SER A -1 -1.400 26.294 5.371 1.00 0.00 H new ATOM 0 HA SER A -1 -1.584 23.384 5.489 1.00 0.00 H new ATOM 0 HB2 SER A -1 -3.773 23.828 4.338 1.00 0.00 H new ATOM 0 HB3 SER A -1 -3.618 24.642 5.883 1.00 0.00 H new ATOM 0 HG SER A -1 -4.427 26.049 4.226 1.00 0.00 H new ATOM 59 N GLY A 0 -1.564 22.826 2.957 1.00 0.00 N ATOM 60 CA GLY A 0 -1.144 22.462 1.616 1.00 0.00 C ATOM 61 C GLY A 0 -1.465 21.019 1.280 1.00 0.00 C ATOM 62 O GLY A 0 -2.568 20.710 0.831 1.00 0.00 O ATOM 0 H GLY A 0 -2.108 22.114 3.444 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -1.633 23.117 0.895 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -0.071 22.625 1.518 1.00 0.00 H new ATOM 66 N MET A 1 -0.498 20.133 1.496 1.00 0.00 N ATOM 67 CA MET A 1 -0.684 18.715 1.212 1.00 0.00 C ATOM 68 C MET A 1 -1.563 18.059 2.271 1.00 0.00 C ATOM 69 O MET A 1 -2.021 18.716 3.206 1.00 0.00 O ATOM 70 CB MET A 1 0.670 18.005 1.144 1.00 0.00 C ATOM 71 CG MET A 1 1.469 18.096 2.434 1.00 0.00 C ATOM 72 SD MET A 1 3.150 17.469 2.255 1.00 0.00 S ATOM 73 CE MET A 1 4.022 18.963 1.792 1.00 0.00 C ATOM 0 H MET A 1 0.422 20.372 1.867 1.00 0.00 H new ATOM 0 HA MET A 1 -1.182 18.626 0.247 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.509 16.955 0.899 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.256 18.435 0.332 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.506 19.135 2.762 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.957 17.534 3.215 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.078 18.737 1.645 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.603 19.357 0.866 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.916 19.706 2.583 1.00 0.00 H new ATOM 83 N VAL A 2 -1.795 16.759 2.119 1.00 0.00 N ATOM 84 CA VAL A 2 -2.619 16.014 3.064 1.00 0.00 C ATOM 85 C VAL A 2 -2.082 14.601 3.266 1.00 0.00 C ATOM 86 O VAL A 2 -2.063 13.793 2.337 1.00 0.00 O ATOM 87 CB VAL A 2 -4.082 15.932 2.590 1.00 0.00 C ATOM 88 CG1 VAL A 2 -4.868 14.953 3.449 1.00 0.00 C ATOM 89 CG2 VAL A 2 -4.726 17.310 2.613 1.00 0.00 C ATOM 0 H VAL A 2 -1.424 16.200 1.351 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.581 16.553 4.011 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.093 15.567 1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.899 14.909 3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.417 13.963 3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.851 15.285 4.487 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.760 17.234 2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.704 17.705 3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.176 17.980 1.952 1.00 0.00 H new ATOM 99 N LYS A 3 -1.647 14.308 4.487 1.00 0.00 N ATOM 100 CA LYS A 3 -1.111 12.992 4.813 1.00 0.00 C ATOM 101 C LYS A 3 -2.209 11.934 4.780 1.00 0.00 C ATOM 102 O LYS A 3 -3.380 12.232 5.022 1.00 0.00 O ATOM 103 CB LYS A 3 -0.452 13.015 6.194 1.00 0.00 C ATOM 104 CG LYS A 3 0.068 11.661 6.643 1.00 0.00 C ATOM 105 CD LYS A 3 0.995 11.788 7.840 1.00 0.00 C ATOM 106 CE LYS A 3 1.294 10.432 8.460 1.00 0.00 C ATOM 107 NZ LYS A 3 2.400 10.508 9.455 1.00 0.00 N ATOM 0 H LYS A 3 -1.655 14.965 5.267 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.362 12.737 4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.374 13.726 6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.174 13.378 6.926 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.772 11.015 6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.599 11.183 5.820 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.927 12.261 7.531 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.539 12.438 8.587 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.396 10.048 8.944 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.560 9.724 7.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.573 9.564 9.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.264 10.850 8.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.136 11.164 10.218 1.00 0.00 H new ATOM 121 N LEU A 4 -1.825 10.698 4.482 1.00 0.00 N ATOM 122 CA LEU A 4 -2.777 9.595 4.419 1.00 0.00 C ATOM 123 C LEU A 4 -2.250 8.377 5.172 1.00 0.00 C ATOM 124 O LEU A 4 -1.258 7.768 4.772 1.00 0.00 O ATOM 125 CB LEU A 4 -3.063 9.224 2.963 1.00 0.00 C ATOM 126 CG LEU A 4 -3.493 10.372 2.050 1.00 0.00 C ATOM 127 CD1 LEU A 4 -3.317 9.987 0.589 1.00 0.00 C ATOM 128 CD2 LEU A 4 -4.937 10.763 2.329 1.00 0.00 C ATOM 0 H LEU A 4 -0.861 10.434 4.280 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.703 9.920 4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.167 8.768 2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.844 8.464 2.949 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.857 11.233 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.628 10.817 -0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.269 9.756 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.927 9.112 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.226 11.582 1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.587 9.906 2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.034 11.081 3.367 1.00 0.00 H new ATOM 140 N PHE A 5 -2.922 8.026 6.263 1.00 0.00 N ATOM 141 CA PHE A 5 -2.523 6.881 7.072 1.00 0.00 C ATOM 142 C PHE A 5 -3.071 5.583 6.485 1.00 0.00 C ATOM 143 O PHE A 5 -4.284 5.376 6.435 1.00 0.00 O ATOM 144 CB PHE A 5 -3.013 7.050 8.511 1.00 0.00 C ATOM 145 CG PHE A 5 -2.520 5.979 9.442 1.00 0.00 C ATOM 146 CD1 PHE A 5 -3.019 4.689 9.362 1.00 0.00 C ATOM 147 CD2 PHE A 5 -1.557 6.262 10.397 1.00 0.00 C ATOM 148 CE1 PHE A 5 -2.567 3.702 10.218 1.00 0.00 C ATOM 149 CE2 PHE A 5 -1.101 5.280 11.256 1.00 0.00 C ATOM 150 CZ PHE A 5 -1.607 3.997 11.165 1.00 0.00 C ATOM 0 H PHE A 5 -3.746 8.519 6.607 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.434 6.829 7.071 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.690 8.022 8.885 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.103 7.052 8.517 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.770 4.452 8.623 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.158 7.263 10.471 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.965 2.701 10.146 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.351 5.515 11.997 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.252 3.227 11.834 1.00 0.00 H new ATOM 160 N ILE A 6 -2.169 4.714 6.042 1.00 0.00 N ATOM 161 CA ILE A 6 -2.562 3.437 5.460 1.00 0.00 C ATOM 162 C ILE A 6 -1.994 2.269 6.260 1.00 0.00 C ATOM 163 O ILE A 6 -0.782 2.157 6.439 1.00 0.00 O ATOM 164 CB ILE A 6 -2.094 3.317 3.997 1.00 0.00 C ATOM 165 CG1 ILE A 6 -2.528 4.548 3.198 1.00 0.00 C ATOM 166 CG2 ILE A 6 -2.646 2.048 3.366 1.00 0.00 C ATOM 167 CD1 ILE A 6 -1.974 4.581 1.791 1.00 0.00 C ATOM 0 H ILE A 6 -1.162 4.871 6.075 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.651 3.399 5.490 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.005 3.262 3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.617 4.576 3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.208 5.446 3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.306 1.978 2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.292 1.181 3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.735 2.074 3.389 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.323 5.481 1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.885 4.585 1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.315 3.701 1.245 1.00 0.00 H new ATOM 179 N GLY A 7 -2.879 1.400 6.738 1.00 0.00 N ATOM 180 CA GLY A 7 -2.448 0.251 7.512 1.00 0.00 C ATOM 181 C GLY A 7 -2.902 -1.061 6.905 1.00 0.00 C ATOM 182 O GLY A 7 -3.763 -1.081 6.027 1.00 0.00 O ATOM 0 H GLY A 7 -3.887 1.471 6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.361 0.255 7.588 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.839 0.333 8.526 1.00 0.00 H new ATOM 186 N ASN A 8 -2.319 -2.161 7.372 1.00 0.00 N ATOM 187 CA ASN A 8 -2.667 -3.484 6.867 1.00 0.00 C ATOM 188 C ASN A 8 -2.126 -3.687 5.455 1.00 0.00 C ATOM 189 O ASN A 8 -2.806 -4.245 4.592 1.00 0.00 O ATOM 190 CB ASN A 8 -4.186 -3.672 6.875 1.00 0.00 C ATOM 191 CG ASN A 8 -4.587 -5.124 7.052 1.00 0.00 C ATOM 192 OD1 ASN A 8 -4.540 -5.663 8.158 1.00 0.00 O ATOM 193 ND2 ASN A 8 -4.985 -5.765 5.958 1.00 0.00 N ATOM 0 H ASN A 8 -1.604 -2.162 8.099 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.212 -4.227 7.522 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.619 -3.078 7.680 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.601 -3.294 5.941 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.267 -6.744 6.015 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.008 -5.278 5.062 1.00 0.00 H new ATOM 200 N LEU A 9 -0.900 -3.231 5.226 1.00 0.00 N ATOM 201 CA LEU A 9 -0.266 -3.363 3.918 1.00 0.00 C ATOM 202 C LEU A 9 0.419 -4.719 3.780 1.00 0.00 C ATOM 203 O LEU A 9 0.985 -5.256 4.732 1.00 0.00 O ATOM 204 CB LEU A 9 0.751 -2.241 3.707 1.00 0.00 C ATOM 205 CG LEU A 9 0.176 -0.832 3.561 1.00 0.00 C ATOM 206 CD1 LEU A 9 1.281 0.209 3.655 1.00 0.00 C ATOM 207 CD2 LEU A 9 -0.575 -0.697 2.244 1.00 0.00 C ATOM 0 H LEU A 9 -0.325 -2.767 5.928 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.042 -3.289 3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.444 -2.243 4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.333 -2.469 2.814 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.526 -0.661 4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.852 1.205 3.549 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.776 0.128 4.623 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.008 0.040 2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.978 0.312 2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.106 -0.889 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.392 -1.418 2.216 1.00 0.00 H new ATOM 219 N PRO A 10 0.369 -5.286 2.565 1.00 0.00 N ATOM 220 CA PRO A 10 0.983 -6.584 2.272 1.00 0.00 C ATOM 221 C PRO A 10 2.496 -6.488 2.108 1.00 0.00 C ATOM 222 O PRO A 10 3.077 -5.412 2.250 1.00 0.00 O ATOM 223 CB PRO A 10 0.327 -6.996 0.951 1.00 0.00 C ATOM 224 CG PRO A 10 -0.028 -5.710 0.288 1.00 0.00 C ATOM 225 CD PRO A 10 -0.289 -4.702 1.384 1.00 0.00 C ATOM 0 HA PRO A 10 0.831 -7.298 3.081 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.009 -7.583 0.336 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.557 -7.610 1.122 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.782 -5.374 -0.359 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.910 -5.832 -0.341 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.127 -3.726 1.136 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.357 -4.560 1.551 1.00 0.00 H new ATOM 233 N ARG A 11 3.127 -7.618 1.809 1.00 0.00 N ATOM 234 CA ARG A 11 4.573 -7.660 1.627 1.00 0.00 C ATOM 235 C ARG A 11 4.956 -7.230 0.214 1.00 0.00 C ATOM 236 O ARG A 11 6.059 -6.736 -0.016 1.00 0.00 O ATOM 237 CB ARG A 11 5.103 -9.068 1.904 1.00 0.00 C ATOM 238 CG ARG A 11 5.050 -9.461 3.372 1.00 0.00 C ATOM 239 CD ARG A 11 5.433 -10.919 3.572 1.00 0.00 C ATOM 240 NE ARG A 11 5.865 -11.188 4.941 1.00 0.00 N ATOM 241 CZ ARG A 11 6.465 -12.313 5.314 1.00 0.00 C ATOM 242 NH1 ARG A 11 6.704 -13.267 4.426 1.00 0.00 N ATOM 243 NH2 ARG A 11 6.829 -12.484 6.579 1.00 0.00 N ATOM 0 H ARG A 11 2.660 -8.517 1.688 1.00 0.00 H new ATOM 0 HA ARG A 11 5.023 -6.964 2.335 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.524 -9.786 1.323 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.134 -9.134 1.556 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.724 -8.825 3.945 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.045 -9.291 3.759 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.581 -11.554 3.329 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.234 -11.182 2.881 1.00 0.00 H new ATOM 0 HE ARG A 11 5.697 -10.473 5.649 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.427 -13.139 3.453 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.165 -14.130 4.716 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.648 -11.751 7.265 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.290 -13.348 6.865 1.00 0.00 H new ATOM 257 N GLU A 12 4.037 -7.421 -0.727 1.00 0.00 N ATOM 258 CA GLU A 12 4.280 -7.054 -2.117 1.00 0.00 C ATOM 259 C GLU A 12 4.101 -5.553 -2.322 1.00 0.00 C ATOM 260 O GLU A 12 4.653 -4.973 -3.257 1.00 0.00 O ATOM 261 CB GLU A 12 3.335 -7.823 -3.043 1.00 0.00 C ATOM 262 CG GLU A 12 3.534 -9.329 -3.001 1.00 0.00 C ATOM 263 CD GLU A 12 4.571 -9.809 -3.998 1.00 0.00 C ATOM 264 OE1 GLU A 12 5.646 -9.180 -4.085 1.00 0.00 O ATOM 265 OE2 GLU A 12 4.306 -10.814 -4.691 1.00 0.00 O ATOM 0 H GLU A 12 3.118 -7.827 -0.552 1.00 0.00 H new ATOM 0 HA GLU A 12 5.309 -7.316 -2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.305 -7.593 -2.769 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.479 -7.474 -4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.838 -9.624 -1.996 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.584 -9.823 -3.205 1.00 0.00 H new ATOM 272 N ALA A 13 3.324 -4.930 -1.442 1.00 0.00 N ATOM 273 CA ALA A 13 3.072 -3.496 -1.525 1.00 0.00 C ATOM 274 C ALA A 13 4.377 -2.716 -1.639 1.00 0.00 C ATOM 275 O ALA A 13 5.284 -2.878 -0.821 1.00 0.00 O ATOM 276 CB ALA A 13 2.279 -3.028 -0.315 1.00 0.00 C ATOM 0 H ALA A 13 2.858 -5.396 -0.663 1.00 0.00 H new ATOM 0 HA ALA A 13 2.486 -3.307 -2.424 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.098 -1.956 -0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.325 -3.555 -0.279 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.844 -3.237 0.593 1.00 0.00 H new ATOM 282 N THR A 14 4.468 -1.867 -2.659 1.00 0.00 N ATOM 283 CA THR A 14 5.663 -1.063 -2.880 1.00 0.00 C ATOM 284 C THR A 14 5.319 0.419 -2.972 1.00 0.00 C ATOM 285 O THR A 14 4.236 0.786 -3.428 1.00 0.00 O ATOM 286 CB THR A 14 6.396 -1.489 -4.166 1.00 0.00 C ATOM 287 OG1 THR A 14 5.476 -1.540 -5.261 1.00 0.00 O ATOM 288 CG2 THR A 14 7.056 -2.848 -3.987 1.00 0.00 C ATOM 0 H THR A 14 3.728 -1.719 -3.345 1.00 0.00 H new ATOM 0 HA THR A 14 6.318 -1.229 -2.025 1.00 0.00 H new ATOM 0 HB THR A 14 7.170 -0.752 -4.378 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.951 -1.810 -6.075 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.567 -3.128 -4.908 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.778 -2.797 -3.172 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.296 -3.594 -3.753 1.00 0.00 H new ATOM 296 N GLU A 15 6.247 1.266 -2.537 1.00 0.00 N ATOM 297 CA GLU A 15 6.039 2.709 -2.572 1.00 0.00 C ATOM 298 C GLU A 15 5.336 3.127 -3.860 1.00 0.00 C ATOM 299 O GLU A 15 4.334 3.842 -3.827 1.00 0.00 O ATOM 300 CB GLU A 15 7.377 3.441 -2.448 1.00 0.00 C ATOM 301 CG GLU A 15 7.956 3.418 -1.043 1.00 0.00 C ATOM 302 CD GLU A 15 9.304 4.107 -0.956 1.00 0.00 C ATOM 303 OE1 GLU A 15 10.200 3.760 -1.754 1.00 0.00 O ATOM 304 OE2 GLU A 15 9.463 4.993 -0.090 1.00 0.00 O ATOM 0 H GLU A 15 7.149 0.978 -2.157 1.00 0.00 H new ATOM 0 HA GLU A 15 5.404 2.980 -1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.093 2.990 -3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.245 4.477 -2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.259 3.903 -0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.059 2.384 -0.713 1.00 0.00 H new ATOM 311 N GLN A 16 5.868 2.676 -4.991 1.00 0.00 N ATOM 312 CA GLN A 16 5.292 3.004 -6.290 1.00 0.00 C ATOM 313 C GLN A 16 3.849 2.520 -6.383 1.00 0.00 C ATOM 314 O GLN A 16 2.920 3.322 -6.473 1.00 0.00 O ATOM 315 CB GLN A 16 6.124 2.383 -7.412 1.00 0.00 C ATOM 316 CG GLN A 16 7.611 2.680 -7.303 1.00 0.00 C ATOM 317 CD GLN A 16 8.471 1.576 -7.885 1.00 0.00 C ATOM 318 OE1 GLN A 16 8.795 1.587 -9.073 1.00 0.00 O ATOM 319 NE2 GLN A 16 8.847 0.615 -7.050 1.00 0.00 N ATOM 0 H GLN A 16 6.697 2.083 -5.034 1.00 0.00 H new ATOM 0 HA GLN A 16 5.300 4.088 -6.399 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.976 1.303 -7.407 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.758 2.751 -8.371 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.829 3.615 -7.818 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.873 2.825 -6.255 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.556 0.645 -6.073 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.427 -0.154 -7.385 1.00 0.00 H new ATOM 328 N GLU A 17 3.669 1.203 -6.361 1.00 0.00 N ATOM 329 CA GLU A 17 2.338 0.612 -6.445 1.00 0.00 C ATOM 330 C GLU A 17 1.308 1.492 -5.743 1.00 0.00 C ATOM 331 O GLU A 17 0.280 1.844 -6.322 1.00 0.00 O ATOM 332 CB GLU A 17 2.337 -0.787 -5.826 1.00 0.00 C ATOM 333 CG GLU A 17 2.876 -1.863 -6.753 1.00 0.00 C ATOM 334 CD GLU A 17 2.204 -1.852 -8.113 1.00 0.00 C ATOM 335 OE1 GLU A 17 1.044 -2.304 -8.206 1.00 0.00 O ATOM 336 OE2 GLU A 17 2.839 -1.390 -9.084 1.00 0.00 O ATOM 0 H GLU A 17 4.428 0.525 -6.286 1.00 0.00 H new ATOM 0 HA GLU A 17 2.068 0.535 -7.498 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.934 -0.772 -4.914 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.319 -1.046 -5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.949 -1.723 -6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.735 -2.840 -6.290 1.00 0.00 H new ATOM 343 N ILE A 18 1.591 1.841 -4.493 1.00 0.00 N ATOM 344 CA ILE A 18 0.690 2.680 -3.712 1.00 0.00 C ATOM 345 C ILE A 18 0.704 4.119 -4.214 1.00 0.00 C ATOM 346 O ILE A 18 -0.329 4.788 -4.243 1.00 0.00 O ATOM 347 CB ILE A 18 1.061 2.665 -2.217 1.00 0.00 C ATOM 348 CG1 ILE A 18 1.007 1.238 -1.669 1.00 0.00 C ATOM 349 CG2 ILE A 18 0.129 3.575 -1.431 1.00 0.00 C ATOM 350 CD1 ILE A 18 -0.289 0.521 -1.977 1.00 0.00 C ATOM 0 H ILE A 18 2.437 1.556 -3.999 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.311 2.266 -3.834 1.00 0.00 H new ATOM 0 HB ILE A 18 2.079 3.038 -2.107 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.837 0.666 -2.085 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.149 1.267 -0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.404 3.554 -0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.213 4.594 -1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.899 3.230 -1.545 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.257 -0.485 -1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.122 1.070 -1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.424 0.460 -3.057 1.00 0.00 H new ATOM 362 N ARG A 19 1.882 4.590 -4.611 1.00 0.00 N ATOM 363 CA ARG A 19 2.031 5.950 -5.113 1.00 0.00 C ATOM 364 C ARG A 19 1.122 6.189 -6.315 1.00 0.00 C ATOM 365 O ARG A 19 0.424 7.201 -6.386 1.00 0.00 O ATOM 366 CB ARG A 19 3.487 6.217 -5.501 1.00 0.00 C ATOM 367 CG ARG A 19 3.686 7.515 -6.266 1.00 0.00 C ATOM 368 CD ARG A 19 3.585 7.298 -7.767 1.00 0.00 C ATOM 369 NE ARG A 19 4.842 6.819 -8.337 1.00 0.00 N ATOM 370 CZ ARG A 19 5.956 7.542 -8.369 1.00 0.00 C ATOM 371 NH1 ARG A 19 5.969 8.769 -7.867 1.00 0.00 N ATOM 372 NH2 ARG A 19 7.060 7.037 -8.904 1.00 0.00 N ATOM 0 H ARG A 19 2.747 4.049 -4.595 1.00 0.00 H new ATOM 0 HA ARG A 19 1.742 6.637 -4.318 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.096 6.241 -4.597 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.850 5.388 -6.108 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.938 8.242 -5.951 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.662 7.936 -6.023 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.794 6.578 -7.977 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.301 8.233 -8.250 1.00 0.00 H new ATOM 0 HE ARG A 19 4.866 5.879 -8.732 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.122 9.160 -7.455 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.826 9.322 -7.893 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.054 6.093 -9.291 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.915 7.592 -8.928 1.00 0.00 H new ATOM 386 N SER A 20 1.135 5.251 -7.256 1.00 0.00 N