USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 607 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 64 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 65 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0396 USER MOD Single : A 8 THR OG1 : rot 71:sc= 0.15 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc=7.68e-05 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -92:sc= 1.04 USER MOD Single : A 25 SER OG : rot 180:sc= 0.345 USER MOD Single : A 27 GLN : amide:sc=-0.00078 X(o=-0.00078,f=-0.052) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.473 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.14) USER MOD Single : A 50 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.6) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -87:sc= 1.14 USER MOD Single : A 58 SER OG : rot -50:sc= 0.261 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.633 K(o=-0.63,f=-3.4!) USER MOD Single : A 66 ASN : amide:sc= -1.42 K(o=-1.4,f=-3.6) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.29) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0304) USER MOD Single : A 83 SER OG : rot 9:sc= 1.05 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -137:sc= 1.24 USER MOD Single : A 87 ASN : amide:sc=-0.00939 K(o=-0.0094,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.156 -0.123 0.817 1.00 0.00 N ATOM 2 CA ALA A 1 2.272 0.120 -0.615 1.00 0.00 C ATOM 3 C ALA A 1 3.027 1.416 -0.893 1.00 0.00 C ATOM 4 O ALA A 1 2.420 2.472 -1.073 1.00 0.00 O ATOM 5 CB ALA A 1 0.894 0.162 -1.257 1.00 0.00 C ATOM 0 H1 ALA A 1 1.638 -1.011 0.978 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.106 -0.195 1.235 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.641 0.663 1.262 1.00 0.00 H new ATOM 0 HA ALA A 1 2.839 -0.701 -1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.996 0.344 -2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.389 -0.791 -1.098 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.307 0.963 -0.807 1.00 0.00 H new ATOM 11 N ILE A 2 4.352 1.328 -0.925 1.00 0.00 N ATOM 12 CA ILE A 2 5.189 2.494 -1.181 1.00 0.00 C ATOM 13 C ILE A 2 5.152 2.884 -2.655 1.00 0.00 C ATOM 14 O ILE A 2 5.585 2.123 -3.520 1.00 0.00 O ATOM 15 CB ILE A 2 6.650 2.241 -0.765 1.00 0.00 C ATOM 16 CG1 ILE A 2 6.734 1.958 0.737 1.00 0.00 C ATOM 17 CG2 ILE A 2 7.520 3.433 -1.133 1.00 0.00 C ATOM 18 CD1 ILE A 2 6.511 0.504 1.090 1.00 0.00 C ATOM 0 H ILE A 2 4.869 0.462 -0.777 1.00 0.00 H new ATOM 0 HA ILE A 2 4.785 3.310 -0.581 1.00 0.00 H new ATOM 0 HB ILE A 2 7.019 1.367 -1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.713 2.266 1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.994 2.567 1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.550 3.239 -0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.481 3.593 -2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.154 4.323 -0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.585 0.376 2.170 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.521 0.196 0.755 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.267 -0.110 0.600 1.00 0.00 H new ATOM 30 N SER A 3 4.634 4.076 -2.933 1.00 0.00 N ATOM 31 CA SER A 3 4.539 4.567 -4.302 1.00 0.00 C ATOM 32 C SER A 3 5.730 5.457 -4.644 1.00 0.00 C ATOM 33 O SER A 3 6.640 5.046 -5.365 1.00 0.00 O ATOM 34 CB SER A 3 3.235 5.344 -4.499 1.00 0.00 C ATOM 35 OG SER A 3 3.340 6.250 -5.583 1.00 0.00 O ATOM 0 H SER A 3 4.274 4.719 -2.228 1.00 0.00 H new ATOM 0 HA SER A 3 4.546 3.707 -4.971 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.417 4.647 -4.681 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.992 5.890 -3.587 1.00 0.00 H new ATOM 0 HG SER A 3 2.494 6.733 -5.689 1.00 0.00 H new ATOM 41 N CYS A 4 5.717 6.679 -4.122 1.00 0.00 N ATOM 42 CA CYS A 4 6.794 7.629 -4.371 1.00 0.00 C ATOM 43 C CYS A 4 6.583 8.912 -3.573 1.00 0.00 C ATOM 44 O CYS A 4 7.534 9.499 -3.057 1.00 0.00 O ATOM 45 CB CYS A 4 6.882 7.953 -5.864 1.00 0.00 C ATOM 46 SG CYS A 4 8.578 7.937 -6.530 1.00 0.00 S ATOM 0 H CYS A 4 4.972 7.035 -3.523 1.00 0.00 H new ATOM 0 HA CYS A 4 7.730 7.171 -4.049 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.279 7.233 -6.417 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.444 8.936 -6.038 1.00 0.00 H new ATOM 51 N GLY A 5 5.329 9.343 -3.475 1.00 0.00 N ATOM 52 CA GLY A 5 5.015 10.553 -2.738 1.00 0.00 C ATOM 53 C GLY A 5 5.492 10.496 -1.300 1.00 0.00 C ATOM 54 O GLY A 5 5.960 11.495 -0.754 1.00 0.00 O ATOM 0 H GLY A 5 4.525 8.875 -3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.473 11.407 -3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.937 10.715 -2.754 1.00 0.00 H new ATOM 58 N ALA A 6 5.372 9.324 -0.684 1.00 0.00 N ATOM 59 CA ALA A 6 5.795 9.141 0.699 1.00 0.00 C ATOM 60 C ALA A 6 7.315 9.164 0.816 1.00 0.00 C ATOM 61 O ALA A 6 7.863 9.558 1.845 1.00 0.00 O ATOM 62 CB ALA A 6 5.241 7.837 1.252 1.00 0.00 C ATOM 0 H ALA A 6 4.985 8.487 -1.121 1.00 0.00 H new ATOM 0 HA ALA A 6 5.399 9.969 1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.565 7.713 2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.152 7.859 1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.609 7.003 0.654 1.00 0.00 H new ATOM 68 N VAL A 7 7.992 8.738 -0.246 1.00 0.00 N ATOM 69 CA VAL A 7 9.450 8.711 -0.262 1.00 0.00 C ATOM 70 C VAL A 7 10.025 10.114 -0.419 1.00 0.00 C ATOM 71 O VAL A 7 10.989 10.481 0.253 1.00 0.00 O ATOM 72 CB VAL A 7 9.982 7.820 -1.401 1.00 0.00 C ATOM 73 CG1 VAL A 7 11.485 7.629 -1.272 1.00 0.00 C ATOM 74 CG2 VAL A 7 9.264 6.478 -1.406 1.00 0.00 C ATOM 0 H VAL A 7 7.554 8.407 -1.106 1.00 0.00 H new ATOM 0 HA VAL A 7 9.769 8.296 0.694 1.00 0.00 H new ATOM 0 HB VAL A 7 9.784 8.317 -2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.843 6.997 -2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.981 8.599 -1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.711 7.154 -0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.652 5.861 -2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.430 5.973 -0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.195 6.638 -1.551 1.00 0.00 H new ATOM 84 N THR A 8 9.426 10.896 -1.312 1.00 0.00 N ATOM 85 CA THR A 8 9.878 12.260 -1.559 1.00 0.00 C ATOM 86 C THR A 8 9.671 13.138 -0.330 1.00 0.00 C ATOM 87 O THR A 8 10.383 14.123 -0.132 1.00 0.00 O ATOM 88 CB THR A 8 9.140 12.888 -2.756 1.00 0.00 C ATOM 89 OG1 THR A 8 9.230 12.025 -3.895 1.00 0.00 O ATOM 90 CG2 THR A 8 9.725 14.250 -3.097 1.00 0.00 C ATOM 0 H THR A 8 8.627 10.608 -1.876 1.00 0.00 H new ATOM 0 HA THR A 8 10.942 12.205 -1.787 1.00 0.00 H new ATOM 0 HB THR A 8 8.093 13.018 -2.482 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.675 11.231 -3.748 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.188 14.675 -3.945 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.628 14.913 -2.237 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.779 14.140 -3.353 1.00 0.00 H new ATOM 98 N SER A 9 8.692 12.776 0.492 1.00 0.00 N ATOM 99 CA SER A 9 8.389 13.534 1.701 1.00 0.00 C ATOM 100 C SER A 9 9.571 13.513 2.665 1.00 0.00 C ATOM 101 O SER A 9 10.024 14.558 3.132 1.00 0.00 O ATOM 102 CB SER A 9 7.146 12.965 2.387 1.00 0.00 C ATOM 103 OG SER A 9 7.207 13.153 3.791 1.00 0.00 O ATOM 0 H SER A 9 8.095 11.963 0.343 1.00 0.00 H new ATOM 0 HA SER A 9 8.195 14.567 1.414 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.254 13.450 1.990 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.057 11.902 2.163 1.00 0.00 H new ATOM 0 HG SER A 9 6.400 12.782 4.206 1.00 0.00 H new ATOM 109 N ASP A 10 10.065 12.316 2.960 1.00 0.00 N ATOM 110 CA ASP A 10 11.195 12.157 3.868 1.00 0.00 C ATOM 111 C ASP A 10 12.503 12.529 3.178 1.00 0.00 C ATOM 112 O ASP A 10 13.530 12.719 3.831 1.00 0.00 O ATOM 113 CB ASP A 10 11.266 10.718 4.381 1.00 0.00 C ATOM 114 CG ASP A 10 9.893 10.109 4.590 1.00 0.00 C ATOM 115 OD1 ASP A 10 9.045 10.766 5.228 1.00 0.00 O ATOM 116 OD2 ASP A 10 9.668 8.975 4.117 1.00 0.00 O ATOM 0 H ASP A 10 9.701 11.441 2.583 1.00 0.00 H new ATOM 0 HA ASP A 10 11.047 12.829 4.713 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.826 10.109 3.671 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.816 10.697 5.322 1.00 0.00 H new ATOM 121 N LEU A 11 12.459 12.632 1.854 1.00 0.00 N ATOM 122 CA LEU A 11 13.642 12.980 1.074 1.00 0.00 C ATOM 123 C LEU A 11 13.985 14.458 1.236 1.00 0.00 C ATOM 124 O LEU A 11 15.156 14.831 1.297 1.00 0.00 O ATOM 125 CB LEU A 11 13.416 12.656 -0.404 1.00 0.00 C ATOM 126 CG LEU A 11 13.719 11.219 -0.830 1.00 0.00 C ATOM 127 CD1 LEU A 11 13.147 10.940 -2.211 1.00 0.00 C ATOM 128 CD2 LEU A 11 15.219 10.962 -0.809 1.00 0.00 C ATOM 0 H LEU A 11 11.617 12.480 1.298 1.00 0.00 H new ATOM 0 HA LEU A 11 14.479 12.389 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.377 12.875 -0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.032 13.328 -1.001 1.00 0.00 H new ATOM 0 HG LEU A 11 13.245 10.542 -0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.372 9.913 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.067 11.083 -2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.591 11.624 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.416 9.935 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.715 11.647 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.601 11.120 0.199 1.00 0.00 H new ATOM 140 N SER A 12 12.954 15.295 1.307 1.00 0.00 N ATOM 141 CA SER A 12 13.146 16.732 1.460 1.00 0.00 C ATOM 142 C SER A 12 14.006 17.038 2.683 1.00 0.00 C ATOM 143 O SER A 12 15.024 17.726 2.601 1.00 0.00 O ATOM 144 CB SER A 12 11.795 17.438 1.584 1.00 0.00 C ATOM 145 OG SER A 12 11.829 18.716 0.972 1.00 0.00 O ATOM 0 H SER A 12 11.978 15.002 1.261 1.00 0.00 H new ATOM 0 HA SER A 12 13.661 17.101 0.573 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.019 16.829 1.119 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.531 17.542 2.636 1.00 0.00 H new ATOM 0 HG SER A 12 10.953 19.146 1.063 1.00 0.00 H new ATOM 151 N PRO A 13 13.588 16.515 3.845 1.00 0.00 N ATOM 152 CA PRO A 13 14.305 16.718 5.107 1.00 0.00 C ATOM 153 C PRO A 13 15.638 15.979 5.142 1.00 0.00 C ATOM 154 O PRO A 13 16.569 16.390 5.835 1.00 0.00 O ATOM 155 CB PRO A 13 13.347 16.144 6.155 1.00 0.00 C ATOM 156 CG PRO A 13 12.527 15.146 5.412 1.00 0.00 C ATOM 157 CD PRO A 13 12.383 15.686 4.016 1.00 0.00 C ATOM 0 HA PRO A 13 14.557 17.766 5.269 1.00 0.00 H new ATOM 0 HB2 PRO A 13 13.892 15.677 6.976 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.723 16.924 6.590 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.012 14.170 5.405 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.552 15.014 5.882 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.338 14.885 3.278 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.472 16.274 3.904 1.00 0.00 H new ATOM 165 N CYS A 14 15.723 14.886 4.391 1.00 0.00 N ATOM 166 CA CYS A 14 16.943 14.089 4.335 1.00 0.00 C ATOM 167 C CYS A 14 17.941 14.690 3.350 1.00 0.00 C ATOM 168 O CYS A 14 19.126 14.354 3.366 1.00 0.00 O ATOM 169 CB CYS A 14 16.617 12.649 3.934 1.00 0.00 C ATOM 170 SG CYS A 14 15.945 11.634 5.288 1.00 0.00 S ATOM 0 H CYS A 14 14.961 14.532 3.813 1.00 0.00 H new ATOM 0 HA CYS A 14 17.394 14.090 5.327 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.898 12.665 3.115 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.522 12.175 3.554 1.00 0.00 H new ATOM 175 N LEU A 15 17.454 15.581 2.493 1.00 0.00 N ATOM 176 CA LEU A 15 18.303 16.230 1.500 1.00 0.00 C ATOM 177 C LEU A 15 19.347 17.117 2.172 1.00 0.00 C ATOM 178 O LEU A 15 20.533 17.056 1.846 1.00 0.00 O ATOM 179 CB LEU A 15 17.453 17.063 0.539 1.00 0.00 C ATOM 180 CG LEU A 15 16.980 16.350 -0.729 1.00 0.00 C ATOM 181 CD1 LEU A 15 16.157 17.291 -1.595 1.00 0.00 C ATOM 182 CD2 LEU A 15 18.168 15.806 -1.509 1.00 0.00 C ATOM 0 H LEU A 15 16.476 15.870 2.466 1.00 0.00 H new ATOM 0 HA LEU A 15 18.820 15.453 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.576 17.422 1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 15 18.028 17.941 0.245 1.00 0.00 H new ATOM 0 HG LEU A 15 16.348 15.512 -0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.829 16.766 -2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.286 17.632 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.765 18.150 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.813 15.302 -2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.826 16.628 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.717 15.098 -0.889 1.00 0.00 H new ATOM 194 N THR A 16 18.898 17.941 3.114 1.00 0.00 N ATOM 195 CA THR A 16 19.793 18.839 3.833 1.00 0.00 C ATOM 196 C THR A 16 20.996 18.087 4.389 1.00 0.00 C ATOM 197 O THR A 16 22.113 18.606 4.403 1.00 0.00 O ATOM 198 CB THR A 16 19.065 19.548 4.990 1.00 0.00 C ATOM 199 OG1 THR A 16 17.831 20.107 4.525 1.00 0.00 O ATOM 200 CG2 THR A 16 19.934 20.648 5.583 1.00 0.00 C ATOM 0 H THR A 16 17.920 18.005 3.397 1.00 0.00 H new ATOM 0 HA THR A 16 20.135 19.586 3.116 1.00 0.00 H new ATOM 0 HB THR A 16 18.859 18.810 5.766 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.374 20.554 5.268 1.00 0.00 H new ATOM 0 HG21 THR A 16 19.399 21.135 6.398 1.00 0.00 H new ATOM 0 HG22 THR A 16 20.859 20.215 5.963 1.00 0.00 H new ATOM 0 HG23 THR A 16 20.167 21.383 4.812 1.00 0.00 H new ATOM 208 N TYR A 17 20.763 16.862 4.846 1.00 0.00 N ATOM 209 CA TYR A 17 21.829 16.039 5.406 1.00 0.00 C ATOM 210 C TYR A 17 22.570 15.286 4.305 1.00 0.00 C ATOM 211 O TYR A 17 23.787 15.107 4.369 1.00 0.00 O ATOM 212 CB TYR A 17 21.257 15.049 6.422 1.00 0.00 C ATOM 213 CG TYR A 17 22.314 14.245 7.144 1.00 0.00 C ATOM 214 CD1 TYR A 17 23.248 14.865 7.965 1.00 0.00 C ATOM 215 CD2 TYR A 17 22.379 12.863 7.006 1.00 0.00 C ATOM 216 CE1 TYR A 17 24.215 14.135 8.626 1.00 0.00 C ATOM 217 CE2 TYR A 17 23.343 12.124 7.665 1.00 0.00 C ATOM 218 CZ TYR A 17 24.259 12.765 8.473 1.00 0.00 C ATOM 219 OH TYR A 17 25.221 12.033 9.132 1.00 0.00 O ATOM 0 H TYR A 17 19.845 16.417 4.840 1.00 0.00 H new ATOM 0 HA TYR A 17 22.536 16.698 5.910 1.00 0.00 H new ATOM 0 HB2 TYR A 17 20.664 15.596 7.155 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.580 14.366 5.910 1.00 0.00 H new ATOM 0 HD1 TYR A 17 23.217 15.938 8.088 1.00 0.00 H new ATOM 0 HD2 TYR A 17 21.664 12.359 6.373 1.00 0.00 H new ATOM 0 HE1 TYR A 17 24.933 14.634 9.260 1.00 0.00 H new ATOM 0 HE2 TYR A 17 23.379 11.051 7.548 1.00 0.00 H new ATOM 0 HH TYR A 17 25.113 11.083 8.918 1.00 0.00 H new ATOM 229 N LEU A 18 21.827 14.846 3.296 1.00 0.00 N ATOM 230 CA LEU A 18 22.412 14.111 2.179 1.00 0.00 C ATOM 231 C LEU A 18 23.253 15.033 1.302 1.00 0.00 C ATOM 232 O LEU A 18 23.973 14.577 0.413 1.00 0.00 O ATOM 233 CB LEU A 18 21.312 13.457 1.342 1.00 0.00 C ATOM 234 CG LEU A 18 20.809 12.100 1.837 1.00 0.00 C ATOM 235 CD1 LEU A 18 19.690 11.587 0.944 1.00 0.00 C ATOM 236 CD2 LEU A 18 21.951 11.096 1.894 1.00 0.00 C ATOM 0 H LEU A 18 20.819 14.985 3.228 1.00 0.00 H new ATOM 0 HA LEU A 18 23.061 13.335 2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.464 14.141 1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.682 13.336 0.324 1.00 0.00 H new ATOM 0 HG LEU A 18 20.413 12.227 2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 18 19.345 10.621 1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 18 18.862 12.296 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 18 20.060 11.476 -0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 18 21.574 10.136 2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.378 10.973 0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 18 22.720 11.458 2.576 1.00 0.00 H new ATOM 248 N THR A 19 23.159 16.334 1.559 1.00 0.00 N ATOM 249 CA THR A 19 23.912 17.321 0.795 1.00 0.00 C ATOM 250 C THR A 19 25.221 17.674 1.491 1.00 0.00 C ATOM 251 O THR A 19 26.106 18.287 0.897 1.00 0.00 O ATOM 252 CB THR A 19 23.094 18.608 0.580 1.00 0.00 C ATOM 253 OG1 THR A 19 22.392 18.949 1.781 1.00 0.00 O ATOM 254 CG2 THR A 19 22.103 18.436 -0.561 1.00 0.00 C ATOM 0 H THR A 19 22.568 16.729 2.291 1.00 0.00 H new ATOM 0 HA THR A 19 24.129 16.872 -0.174 1.00 0.00 H new ATOM 0 HB THR A 19 23.784 19.411 0.322 1.00 0.00 H new ATOM 0 HG1 THR A 19 21.495 18.554 1.759 1.00 0.00 H new ATOM 0 HG21 THR A 19 21.537 19.358 -0.694 1.00 0.00 H new ATOM 0 HG22 THR A 19 22.642 18.206 -1.480 1.00 0.00 H new ATOM 0 HG23 THR A 19 21.418 17.620 -0.328 1.00 0.00 H new ATOM 262 N GLY A 20 25.338 17.282 2.757 1.00 0.00 N ATOM 263 CA GLY A 20 26.543 17.566 3.513 1.00 0.00 C ATOM 264 C GLY A 20 26.312 18.587 4.610 1.00 0.00 C ATOM 265 O GLY A 20 27.256 19.033 5.261 1.00 0.00 O ATOM 0 H GLY A 20 24.619 16.773 3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 20 26.918 16.642 3.954 1.00 0.00 H new ATOM 0 HA3 GLY A 20 27.315 17.933 2.836 1.00 0.00 H new ATOM 269 N GLY A 21 25.052 18.961 4.813 1.00 0.00 N ATOM 270 CA GLY A 21 24.723 19.935 5.838 1.00 0.00 C ATOM 271 C GLY A 21 24.556 19.303 7.205 1.00 0.00 C ATOM 272 O GLY A 21 24.968 18.168 7.444 1.00 0.00 O ATOM 0 H GLY A 21 24.254 18.607 4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 21 25.508 20.690 5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.802 20.449 5.564 1.00 0.00 H new ATOM 276 N PRO A 22 23.938 20.049 8.134 1.00 0.00 N ATOM 277 CA PRO A 22 23.704 19.575 9.502 1.00 0.00 C ATOM 278 C PRO A 22 22.662 18.464 9.560 1.00 0.00 C ATOM 279 O PRO A 22 21.646 18.515 8.868 1.00 0.00 O ATOM 280 CB PRO A 22 23.195 20.824 10.226 1.00 0.00 C ATOM 281 CG PRO A 22 22.600 21.669 9.153 1.00 0.00 C ATOM 282 CD PRO A 22 23.420 21.410 7.920 1.00 0.00 C ATOM 0 HA PRO A 22 24.602 19.145 9.944 1.00 0.00 H new ATOM 0 HB2 PRO A 22 22.455 20.568 10.984 1.00 0.00 H new ATOM 0 HB3 PRO A 22 24.006 21.344 10.735 1.00 0.00 H new ATOM 0 HG2 PRO A 