ATOM 387 CA SER A 20 0.315 5.361 -8.457 1.00 0.00 C ATOM 388 C SER A 20 -1.168 5.382 -8.102 1.00 0.00 C ATOM 389 O SER A 20 -1.926 6.218 -8.596 1.00 0.00 O ATOM 390 CB SER A 20 0.607 4.199 -9.408 1.00 0.00 C ATOM 391 OG SER A 20 -0.151 4.313 -10.600 1.00 0.00 O ATOM 0 H SER A 20 1.704 4.406 -7.210 1.00 0.00 H new ATOM 0 HA SER A 20 0.565 6.299 -8.953 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.670 4.181 -9.649 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.376 3.255 -8.915 1.00 0.00 H new ATOM 0 HG SER A 20 0.055 3.559 -11.192 1.00 0.00 H new ATOM 397 N LEU A 21 -1.577 4.456 -7.241 1.00 0.00 N ATOM 398 CA LEU A 21 -2.970 4.366 -6.818 1.00 0.00 C ATOM 399 C LEU A 21 -3.532 5.748 -6.499 1.00 0.00 C ATOM 400 O LEU A 21 -4.643 6.088 -6.907 1.00 0.00 O ATOM 401 CB LEU A 21 -3.095 3.457 -5.594 1.00 0.00 C ATOM 402 CG LEU A 21 -3.091 1.953 -5.872 1.00 0.00 C ATOM 403 CD1 LEU A 21 -3.072 1.170 -4.569 1.00 0.00 C ATOM 404 CD2 LEU A 21 -4.299 1.564 -6.713 1.00 0.00 C ATOM 0 H LEU A 21 -0.963 3.757 -6.822 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.546 3.940 -7.639 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.274 3.683 -4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.019 3.708 -5.073 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.189 1.708 -6.432 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.069 0.102 -4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.177 1.427 -4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.956 1.419 -3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.281 0.491 -6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.213 1.823 -6.179 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.269 2.100 -7.662 1.00 0.00 H new ATOM 416 N PHE A 22 -2.757 6.542 -5.767 1.00 0.00 N ATOM 417 CA PHE A 22 -3.177 7.887 -5.393 1.00 0.00 C ATOM 418 C PHE A 22 -3.023 8.850 -6.567 1.00 0.00 C ATOM 419 O PHE A 22 -3.751 9.837 -6.672 1.00 0.00 O ATOM 420 CB PHE A 22 -2.361 8.386 -4.199 1.00 0.00 C ATOM 421 CG PHE A 22 -2.834 7.844 -2.881 1.00 0.00 C ATOM 422 CD1 PHE A 22 -3.934 8.397 -2.244 1.00 0.00 C ATOM 423 CD2 PHE A 22 -2.180 6.781 -2.279 1.00 0.00 C ATOM 424 CE1 PHE A 22 -4.371 7.900 -1.031 1.00 0.00 C ATOM 425 CE2 PHE A 22 -2.613 6.280 -1.065 1.00 0.00 C ATOM 426 CZ PHE A 22 -3.711 6.840 -0.441 1.00 0.00 C ATOM 0 H PHE A 22 -1.835 6.277 -5.421 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.230 7.848 -5.113 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.316 8.110 -4.342 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.402 9.475 -4.171 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.455 9.225 -2.701 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.322 6.339 -2.764 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.229 8.340 -0.544 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.094 5.452 -0.605 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.053 6.450 0.506 1.00 0.00 H new ATOM 436 N GLU A 23 -2.070 8.556 -7.445 1.00 0.00 N ATOM 437 CA GLU A 23 -1.819 9.396 -8.610 1.00 0.00 C ATOM 438 C GLU A 23 -3.024 9.401 -9.547 1.00 0.00 C ATOM 439 O GLU A 23 -3.110 10.223 -10.459 1.00 0.00 O ATOM 440 CB GLU A 23 -0.578 8.909 -9.361 1.00 0.00 C ATOM 441 CG GLU A 23 0.721 9.153 -8.612 1.00 0.00 C ATOM 442 CD GLU A 23 1.334 10.503 -8.932 1.00 0.00 C ATOM 443 OE1 GLU A 23 0.975 11.086 -9.976 1.00 0.00 O ATOM 444 OE2 GLU A 23 2.174 10.976 -8.137 1.00 0.00 O ATOM 0 H GLU A 23 -1.459 7.743 -7.372 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.647 10.414 -8.261 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.679 7.842 -9.559 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.529 9.409 -10.328 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.536 9.087 -7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.433 8.366 -8.861 1.00 0.00 H new ATOM 451 N GLN A 24 -3.951 8.478 -9.314 1.00 0.00 N ATOM 452 CA GLN A 24 -5.151 8.375 -10.137 1.00 0.00 C ATOM 453 C GLN A 24 -6.199 9.393 -9.701 1.00 0.00 C ATOM 454 O GLN A 24 -6.995 9.866 -10.512 1.00 0.00 O ATOM 455 CB GLN A 24 -5.730 6.962 -10.056 1.00 0.00 C ATOM 456 CG GLN A 24 -4.762 5.881 -10.509 1.00 0.00 C ATOM 457 CD GLN A 24 -5.416 4.517 -10.609 1.00 0.00 C ATOM 458 OE1 GLN A 24 -5.741 4.050 -11.701 1.00 0.00 O ATOM 459 NE2 GLN A 24 -5.613 3.869 -9.466 1.00 0.00 N ATOM 0 H GLN A 24 -3.895 7.791 -8.562 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.873 8.587 -11.169 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.032 6.760 -9.028 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.630 6.912 -10.668 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.348 6.153 -11.480 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.928 5.829 -9.810 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.328 4.294 -8.583 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.049 2.947 -9.471 1.00 0.00 H new ATOM 468 N TYR A 25 -6.194 9.727 -8.415 1.00 0.00 N ATOM 469 CA TYR A 25 -7.146 10.687 -7.870 1.00 0.00 C ATOM 470 C TYR A 25 -6.440 11.966 -7.433 1.00 0.00 C ATOM 471 O TYR A 25 -7.043 12.840 -6.810 1.00 0.00 O ATOM 472 CB TYR A 25 -7.898 10.076 -6.686 1.00 0.00 C ATOM 473 CG TYR A 25 -8.335 8.647 -6.919 1.00 0.00 C ATOM 474 CD1 TYR A 25 -7.469 7.587 -6.679 1.00 0.00 C ATOM 475 CD2 TYR A 25 -9.614 8.357 -7.378 1.00 0.00 C ATOM 476 CE1 TYR A 25 -7.864 6.280 -6.891 1.00 0.00 C ATOM 477 CE2 TYR A 25 -10.017 7.053 -7.592 1.00 0.00 C ATOM 478 CZ TYR A 25 -9.139 6.018 -7.347 1.00 0.00 C ATOM 479 OH TYR A 25 -9.536 4.718 -7.558 1.00 0.00 O ATOM 0 H TYR A 25 -5.541 9.347 -7.730 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.860 10.938 -8.655 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.260 10.113 -5.803 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.776 10.685 -6.470 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.470 7.788 -6.321 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.305 9.165 -7.571 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.178 5.468 -6.701 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.015 6.845 -7.949 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.462 4.707 -7.878 1.00 0.00 H new ATOM 489 N GLY A 26 -5.157 12.070 -7.764 1.00 0.00 N ATOM 490 CA GLY A 26 -4.388 13.245 -7.399 1.00 0.00 C ATOM 491 C GLY A 26 -2.901 12.965 -7.323 1.00 0.00 C ATOM 492 O GLY A 26 -2.484 11.899 -6.869 1.00 0.00 O ATOM 0 H GLY A 26 -4.636 11.360 -8.279 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.569 14.035 -8.128 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.734 13.617 -6.435 1.00 0.00 H new ATOM 496 N LYS A 27 -2.096 13.923 -7.772 1.00 0.00 N ATOM 497 CA LYS A 27 -0.646 13.775 -7.754 1.00 0.00 C ATOM 498 C LYS A 27 -0.141 13.532 -6.335 1.00 0.00 C ATOM 499 O LYS A 27 -0.657 14.104 -5.375 1.00 0.00 O ATOM 500 CB LYS A 27 0.022 15.023 -8.337 1.00 0.00 C ATOM 501 CG LYS A 27 1.527 14.890 -8.494 1.00 0.00 C ATOM 502 CD LYS A 27 2.205 16.249 -8.535 1.00 0.00 C ATOM 503 CE LYS A 27 3.716 16.122 -8.423 1.00 0.00 C ATOM 504 NZ LYS A 27 4.128 15.525 -7.122 1.00 0.00 N ATOM 0 H LYS A 27 -2.424 14.810 -8.153 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.387 12.911 -8.366 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.419 15.240 -9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.194 15.875 -7.692 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.930 14.306 -7.666 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.751 14.343 -9.409 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.950 16.756 -9.465 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.830 16.869 -7.721 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.090 15.505 -9.240 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.172 17.106 -8.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.166 15.487 -7.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.764 16.108 -6.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.742 14.563 -7.044 1.00 0.00 H new ATOM 518 N VAL A 28 0.872 12.680 -6.210 1.00 0.00 N ATOM 519 CA VAL A 28 1.448 12.364 -4.909 1.00 0.00 C ATOM 520 C VAL A 28 2.755 13.118 -4.688 1.00 0.00 C ATOM 521 O VAL A 28 3.525 13.335 -5.624 1.00 0.00 O ATOM 522 CB VAL A 28 1.710 10.853 -4.763 1.00 0.00 C ATOM 523 CG1 VAL A 28 2.531 10.571 -3.514 1.00 0.00 C ATOM 524 CG2 VAL A 28 0.396 10.086 -4.732 1.00 0.00 C ATOM 0 H VAL A 28 1.310 12.197 -6.994 1.00 0.00 H new ATOM 0 HA VAL A 28 0.721 12.674 -4.158 1.00 0.00 H new ATOM 0 HB VAL A 28 2.282 10.516 -5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.706 9.499 -3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.487 11.090 -3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.989 10.922 -2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.599 9.020 -4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.203 10.425 -3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.150 10.263 -5.658 1.00 0.00 H new ATOM 534 N LEU A 29 2.999 13.515 -3.444 1.00 0.00 N ATOM 535 CA LEU A 29 4.213 14.246 -3.099 1.00 0.00 C ATOM 536 C LEU A 29 5.234 13.324 -2.438 1.00 0.00 C ATOM 537 O LEU A 29 6.366 13.202 -2.903 1.00 0.00 O ATOM 538 CB LEU A 29 3.883 15.412 -2.166 1.00 0.00 C ATOM 539 CG LEU A 29 2.642 16.230 -2.527 1.00 0.00 C ATOM 540 CD1 LEU A 29 2.455 17.377 -1.547 1.00 0.00 C ATOM 541 CD2 LEU A 29 2.746 16.755 -3.952 1.00 0.00 C ATOM 0 H LEU A 29 2.372 13.343 -2.658 1.00 0.00 H new ATOM 0 HA LEU A 29 4.646 14.637 -4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.754 15.019 -1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.741 16.084 -2.139 1.00 0.00 H new ATOM 0 HG LEU A 29 1.770 15.579 -2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.567 17.948 -1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.335 16.979 -0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.329 18.028 -1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.855 17.335 -4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.627 17.390 -4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.831 15.917 -4.643 1.00 0.00 H new ATOM 553 N GLU A 30 4.823 12.678 -1.351 1.00 0.00 N ATOM 554 CA GLU A 30 5.701 11.767 -0.627 1.00 0.00 C ATOM 555 C GLU A 30 4.976 10.468 -0.285 1.00 0.00 C ATOM 556 O GLU A 30 3.766 10.463 -0.055 1.00 0.00 O ATOM 557 CB GLU A 30 6.217 12.428 0.652 1.00 0.00 C ATOM 558 CG GLU A 30 7.262 11.604 1.386 1.00 0.00 C ATOM 559 CD GLU A 30 8.587 11.555 0.651 1.00 0.00 C ATOM 560 OE1 GLU A 30 9.281 12.593 0.612 1.00 0.00 O ATOM 561 OE2 GLU A 30 8.931 10.481 0.116 1.00 0.00 O ATOM 0 H GLU A 30 3.888 12.769 -0.953 1.00 0.00 H new ATOM 0 HA GLU A 30 6.548 11.531 -1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.643 13.400 0.402 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.376 12.611 1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.417 12.023 2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.889 10.589 1.523 1.00 0.00 H new ATOM 568 N CYS A 31 5.723 9.371 -0.254 1.00 0.00 N ATOM 569 CA CYS A 31 5.152 8.065 0.059 1.00 0.00 C ATOM 570 C CYS A 31 6.182 7.170 0.739 1.00 0.00 C ATOM 571 O CYS A 31 7.221 6.852 0.161 1.00 0.00 O ATOM 572 CB CYS A 31 4.636 7.393 -1.215 1.00 0.00 C ATOM 573 SG CYS A 31 3.969 5.733 -0.954 1.00 0.00 S ATOM 0 H CYS A 31 6.726 9.359 -0.442 1.00 0.00 H new ATOM 0 HA CYS A 31 4.319 8.215 0.746 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.860 8.020 -1.655 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.449 7.337 -1.939 1.00 0.00 H new ATOM 0 HG CYS A 31 4.110 5.033 -2.040 1.00 0.00 H new ATOM 579 N ASP A 32 5.888 6.768 1.971 1.00 0.00 N ATOM 580 CA ASP A 32 6.789 5.910 2.731 1.00 0.00 C ATOM 581 C ASP A 32 6.036 4.724 3.325 1.00 0.00 C ATOM 582 O ASP A 32 5.027 4.897 4.011 1.00 0.00 O ATOM 583 CB ASP A 32 7.469 6.708 3.844 1.00 0.00 C ATOM 584 CG ASP A 32 8.634 7.534 3.335 1.00 0.00 C ATOM 585 OD1 ASP A 32 9.694 6.944 3.034 1.00 0.00 O ATOM 586 OD2 ASP A 32 8.486 8.770 3.236 1.00 0.00 O ATOM 0 H ASP A 32 5.032 7.023 2.464 1.00 0.00 H new ATOM 0 HA ASP A 32 7.551 5.530 2.050 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.738 7.366 4.314 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.822 6.023 4.615 1.00 0.00 H new ATOM 591 N ILE A 33 6.532 3.521 3.058 1.00 0.00 N ATOM 592 CA ILE A 33 5.906 2.306 3.567 1.00 0.00 C ATOM 593 C ILE A 33 6.784 1.634 4.617 1.00 0.00 C ATOM 594 O ILE A 33 7.820 1.051 4.293 1.00 0.00 O ATOM 595 CB ILE A 33 5.621 1.303 2.434 1.00 0.00 C ATOM 596 CG1 ILE A 33 4.750 1.952 1.356 1.00 0.00 C ATOM 597 CG2 ILE A 33 4.947 0.056 2.987 1.00 0.00 C ATOM 598 CD1 ILE A 33 4.490 1.054 0.167 1.00 0.00 C ATOM 0 H ILE A 33 7.365 3.361 2.492 1.00 0.00 H new ATOM 0 HA ILE A 33 4.962 2.604 4.023 1.00 0.00 H new ATOM 0 HB ILE A 33 6.568 1.010 1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.796 2.242 1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.233 2.866 1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.752 -0.643 2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.600 -0.415 3.722 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.005 0.332 3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.866 1.579 -0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.438 0.784 -0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.978 0.150 0.498 1.00 0.00 H new ATOM 610 N ILE A 34 6.363 1.718 5.874 1.00 0.00 N ATOM 611 CA ILE A 34 7.109 1.115 6.971 1.00 0.00 C ATOM 612 C ILE A 34 6.169 0.565 8.039 1.00 0.00 C ATOM 613 O ILE A 34 5.005 0.957 8.118 1.00 0.00 O ATOM 614 CB ILE A 34 8.071 2.127 7.621 1.00 0.00 C ATOM 615 CG1 ILE A 34 8.726 3.001 6.550 1.00 0.00 C ATOM 616 CG2 ILE A 34 9.128 1.402 8.441 1.00 0.00 C ATOM 617 CD1 ILE A 34 9.304 4.290 7.092 1.00 0.00 C ATOM 0 H ILE A 34 5.509 2.198 6.158 1.00 0.00 H new ATOM 0 HA ILE A 34 7.689 0.296 6.545 1.00 0.00 H new ATOM 0 HB ILE A 34 7.500 2.771 8.289 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.519 2.433 6.064 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.988 3.237 5.784 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.800 2.131 8.894 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.644 0.819 9.224 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.698 0.736 7.793 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.752 4.859 6.277 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.511 4.879 7.553 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.066 4.062 7.837 1.00 0.00 H new ATOM 629 N LYS A 35 6.683 -0.344 8.860 1.00 0.00 N ATOM 630 CA LYS A 35 5.892 -0.946 9.927 1.00 0.00 C ATOM 631 C LYS A 35 4.518 -1.367 9.414 1.00 0.00 C ATOM 632 O LYS A 35 3.493 -1.000 9.987 1.00 0.00 O ATOM 633 CB LYS A 35 5.736 0.035 11.090 1.00 0.00 C ATOM 634 CG LYS A 35 6.897 0.009 12.069 1.00 0.00 C ATOM 635 CD LYS A 35 6.465 0.447 13.459 1.00 0.00 C ATOM 636 CE LYS A 35 7.663 0.678 14.367 1.00 0.00 C ATOM 637 NZ LYS A 35 7.255 1.193 15.703 1.00 0.00 N ATOM 0 H LYS A 35 7.644 -0.680 8.807 1.00 0.00 H new ATOM 0 HA LYS A 35 6.417 -1.834 10.278 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.631 1.044 10.691 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.815 -0.194 11.626 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.312 -0.998 12.116 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.691 0.664 11.711 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.879 1.363 13.387 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.817 -0.312 13.896 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.211 -0.256 14.490 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.344 1.388 13.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.100 1.337 16.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.754 2.097 15.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.626 0.505 16.163 1.00 0.00 H new ATOM 651 N ASN A 36 4.506 -2.139 8.333 1.00 0.00 N ATOM 652 CA ASN A 36 3.258 -2.611 7.744 1.00 0.00 C ATOM 653 C ASN A 36 2.286 -1.454 7.533 1.00 0.00 C ATOM 654 O ASN A 36 1.070 -1.649 7.503 1.00 0.00 O ATOM 655 CB ASN A 36 2.617 -3.673 8.639 1.00 0.00 C ATOM 656 CG ASN A 36 3.646 -4.483 9.404 1.00 0.00 C ATOM 657 OD1 ASN A 36 4.745 -4.736 8.909 1.00 0.00 O ATOM 658 ND2 ASN A 36 3.294 -4.894 10.616 1.00 0.00 N ATOM 0 H ASN A 36 5.346 -2.451 7.847 1.00 0.00 H new ATOM 0 HA ASN A 36 3.487 -3.053 6.774 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.941 -3.190 9.345 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.013 -4.343 8.027 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.945 -5.443 11.177 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.373 -4.661 10.986 1.00 0.00 H new ATOM 665 N TYR A 37 2.829 -0.251 7.386 1.00 0.00 N ATOM 666 CA TYR A 37 2.010 0.938 7.179 1.00 0.00 C ATOM 667 C TYR A 37 2.607 1.828 6.094 1.00 0.00 C ATOM 668 O TYR A 37 3.803 1.765 5.810 1.00 0.00 O ATOM 669 CB TYR A 37 1.877 1.725 8.484 1.00 0.00 C ATOM 670 CG TYR A 37 3.059 2.622 8.773 1.00 0.00 C ATOM 671 CD1 TYR A 37 3.351 3.705 7.953 1.00 0.00 C ATOM 672 CD2 TYR A 37 3.885 2.387 9.866 1.00 0.00 C ATOM 673 CE1 TYR A 37 4.430 4.528 8.212 1.00 0.00 C ATOM 674 CE2 TYR A 37 4.965 3.205 10.134 1.00 0.00 C ATOM 675 CZ TYR A 37 5.234 4.274 9.304 1.00 0.00 C ATOM 676 OH TYR A 37 6.310 5.091 9.567 1.00 0.00 O ATOM 0 H TYR A 37 3.833 -0.073 7.406 1.00 0.00 H new ATOM 0 HA TYR A 37 1.021 0.615 6.855 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.973 2.332 8.442 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.753 1.025 9.310 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.723 3.907 7.098 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.679 1.550 10.517 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.643 5.365 7.564 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.596 3.009 10.989 1.00 0.00 H new ATOM 0 HH TYR A 37 6.188 5.949 9.110 1.00 0.00 H new ATOM 686 N GLY A 38 1.764 2.660 5.490 1.00 0.00 N ATOM 687 CA GLY A 38 2.225 3.553 4.443 1.00 0.00 C ATOM 688 C GLY A 38 1.611 4.935 4.547 1.00 0.00 C ATOM 689 O GLY A 38 0.400 5.072 4.726 1.00 0.00 O ATOM 0 H GLY A 38 0.770 2.732 5.707 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.311 3.637 4.493 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.983 3.124 3.471 1.00 0.00 H new ATOM 693 N PHE A 39 2.446 5.962 4.436 1.00 0.00 N ATOM 694 CA PHE A 39 1.979 7.341 4.522 1.00 0.00 C ATOM 695 C PHE A 39 2.058 8.027 3.161 1.00 0.00 C ATOM 696 O PHE A 39 3.136 8.159 2.582 1.00 0.00 O ATOM 697 CB PHE A 39 2.805 8.119 5.547 1.00 0.00 C ATOM 698 CG PHE A 39 2.743 7.539 6.931 1.00 0.00 C ATOM 699 CD1 PHE A 39 1.571 6.977 7.410 1.00 0.00 C ATOM 700 CD2 PHE A 39 3.858 7.557 7.754 1.00 0.00 C ATOM 701 CE1 PHE A 39 1.511 6.442 8.683 1.00 0.00 C ATOM 702 CE2 PHE A 39 3.804 7.023 9.028 1.00 0.00 C ATOM 703 CZ PHE A 39 2.629 6.467 9.493 1.00 0.00 C ATOM 0 H PHE A 39 3.450 5.866 4.286 1.00 0.00 H new ATOM 0 HA PHE A 39 0.937 7.326 4.842 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.844 8.146 5.219 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.453 9.150 5.578 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.693 6.957 6.781 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.779 7.993 7.396 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.591 6.005 9.043 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.680 7.041 9.659 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.584 6.052 10.489 1.00 0.00 H new ATOM 713 N VAL A 40 0.908 8.462 2.657 1.00 0.00 N ATOM 714 CA VAL A 40 0.845 9.135 1.365 1.00 0.00 C ATOM 715 C VAL A 40 0.346 10.568 1.515 1.00 0.00 C ATOM 716 O VAL A 40 -0.688 10.815 2.136 1.00 0.00 O ATOM 717 CB VAL A 40 -0.074 8.384 0.384 1.00 0.00 C ATOM 718 CG1 VAL A 40 -0.103 9.086 -0.965 1.00 0.00 C ATOM 719 CG2 VAL A 40 0.377 6.939 0.233 1.00 0.00 C ATOM 0 H VAL A 40 0.007 8.360 3.124 1.00 0.00 H new ATOM 0 HA VAL A 40 1.859 