22 21.554 21.411 8.988 1.00 0.00 H new ATOM 0 HG3 PRO A 22 22.628 22.724 9.426 1.00 0.00 H new ATOM 0 HD2 PRO A 22 22.815 21.472 7.015 1.00 0.00 H new ATOM 0 HD3 PRO A 22 24.227 22.135 7.815 1.00 0.00 H new ATOM 290 N GLY A 23 22.921 17.459 10.391 1.00 0.00 N ATOM 291 CA GLY A 23 21.996 16.349 10.524 1.00 0.00 C ATOM 292 C GLY A 23 22.651 15.115 11.114 1.00 0.00 C ATOM 293 O GLY A 23 23.747 15.175 11.671 1.00 0.00 O ATOM 0 H GLY A 23 23.755 17.394 10.974 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.160 16.650 11.156 1.00 0.00 H new ATOM 0 HA3 GLY A 23 21.583 16.105 9.545 1.00 0.00 H new ATOM 297 N PRO A 24 21.970 13.965 10.995 1.00 0.00 N ATOM 298 CA PRO A 24 20.665 13.883 10.334 1.00 0.00 C ATOM 299 C PRO A 24 19.563 14.565 11.139 1.00 0.00 C ATOM 300 O PRO A 24 19.497 14.425 12.360 1.00 0.00 O ATOM 301 CB PRO A 24 20.407 12.377 10.244 1.00 0.00 C ATOM 302 CG PRO A 24 21.204 11.789 11.357 1.00 0.00 C ATOM 303 CD PRO A 24 22.424 12.657 11.496 1.00 0.00 C ATOM 0 HA PRO A 24 20.665 14.388 9.368 1.00 0.00 H new ATOM 0 HB2 PRO A 24 19.347 12.150 10.353 1.00 0.00 H new ATOM 0 HB3 PRO A 24 20.720 11.979 9.279 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.629 11.773 12.283 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.481 10.758 11.136 1.00 0.00 H new ATOM 0 HD2 PRO A 24 22.759 12.717 12.532 1.00 0.00 H new ATOM 0 HD3 PRO A 24 23.260 12.271 10.913 1.00 0.00 H new ATOM 311 N SER A 25 18.701 15.302 10.447 1.00 0.00 N ATOM 312 CA SER A 25 17.604 16.008 11.098 1.00 0.00 C ATOM 313 C SER A 25 16.632 15.025 11.744 1.00 0.00 C ATOM 314 O SER A 25 16.618 13.833 11.435 1.00 0.00 O ATOM 315 CB SER A 25 16.863 16.886 10.088 1.00 0.00 C ATOM 316 OG SER A 25 15.760 16.196 9.525 1.00 0.00 O ATOM 0 H SER A 25 18.741 15.426 9.435 1.00 0.00 H new ATOM 0 HA SER A 25 18.025 16.641 11.879 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.515 17.795 10.578 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.547 17.192 9.296 1.00 0.00 H new ATOM 0 HG SER A 25 15.302 16.779 8.884 1.00 0.00 H new ATOM 322 N PRO A 26 15.798 15.535 12.662 1.00 0.00 N ATOM 323 CA PRO A 26 14.807 14.720 13.371 1.00 0.00 C ATOM 324 C PRO A 26 13.676 14.260 12.458 1.00 0.00 C ATOM 325 O PRO A 26 13.245 13.109 12.522 1.00 0.00 O ATOM 326 CB PRO A 26 14.273 15.668 14.448 1.00 0.00 C ATOM 327 CG PRO A 26 14.500 17.034 13.896 1.00 0.00 C ATOM 328 CD PRO A 26 15.759 16.947 13.080 1.00 0.00 C ATOM 0 HA PRO A 26 15.242 13.803 13.769 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.215 15.490 14.643 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.799 15.530 15.393 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.658 17.351 13.281 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.604 17.766 14.697 1.00 0.00 H new ATOM 0 HD2 PRO A 26 15.729 17.619 12.222 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.637 17.217 13.666 1.00 0.00 H new ATOM 336 N GLN A 27 13.200 15.166 11.610 1.00 0.00 N ATOM 337 CA GLN A 27 12.118 14.851 10.684 1.00 0.00 C ATOM 338 C GLN A 27 12.557 13.799 9.671 1.00 0.00 C ATOM 339 O GLN A 27 11.769 12.944 9.266 1.00 0.00 O ATOM 340 CB GLN A 27 11.657 16.115 9.957 1.00 0.00 C ATOM 341 CG GLN A 27 10.607 16.907 10.719 1.00 0.00 C ATOM 342 CD GLN A 27 11.025 18.342 10.969 1.00 0.00 C ATOM 343 OE1 GLN A 27 11.384 19.067 10.041 1.00 0.00 O ATOM 344 NE2 GLN A 27 10.982 18.761 12.229 1.00 0.00 N ATOM 0 H GLN A 27 13.546 16.123 11.545 1.00 0.00 H new ATOM 0 HA GLN A 27 11.286 14.448 11.261 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.521 16.754 9.775 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.254 15.837 8.983 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.673 16.897 10.158 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.411 16.418 11.673 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.678 18.126 12.967 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.253 19.717 12.458 1.00 0.00 H new ATOM 353 N CYS A 28 13.821 13.867 9.265 1.00 0.00 N ATOM 354 CA CYS A 28 14.366 12.921 8.299 1.00 0.00 C ATOM 355 C CYS A 28 14.391 11.508 8.875 1.00 0.00 C ATOM 356 O CYS A 28 13.912 10.562 8.249 1.00 0.00 O ATOM 357 CB CYS A 28 15.778 13.340 7.884 1.00 0.00 C ATOM 358 SG CYS A 28 16.718 12.036 7.027 1.00 0.00 S ATOM 0 H CYS A 28 14.487 14.568 9.590 1.00 0.00 H new ATOM 0 HA CYS A 28 13.720 12.925 7.421 1.00 0.00 H new ATOM 0 HB2 CYS A 28 15.710 14.212 7.233 1.00 0.00 H new ATOM 0 HB3 CYS A 28 16.330 13.647 8.772 1.00 0.00 H new ATOM 363 N CYS A 29 14.952 11.373 10.072 1.00 0.00 N ATOM 364 CA CYS A 29 15.041 10.077 10.734 1.00 0.00 C ATOM 365 C CYS A 29 13.676 9.396 10.781 1.00 0.00 C ATOM 366 O CYS A 29 13.536 8.235 10.399 1.00 0.00 O ATOM 367 CB CYS A 29 15.591 10.242 12.152 1.00 0.00 C ATOM 368 SG CYS A 29 17.383 10.560 12.222 1.00 0.00 S ATOM 0 H CYS A 29 15.352 12.146 10.604 1.00 0.00 H new ATOM 0 HA CYS A 29 15.721 9.449 10.159 1.00 0.00 H new ATOM 0 HB2 CYS A 29 15.068 11.064 12.640 1.00 0.00 H new ATOM 0 HB3 CYS A 29 15.370 9.340 12.723 1.00 0.00 H new ATOM 373 N GLY A 30 12.672 10.128 11.254 1.00 0.00 N ATOM 374 CA GLY A 30 11.331 9.579 11.343 1.00 0.00 C ATOM 375 C GLY A 30 10.839 9.033 10.017 1.00 0.00 C ATOM 376 O GLY A 30 10.279 7.939 9.958 1.00 0.00 O ATOM 0 H GLY A 30 12.763 11.091 11.577 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.316 8.783 12.088 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.647 10.353 11.690 1.00 0.00 H new ATOM 380 N GLY A 31 11.048 9.797 8.950 1.00 0.00 N ATOM 381 CA GLY A 31 10.613 9.367 7.633 1.00 0.00 C ATOM 382 C GLY A 31 11.396 8.172 7.126 1.00 0.00 C ATOM 383 O GLY A 31 10.825 7.249 6.545 1.00 0.00 O ATOM 0 H GLY A 31 11.511 10.706 8.973 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.553 9.115 7.668 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.721 10.193 6.930 1.00 0.00 H new ATOM 387 N VAL A 32 12.707 8.188 7.346 1.00 0.00 N ATOM 388 CA VAL A 32 13.569 7.098 6.906 1.00 0.00 C ATOM 389 C VAL A 32 13.078 5.758 7.445 1.00 0.00 C ATOM 390 O VAL A 32 12.762 4.847 6.679 1.00 0.00 O ATOM 391 CB VAL A 32 15.025 7.317 7.357 1.00 0.00 C ATOM 392 CG1 VAL A 32 15.906 6.167 6.895 1.00 0.00 C ATOM 393 CG2 VAL A 32 15.550 8.645 6.834 1.00 0.00 C ATOM 0 H VAL A 32 13.195 8.944 7.826 1.00 0.00 H new ATOM 0 HA VAL A 32 13.532 7.085 5.817 1.00 0.00 H new ATOM 0 HB VAL A 32 15.049 7.346 8.446 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.931 6.339 7.223 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.540 5.234 7.323 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.879 6.102 5.807 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.580 8.784 7.162 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.513 8.647 5.745 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.934 9.457 7.220 1.00 0.00 H new ATOM 403 N LYS A 33 13.016 5.645 8.767 1.00 0.00 N ATOM 404 CA LYS A 33 12.562 4.418 9.410 1.00 0.00 C ATOM 405 C LYS A 33 11.155 4.050 8.949 1.00 0.00 C ATOM 406 O LYS A 33 10.751 2.890 9.019 1.00 0.00 O ATOM 407 CB LYS A 33 12.586 4.576 10.932 1.00 0.00 C ATOM 408 CG LYS A 33 13.959 4.358 11.545 1.00 0.00 C ATOM 409 CD LYS A 33 13.964 4.680 13.030 1.00 0.00 C ATOM 410 CE LYS A 33 14.945 3.798 13.787 1.00 0.00 C ATOM 411 NZ LYS A 33 14.261 2.955 14.806 1.00 0.00 N ATOM 0 H LYS A 33 13.275 6.389 9.415 1.00 0.00 H new ATOM 0 HA LYS A 33 13.241 3.615 9.123 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.237 5.576 11.191 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.884 3.869 11.373 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.265 3.323 11.395 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.690 4.984 11.034 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.227 5.728 13.176 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.962 4.544 13.437 1.00 0.00 H new ATOM 0 HE2 LYS A 33 15.476 3.157 13.083 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.693 4.423 14.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.964 2.369 15.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.776 3.566 15.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.565 2.340 14.338 1.00 0.00 H new ATOM 425 N LYS A 34 10.414 5.046 8.475 1.00 0.00 N ATOM 426 CA LYS A 34 9.053 4.828 7.999 1.00 0.00 C ATOM 427 C LYS A 34 9.057 4.148 6.634 1.00 0.00 C ATOM 428 O LYS A 34 8.246 3.259 6.370 1.00 0.00 O ATOM 429 CB LYS A 34 8.300 6.158 7.916 1.00 0.00 C ATOM 430 CG LYS A 34 6.790 6.001 7.875 1.00 0.00 C ATOM 431 CD LYS A 34 6.166 6.255 9.237 1.00 0.00 C ATOM 432 CE LYS A 34 4.662 6.459 9.131 1.00 0.00 C ATOM 433 NZ LYS A 34 3.905 5.301 9.682 1.00 0.00 N ATOM 0 H LYS A 34 10.733 6.013 8.410 1.00 0.00 H new ATOM 0 HA LYS A 34 8.546 4.175 8.710 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.570 6.773 8.775 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.625 6.695 7.025 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.371 6.695 7.147 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.537 4.995 7.540 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.375 5.413 9.897 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.623 7.135 9.689 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.380 7.365 9.667 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.388 6.608 8.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.884 5.479 9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.155 4.440 9.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.146 5.174 10.686 1.00 0.00 H new ATOM 447 N LEU A 35 9.974 4.569 5.771 1.00 0.00 N ATOM 448 CA LEU A 35 10.084 3.999 4.432 1.00 0.00 C ATOM 449 C LEU A 35 10.497 2.532 4.498 1.00 0.00 C ATOM 450 O LEU A 35 10.040 1.712 3.701 1.00 0.00 O ATOM 451 CB LEU A 35 11.097 4.790 3.602 1.00 0.00 C ATOM 452 CG LEU A 35 11.088 4.519 2.097 1.00 0.00 C ATOM 453 CD1 LEU A 35 11.724 5.676 1.343 1.00 0.00 C ATOM 454 CD2 LEU A 35 11.809 3.215 1.785 1.00 0.00 C ATOM 0 H LEU A 35 10.653 5.303 5.974 1.00 0.00 H new ATOM 0 HA LEU A 35 9.106 4.061 3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.916 5.853 3.761 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.095 4.576 3.984 1.00 0.00 H new ATOM 0 HG LEU A 35 10.052 4.425 1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.709 5.466 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.165 6.590 1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.755 5.803 1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.793 3.038 0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.842 3.280 2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.309 2.392 2.295 1.00 0.00 H new ATOM 466 N LEU A 36 11.362 2.209 5.452 1.00 0.00 N ATOM 467 CA LEU A 36 11.835 0.839 5.624 1.00 0.00 C ATOM 468 C LEU A 36 10.837 0.015 6.431 1.00 0.00 C ATOM 469 O LEU A 36 10.783 -1.208 6.307 1.00 0.00 O ATOM 470 CB LEU A 36 13.198 0.833 6.318 1.00 0.00 C ATOM 471 CG LEU A 36 14.235 1.815 5.770 1.00 0.00 C ATOM 472 CD1 LEU A 36 15.483 1.814 6.639 1.00 0.00 C ATOM 473 CD2 LEU A 36 14.586 1.472 4.330 1.00 0.00 C ATOM 0 H LEU A 36 11.751 2.876 6.119 1.00 0.00 H new ATOM 0 HA LEU A 36 11.935 0.389 4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 36 13.046 1.049 7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.611 -0.174 6.255 1.00 0.00 H new ATOM 0 HG LEU A 36 13.804 2.816 5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.209 2.518 6.234 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.219 2.109 7.655 1.00 0.00 H new ATOM 0 HD13 LEU A 36 15.916 0.814 6.652 1.00 0.00 H new ATOM 0 HD21 LEU A 36 15.325 2.181 3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 36 14.997 0.463 4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.688 1.526 3.714 1.00 0.00 H new ATOM 485 N ALA A 37 10.047 0.694 7.256 1.00 0.00 N ATOM 486 CA ALA A 37 9.048 0.026 8.080 1.00 0.00 C ATOM 487 C ALA A 37 7.817 -0.344 7.258 1.00 0.00 C ATOM 488 O ALA A 37 7.213 -1.396 7.467 1.00 0.00 O ATOM 489 CB ALA A 37 8.655 0.910 9.254 1.00 0.00 C ATOM 0 H ALA A 37 10.080 1.707 7.371 1.00 0.00 H new ATOM 0 HA ALA A 37 9.487 -0.895 8.464 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.908 0.398 9.861 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.535 1.120 9.862 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.240 1.846 8.881 1.00 0.00 H new ATOM 495 N ALA A 38 7.451 0.528 6.325 1.00 0.00 N ATOM 496 CA ALA A 38 6.293 0.292 5.471 1.00 0.00 C ATOM 497 C ALA A 38 6.624 -0.698 4.359 1.00 0.00 C ATOM 498 O ALA A 38 5.756 -1.073 3.571 1.00 0.00 O ATOM 499 CB ALA A 38 5.795 1.603 4.882 1.00 0.00 C ATOM 0 H ALA A 38 7.939 1.404 6.141 1.00 0.00 H new ATOM 0 HA ALA A 38 5.503 -0.141 6.084 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.930 1.411 4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.510 2.279 5.688 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.587 2.059 4.288 1.00 0.00 H new ATOM 505 N ALA A 39 7.884 -1.116 4.300 1.00 0.00 N ATOM 506 CA ALA A 39 8.329 -2.063 3.285 1.00 0.00 C ATOM 507 C ALA A 39 8.985 -3.283 3.922 1.00 0.00 C ATOM 508 O ALA A 39 10.210 -3.392 3.958 1.00 0.00 O ATOM 509 CB ALA A 39 9.291 -1.387 2.319 1.00 0.00 C ATOM 0 H ALA A 39 8.615 -0.813 4.944 1.00 0.00 H new ATOM 0 HA ALA A 39 7.454 -2.402 2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.616 -2.105 1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.789 -0.552 1.831 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.158 -1.019 2.867 1.00 0.00 H new ATOM 515 N ASN A 40 8.162 -4.197 4.425 1.00 0.00 N ATOM 516 CA ASN A 40 8.663 -5.409 5.062 1.00 0.00 C ATOM 517 C ASN A 40 9.046 -6.454 4.018 1.00 0.00 C ATOM 518 O ASN A 40 10.037 -7.169 4.172 1.00 0.00 O ATOM 519 CB ASN A 40 7.611 -5.983 6.012 1.00 0.00 C ATOM 520 CG ASN A 40 7.935 -7.400 6.446 1.00 0.00 C ATOM 521 OD1 ASN A 40 9.001 -7.662 7.004 1.00 0.00 O ATOM 522 ND2 ASN A 40 7.014 -8.322 6.190 1.00 0.00 N ATOM 0 H ASN A 40 7.145 -4.121 4.404 1.00 0.00 H new ATOM 0 HA ASN A 40 9.554 -5.148 5.633 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.534 -5.345 6.892 1.00 0.00 H new ATOM 0 HB3 ASN A 40 6.637 -5.970 5.522 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.176 -9.293 6.458 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.145 -8.059 5.725 1.00 0.00 H new ATOM 529 N THR A 41 8.254 -6.537 2.953 1.00 0.00 N ATOM 530 CA THR A 41 8.508 -7.494 1.884 1.00 0.00 C ATOM 531 C THR A 41 9.497 -6.933 0.868 1.00 0.00 C ATOM 532 O THR A 41 10.059 -5.854 1.062 1.00 0.00 O ATOM 533 CB THR A 41 7.207 -7.883 1.157 1.00 0.00 C ATOM 534 OG1 THR A 41 6.734 -6.780 0.376 1.00 0.00 O ATOM 535 CG2 THR A 41 6.137 -8.304 2.152 1.00 0.00 C ATOM 0 H THR A 41 7.431 -5.952 2.808 1.00 0.00 H new ATOM 0 HA THR A 41 8.934 -8.383 2.350 1.00 0.00 H new ATOM 0 HB THR A 41 7.421 -8.726 0.500 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.908 -7.036 -0.084 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.227 -8.574 1.616 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.489 -9.162 2.724 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.926 -7.478 2.831 1.00 0.00 H new ATOM 543 N THR A 42 9.705 -7.671 -0.218 1.00 0.00 N ATOM 544 CA THR A 42 10.626 -7.247 -1.265 1.00 0.00 C ATOM 545 C THR A 42 9.961 -6.255 -2.213 1.00 0.00 C ATOM 546 O THR A 42 10.501 -5.190 -2.514 1.00 0.00 O ATOM 547 CB THR A 42 11.144 -8.448 -2.078 1.00 0.00 C ATOM 548 OG1 THR A 42 11.136 -9.628 -1.267 1.00 0.00 O ATOM 549 CG2 THR A 42 12.552 -8.188 -2.590 1.00 0.00 C ATOM 0 H THR A 42 9.248 -8.565 -0.395 1.00 0.00 H new ATOM 0 HA THR A 42 11.468 -6.764 -0.769 1.00 0.00 H new ATOM 0 HB THR A 42 10.484 -8.591 -2.934 1.00 0.00 H new ATOM 0 HG1 THR A 42 11.465 -10.388 -1.791 1.00 0.00 H new ATOM 0 HG21 THR A 42 12.896 -9.050 -3.161 1.00 0.00 H new ATOM 0 HG22 THR A 42 12.549 -7.306 -3.230 1.00 0.00 H new ATOM 0 HG23 THR A 42 13.221 -8.021 -1.746 1.00 0.00 H new ATOM 557 N PRO A 43 8.762 -6.610 -2.697 1.00 0.00 N ATOM 558 CA PRO A 43 7.997 -5.763 -3.617 1.00 0.00 C ATOM 559 C PRO A 43 7.916 -4.316 -3.143 1.00 0.00 C ATOM 560 O PRO A 43 8.137 -3.385 -3.918 1.00 0.00 O ATOM 561 CB PRO A 43 6.607 -6.404 -3.617 1.00 0.00 C ATOM 562 CG PRO A 43 6.848 -7.831 -3.262 1.00 0.00 C ATOM 563 CD PRO A 43 8.059 -7.864 -2.381 1.00 0.00 C ATOM 0 HA PRO A 43 8.459 -5.713 -4.603 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.949 -5.922 -2.894 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.129 -6.314 -4.593 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.984 -8.251 -2.747 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.007 -8.430 -4.159 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.785 -7.914 -1.327 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.681 -8.734 -2.590 1.00 0.00 H new ATOM 571 N ASP A 44 7.600 -4.134 -1.866 1.00 0.00 N ATOM 572 CA ASP A 44 7.491 -2.800 -1.287 1.00 0.00 C ATOM 573 C ASP A 44 8.843 -2.093 -1.296 1.00 0.00 C ATOM 574 O ASP A 44 8.947 -0.936 -1.705 1.00 0.00 O ATOM 575 CB ASP A 44 6.954 -2.882 0.142 1.00 0.00 C ATOM 576 CG ASP A 44 5.441 -2.809 0.197 1.00 0.00 C ATOM 577 OD1 ASP A 44 4.848 -2.127 -0.665 1.00 0.00 O ATOM 578 OD2 ASP A 44 4.849 -3.434 1.102 1.00 0.00 O ATOM 0 H ASP A 44 7.415 -4.894 -1.211 1.00 0.00 H new ATOM 0 HA ASP A 44 6.794 -2.223 -1.895 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.287 -3.814 0.599 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.376 -2.069 0.733 1.00 0.00 H new ATOM 583 N ARG A 45 9.875 -2.795 -0.840 1.00 0.00 N ATOM 584 CA ARG A 45 11.220 -2.233 -0.793 1.00 0.00 C ATOM 585 C ARG A 45 11.712 -1.882 -2.194 1.00 0.00 C ATOM 586 O ARG A 45 12.503 -0.956 -2.370 1.00 0.00 O ATOM 587 CB ARG A 45 12.185 -3.221 -0.135 1.00 0.00 C ATOM 588 CG ARG A 45 12.293 -3.054 1.372 1.00 0.00 C ATOM 589 CD ARG A 45 13.723 -2.765 1.800 1.00 0.00 C ATOM 590 NE ARG A 45 14.071 -1.357 