9.146 0.965 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.086 8.385 0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.758 8.541 -1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.477 10.102 -0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.904 9.119 -1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.283 6.423 -0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.398 6.914 -0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.340 6.443 1.203 1.00 0.00 H new ATOM 729 N HIS A 41 1.088 11.511 0.943 1.00 0.00 N ATOM 730 CA HIS A 41 0.721 12.920 1.012 1.00 0.00 C ATOM 731 C HIS A 41 0.191 13.411 -0.332 1.00 0.00 C ATOM 732 O HIS A 41 0.964 13.769 -1.221 1.00 0.00 O ATOM 733 CB HIS A 41 1.924 13.763 1.437 1.00 0.00 C ATOM 734 CG HIS A 41 2.656 13.208 2.620 1.00 0.00 C ATOM 735 ND1 HIS A 41 3.280 11.978 2.609 1.00 0.00 N ATOM 736 CD2 HIS A 41 2.864 13.722 3.854 1.00 0.00 C ATOM 737 CE1 HIS A 41 3.839 11.760 3.786 1.00 0.00 C ATOM 738 NE2 HIS A 41 3.601 12.803 4.560 1.00 0.00 N ATOM 0 H HIS A 41 1.947 11.324 0.426 1.00 0.00 H new ATOM 0 HA HIS A 41 -0.069 13.027 1.755 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.615 13.844 0.598 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.586 14.773 1.670 1.00 0.00 H new ATOM 0 HD1 HIS A 41 3.306 11.337 1.816 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.515 14.678 4.217 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.396 10.879 4.067 1.00 0.00 H new ATOM 746 N ILE A 42 -1.130 13.423 -0.472 1.00 0.00 N ATOM 747 CA ILE A 42 -1.762 13.869 -1.708 1.00 0.00 C ATOM 748 C ILE A 42 -1.608 15.375 -1.891 1.00 0.00 C ATOM 749 O ILE A 42 -1.227 16.087 -0.963 1.00 0.00 O ATOM 750 CB ILE A 42 -3.260 13.511 -1.735 1.00 0.00 C ATOM 751 CG1 ILE A 42 -3.785 13.531 -3.172 1.00 0.00 C ATOM 752 CG2 ILE A 42 -4.051 14.474 -0.863 1.00 0.00 C ATOM 753 CD1 ILE A 42 -5.067 12.749 -3.358 1.00 0.00 C ATOM 0 H ILE A 42 -1.783 13.129 0.254 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.258 13.352 -2.525 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.385 12.504 -1.336 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.952 14.565 -3.475 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.021 13.124 -3.835 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.108 14.208 -0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.691 14.415 0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.923 15.491 -1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.381 12.807 -4.400 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.900 11.707 -3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.845 13.169 -2.721 1.00 0.00 H new ATOM 765 N GLU A 43 -1.908 15.853 -3.095 1.00 0.00 N ATOM 766 CA GLU A 43 -1.803 17.275 -3.400 1.00 0.00 C ATOM 767 C GLU A 43 -2.882 18.069 -2.669 1.00 0.00 C ATOM 768 O GLU A 43 -2.603 18.760 -1.690 1.00 0.00 O ATOM 769 CB GLU A 43 -1.917 17.506 -4.908 1.00 0.00 C ATOM 770 CG GLU A 43 -2.466 18.874 -5.274 1.00 0.00 C ATOM 771 CD GLU A 43 -1.933 19.381 -6.601 1.00 0.00 C ATOM 772 OE1 GLU A 43 -0.838 19.981 -6.609 1.00 0.00 O ATOM 773 OE2 GLU A 43 -2.611 19.178 -7.630 1.00 0.00 O ATOM 0 H GLU A 43 -2.225 15.277 -3.874 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.827 17.622 -3.060 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.933 17.386 -5.361 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.561 16.739 -5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.554 18.825 -5.319 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.211 19.586 -4.489 1.00 0.00 H new ATOM 780 N ASP A 44 -4.115 17.964 -3.154 1.00 0.00 N ATOM 781 CA ASP A 44 -5.237 18.671 -2.548 1.00 0.00 C ATOM 782 C ASP A 44 -6.056 17.735 -1.664 1.00 0.00 C ATOM 783 O ASP A 44 -6.259 16.568 -1.998 1.00 0.00 O ATOM 784 CB ASP A 44 -6.129 19.280 -3.631 1.00 0.00 C ATOM 785 CG ASP A 44 -5.394 20.299 -4.480 1.00 0.00 C ATOM 786 OD1 ASP A 44 -4.353 20.813 -4.021 1.00 0.00 O ATOM 787 OD2 ASP A 44 -5.861 20.584 -5.603 1.00 0.00 O ATOM 0 H ASP A 44 -4.362 17.396 -3.965 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.836 19.471 -1.926 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.512 18.486 -4.272 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.991 19.755 -3.163 1.00 0.00 H new ATOM 792 N LYS A 45 -6.524 18.255 -0.534 1.00 0.00 N ATOM 793 CA LYS A 45 -7.321 17.467 0.398 1.00 0.00 C ATOM 794 C LYS A 45 -8.511 16.828 -0.309 1.00 0.00 C ATOM 795 O LYS A 45 -8.631 15.603 -0.363 1.00 0.00 O ATOM 796 CB LYS A 45 -7.810 18.346 1.551 1.00 0.00 C ATOM 797 CG LYS A 45 -8.684 17.608 2.551 1.00 0.00 C ATOM 798 CD LYS A 45 -8.894 18.422 3.817 1.00 0.00 C ATOM 799 CE LYS A 45 -9.920 19.524 3.607 1.00 0.00 C ATOM 800 NZ LYS A 45 -10.179 20.288 4.859 1.00 0.00 N ATOM 0 H LYS A 45 -6.365 19.219 -0.242 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.690 16.673 0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.947 18.760 2.072 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.370 19.187 1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.649 17.385 2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.223 16.653 2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.223 17.766 4.622 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.947 18.860 4.130 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.568 20.205 2.832 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.852 19.088 3.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.884 21.030 4.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.539 19.643 5.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.295 20.725 5.188 1.00 0.00 H new ATOM 814 N THR A 46 -9.391 17.665 -0.851 1.00 0.00 N ATOM 815 CA THR A 46 -10.572 17.181 -1.555 1.00 0.00 C ATOM 816 C THR A 46 -10.264 15.909 -2.337 1.00 0.00 C ATOM 817 O THR A 46 -11.098 15.009 -2.430 1.00 0.00 O ATOM 818 CB THR A 46 -11.123 18.245 -2.524 1.00 0.00 C ATOM 819 OG1 THR A 46 -11.369 19.467 -1.820 1.00 0.00 O ATOM 820 CG2 THR A 46 -12.409 17.764 -3.180 1.00 0.00 C ATOM 0 H THR A 46 -9.308 18.681 -0.816 1.00 0.00 H new ATOM 0 HA THR A 46 -11.325 16.965 -0.797 1.00 0.00 H new ATOM 0 HB THR A 46 -10.379 18.418 -3.302 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.717 20.139 -2.443 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.780 18.531 -3.860 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.212 16.849 -3.738 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.157 17.567 -2.412 1.00 0.00 H new ATOM 828 N ALA A 47 -9.061 15.842 -2.897 1.00 0.00 N ATOM 829 CA ALA A 47 -8.642 14.678 -3.669 1.00 0.00 C ATOM 830 C ALA A 47 -8.633 13.421 -2.806 1.00 0.00 C ATOM 831 O ALA A 47 -9.129 12.372 -3.216 1.00 0.00 O ATOM 832 CB ALA A 47 -7.266 14.914 -4.275 1.00 0.00 C ATOM 0 H ALA A 47 -8.359 16.579 -2.831 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.361 14.529 -4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.966 14.037 -4.849 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.302 15.783 -4.932 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.543 15.092 -3.479 1.00 0.00 H new ATOM 838 N ALA A 48 -8.066 13.534 -1.610 1.00 0.00 N ATOM 839 CA ALA A 48 -7.994 12.407 -0.688 1.00 0.00 C ATOM 840 C ALA A 48 -9.360 11.750 -0.517 1.00 0.00 C ATOM 841 O ALA A 48 -9.492 10.532 -0.632 1.00 0.00 O ATOM 842 CB ALA A 48 -7.451 12.859 0.659 1.00 0.00 C ATOM 0 H ALA A 48 -7.649 14.395 -1.256 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.314 11.667 -1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.403 12.007 1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.452 13.275 0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.108 13.620 1.079 1.00 0.00 H new ATOM 848 N GLU A 49 -10.373 12.566 -0.240 1.00 0.00 N ATOM 849 CA GLU A 49 -11.728 12.062 -0.052 1.00 0.00 C ATOM 850 C GLU A 49 -12.144 11.169 -1.217 1.00 0.00 C ATOM 851 O GLU A 49 -12.765 10.124 -1.021 1.00 0.00 O ATOM 852 CB GLU A 49 -12.713 13.225 0.091 1.00 0.00 C ATOM 853 CG GLU A 49 -12.775 13.801 1.495 1.00 0.00 C ATOM 854 CD GLU A 49 -11.475 14.461 1.913 1.00 0.00 C ATOM 855 OE1 GLU A 49 -11.226 15.606 1.484 1.00 0.00 O ATOM 856 OE2 GLU A 49 -10.707 13.830 2.670 1.00 0.00 O ATOM 0 H GLU A 49 -10.281 13.577 -0.141 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.743 11.467 0.861 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.432 14.016 -0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.708 12.885 -0.197 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.582 14.531 1.549 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.017 13.005 2.200 1.00 0.00 H new ATOM 863 N ASP A 50 -11.798 11.588 -2.429 1.00 0.00 N ATOM 864 CA ASP A 50 -12.135 10.827 -3.626 1.00 0.00 C ATOM 865 C ASP A 50 -11.436 9.471 -3.622 1.00 0.00 C ATOM 866 O ASP A 50 -12.076 8.432 -3.779 1.00 0.00 O ATOM 867 CB ASP A 50 -11.746 11.611 -4.881 1.00 0.00 C ATOM 868 CG ASP A 50 -12.865 12.508 -5.373 1.00 0.00 C ATOM 869 OD1 ASP A 50 -14.018 12.034 -5.443 1.00 0.00 O ATOM 870 OD2 ASP A 50 -12.587 13.683 -5.689 1.00 0.00 O ATOM 0 H ASP A 50 -11.284 12.451 -2.609 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.212 10.661 -3.630 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.865 12.217 -4.669 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.470 10.913 -5.671 1.00 0.00 H new ATOM 875 N ALA A 51 -10.119 9.490 -3.443 1.00 0.00 N ATOM 876 CA ALA A 51 -9.334 8.262 -3.418 1.00 0.00 C ATOM 877 C ALA A 51 -9.633 7.445 -2.166 1.00 0.00 C ATOM 878 O ALA A 51 -10.164 6.337 -2.248 1.00 0.00 O ATOM 879 CB ALA A 51 -7.849 8.583 -3.499 1.00 0.00 C ATOM 0 H ALA A 51 -9.574 10.342 -3.313 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.613 7.664 -4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.275 7.657 -3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.642 9.118 -4.426 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.564 9.204 -2.650 