1.632 1.00 0.00 N ATOM 591 CZ ARG A 45 15.321 -0.912 1.563 1.00 0.00 C ATOM 592 NH1 ARG A 45 16.336 -1.761 1.646 1.00 0.00 N ATOM 593 NH2 ARG A 45 15.557 0.385 1.409 1.00 0.00 N ATOM 0 H ARG A 45 9.806 -3.753 -0.498 1.00 0.00 H new ATOM 0 HA ARG A 45 11.185 -1.319 -0.200 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.859 -4.237 -0.357 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.174 -3.100 -0.577 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.644 -2.241 1.696 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.940 -3.960 1.866 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.853 -3.048 2.844 1.00 0.00 H new ATOM 0 HD3 ARG A 45 14.408 -3.380 1.215 1.00 0.00 H new ATOM 0 HE ARG A 45 13.313 -0.678 1.564 1.00 0.00 H new ATOM 0 HH11 ARG A 45 16.158 -2.759 1.763 1.00 0.00 H new ATOM 0 HH12 ARG A 45 17.295 -1.417 1.593 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.778 1.041 1.344 1.00 0.00 H new ATOM 0 HH22 ARG A 45 16.517 0.726 1.356 1.00 0.00 H new ATOM 607 N GLN A 46 11.238 -2.629 -3.187 1.00 0.00 N ATOM 608 CA GLN A 46 11.631 -2.397 -4.571 1.00 0.00 C ATOM 609 C GLN A 46 11.125 -1.044 -5.062 1.00 0.00 C ATOM 610 O GLN A 46 11.884 -0.252 -5.620 1.00 0.00 O ATOM 611 CB GLN A 46 11.093 -3.512 -5.470 1.00 0.00 C ATOM 612 CG GLN A 46 12.050 -4.683 -5.626 1.00 0.00 C ATOM 613 CD GLN A 46 11.507 -5.763 -6.540 1.00 0.00 C ATOM 614 OE1 GLN A 46 11.001 -5.477 -7.626 1.00 0.00 O ATOM 615 NE2 GLN A 46 11.608 -7.013 -6.105 1.00 0.00 N ATOM 0 H GLN A 46 10.582 -3.399 -3.058 1.00 0.00 H new ATOM 0 HA GLN A 46 12.720 -2.396 -4.617 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.151 -3.876 -5.059 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.873 -3.099 -6.455 1.00 0.00 H new ATOM 0 HG2 GLN A 46 12.999 -4.321 -6.021 1.00 0.00 H new ATOM 0 HG3 GLN A 46 12.256 -5.112 -4.645 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.035 -7.205 -5.199 1.00 0.00 H new ATOM 0 HE22 GLN A 46 11.259 -7.782 -6.677 1.00 0.00 H new ATOM 624 N ALA A 47 9.839 -0.787 -4.849 1.00 0.00 N ATOM 625 CA ALA A 47 9.232 0.471 -5.268 1.00 0.00 C ATOM 626 C ALA A 47 9.961 1.662 -4.656 1.00 0.00 C ATOM 627 O ALA A 47 10.449 2.537 -5.371 1.00 0.00 O ATOM 628 CB ALA A 47 7.759 0.499 -4.887 1.00 0.00 C ATOM 0 H ALA A 47 9.197 -1.433 -4.389 1.00 0.00 H new ATOM 0 HA ALA A 47 9.317 0.544 -6.352 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.319 1.444 -5.206 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.241 -0.326 -5.376 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.661 0.399 -3.806 1.00 0.00 H new ATOM 634 N ALA A 48 10.031 1.690 -3.329 1.00 0.00 N ATOM 635 CA ALA A 48 10.701 2.774 -2.622 1.00 0.00 C ATOM 636 C ALA A 48 12.138 2.939 -3.105 1.00 0.00 C ATOM 637 O ALA A 48 12.550 4.031 -3.498 1.00 0.00 O ATOM 638 CB ALA A 48 10.673 2.522 -1.121 1.00 0.00 C ATOM 0 H ALA A 48 9.632 0.974 -2.722 1.00 0.00 H new ATOM 0 HA ALA A 48 10.165 3.699 -2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.177 3.339 -0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.639 2.461 -0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.183 1.584 -0.900 1.00 0.00 H new ATOM 644 N CYS A 49 12.897 1.848 -3.074 1.00 0.00 N ATOM 645 CA CYS A 49 14.288 1.872 -3.507 1.00 0.00 C ATOM 646 C CYS A 49 14.426 2.573 -4.856 1.00 0.00 C ATOM 647 O CYS A 49 15.370 3.329 -5.080 1.00 0.00 O ATOM 648 CB CYS A 49 14.839 0.447 -3.602 1.00 0.00 C ATOM 649 SG CYS A 49 15.492 -0.204 -2.031 1.00 0.00 S ATOM 0 H CYS A 49 12.571 0.936 -2.753 1.00 0.00 H new ATOM 0 HA CYS A 49 14.863 2.429 -2.767 1.00 0.00 H new ATOM 0 HB2 CYS A 49 14.048 -0.214 -3.956 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.632 0.425 -4.350 1.00 0.00 H new ATOM 654 N ASN A 50 13.477 2.315 -5.750 1.00 0.00 N ATOM 655 CA ASN A 50 13.493 2.921 -7.077 1.00 0.00 C ATOM 656 C ASN A 50 13.358 4.438 -6.983 1.00 0.00 C ATOM 657 O ASN A 50 14.043 5.178 -7.691 1.00 0.00 O ATOM 658 CB ASN A 50 12.362 2.350 -7.934 1.00 0.00 C ATOM 659 CG ASN A 50 12.481 0.850 -8.123 1.00 0.00 C ATOM 660 OD1 ASN A 50 13.582 0.299 -8.128 1.00 0.00 O ATOM 661 ND2 ASN A 50 11.344 0.181 -8.280 1.00 0.00 N ATOM 0 H ASN A 50 12.688 1.691 -5.580 1.00 0.00 H new ATOM 0 HA ASN A 50 14.449 2.687 -7.545 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.404 2.580 -7.467 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.367 2.838 -8.909 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.361 -0.830 -8.411 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.454 0.679 -8.269 1.00 0.00 H new ATOM 668 N CYS A 51 12.472 4.895 -6.105 1.00 0.00 N ATOM 669 CA CYS A 51 12.247 6.323 -5.918 1.00 0.00 C ATOM 670 C CYS A 51 13.434 6.973 -5.212 1.00 0.00 C ATOM 671 O CYS A 51 13.811 8.104 -5.520 1.00 0.00 O ATOM 672 CB CYS A 51 10.968 6.558 -5.111 1.00 0.00 C ATOM 673 SG CYS A 51 9.435 6.212 -6.032 1.00 0.00 S ATOM 0 H CYS A 51 11.898 4.297 -5.511 1.00 0.00 H new ATOM 0 HA CYS A 51 12.137 6.780 -6.901 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.993 5.931 -4.220 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.950 7.594 -4.772 1.00 0.00 H new ATOM 678 N LEU A 52 14.018 6.250 -4.262 1.00 0.00 N ATOM 679 CA LEU A 52 15.162 6.755 -3.511 1.00 0.00 C ATOM 680 C LEU A 52 16.400 6.843 -4.398 1.00 0.00 C ATOM 681 O LEU A 52 17.049 7.886 -4.476 1.00 0.00 O ATOM 682 CB LEU A 52 15.445 5.854 -2.308 1.00 0.00 C ATOM 683 CG LEU A 52 14.728 6.222 -1.009 1.00 0.00 C ATOM 684 CD1 LEU A 52 15.023 5.196 0.073 1.00 0.00 C ATOM 685 CD2 LEU A 52 15.136 7.615 -0.552 1.00 0.00 C ATOM 0 H LEU A 52 13.718 5.313 -3.994 1.00 0.00 H new ATOM 0 HA LEU A 52 14.920 7.757 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.172 4.832 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 52 16.519 5.859 -2.121 1.00 0.00 H new ATOM 0 HG LEU A 52 13.654 6.222 -1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.504 5.475 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 52 14.680 4.214 -0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 52 16.096 5.162 0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.616 7.861 0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.212 7.641 -0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.872 8.342 -1.320 1.00 0.00 H new ATOM 697 N LYS A 53 16.720 5.741 -5.069 1.00 0.00 N ATOM 698 CA LYS A 53 17.878 5.693 -5.954 1.00 0.00 C ATOM 699 C LYS A 53 17.865 6.864 -6.930 1.00 0.00 C ATOM 700 O LYS A 53 18.899 7.479 -7.191 1.00 0.00 O ATOM 701 CB LYS A 53 17.900 4.372 -6.726 1.00 0.00 C ATOM 702 CG LYS A 53 19.300 3.888 -7.064 1.00 0.00 C ATOM 703 CD LYS A 53 19.388 2.371 -7.038 1.00 0.00 C ATOM 704 CE LYS A 53 18.563 1.746 -8.152 1.00 0.00 C ATOM 705 NZ LYS A 53 17.332 1.090 -7.631 1.00 0.00 N ATOM 0 H LYS A 53 16.193 4.869 -5.017 1.00 0.00 H new ATOM 0 HA LYS A 53 18.776 5.764 -5.341 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.393 3.608 -6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.333 4.491 -7.649 1.00 0.00 H new ATOM 0 HG2 LYS A 53 19.583 4.253 -8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 53 20.012 4.307 -6.353 1.00 0.00 H new ATOM 0 HD2 LYS A 53 20.429 2.064 -7.139 1.00 0.00 H new ATOM 0 HD3 LYS A 53 19.039 2.002 -6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.287 2.514 -8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.168 1.012 -8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.798 0.677 -8.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.596 0.339 -6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.742 1.795 -7.146 1.00 0.00 H new ATOM 719 N SER A 54 16.687 7.169 -7.467 1.00 0.00 N ATOM 720 CA SER A 54 16.541 8.266 -8.417 1.00 0.00 C ATOM 721 C SER A 54 16.689 9.614 -7.717 1.00 0.00 C ATOM 722 O SER A 54 17.154 10.586 -8.311 1.00 0.00 O ATOM 723 CB SER A 54 15.182 8.187 -9.114 1.00 0.00 C ATOM 724 OG SER A 54 14.154 7.868 -8.192 1.00 0.00 O ATOM 0 H SER A 54 15.821 6.672 -7.260 1.00 0.00 H new ATOM 0 HA SER A 54 17.330 8.175 -9.164 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.961 9.140 -9.595 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.216 7.433 -9.900 1.00 0.00 H new ATOM 0 HG SER A 54 14.079 6.894 -8.110 1.00 0.00 H new ATOM 730 N ALA A 55 16.290 9.663 -6.450 1.00 0.00 N ATOM 731 CA ALA A 55 16.379 10.889 -5.668 1.00 0.00 C ATOM 732 C ALA A 55 17.823 11.189 -5.281 1.00 0.00 C ATOM 733 O ALA A 55 18.355 12.251 -5.605 1.00 0.00 O ATOM 734 CB ALA A 55 15.508 10.787 -4.425 1.00 0.00 C ATOM 0 H ALA A 55 15.902 8.867 -5.944 1.00 0.00 H new ATOM 0 HA ALA A 55 16.017 11.711 -6.285 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.584 11.710 -3.850 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.471 10.628 -4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 55 15.844 9.950 -3.813 1.00 0.00 H new ATOM 740 N ALA A 56 18.453 10.248 -4.586 1.00 0.00 N ATOM 741 CA ALA A 56 19.836 10.411 -4.157 1.00 0.00 C ATOM 742 C ALA A 56 20.778 10.481 -5.354 1.00 0.00 C ATOM 743 O ALA A 56 21.895 10.987 -5.249 1.00 0.00 O ATOM 744 CB ALA A 56 20.239 9.274 -3.230 1.00 0.00 C ATOM 0 H ALA A 56 18.027 9.364 -4.308 1.00 0.00 H new ATOM 0 HA ALA A 56 19.913 11.352 -3.613 1.00 0.00 H new ATOM 0 HB1 ALA A 56 21.275 9.409 -2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.592 9.273 -2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 56 20.139 8.324 -3.755 1.00 0.00 H new ATOM 750 N GLY A 57 20.321 9.967 -6.492 1.00 0.00 N ATOM 751 CA GLY A 57 21.136 9.981 -7.692 1.00 0.00 C ATOM 752 C GLY A 57 21.359 11.381 -8.227 1.00 0.00 C ATOM 753 O GLY A 57 22.245 11.605 -9.051 1.00 0.00 O ATOM 0 H GLY A 57 19.401 9.541 -6.604 1.00 0.00 H new ATOM 0 HA2 GLY A 57 22.100 9.520 -7.478 1.00 0.00 H new ATOM 0 HA3 GLY A 57 20.656 9.374 -8.460 1.00 0.00 H new ATOM 757 N SER A 58 20.551 12.327 -7.758 1.00 0.00 N ATOM 758 CA SER A 58 20.660 13.713 -8.199 1.00 0.00 C ATOM 759 C SER A 58 21.340 14.569 -7.135 1.00 0.00 C ATOM 760 O SER A 58 21.178 15.790 -7.108 1.00 0.00 O ATOM 761 CB SER A 58 19.275 14.280 -8.517 1.00 0.00 C ATOM 762 OG SER A 58 19.374 15.470 -9.279 1.00 0.00 O ATOM 0 H SER A 58 19.814 12.159 -7.073 1.00 0.00 H new ATOM 0 HA SER A 58 21.269 13.734 -9.102 1.00 0.00 H new ATOM 0 HB2 SER A 58 18.693 13.540 -9.066 1.00 0.00 H new ATOM 0 HB3 SER A 58 18.739 14.482 -7.589 1.00 0.00 H new ATOM 0 HG SER A 58 20.012 16.080 -8.852 1.00 0.00 H new ATOM 768 N ILE A 59 22.100 13.921 -6.259 1.00 0.00 N ATOM 769 CA ILE A 59 22.806 14.622 -5.194 1.00 0.00 C ATOM 770 C ILE A 59 24.202 15.040 -5.641 1.00 0.00 C ATOM 771 O ILE A 59 25.069 14.198 -5.878 1.00 0.00 O ATOM 772 CB ILE A 59 22.923 13.751 -3.929 1.00 0.00 C ATOM 773 CG1 ILE A 59 21.534 13.351 -3.427 1.00 0.00 C ATOM 774 CG2 ILE A 59 23.691 14.493 -2.845 1.00 0.00 C ATOM 775 CD1 ILE A 59 20.712 14.519 -2.929 1.00 0.00 C ATOM 0 H ILE A 59 22.243 12.911 -6.266 1.00 0.00 H new ATOM 0 HA ILE A 59 22.221 15.512 -4.960 1.00 0.00 H new ATOM 0 HB ILE A 59 23.472 12.844 -4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 59 20.994 12.855 -4.233 1.00 0.00 H new ATOM 0 HG13 ILE A 59 21.643 12.624 -2.622 1.00 0.00 H new ATOM 0 HG21 ILE A 59 23.766 13.865 -1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 59 24.691 14.731 -3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 59 23.167 15.415 -2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 59 19.740 14.161 -2.589 1.00 0.00 H new ATOM 0 HD12 ILE A 59 21.231 15.002 -2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 59 20.572 15.236 -3.738 1.00 0.00 H new ATOM 787 N THR A 60 24.415 16.347 -5.754 1.00 0.00 N ATOM 788 CA THR A 60 25.706 16.878 -6.172 1.00 0.00 C ATOM 789 C THR A 60 26.818 16.423 -5.235 1.00 0.00 C ATOM 790 O THR A 60 26.804 16.731 -4.043 1.00 0.00 O ATOM 791 CB THR A 60 25.691 18.418 -6.222 1.00 0.00 C ATOM 792 OG1 THR A 60 27.020 18.915 -6.410 1.00 0.00 O ATOM 793 CG2 THR A 60 25.104 18.995 -4.943 1.00 0.00 C ATOM 0 H THR A 60 23.709 17.058 -5.562 1.00 0.00 H new ATOM 0 HA THR A 60 25.897 16.491 -7.173 1.00 0.00 H new ATOM 0 HB THR A 60 25.067 18.726 -7.061 1.00 0.00 H new ATOM 0 HG1 THR A 60 27.002 19.894 -6.442 1.00 0.00 H new ATOM 0 HG21 THR A 60 25.104 20.083 -5.001 1.00 0.00 H new ATOM 0 HG22 THR A 60 24.082 18.638 -4.819 1.00 0.00 H new ATOM 0 HG23 THR A 60 25.705 18.678 -4.091 1.00 0.00 H new ATOM 801 N LYS A 61 27.781 15.687 -5.780 1.00 0.00 N ATOM 802 CA LYS A 61 28.903 15.190 -4.992 1.00 0.00 C ATOM 803 C LYS A 61 28.414 14.325 -3.835 1.00 0.00 C ATOM 804 O LYS A 61 28.846 14.495 -2.694 1.00 0.00 O ATOM 805 CB LYS A 61 29.733 16.358 -4.455 1.00 0.00 C ATOM 806 CG LYS A 61 30.705 16.932 -5.473 1.00 0.00 C ATOM 807 CD LYS A 61 32.028 17.310 -4.828 1.00 0.00 C ATOM 808 CE LYS A 61 33.117 17.512 -5.870 1.00 0.00 C ATOM 809 NZ LYS A 61 34.418 17.885 -5.247 1.00 0.00 N ATOM 0 H LYS A 61 27.807 15.421 -6.764 1.00 0.00 H new ATOM 0 HA LYS A 61 29.528 14.577 -5.642 1.00 0.00 H new ATOM 0 HB2 LYS A 61 29.060 17.148 -4.122 1.00 0.00 H new ATOM 0 HB3 LYS A 61 30.291 16.024 -3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 61 30.880 16.202 -6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 61 30.264 17.811 -5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 61 31.903 18.225 -4.248 1.00 0.00 H new ATOM 0 HD3 LYS A 61 32.330 16.529 -4.130 1.00 0.00 H new ATOM 0 HE2 LYS A 61 33.241 16.597 -6.449 1.00 0.00 H new ATOM 0 HE3 LYS A 61 32.812 18.291 -6.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 35.134 18.014 -5.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 34.307 18.772 -4.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 34.722 17.130 -4.600 1.00 0.00 H new ATOM 823 N LEU A 62 27.512 13.397 -4.135 1.00 0.00 N ATOM 824 CA LEU A 62 26.966 12.504 -3.119 1.00 0.00 C ATOM 825 C LEU A 62 28.083 11.847 -2.314 1.00 0.00 C ATOM 826 O LEU A 62 29.108 11.451 -2.867 1.00 0.00 O ATOM 827 CB LEU A 62 26.092 11.431 -3.771 1.00 0.00 C ATOM 828 CG LEU A 62 25.562 10.340 -2.841 1.00 0.00 C ATOM 829 CD1 LEU A 62 24.209 10.737 -2.270 1.00 0.00 C ATOM 830 CD2 LEU A 62 25.463 9.012 -3.577 1.00 0.00 C ATOM 0 H LEU A 62 27.143 13.243 -5.074 1.00 0.00 H new ATOM 0 HA LEU A 62 26.355 13.098 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 62 25.241 11.922 -4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 62 26.668 10.955 -4.565 1.00 0.00 H new ATOM 0 HG LEU A 62 26.263 10.222 -2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 62 23.847 9.948 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 62 24.310 11.664 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 62 23.499 10.883 -3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 62 25.084 8.248 -2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 62 24.784 9.115 -4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 62 26.450 8.721 -3.937 1.00 0.00 H new ATOM 842 N ASN A 63 27.875 11.732 -1.007 1.00 0.00 N ATOM 843 CA ASN A 63 28.863 11.121 -0.126 1.00 0.00 C ATOM 844 C ASN A 63 28.375 9.769 0.385 1.00 0.00 C ATOM 845 O ASN A 63 27.523 9.697 1.271 1.00 0.00 O ATOM 846 CB ASN A 63 29.166 12.045 1.055 1.00 0.00 C ATOM 847 CG ASN A 63 30.583 11.882 1.569 1.00 0.00 C ATOM 848 OD1 ASN A 63 31.029 10.769 1.851 1.00 0.00 O ATOM 849 ND2 ASN A 63 31.300 12.993 1.692 1.00 0.00 N ATOM 0 H ASN A 63 27.031 12.054 -0.534 1.00 0.00 H new ATOM 0 HA ASN A 63 29.776 10.965 -0.700 1.00 0.00 H new ATOM 0 HB2 ASN A 63 29.009 13.080 0.752 1.00 0.00 H new ATOM 0 HB3 ASN A 63 28.464 11.840 1.863 1.00 0.00 H new ATOM 0 HD21 ASN A 63 32.261 12.945 2.032 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.890 13.894 1.447 1.00 0.00 H new ATOM 856 N THR A 64 28.921 8.696 -0.181 1.00 0.00 N ATOM 857 CA THR A 64 28.541 7.346 0.216 1.00 0.00 C ATOM 858 C THR A 64 28.675 7.158 1.723 1.00 0.00 C ATOM 859 O THR A 64 27.890 6.440 2.340 1.00 0.00 O ATOM 860 CB THR A 64 29.400 6.287 -0.501 1.00 0.00 C ATOM 861 OG1 THR A 64 30.785 6.641 -0.418 1.00 0.00 O ATOM 862 CG2 THR A 64 28.991 6.157 -1.961 1.00 0.00 C ATOM 0 H THR A 64 29.628 8.736 -0.916 1.00 0.00 H new ATOM 0 HA THR A 64 27.498 7.213 -0.072 1.00 0.00 H new ATOM 0 HB THR A 64 29.241 5.328 -0.008 1.00 0.00 H new ATOM 0 HG1 THR A 64 31.324 5.962 -0.875 1.00 0.00 H new ATOM 0 HG21 THR A 64 29.611 5.404 -2.447 1.00 0.00 H new ATOM 0 HG22 THR A 64 27.944 5.859 -2.020 1.00 0.00 H new ATOM 0 HG23 THR A 64 29.124 7.115 -2.463 1.00 0.00 H new ATOM 870 N ASN A 65 29.676 7.807 2.309 1.00 0.00 N ATOM 871 CA ASN A 65 29.913 7.711 3.745 1.00 0.00 C ATOM 872 C ASN A 65 28.787 8.378 4.528 1.00 0.00 C ATOM 873 O ASN A 65 28.313 7.844 5.530 1.00 0.00 O ATOM 874 CB ASN A 65 31.252 8.355 4.106 1.00 0.00 C ATOM 875 CG ASN A 65 32.436 7.503 3.690 1.00 0.00 C ATOM 876 OD1 ASN A 65 32.558 7.116 2.528 1.00 0.00 O ATOM 877 ND2 ASN A 65 33.314 7.206 4.640 1.00 0.00 N ATOM 0 H ASN A 65 30.336 8.405 1.812 1.00 0.00 H new ATOM 0 HA ASN A 65 29.942 6.655 4.013 1.00 0.00 H new ATOM 0 HB2 ASN A 65 31.324 9.331 3.625 1.00 0.00 H new ATOM 0 HB3 ASN A 65 31.291 8.526 5.182 1.00 0.00 H new ATOM 0 HD21 ASN A 65 34.130 6.635 4.420 1.00 0.00 H new ATOM 0 HD22 ASN A 65 33.173 7.549 5.590 1.00 0.00 H new ATOM 884 N ASN A 66 28.363 9.549 4.063 1.00 0.00 N ATOM 885 CA ASN A 66 27.292 10.290 4.720 1.00 0.00 C ATOM 886 C ASN A 66 25.951 9.586 4.535 1.00 0.00 C ATOM 887 O ASN A 66 25.143 9.515 5.461 1.00 0.00 O ATOM 888 CB ASN A 66 27.214 11.714 4.165 1.00 0.00 C ATOM 889 CG ASN A 66 28.534 12.452 4.280 1.00 0.00 C ATOM 890 OD1 ASN A 66 29.500 11.936 4.841 1.00 0.00 O ATOM 891 ND2 ASN A 66 28.580 13.667 3.746 1.00 0.00 N ATOM 0 H ASN A 66 28.745 10.005 3.234 1.00 0.00 H new ATOM 0 HA ASN A 66 27.515 10.334 5.786 1.00 0.00 H new ATOM 0 HB2 ASN A 66 26.911 11.677 3.119 1.00 0.00 H new ATOM 0 HB3 ASN A 66 26.443 12.268 4.700 1.00 0.00 H new ATOM 0 HD21 ASN A 66 29.441 