1.00 0.00 H new ATOM 885 N ILE A 52 -9.289 7.998 -1.008 1.00 0.00 N ATOM 886 CA ILE A 52 -9.521 7.320 0.261 1.00 0.00 C ATOM 887 C ILE A 52 -10.821 6.523 0.229 1.00 0.00 C ATOM 888 O ILE A 52 -10.820 5.307 0.420 1.00 0.00 O ATOM 889 CB ILE A 52 -9.574 8.319 1.432 1.00 0.00 C ATOM 890 CG1 ILE A 52 -8.246 9.069 1.552 1.00 0.00 C ATOM 891 CG2 ILE A 52 -9.900 7.597 2.731 1.00 0.00 C ATOM 892 CD1 ILE A 52 -8.332 10.320 2.399 1.00 0.00 C ATOM 0 H ILE A 52 -8.849 8.914 -0.922 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.683 6.639 0.412 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.363 9.045 1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.498 8.401 1.980 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.899 9.339 0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -9.934 8.317 3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.868 7.105 2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.132 6.851 2.936 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.354 10.800 2.440 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.055 11.007 1.960 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -8.649 10.055 3.408 1.00 0.00 H new ATOM 904 N ARG A 53 -11.928 7.216 -0.016 1.00 0.00 N ATOM 905 CA ARG A 53 -13.235 6.573 -0.075 1.00 0.00 C ATOM 906 C ARG A 53 -13.157 5.253 -0.837 1.00 0.00 C ATOM 907 O ARG A 53 -13.619 4.219 -0.355 1.00 0.00 O ATOM 908 CB ARG A 53 -14.254 7.499 -0.741 1.00 0.00 C ATOM 909 CG ARG A 53 -15.590 6.833 -1.022 1.00 0.00 C ATOM 910 CD ARG A 53 -15.606 6.172 -2.392 1.00 0.00 C ATOM 911 NE ARG A 53 -16.965 5.982 -2.892 1.00 0.00 N ATOM 912 CZ ARG A 53 -17.786 6.983 -3.188 1.00 0.00 C ATOM 913 NH1 ARG A 53 -17.388 8.238 -3.036 1.00 0.00 N ATOM 914 NH2 ARG A 53 -19.008 6.729 -3.639 1.00 0.00 N ATOM 0 H ARG A 53 -11.946 8.223 -0.177 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.556 6.366 0.946 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.417 8.366 -0.101 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -13.838 7.869 -1.678 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -15.794 6.087 -0.254 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -16.387 7.575 -0.965 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -15.043 6.784 -3.096 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.103 5.207 -2.335 1.00 0.00 H new ATOM 0 HE ARG A 53 -17.302 5.028 -3.021 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.449 8.437 -2.691 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -18.021 9.005 -3.264 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -19.317 5.764 -3.758 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -19.638 7.498 -3.866 1.00 0.00 H new ATOM 928 N ASN A 54 -12.571 5.297 -2.029 1.00 0.00 N ATOM 929 CA ASN A 54 -12.434 4.105 -2.858 1.00 0.00 C ATOM 930 C ASN A 54 -11.356 3.179 -2.305 1.00 0.00 C ATOM 931 O ASN A 54 -11.651 2.088 -1.813 1.00 0.00 O ATOM 932 CB ASN A 54 -12.097 4.496 -4.298 1.00 0.00 C ATOM 933 CG ASN A 54 -13.288 5.081 -5.033 1.00 0.00 C ATOM 934 OD1 ASN A 54 -14.101 4.351 -5.600 1.00 0.00 O ATOM 935 ND2 ASN A 54 -13.396 6.404 -5.025 1.00 0.00 N ATOM 0 H ASN A 54 -12.183 6.145 -2.442 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.385 3.573 -2.846 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.284 5.222 -4.294 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.738 3.618 -4.835 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.177 6.855 -5.502 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.698 6.970 -4.542 1.00 0.00 H new ATOM 942 N LEU A 55 -10.106 3.619 -2.388 1.00 0.00 N ATOM 943 CA LEU A 55 -8.982 2.831 -1.895 1.00 0.00 C ATOM 944 C LEU A 55 -9.380 2.026 -0.662 1.00 0.00 C ATOM 945 O LEU A 55 -9.037 0.850 -0.537 1.00 0.00 O ATOM 946 CB LEU A 55 -7.800 3.743 -1.563 1.00 0.00 C ATOM 947 CG LEU A 55 -6.959 4.212 -2.752 1.00 0.00 C ATOM 948 CD1 LEU A 55 -5.818 5.099 -2.281 1.00 0.00 C ATOM 949 CD2 LEU A 55 -6.424 3.020 -3.531 1.00 0.00 C ATOM 0 H LEU A 55 -9.845 4.518 -2.792 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.686 2.135 -2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.180 4.622 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.147 3.218 -0.866 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.597 4.796 -3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.231 5.423 -3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.223 5.971 -1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.181 4.539 -1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.828 3.373 -4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.802 2.408 -2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.258 2.424 -3.901 1.00 0.00 H new ATOM 961 N HIS A 56 -10.109 2.667 0.246 1.00 0.00 N ATOM 962 CA HIS A 56 -10.557 2.011 1.469 1.00 0.00 C ATOM 963 C HIS A 56 -11.029 0.589 1.180 1.00 0.00 C ATOM 964 O HIS A 56 -11.960 0.379 0.401 1.00 0.00 O ATOM 965 CB HIS A 56 -11.684 2.813 2.120 1.00 0.00 C ATOM 966 CG HIS A 56 -11.758 2.645 3.607 1.00 0.00 C ATOM 967 ND1 HIS A 56 -10.657 2.362 4.387 1.00 0.00 N ATOM 968 CD2 HIS A 56 -12.809 2.724 4.456 1.00 0.00 C ATOM 969 CE1 HIS A 56 -11.028 2.273 5.652 1.00 0.00 C ATOM 970 NE2 HIS A 56 -12.329 2.488 5.721 1.00 0.00 N ATOM 0 H HIS A 56 -10.402 3.640 0.158 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.713 1.962 2.157 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.548 3.869 1.888 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.635 2.510 1.681 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.834 2.934 4.189 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.378 2.060 6.488 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -12.887 2.480 6.575 1.00 0.00 H new ATOM 978 N HIS A 57 -10.381 -0.385 1.813 1.00 0.00 N ATOM 979 CA HIS A 57 -10.735 -1.787 1.623 1.00 0.00 C ATOM 980 C HIS A 57 -10.531 -2.207 0.171 1.00 0.00 C ATOM 981 O HIS A 57 -11.279 -3.030 -0.358 1.00 0.00 O ATOM 982 CB HIS A 57 -12.187 -2.029 2.037 1.00 0.00 C ATOM 983 CG HIS A 57 -12.379 -2.122 3.520 1.00 0.00 C ATOM 984 ND1 HIS A 57 -13.389 -2.858 4.103 1.00 0.00 N ATOM 985 CD2 HIS A 57 -11.683 -1.567 4.539 1.00 0.00 C ATOM 986 CE1 HIS A 57 -13.306 -2.751 5.417 1.00 0.00 C ATOM 987 NE2 HIS A 57 -12.279 -1.973 5.708 1.00 0.00 N ATOM 0 H HIS A 57 -9.609 -0.229 2.461 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.080 -2.390 2.252 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.807 -1.221 1.649 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -12.539 -2.951 1.575 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.820 -0.924 4.450 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -13.966 -3.220 6.132 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -11.978 -1.716 6.648 1.00 0.00 H new ATOM 995 N TYR A 58 -9.516 -1.637 -0.468 1.00 0.00 N ATOM 996 CA TYR A 58 -9.216 -1.950 -1.860 1.00 0.00 C ATOM 997 C TYR A 58 -8.399 -3.235 -1.966 1.00 0.00 C ATOM 998 O TYR A 58 -7.290 -3.325 -1.439 1.00 0.00 O ATOM 999 CB TYR A 58 -8.455 -0.794 -2.512 1.00 0.00 C ATOM 1000 CG TYR A 58 -7.942 -1.113 -3.898 1.00 0.00 C ATOM 1001 CD1 TYR A 58 -6.771 -1.838 -4.078 1.00 0.00 C ATOM 1002 CD2 TYR A 58 -8.630 -0.689 -5.029 1.00 0.00 C ATOM 1003 CE1 TYR A 58 -6.298 -2.130 -5.342 1.00 0.00 C ATOM 1004 CE2 TYR A 58 -8.165 -0.978 -6.298 1.00 0.00 C ATOM 1005 CZ TYR A 58 -6.999 -1.698 -6.449 1.00 0.00 C ATOM 1006 OH TYR A 58 -6.532 -1.989 -7.710 1.00 0.00 O ATOM 0 H TYR A 58 -8.887 -0.955 -0.044 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.160 -2.097 -2.384 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.110 0.076 -2.567 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.613 -0.520 -1.876 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.221 -2.179 -3.214 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.543 -0.124 -4.914 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.385 -2.693 -5.463 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.712 -0.642 -7.166 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.142 -1.614 -8.379 1.00 0.00 H new ATOM 1016 N LYS A 59 -8.956 -4.227 -2.652 1.00 0.00 N ATOM 1017 CA LYS A 59 -8.282 -5.507 -2.830 1.00 0.00 C ATOM 1018 C LYS A 59 -6.923 -5.318 -3.496 1.00 0.00 C ATOM 1019 O LYS A 59 -6.841 -4.976 -4.677 1.00 0.00 O ATOM 1020 CB LYS A 59 -9.146 -6.450 -3.670 1.00 0.00 C ATOM 1021 CG LYS A 59 -8.873 -7.921 -3.409 1.00 0.00 C ATOM 1022 CD LYS A 59 -9.850 -8.812 -4.158 1.00 0.00 C ATOM 1023 CE LYS A 59 -10.100 -10.114 -3.414 1.00 0.00 C ATOM 1024 NZ LYS A 59 -10.523 -11.206 -4.335 1.00 0.00 N ATOM 0 H LYS A 59 -9.873 -4.169 -3.094 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.127 -5.947 -1.845 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.197 -6.243 -3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.977 -6.240 -4.726 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.854 -8.162 -3.712 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.943 -8.121 -2.340 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.793 -8.284 -4.296 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.458 -9.029 -5.152 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.193 -10.413 -2.889 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.869 -9.958 -2.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.684 -12.077 -3.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.403 -10.932 -4.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.778 -11.372 -5.042 1.00 0.00 H new ATOM 1038 N LEU A 60 -5.859 -5.544 -2.734 1.00 0.00 N ATOM 1039 CA LEU A 60 -4.502 -5.400 -3.251 1.00 0.00 C ATOM 1040 C LEU A 60 -3.660 -6.628 -2.921 1.00 0.00 C ATOM 1041 O LEU A 60 -3.025 -6.693 -1.868 1.00 0.00 O ATOM 1042 CB LEU A 60 -3.845 -4.146 -2.672 1.00 0.00 C ATOM 1043 CG LEU A 60 -2.458 -3.803 -3.216 1.00 0.00 C ATOM 1044 CD1 LEU A 60 -2.523 -3.533 -4.711 1.00 0.00 C ATOM 1045 CD2 LEU A 60 -1.878 -2.603 -2.481 1.00 0.00 C ATOM 0 H LEU A 60 -5.909 -5.828 -1.756 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.561 -5.304 -4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.505 -3.298 -2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.770 -4.265 -1.591 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.802 -4.658 -3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.527 -3.291 -5.081 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.895 -4.419 -5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.194 -2.695 -4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.891 -2.373 -2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.533 -1.742 -2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.794 -2.833 -1.419 1.00 0.00 H new ATOM 1057 N HIS A 61 -3.657 -7.599 -3.829 1.00 0.00 N ATOM 1058 CA HIS A 61 -2.890 -8.824 -3.635 1.00 0.00 C ATOM 1059 C HIS A 61 -3.560 -9.727 -2.603 1.00 0.00 C ATOM 1060 O HIS A 61 -2.903 -10.256 -1.707 1.00 0.00 O ATOM 1061 CB HIS A 61 -1.464 -8.494 -3.193 1.00 0.00 C ATOM 1062 CG HIS A 61 -0.849 -7.360 -3.954 1.00 0.00 C ATOM 1063 ND1 HIS A 61 -0.139 -6.290 -3.527 1.00 0.00 N flip ATOM 1064 CD2 HIS A 61 -0.931 -7.242 -5.325 1.00 0.00 C flip ATOM 1065 CE1 HIS A 61 0.192 -5.552 -4.637 1.00 0.00 C flip ATOM 1066 NE2 HIS A 61 -0.298 -6.148 -5.709 1.00 0.00 N flip ATOM 0 H HIS A 61 -4.177 -7.561 -4.706 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.853 -9.355 -4.586 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.469 -8.248 -2.131 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.841 -9.381 -3.312 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.434 -7.936 -5.982 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.760 -4.634 -4.634 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -0.204 -5.819 -6.670 1.00 0.00 H new ATOM 1074 N GLY A 62 -4.872 -9.897 -2.734 1.00 0.00 N ATOM 1075 CA GLY A 62 -5.608 -10.735 -1.806 1.00 0.00 C ATOM 1076 C GLY A 62 -5.618 -10.170 -0.399 1.00 0.00 C ATOM 1077 O GLY A 62 -5.651 -10.919 0.578 1.00 0.00 O ATOM 0 H GLY A 62 -5.438 -9.469 -3.467 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.634 -10.847 -2.157 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.166 -11.731 -1.791 1.00 0.00 H new ATOM 1081 N VAL A 63 -5.590 -8.845 -0.294 1.00 0.00 N ATOM 1082 CA VAL A 63 -5.595 -8.181 1.003 1.00 0.00 C ATOM 1083 C VAL A 63 -6.507 -6.959 0.991 1.00 0.00 C ATOM 1084 O VAL A 63 -6.792 -6.395 -0.065 1.00 0.00 O ATOM 1085 CB VAL A 63 -4.177 -7.745 1.417 1.00 0.00 C ATOM 1086 CG1 VAL A 63 -3.779 -6.467 0.695 1.00 0.00 C ATOM 1087 CG2 VAL A 63 -4.095 -7.563 2.925 1.00 0.00 C ATOM 0 H VAL A 63 -5.564 -8.211 -1.092 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.970 -8.904 1.727 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.476 -8.529 1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.774 -6.174 1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.796 -6.637 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.481 -5.672 0.948 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.086 -7.255 3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.806 -6.799 3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.334 -8.505 3.419 1.00 0.00 H new ATOM 1097 N ASN A 64 -6.962 -6.555 2.173 1.00 0.00 N ATOM 1098 CA ASN A 64 -7.842 -5.399 2.298 1.00 0.00 C ATOM 1099 C ASN A 64 -7.173 -4.291 3.105 1.00 0.00 C ATOM 1100 O ASN A 64 -7.273 -4.256 4.332 1.00 0.00 O ATOM 1101 CB ASN A 64 -9.160 -5.805 2.963 1.00 0.00 C ATOM 1102 CG ASN A 64 -9.999 -6.707 2.079 1.00 0.00 C ATOM 1103 OD1 ASN A 64 -10.049 -7.920 2.281 1.00 0.00 O ATOM 1104 ND2 ASN A 64 -10.664 -6.116 1.092 1.00 0.00 N ATOM 0 H ASN A 64 -6.736 -7.011 3.057 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.049 -5.021 1.297 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.948 -6.316 3.902 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.731 -4.910 3.210 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.245 -6.672 0.465 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.593 -5.107 0.962 1.00 0.00 H new ATOM 1111 N ILE A 65 -6.492 -3.388 2.408 1.00 0.00 N ATOM 1112 CA ILE A 65 -5.808 -2.277 3.059 1.00 0.00 C ATOM 1113 C ILE A 65 -6.806 -1.297 3.667 1.00 0.00 C ATOM 1114 O ILE A 65 -7.890 -1.085 3.126 1.00 0.00 O ATOM 1115 CB ILE A 65 -4.898 -1.521 2.074 1.00 0.00 C ATOM 1116 CG1 ILE A 65 -5.737 -0.832 0.997 1.00 0.00 C ATOM 1117 CG2 ILE A 65 -3.894 -2.474 1.442 1.00 0.00 C ATOM 1118 CD1 ILE A 65 -4.990 0.250 0.248 1.00 0.00 C ATOM 0 H ILE A 65 -6.399 -3.404 1.392 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.194 -2.705 3.852 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.348 -0.757 2.624 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.086 -1.581 0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.622 -0.397 1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.258 -1.925 0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.278 -2.923 2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.426 -3.258 0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.647 0.695 -0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.665 1.019 0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.120 -0.183 -0.245 1.00 0.00 H new ATOM 1130 N ASN A 66 -6.431 -0.701 4.794 1.00 0.00 N ATOM 1131 CA ASN A 66 -7.292 0.258 5.475 1.00 0.00 C ATOM 1132 C ASN A 66 -6.778 1.682 5.285 1.00 0.00 C ATOM 1133 O ASN A 66 -5.670 2.014 5.706 1.00 0.00 O ATOM 1134 CB ASN A 66 -7.377 -0.071 6.967 1.00 0.00 C ATOM 1135 CG ASN A 66 -7.944 -1.454 7.223 1.00 0.00 C ATOM 1136 OD1 ASN A 66 -8.508 -2.082 6.326 1.00 0.00 O ATOM 1137 ND2 ASN A 66 -7.796 -1.936 8.451 1.00 0.00 N ATOM 0 H ASN A 66 -5.536 -0.866 5.255 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.288 0.189 5.037 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.383 -0.001 7.409 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.000 0.672 7.465 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -8.156 -2.862 8.682 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.322 -1.381 9.163 1.00 0.00 H new ATOM 1144 N VAL A 67 -7.591 2.519 4.649 1.00 0.00 N ATOM 1145 CA VAL A 67 -7.220 3.908 4.405 1.00 0.00 C ATOM 1146 C VAL A 67 -7.947 4.847 5.360 1.00 0.00 C ATOM 1147 O VAL A 67 -9.156 4.733 5.557 1.00 0.00 O ATOM 1148 CB VAL A 67 -7.531 4.325 2.955 1.00 0.00 C ATOM 1149 CG1 VAL A 67 -7.103 5.764 2.710 1.00 0.00 C ATOM 1150 CG2 VAL A 67 -6.851 3.383 1.973 1.00 0.00 C ATOM 0 H VAL A 67 -8.511 2.260 4.293 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.146 3.984 4.574 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.608 4.260 2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.330 6.041 1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.640 6.424 3.391 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.031 5.859 2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.081 3.692 0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.772 3.414 2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.212 2.367 2.134 1.00 0.00 H new ATOM 1160 N GLU A 68 -7.201 5.776 5.950 1.00 0.00 N ATOM 1161 CA GLU A 68 -7.776 6.736 6.885 1.00 0.00 C ATOM 1162 C GLU A 68 -6.877 7.961 7.029 1.00 0.00 C ATOM 1163 O GLU A 68 -5.668 7.837 7.219 1.00 0.00 O ATOM 1164 CB GLU A 68 -7.991 6.084 8.252 1.00 0.00 C ATOM 1165 CG GLU A 68 -6.713 5.556 8.882 1.00 0.00 C ATOM 1166 CD GLU A 68 -6.970 4.438 9.874 1.00 0.00 C ATOM 1167 OE1 GLU A 68 -7.191 3.292 9.432 1.00 0.00 O ATOM 1168 OE2 GLU A 68 -6.949 4.711 11.093 1.00 0.00 O ATOM 0 H GLU A 68 -6.198 5.884 5.797 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.739 7.058 6.489 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.444 6.812 8.925 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.700 5.263 8.146 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.048 5.195 8.098 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.197 6.373 9.386 1.00 0.00 H new ATOM 1175 N ALA A 69 -7.478 9.143 6.936 1.00 0.00 N ATOM 1176 CA ALA A 69 -6.733 10.390 7.058 1.00 0.00 C ATOM 1177 C ALA A 69 -5.964 10.444 8.373 1.00 0.00 C ATOM 1178 O ALA A 69 -6.366 9.834 9.364 1.00 0.00 O ATOM 1179 CB ALA A 69 -7.675 11.580 6.945 1.00 0.00 C ATOM 0 H ALA A 69 -8.478 9.263 6.777 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.010 10.434 6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.106 12.505 7.038 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.175 11.557 5.977 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.420 11.531 7.739 1.00 0.00 H new ATOM 1185 N SER A 70 -4.856 11.178 8.376 1.00 0.00 N ATOM 1186 CA SER A 70 -4.028 11.309 9.569 1.00 0.00 C ATOM 1187 C SER A 70 -4.113 12.722 10.138 1.00 0.00 C ATOM 1188 O SER A 70 -3.567 13.667 9.568 1.00 0.00 O ATOM 1189 CB SER A 70 -2.574 10.963 9.247 1.00 0.00 C ATOM 1190 OG SER A 70 -1.914 10.424 10.379 1.00 0.00 O ATOM 0 H SER A 70 -4.511 11.691 7.565 1.00 0.00 H new ATOM 0 HA SER A 70 -4.402 10.612 10.319 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.541 10.245 8.427 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.051 11.857 8.909 1.00 0.00 H new ATOM 0 HG SER A 70 -1.001 10.777 10.424 1.00 0.00 H new ATOM 1196 N LYS A 71 -4.801 12.859 11.266 1.00 0.00 N ATOM 1197 CA LYS A 71 -4.958 14.155 11.914 1.00 0.00 C ATOM 1198 C LYS A 71 -5.616 14.003 13.282 1.00 0.00 C ATOM 1199 O LYS A 71 -6.651 13.352 13.415 1.00 0.00 O ATOM 1200 CB LYS A 71 -5.794 15.090 11.037 1.00 0.00 C ATOM 1201 CG LYS A 71 -5.443 16.558 11.206 1.00 0.00 C ATOM 1202 CD LYS A 71 -6.185 17.177 12.380 1.00 0.00 C ATOM 1203 CE LYS A 71 -6.262 18.690 12.255 1.00 0.00 C ATOM 1204 NZ LYS A 71 -7.335 19.264 13.114 1.00 0.00 N ATOM 0 H LYS A 71 -5.259 12.087 11.751 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.966 14.586 12.052 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.660 14.811 9.992 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.849 14.948 11.272 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.369 16.661 11.358 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.689 17.099 10.293 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.192 16.764 12.434 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.682 16.913 13.310 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.302 19.127 12.532 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.446 18.960 11.