14.212 3.792 1.00 0.00 H new ATOM 0 HD22 ASN A 66 27.754 14.055 3.290 1.00 0.00 H new ATOM 898 N ALA A 67 25.722 9.066 3.334 1.00 0.00 N ATOM 899 CA ALA A 67 24.481 8.366 3.028 1.00 0.00 C ATOM 900 C ALA A 67 24.275 7.180 3.965 1.00 0.00 C ATOM 901 O ALA A 67 23.157 6.909 4.402 1.00 0.00 O ATOM 902 CB ALA A 67 24.479 7.902 1.579 1.00 0.00 C ATOM 0 H ALA A 67 26.380 9.116 2.557 1.00 0.00 H new ATOM 0 HA ALA A 67 23.655 9.061 3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 67 23.546 7.381 1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.572 8.766 0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 67 25.318 7.227 1.412 1.00 0.00 H new ATOM 908 N ALA A 68 25.361 6.477 4.269 1.00 0.00 N ATOM 909 CA ALA A 68 25.299 5.321 5.156 1.00 0.00 C ATOM 910 C ALA A 68 25.176 5.753 6.613 1.00 0.00 C ATOM 911 O ALA A 68 24.609 5.036 7.437 1.00 0.00 O ATOM 912 CB ALA A 68 26.527 4.443 4.965 1.00 0.00 C ATOM 0 H ALA A 68 26.294 6.687 3.915 1.00 0.00 H new ATOM 0 HA ALA A 68 24.410 4.744 4.900 1.00 0.00 H new ATOM 0 HB1 ALA A 68 26.468 3.584 5.633 1.00 0.00 H new ATOM 0 HB2 ALA A 68 26.570 4.097 3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 68 27.424 5.018 5.193 1.00 0.00 H new ATOM 918 N ALA A 69 25.711 6.929 6.924 1.00 0.00 N ATOM 919 CA ALA A 69 25.660 7.456 8.282 1.00 0.00 C ATOM 920 C ALA A 69 24.257 7.942 8.630 1.00 0.00 C ATOM 921 O ALA A 69 23.874 7.979 9.800 1.00 0.00 O ATOM 922 CB ALA A 69 26.667 8.584 8.448 1.00 0.00 C ATOM 0 H ALA A 69 26.185 7.535 6.254 1.00 0.00 H new ATOM 0 HA ALA A 69 25.917 6.649 8.968 1.00 0.00 H new ATOM 0 HB1 ALA A 69 26.618 8.968 9.467 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.671 8.208 8.250 1.00 0.00 H new ATOM 0 HB3 ALA A 69 26.435 9.385 7.746 1.00 0.00 H new ATOM 928 N LEU A 70 23.494 8.314 7.608 1.00 0.00 N ATOM 929 CA LEU A 70 22.133 8.799 7.806 1.00 0.00 C ATOM 930 C LEU A 70 21.292 7.769 8.554 1.00 0.00 C ATOM 931 O LEU A 70 20.741 8.039 9.622 1.00 0.00 O ATOM 932 CB LEU A 70 21.484 9.122 6.459 1.00 0.00 C ATOM 933 CG LEU A 70 19.965 8.964 6.390 1.00 0.00 C ATOM 934 CD1 LEU A 70 19.289 9.850 7.426 1.00 0.00 C ATOM 935 CD2 LEU A 70 19.457 9.291 4.993 1.00 0.00 C ATOM 0 H LEU A 70 23.795 8.289 6.634 1.00 0.00 H new ATOM 0 HA LEU A 70 22.181 9.708 8.406 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.735 10.149 6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.931 8.480 5.700 1.00 0.00 H new ATOM 0 HG LEU A 70 19.716 7.926 6.611 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.208 9.725 7.362 1.00 0.00 H new ATOM 0 HD12 LEU A 70 19.629 9.569 8.423 1.00 0.00 H new ATOM 0 HD13 LEU A 70 19.545 10.892 7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.374 9.173 4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 70 19.717 10.319 4.743 1.00 0.00 H new ATOM 0 HD23 LEU A 70 19.916 8.615 4.272 1.00 0.00 H new ATOM 947 N PRO A 71 21.191 6.560 7.983 1.00 0.00 N ATOM 948 CA PRO A 71 20.421 5.464 8.581 1.00 0.00 C ATOM 949 C PRO A 71 21.074 4.921 9.847 1.00 0.00 C ATOM 950 O PRO A 71 20.395 4.635 10.833 1.00 0.00 O ATOM 951 CB PRO A 71 20.413 4.397 7.483 1.00 0.00 C ATOM 952 CG PRO A 71 21.632 4.677 6.674 1.00 0.00 C ATOM 953 CD PRO A 71 21.821 6.168 6.711 1.00 0.00 C ATOM 0 HA PRO A 71 19.426 5.785 8.890 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.441 3.393 7.906 1.00 0.00 H new ATOM 0 HB3 PRO A 71 19.511 4.462 6.875 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.500 4.163 7.087 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.510 4.325 5.650 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.876 6.440 6.684 1.00 0.00 H new ATOM 0 HD3 PRO A 71 21.345 6.655 5.860 1.00 0.00 H new ATOM 961 N GLY A 72 22.396 4.781 9.813 1.00 0.00 N ATOM 962 CA GLY A 72 23.117 4.272 10.965 1.00 0.00 C ATOM 963 C GLY A 72 22.998 5.181 12.172 1.00 0.00 C ATOM 964 O GLY A 72 22.915 4.711 13.307 1.00 0.00 O ATOM 0 H GLY A 72 22.980 5.011 9.009 1.00 0.00 H new ATOM 0 HA2 GLY A 72 22.736 3.283 11.220 1.00 0.00 H new ATOM 0 HA3 GLY A 72 24.169 4.152 10.707 1.00 0.00 H new ATOM 968 N LYS A 73 22.992 6.487 11.928 1.00 0.00 N ATOM 969 CA LYS A 73 22.883 7.466 13.003 1.00 0.00 C ATOM 970 C LYS A 73 21.445 7.572 13.499 1.00 0.00 C ATOM 971 O LYS A 73 21.200 7.901 14.660 1.00 0.00 O ATOM 972 CB LYS A 73 23.371 8.836 12.525 1.00 0.00 C ATOM 973 CG LYS A 73 24.877 8.917 12.349 1.00 0.00 C ATOM 974 CD LYS A 73 25.499 9.909 13.318 1.00 0.00 C ATOM 975 CE LYS A 73 26.782 10.505 12.759 1.00 0.00 C ATOM 976 NZ LYS A 73 27.395 11.482 13.700 1.00 0.00 N ATOM 0 H LYS A 73 23.061 6.892 10.995 1.00 0.00 H new ATOM 0 HA LYS A 73 23.510 7.132 13.829 1.00 0.00 H new ATOM 0 HB2 LYS A 73 22.889 9.073 11.576 1.00 0.00 H new ATOM 0 HB3 LYS A 73 23.056 9.595 13.241 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.316 7.931 12.504 1.00 0.00 H new ATOM 0 HG3 LYS A 73 25.109 9.212 11.326 1.00 0.00 H new ATOM 0 HD2 LYS A 73 24.788 10.707 13.529 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.710 9.411 14.264 1.00 0.00 H new ATOM 0 HE2 LYS A 73 27.493 9.706 12.551 1.00 0.00 H new ATOM 0 HE3 LYS A 73 26.570 10.998 11.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 28.267 11.866 13.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 26.726 12.258 13.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 27.621 11.006 14.597 1.00 0.00 H new ATOM 990 N CYS A 74 20.496 7.288 12.613 1.00 0.00 N ATOM 991 CA CYS A 74 19.081 7.350 12.961 1.00 0.00 C ATOM 992 C CYS A 74 18.631 6.061 13.642 1.00 0.00 C ATOM 993 O CYS A 74 17.458 5.898 13.973 1.00 0.00 O ATOM 994 CB CYS A 74 18.238 7.600 11.709 1.00 0.00 C ATOM 995 SG CYS A 74 18.352 9.299 11.062 1.00 0.00 S ATOM 0 H CYS A 74 20.681 7.013 11.649 1.00 0.00 H new ATOM 0 HA CYS A 74 18.939 8.176 13.658 1.00 0.00 H new ATOM 0 HB2 CYS A 74 18.549 6.904 10.930 1.00 0.00 H new ATOM 0 HB3 CYS A 74 17.195 7.378 11.936 1.00 0.00 H new ATOM 1000 N GLY A 75 19.574 5.146 13.847 1.00 0.00 N ATOM 1001 CA GLY A 75 19.256 3.883 14.487 1.00 0.00 C ATOM 1002 C GLY A 75 18.489 2.947 13.575 1.00 0.00 C ATOM 1003 O GLY A 75 17.560 2.267 14.010 1.00 0.00 O ATOM 0 H GLY A 75 20.552 5.257 13.581 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.179 3.399 14.806 1.00 0.00 H new ATOM 0 HA3 GLY A 75 18.668 4.072 15.385 1.00 0.00 H new ATOM 1007 N VAL A 76 18.877 2.913 12.304 1.00 0.00 N ATOM 1008 CA VAL A 76 18.219 2.054 11.326 1.00 0.00 C ATOM 1009 C VAL A 76 19.215 1.523 10.302 1.00 0.00 C ATOM 1010 O VAL A 76 20.113 2.241 9.865 1.00 0.00 O ATOM 1011 CB VAL A 76 17.092 2.803 10.590 1.00 0.00 C ATOM 1012 CG1 VAL A 76 17.664 3.927 9.740 1.00 0.00 C ATOM 1013 CG2 VAL A 76 16.281 1.839 9.737 1.00 0.00 C ATOM 0 H VAL A 76 19.644 3.470 11.927 1.00 0.00 H new ATOM 0 HA VAL A 76 17.790 1.218 11.877 1.00 0.00 H new ATOM 0 HB VAL A 76 16.427 3.244 11.333 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.853 4.445 9.228 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.197 4.631 10.379 1.00 0.00 H new ATOM 0 HG13 VAL A 76 18.352 3.512 9.003 1.00 0.00 H new ATOM 0 HG21 VAL A 76 15.489 2.385 9.224 1.00 0.00 H new ATOM 0 HG22 VAL A 76 16.933 1.368 9.001 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.839 1.073 10.374 1.00 0.00 H new ATOM 1023 N ASN A 77 19.050 0.260 9.923 1.00 0.00 N ATOM 1024 CA ASN A 77 19.935 -0.368 8.949 1.00 0.00 C ATOM 1025 C ASN A 77 19.133 -1.072 7.859 1.00 0.00 C ATOM 1026 O ASN A 77 18.059 -1.616 8.118 1.00 0.00 O ATOM 1027 CB ASN A 77 20.862 -1.369 9.643 1.00 0.00 C ATOM 1028 CG ASN A 77 21.764 -2.095 8.664 1.00 0.00 C ATOM 1029 OD1 ASN A 77 22.394 -1.476 7.807 1.00 0.00 O ATOM 1030 ND2 ASN A 77 21.830 -3.416 8.788 1.00 0.00 N ATOM 0 H ASN A 77 18.311 -0.349 10.276 1.00 0.00 H new ATOM 0 HA ASN A 77 20.537 0.414 8.485 1.00 0.00 H new ATOM 0 HB2 ASN A 77 21.474 -0.845 10.377 1.00 0.00 H new ATOM 0 HB3 ASN A 77 20.262 -2.097 10.189 1.00 0.00 H new ATOM 0 HD21 ASN A 77 22.421 -3.959 8.158 1.00 0.00 H new ATOM 0 HD22 ASN A 77 21.290 -3.888 9.513 1.00 0.00 H new ATOM 1037 N ILE A 78 19.661 -1.057 6.640 1.00 0.00 N ATOM 1038 CA ILE A 78 18.995 -1.695 5.511 1.00 0.00 C ATOM 1039 C ILE A 78 19.829 -2.846 4.960 1.00 0.00 C ATOM 1040 O ILE A 78 21.044 -2.912 5.150 1.00 0.00 O ATOM 1041 CB ILE A 78 18.718 -0.688 4.379 1.00 0.00 C ATOM 1042 CG1 ILE A 78 19.915 0.247 4.194 1.00 0.00 C ATOM 1043 CG2 ILE A 78 17.457 0.109 4.676 1.00 0.00 C ATOM 1044 CD1 ILE A 78 19.850 1.489 5.056 1.00 0.00 C ATOM 0 H ILE A 78 20.548 -0.610 6.409 1.00 0.00 H new ATOM 0 HA ILE A 78 18.046 -2.082 5.882 1.00 0.00 H new ATOM 0 HB ILE A 78 18.565 -1.240 3.451 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.830 -0.298 4.424 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.976 0.544 3.147 1.00 0.00 H new ATOM 0 HG21 ILE A 78 17.275 0.816 3.867 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.609 -0.570 4.762 1.00 0.00 H new ATOM 0 HG23 ILE A 78 17.582 