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.355 20.298 13.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.254 18.867 12.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.146 19.029 14.109 1.00 0.00 H new ATOM 1218 N ASN A 72 -5.007 14.610 14.297 1.00 0.00 N ATOM 1219 CA ASN A 72 -5.535 14.542 15.655 1.00 0.00 C ATOM 1220 C ASN A 72 -7.060 14.531 15.646 1.00 0.00 C ATOM 1221 O ASN A 72 -7.687 13.541 16.026 1.00 0.00 O ATOM 1222 CB ASN A 72 -5.027 15.726 16.481 1.00 0.00 C ATOM 1223 CG ASN A 72 -5.902 16.007 17.687 1.00 0.00 C ATOM 1224 OD1 ASN A 72 -6.597 17.022 17.741 1.00 0.00 O ATOM 1225 ND2 ASN A 72 -5.873 15.106 18.662 1.00 0.00 N ATOM 0 H ASN A 72 -4.149 15.154 14.204 1.00 0.00 H new ATOM 0 HA ASN A 72 -5.186 13.614 16.108 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -4.009 15.523 16.813 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.986 16.614 15.851 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -6.442 15.241 19.498 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.282 14.279 18.575 1.00 0.00 H new ATOM 1232 N LYS A 73 -7.652 15.637 15.210 1.00 0.00 N ATOM 1233 CA LYS A 73 -9.104 15.756 15.149 1.00 0.00 C ATOM 1234 C LYS A 73 -9.630 15.312 13.787 1.00 0.00 C ATOM 1235 O LYS A 73 -8.992 15.544 12.760 1.00 0.00 O ATOM 1236 CB LYS A 73 -9.531 17.199 15.426 1.00 0.00 C ATOM 1237 CG LYS A 73 -10.922 17.318 16.024 1.00 0.00 C ATOM 1238 CD LYS A 73 -11.047 18.550 16.905 1.00 0.00 C ATOM 1239 CE LYS A 73 -11.300 19.802 16.080 1.00 0.00 C ATOM 1240 NZ LYS A 73 -12.735 19.941 15.709 1.00 0.00 N ATOM 0 H LYS A 73 -7.148 16.465 14.893 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.529 15.105 15.913 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.812 17.658 16.105 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.495 17.765 14.495 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.660 17.366 15.223 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.145 16.426 16.610 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.862 18.410 17.615 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.135 18.676 17.488 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.984 20.679 16.645 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.693 19.770 15.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.866 20.806 15.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.030 19.116 15.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.313 19.997 16.572 1.00 0.00 H new ATOM 1254 N SER A 74 -10.796 14.675 13.787 1.00 0.00 N ATOM 1255 CA SER A 74 -11.406 14.198 12.552 1.00 0.00 C ATOM 1256 C SER A 74 -12.679 14.977 12.237 1.00 0.00 C ATOM 1257 O SER A 74 -13.675 14.878 12.954 1.00 0.00 O ATOM 1258 CB SER A 74 -11.722 12.705 12.658 1.00 0.00 C ATOM 1259 OG SER A 74 -12.329 12.226 11.470 1.00 0.00 O ATOM 0 H SER A 74 -11.337 14.477 14.629 1.00 0.00 H new ATOM 0 HA SER A 74 -10.695 14.356 11.741 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.805 12.149 12.851 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.385 12.530 13.505 1.00 0.00 H new ATOM 0 HG SER A 74 -12.519 11.269 11.563 1.00 0.00 H new ATOM 1265 N LYS A 75 -12.639 15.754 11.160 1.00 0.00 N ATOM 1266 CA LYS A 75 -13.788 16.551 10.747 1.00 0.00 C ATOM 1267 C LYS A 75 -14.770 15.712 9.936 1.00 0.00 C ATOM 1268 O LYS A 75 -14.608 15.546 8.728 1.00 0.00 O ATOM 1269 CB LYS A 75 -13.329 17.757 9.924 1.00 0.00 C ATOM 1270 CG LYS A 75 -14.415 18.797 9.711 1.00 0.00 C ATOM 1271 CD LYS A 75 -14.128 19.663 8.496 1.00 0.00 C ATOM 1272 CE LYS A 75 -14.378 18.905 7.200 1.00 0.00 C ATOM 1273 NZ LYS A 75 -14.728 19.822 6.081 1.00 0.00 N ATOM 0 H LYS A 75 -11.822 15.849 10.557 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.295 16.904 11.645 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.482 18.226 10.424 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.974 17.410 8.953 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.377 18.299 9.585 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.495 19.427 10.597 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.757 20.553 8.525 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.093 20.003 8.526 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.488 18.333 6.936 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.186 18.188 7.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.891 19.268 5.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.591 20.350 6.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.947 20.490 5.922 1.00 0.00 H new ATOM 1287 N ALA A 76 -15.788 15.185 10.609 1.00 0.00 N ATOM 1288 CA ALA A 76 -16.797 14.366 9.949 1.00 0.00 C ATOM 1289 C ALA A 76 -18.202 14.877 10.251 1.00 0.00 C ATOM 1290 O ALA A 76 -18.894 14.344 11.118 1.00 0.00 O ATOM 1291 CB ALA A 76 -16.659 12.912 10.377 1.00 0.00 C ATOM 0 H ALA A 76 -15.935 15.311 11.610 1.00 0.00 H new ATOM 0 HA ALA A 76 -16.637 14.433 8.873 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -17.419 12.312 9.877 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -15.669 12.545 10.105 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -16.790 12.836 11.456 1.00 0.00 H new ATOM 1297 N SER A 77 -18.617 15.914 9.530 1.00 0.00 N ATOM 1298 CA SER A 77 -19.938 16.500 9.724 1.00 0.00 C ATOM 1299 C SER A 77 -20.058 17.121 11.112 1.00 0.00 C ATOM 1300 O SER A 77 -21.073 16.962 11.790 1.00 0.00 O ATOM 1301 CB SER A 77 -21.023 15.439 9.532 1.00 0.00 C ATOM 1302 OG SER A 77 -22.313 16.025 9.520 1.00 0.00 O ATOM 0 H SER A 77 -18.057 16.365 8.806 1.00 0.00 H new ATOM 0 HA SER A 77 -20.073 17.286 8.981 1.00 0.00 H new ATOM 0 HB2 SER A 77 -20.853 14.906 8.596 1.00 0.00 H new ATOM 0 HB3 SER A 77 -20.962 14.703 10.334 1.00 0.00 H new ATOM 0 HG SER A 77 -22.444 16.545 10.340 1.00 0.00 H new ATOM 1308 N SER A 78 -19.013 17.830 11.529 1.00 0.00 N ATOM 1309 CA SER A 78 -18.999 18.472 12.838 1.00 0.00 C ATOM 1310 C SER A 78 -18.331 19.842 12.764 1.00 0.00 C ATOM 1311 O SER A 78 -17.112 19.945 12.632 1.00 0.00 O ATOM 1312 CB SER A 78 -18.269 17.591 13.854 1.00 0.00 C ATOM 1313 OG SER A 78 -18.690 17.882 15.176 1.00 0.00 O ATOM 0 H SER A 78 -18.166 17.974 10.979 1.00 0.00 H new ATOM 0 HA SER A 78 -20.032 18.607 13.160 1.00 0.00 H new ATOM 0 HB2 SER A 78 -18.458 16.541 13.632 1.00 0.00 H new ATOM 0 HB3 SER A 78 -17.194 17.747 13.769 1.00 0.00 H new ATOM 0 HG SER A 78 -18.211 17.305 15.806 1.00 0.00 H new ATOM 1319 N GLY A 79 -19.140 20.894 12.849 1.00 0.00 N ATOM 1320 CA GLY A 79 -18.611 22.244 12.789 1.00 0.00 C ATOM 1321 C GLY A 79 -19.700 23.296 12.855 1.00 0.00 C ATOM 1322 O GLY A 79 -20.810 23.104 12.358 1.00 0.00 O ATOM 0 H GLY A 79 -20.152 20.835 12.958 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -17.914 22.395 13.613 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -18.045 22.369 11.866 1.00 0.00 H new ATOM 1326 N PRO A 80 -19.386 24.439 13.482 1.00 0.00 N ATOM 1327 CA PRO A 80 -20.333 25.549 13.628 1.00 0.00 C ATOM 1328 C PRO A 80 -20.477 26.360 12.344 1.00 0.00 C ATOM 1329 O PRO A 80 -20.275 27.574 12.341 1.00 0.00 O ATOM 1330 CB PRO A 80 -19.710 26.404 14.734 1.00 0.00 C ATOM 1331 CG PRO A 80 -18.247 26.140 14.639 1.00 0.00 C ATOM 1332 CD PRO A 80 -18.081 24.737 14.098 1.00 0.00 C ATOM 0 HA PRO A 80 -21.339 25.199 13.858 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -19.932 27.461 14.589 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -20.099 26.128 15.714 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.767 26.865 13.982 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -17.775 26.234 15.617 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -17.273 24.683 13.368 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -17.842 24.028 14.891 1.00 0.00 H new ATOM 1340 N SER A 81 -20.827 25.681 11.257 1.00 0.00 N ATOM 1341 CA SER A 81 -20.994 26.339 9.966 1.00 0.00 C ATOM 1342 C SER A 81 -22.204 27.268 9.983 1.00 0.00 C ATOM 1343 O SER A 81 -22.312 28.180 9.163 1.00 0.00 O ATOM 1344 CB SER A 81 -21.153 25.298 8.856 1.00 0.00 C ATOM 1345 OG SER A 81 -22.364 24.577 9.002 1.00 0.00 O ATOM 0 H SER A 81 -21.000 24.676 11.244 1.00 0.00 H new ATOM 0 HA SER A 81 -20.102 26.935 9.771 1.00 0.00 H new ATOM 0 HB2 SER A 81 -21.135 25.792 7.885 1.00 0.00 H new ATOM 0 HB3 SER A 81 -20.310 24.607 8.878 1.00 0.00 H new ATOM 0 HG SER A 81 -22.442 23.920 8.280 1.00 0.00 H new ATOM 1351 N SER A 82 -23.112 27.030 10.924 1.00 0.00 N ATOM 1352 CA SER A 82 -24.317 27.843 11.047 1.00 0.00 C ATOM 1353 C SER A 82 -24.179 28.849 12.186 1.00 0.00 C ATOM 1354 O SER A 82 -23.973 28.474 13.339 1.00 0.00 O ATOM 1355 CB SER A 82 -25.537 26.951 11.283 1.00 0.00 C ATOM 1356 OG SER A 82 -25.448 26.285 12.531 1.00 0.00 O ATOM 0 H SER A 82 -23.036 26.281 11.612 1.00 0.00 H new ATOM 0 HA SER A 82 -24.453 28.392 10.115 1.00 0.00 H new ATOM 0 HB2 SER A 82 -26.444 27.555 11.253 1.00 0.00 H new ATOM 0 HB3 SER A 82 -25.616 26.218 10.481 1.00 0.00 H new ATOM 0 HG SER A 82 -24.848 26.782 13.125 1.00 0.00 H new ATOM 1362 N GLY A 83 -24.295 30.131 11.852 1.00 0.00 N ATOM 1363 CA GLY A 83 -24.182 31.172 12.856 1.00 0.00 C ATOM 1364 C GLY A 83 -24.729 32.502 12.377 1.00 0.00 C ATOM 1365 O GLY A 83 -24.834 33.453 13.152 1.00 0.00 O ATOM 0 H GLY A 83 -24.465 30.467 10.904 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -24.717 30.865 13.755 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -23.135 31.292 13.134 1.00 0.00 H new TER 1369 GLY A 83