0.653 5.612 1.00 0.00 H new ATOM 0 HD11 ILE A 78 20.730 2.105 4.873 1.00 0.00 H new ATOM 0 HD12 ILE A 78 18.952 2.056 4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 78 19.821 1.201 6.107 1.00 0.00 H new ATOM 1056 N PRO A 79 19.164 -3.776 4.260 1.00 0.00 N ATOM 1057 CA PRO A 79 19.825 -4.942 3.664 1.00 0.00 C ATOM 1058 C PRO A 79 20.724 -4.562 2.493 1.00 0.00 C ATOM 1059 O PRO A 79 21.622 -5.317 2.117 1.00 0.00 O ATOM 1060 CB PRO A 79 18.655 -5.805 3.183 1.00 0.00 C ATOM 1061 CG PRO A 79 17.540 -4.842 2.963 1.00 0.00 C ATOM 1062 CD PRO A 79 17.716 -3.762 3.994 1.00 0.00 C ATOM 0 HA PRO A 79 20.481 -5.446 4.373 1.00 0.00 H new ATOM 0 HB2 PRO A 79 18.906 -6.336 2.265 1.00 0.00 H new ATOM 0 HB3 PRO A 79 18.387 -6.558 3.924 1.00 0.00 H new ATOM 0 HG2 PRO A 79 17.575 -4.429 1.955 1.00 0.00 H new ATOM 0 HG3 PRO A 79 16.573 -5.333 3.073 1.00 0.00 H new ATOM 0 HD2 PRO A 79 17.386 -2.793 3.621 1.00 0.00 H new ATOM 0 HD3 PRO A 79 17.140 -3.970 4.896 1.00 0.00 H new ATOM 1070 N TYR A 80 20.479 -3.389 1.920 1.00 0.00 N ATOM 1071 CA TYR A 80 21.266 -2.911 0.790 1.00 0.00 C ATOM 1072 C TYR A 80 21.860 -1.536 1.083 1.00 0.00 C ATOM 1073 O TYR A 80 21.489 -0.880 2.056 1.00 0.00 O ATOM 1074 CB TYR A 80 20.401 -2.847 -0.470 1.00 0.00 C ATOM 1075 CG TYR A 80 20.414 -4.125 -1.278 1.00 0.00 C ATOM 1076 CD1 TYR A 80 19.819 -5.283 -0.793 1.00 0.00 C ATOM 1077 CD2 TYR A 80 21.021 -4.174 -2.527 1.00 0.00 C ATOM 1078 CE1 TYR A 80 19.829 -6.453 -1.527 1.00 0.00 C ATOM 1079 CE2 TYR A 80 21.034 -5.339 -3.269 1.00 0.00 C ATOM 1080 CZ TYR A 80 20.437 -6.476 -2.765 1.00 0.00 C ATOM 1081 OH TYR A 80 20.449 -7.639 -3.501 1.00 0.00 O ATOM 0 H TYR A 80 19.741 -2.752 2.220 1.00 0.00 H new ATOM 0 HA TYR A 80 22.084 -3.613 0.626 1.00 0.00 H new ATOM 0 HB2 TYR A 80 19.374 -2.618 -0.185 1.00 0.00 H new ATOM 0 HB3 TYR A 80 20.748 -2.026 -1.098 1.00 0.00 H new ATOM 0 HD1 TYR A 80 19.340 -5.268 0.175 1.00 0.00 H new ATOM 0 HD2 TYR A 80 21.491 -3.286 -2.924 1.00 0.00 H new ATOM 0 HE1 TYR A 80 19.363 -7.345 -1.134 1.00 0.00 H new ATOM 0 HE2 TYR A 80 21.509 -5.360 -4.239 1.00 0.00 H new ATOM 0 HH TYR A 80 20.916 -7.485 -4.349 1.00 0.00 H new ATOM 1091 N LYS A 81 22.786 -1.106 0.233 1.00 0.00 N ATOM 1092 CA LYS A 81 23.432 0.191 0.396 1.00 0.00 C ATOM 1093 C LYS A 81 22.595 1.299 -0.233 1.00 0.00 C ATOM 1094 O LYS A 81 21.638 1.030 -0.960 1.00 0.00 O ATOM 1095 CB LYS A 81 24.827 0.171 -0.233 1.00 0.00 C ATOM 1096 CG LYS A 81 25.804 1.132 0.423 1.00 0.00 C ATOM 1097 CD LYS A 81 26.200 2.255 -0.520 1.00 0.00 C ATOM 1098 CE LYS A 81 27.584 2.026 -1.109 1.00 0.00 C ATOM 1099 NZ LYS A 81 28.662 2.334 -0.129 1.00 0.00 N ATOM 0 H LYS A 81 23.106 -1.637 -0.577 1.00 0.00 H new ATOM 0 HA LYS A 81 23.524 0.392 1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 81 25.229 -0.840 -0.173 1.00 0.00 H new ATOM 0 HB3 LYS A 81 24.743 0.418 -1.291 1.00 0.00 H new ATOM 0 HG2 LYS A 81 25.354 1.553 1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 81 26.695 0.588 0.737 1.00 0.00 H new ATOM 0 HD2 LYS A 81 25.469 2.331 -1.325 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.184 3.204 0.016 1.00 0.00 H new ATOM 0 HE2 LYS A 81 27.674 0.989 -1.433 1.00 0.00 H new ATOM 0 HE3 LYS A 81 27.709 2.649 -1.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.588 2.264 -0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.532 3.298 0.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 28.620 1.655 0.658 1.00 0.00 H new ATOM 1113 N ILE A 82 22.962 2.545 0.049 1.00 0.00 N ATOM 1114 CA ILE A 82 22.246 3.693 -0.492 1.00 0.00 C ATOM 1115 C ILE A 82 23.091 4.431 -1.525 1.00 0.00 C ATOM 1116 O ILE A 82 23.904 5.288 -1.179 1.00 0.00 O ATOM 1117 CB ILE A 82 21.839 4.678 0.620 1.00 0.00 C ATOM 1118 CG1 ILE A 82 21.319 3.915 1.841 1.00 0.00 C ATOM 1119 CG2 ILE A 82 20.786 5.649 0.108 1.00 0.00 C ATOM 1120 CD1 ILE A 82 20.144 3.014 1.535 1.00 0.00 C ATOM 0 H ILE A 82 23.751 2.785 0.649 1.00 0.00 H new ATOM 0 HA ILE A 82 21.346 3.307 -0.971 1.00 0.00 H new ATOM 0 HB ILE A 82 22.718 5.250 0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 82 22.129 3.314 2.256 1.00 0.00 H new ATOM 0 HG13 ILE A 82 21.027 4.631 2.609 1.00 0.00 H new ATOM 0 HG21 ILE A 82 20.509 6.339 0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 82 21.189 6.211 -0.734 1.00 0.00 H new ATOM 0 HG23 ILE A 82 19.905 5.094 -0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 82 19.829 2.505 2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 82 19.318 3.611 1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 82 20.437 2.275 0.790 1.00 0.00 H new ATOM 1132 N SER A 83 22.891 4.094 -2.795 1.00 0.00 N ATOM 1133 CA SER A 83 23.636 4.723 -3.879 1.00 0.00 C ATOM 1134 C SER A 83 23.004 4.403 -5.230 1.00 0.00 C ATOM 1135 O SER A 83 21.966 3.743 -5.303 1.00 0.00 O ATOM 1136 CB SER A 83 25.094 4.258 -3.862 1.00 0.00 C ATOM 1137 OG SER A 83 25.839 4.952 -2.877 1.00 0.00 O ATOM 0 H SER A 83 22.219 3.389 -3.098 1.00 0.00 H new ATOM 0 HA SER A 83 23.605 5.802 -3.729 1.00 0.00 H new ATOM 0 HB2 SER A 83 25.135 3.187 -3.666 1.00 0.00 H new ATOM 0 HB3 SER A 83 25.542 4.420 -4.842 1.00 0.00 H new ATOM 0 HG SER A 83 25.232 5.485 -2.323 1.00 0.00 H new ATOM 1143 N THR A 84 23.637 4.875 -6.300 1.00 0.00 N ATOM 1144 CA THR A 84 23.137 4.641 -7.649 1.00 0.00 C ATOM 1145 C THR A 84 23.525 3.253 -8.145 1.00 0.00 C ATOM 1146 O THR A 84 23.196 2.870 -9.269 1.00 0.00 O ATOM 1147 CB THR A 84 23.672 5.695 -8.636 1.00 0.00 C ATOM 1148 OG1 THR A 84 25.095 5.798 -8.520 1.00 0.00 O ATOM 1149 CG2 THR A 84 23.037 7.053 -8.375 1.00 0.00 C ATOM 0 H THR A 84 24.497 5.422 -6.258 1.00 0.00 H new ATOM 0 HA THR A 84 22.051 4.716 -7.602 1.00 0.00 H new ATOM 0 HB THR A 84 23.413 5.378 -9.646 1.00 0.00 H new ATOM 0 HG1 THR A 84 25.427 6.469 -9.152 1.00 0.00 H new ATOM 0 HG21 THR A 84 23.430 7.781 -9.084 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.956 6.978 -8.494 1.00 0.00 H new ATOM 0 HG23 THR A 84 23.269 7.374 -7.359 1.00 0.00 H new ATOM 1157 N THR A 85 24.226 2.502 -7.302 1.00 0.00 N ATOM 1158 CA THR A 85 24.658 1.156 -7.655 1.00 0.00 C ATOM 1159 C THR A 85 23.933 0.107 -6.819 1.00 0.00 C ATOM 1160 O THR A 85 24.446 -0.990 -6.599 1.00 0.00 O ATOM 1161 CB THR A 85 26.178 0.986 -7.466 1.00 0.00 C ATOM 1162 OG1 THR A 85 26.517 1.126 -6.082 1.00 0.00 O ATOM 1163 CG2 THR A 85 26.943 2.012 -8.287 1.00 0.00 C ATOM 0 H THR A 85 24.507 2.804 -6.369 1.00 0.00 H new ATOM 0 HA THR A 85 24.411 1.011 -8.707 1.00 0.00 H new ATOM 0 HB THR A 85 26.456 -0.010 -7.809 1.00 0.00 H new ATOM 0 HG1 THR A 85 27.484 1.015 -5.969 1.00 0.00 H new ATOM 0 HG21 THR A 85 28.014 1.872 -8.138 1.00 0.00 H new ATOM 0 HG22 THR A 85 26.704 1.884 -9.343 1.00 0.00 H new ATOM 0 HG23 THR A 85 26.660 3.016 -7.970 1.00 0.00 H new ATOM 1171 N THR A 86 22.736 0.452 -6.355 1.00 0.00 N ATOM 1172 CA THR A 86 21.940 -0.460 -5.543 1.00 0.00 C ATOM 1173 C THR A 86 20.821 -1.092 -6.362 1.00 0.00 C ATOM 1174 O THR A 86 20.214 -0.439 -7.209 1.00 0.00 O ATOM 1175 CB THR A 86 21.327 0.261 -4.328 1.00 0.00 C ATOM 1176 OG1 THR A 86 22.363 0.680 -3.433 1.00 0.00 O ATOM 1177 CG2 THR A 86 20.353 -0.649 -3.594 1.00 0.00 C ATOM 0 H THR A 86 22.297 1.356 -6.528 1.00 0.00 H new ATOM 0 HA THR A 86 22.614 -1.241 -5.192 1.00 0.00 H new ATOM 0 HB THR A 86 20.783 1.134 -4.688 1.00 0.00 H new ATOM 0 HG1 THR A 86 22.091 0.497 -2.509 1.00 0.00 H new ATOM 0 HG21 THR A 86 19.933 -0.118 -2.740 1.00 0.00 H new ATOM 0 HG22 THR A 86 19.550 -0.943 -4.270 1.00 0.00 H new ATOM 0 HG23 THR A 86 20.878 -1.539 -3.246 1.00 0.00 H new ATOM 1185 N ASN A 87 20.553 -2.368 -6.103 1.00 0.00 N ATOM 1186 CA ASN A 87 19.506 -3.089 -6.818 1.00 0.00 C ATOM 1187 C ASN A 87 18.581 -3.813 -5.843 1.00 0.00 C ATOM 1188 O ASN A 87 18.866 -4.932 -5.416 1.00 0.00 O ATOM 1189 CB ASN A 87 20.123 -4.093 -7.793 1.00 0.00 C ATOM 1190 CG ASN A 87 19.185 -4.446 -8.932 1.00 0.00 C ATOM 1191 OD1 ASN A 87 18.008 -4.087 -8.914 1.00 0.00 O ATOM 1192 ND2 ASN A 87 19.705 -5.152 -9.929 1.00 0.00 N ATOM 0 H ASN A 87 21.046 -2.924 -5.404 1.00 0.00 H new ATOM 0 HA ASN A 87 18.918 -2.363 -7.379 1.00 0.00 H new ATOM 0 HB2 ASN A 87 21.045 -3.679 -8.201 1.00 0.00 H new ATOM 0 HB3 ASN A 87 20.392 -5.001 -7.253 1.00 0.00 H new ATOM 0 HD21 ASN A 87 19.123 -5.419 -10.723 1.00 0.00 H new ATOM 0 HD22 ASN A 87 20.687 -5.428 -9.901 1.00 0.00 H new ATOM 1199 N CYS A 88 17.474 -3.166 -5.496 1.00 0.00 N ATOM 1200 CA CYS A 88 16.506 -3.747 -4.573 1.00 0.00 C ATOM 1201 C CYS A 88 15.607 -4.751 -5.287 1.00 0.00 C ATOM 1202 O CYS A 88 14.791 -5.425 -4.660 1.00 0.00 O ATOM 1203 CB CYS A 88 15.655 -2.647 -3.935 1.00 0.00 C ATOM 1204 SG CYS A 88 16.343 -1.978 -2.387 1.00 0.00 S ATOM 0 H CYS A 88 17.225 -2.239 -5.840 1.00 0.00 H new ATOM 0 HA CYS A 88 17.056 -4.271 -3.792 1.00 0.00 H new ATOM 0 HB2 CYS A 88 15.538 -1.832 -4.650 1.00 0.00 H new ATOM 0 HB3 CYS A 88 14.659 -3.042 -3.736 1.00 0.00 H new