USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 553 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 3 SER OG : rot -67:sc= 0.647 USER MOD Set 1.2: A 4 TYR OH : rot 180:sc= -0.0821 USER MOD Set 1.3: A 50 ASN : amide:sc= -15.6! C(o=-15!,f=-16!) USER MOD Single : A 1 ALA N :NH3+ -176:sc= -10.4! (180deg=-11!) USER MOD Single : A 2 MET CE :methyl -154:sc= -0.269 (180deg=-1.57!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -100:sc= -1.87! USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN :FLIP amide:sc= -7.4! C(o=-9.9!,f=-7.4!) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc=-0.00152 X(o=-0.0015,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.127) USER MOD Single : A 20 SER OG : rot 180:sc= -0.0369 USER MOD Single : A 28 ASN : amide:sc= -8.58! C(o=-8.6!,f=-11!) USER MOD Single : A 30 GLN :FLIP amide:sc= -8.64! C(o=-18!,f=-8.6!) USER MOD Single : A 31 LYS NZ :NH3+ 157:sc= -0.0338 (180deg=-0.471) USER MOD Single : A 34 SER OG : rot 33:sc= 0.408 USER MOD Single : A 38 LYS NZ :NH3+ -111:sc= -2.85! (180deg=-7.38!) USER MOD Single : A 39 GLN :FLIP amide:sc= -2.82! C(o=-5.9!,f=-2.8!) USER MOD Single : A 41 HIS : no HE2:sc= -11.7! C(o=-12!,f=-18!) USER MOD Single : A 44 LYS NZ :NH3+ 169:sc= -2.37 (180deg=-3.09!) USER MOD Single : A 45 LYS NZ :NH3+ -164:sc= 1.01 (180deg=0.465) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 56 THR OG1 : rot -92:sc= -6.65! USER MOD Single : A 60 MET CE :methyl -143:sc= -0.114 (180deg=-1.29) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 54.766 -4.661 -7.349 1.00 5.67 N ATOM 2 CA ALA A 1 55.115 -3.477 -8.172 1.00 5.55 C ATOM 3 C ALA A 1 54.347 -3.546 -9.485 1.00 4.79 C ATOM 4 O ALA A 1 53.630 -2.636 -9.848 1.00 5.23 O ATOM 5 CB ALA A 1 56.617 -3.483 -8.466 1.00 6.08 C ATOM 0 H1 ALA A 1 55.233 -4.589 -6.422 1.00 5.67 H new ATOM 0 H2 ALA A 1 53.735 -4.699 -7.216 1.00 5.67 H new ATOM 0 H3 ALA A 1 55.085 -5.525 -7.831 1.00 5.67 H new ATOM 0 HA ALA A 1 54.855 -2.565 -7.634 1.00 5.55 H new ATOM 0 HB1 ALA A 1 56.873 -2.613 -9.071 1.00 6.08 H new ATOM 0 HB2 ALA A 1 57.171 -3.449 -7.528 1.00 6.08 H new ATOM 0 HB3 ALA A 1 56.878 -4.392 -9.009 1.00 6.08 H new ATOM 11 N MET A 2 54.494 -4.621 -10.204 1.00 3.95 N ATOM 12 CA MET A 2 53.774 -4.741 -11.494 1.00 3.57 C ATOM 13 C MET A 2 52.269 -4.633 -11.252 1.00 2.62 C ATOM 14 O MET A 2 51.550 -4.071 -12.054 1.00 2.88 O ATOM 15 CB MET A 2 54.083 -6.095 -12.136 1.00 4.29 C ATOM 16 CG MET A 2 55.566 -6.160 -12.507 1.00 5.50 C ATOM 17 SD MET A 2 55.889 -7.673 -13.447 1.00 6.52 S ATOM 18 CE MET A 2 55.339 -8.852 -12.190 1.00 7.31 C ATOM 0 H MET A 2 55.080 -5.418 -9.954 1.00 3.95 H new ATOM 0 HA MET A 2 54.098 -3.940 -12.159 1.00 3.57 H new ATOM 0 HB2 MET A 2 53.835 -6.901 -11.446 1.00 4.29 H new ATOM 0 HB3 MET A 2 53.469 -6.236 -13.025 1.00 4.29 H new ATOM 0 HG2 MET A 2 55.842 -5.287 -13.098 1.00 5.50 H new ATOM 0 HG3 MET A 2 56.178 -6.142 -11.605 1.00 5.50 H new ATOM 0 HE1 MET A 2 55.849 -9.804 -12.336 1.00 7.31 H new ATOM 0 HE2 MET A 2 55.574 -8.463 -11.199 1.00 7.31 H new ATOM 0 HE3 MET A 2 54.263 -9.000 -12.276 1.00 7.31 H new ATOM 28 N SER A 3 51.772 -5.167 -10.165 1.00 2.20 N ATOM 29 CA SER A 3 50.306 -5.070 -9.938 1.00 2.14 C ATOM 30 C SER A 3 49.920 -3.592 -9.833 1.00 2.06 C ATOM 31 O SER A 3 49.077 -3.106 -10.561 1.00 2.37 O ATOM 32 CB SER A 3 49.966 -5.781 -8.626 1.00 2.93 C ATOM 33 OG SER A 3 50.439 -5.002 -7.535 1.00 3.02 O ATOM 0 H SER A 3 52.305 -5.653 -9.444 1.00 2.20 H new ATOM 0 HA SER A 3 49.761 -5.533 -10.761 1.00 2.14 H new ATOM 0 HB2 SER A 3 48.889 -5.925 -8.545 1.00 2.93 H new ATOM 0 HB3 SER A 3 50.422 -6.771 -8.606 1.00 2.93 H new ATOM 0 HG SER A 3 51.419 -4.983 -7.547 1.00 3.02 H new ATOM 39 N TYR A 4 50.582 -2.859 -8.975 1.00 1.78 N ATOM 40 CA TYR A 4 50.310 -1.396 -8.875 1.00 1.89 C ATOM 41 C TYR A 4 51.354 -0.749 -7.962 1.00 1.54 C ATOM 42 O TYR A 4 52.047 -1.424 -7.229 1.00 1.32 O ATOM 43 CB TYR A 4 48.891 -1.123 -8.368 1.00 2.08 C ATOM 44 CG TYR A 4 48.781 -1.399 -6.894 1.00 1.84 C ATOM 45 CD1 TYR A 4 48.414 -2.673 -6.449 1.00 2.21 C ATOM 46 CD2 TYR A 4 49.007 -0.373 -5.972 1.00 1.60 C ATOM 47 CE1 TYR A 4 48.278 -2.922 -5.082 1.00 2.50 C ATOM 48 CE2 TYR A 4 48.869 -0.619 -4.603 1.00 1.77 C ATOM 49 CZ TYR A 4 48.505 -1.895 -4.157 1.00 2.32 C ATOM 50 OH TYR A 4 48.369 -2.141 -2.806 1.00 2.85 O ATOM 0 H TYR A 4 51.299 -3.211 -8.340 1.00 1.78 H new ATOM 0 HA TYR A 4 50.382 -0.957 -9.870 1.00 1.89 H new ATOM 0 HB2 TYR A 4 48.623 -0.085 -8.568 1.00 2.08 H new ATOM 0 HB3 TYR A 4 48.181 -1.746 -8.912 1.00 2.08 H new ATOM 0 HD1 TYR A 4 48.236 -3.464 -7.163 1.00 2.21 H new ATOM 0 HD2 TYR A 4 49.288 0.611 -6.318 1.00 1.60 H new ATOM 0 HE1 TYR A 4 47.998 -3.907 -4.738 1.00 2.50 H new ATOM 0 HE2 TYR A 4 49.043 0.174 -3.891 1.00 1.77 H new ATOM 0 HH TYR A 4 48.563 -1.322 -2.303 1.00 2.85 H new ATOM 60 N SER A 5 51.463 0.551 -7.975 1.00 1.61 N ATOM 61 CA SER A 5 52.450 1.215 -7.078 1.00 1.32 C ATOM 62 C SER A 5 51.913 2.564 -6.601 1.00 1.17 C ATOM 63 O SER A 5 51.104 3.187 -7.258 1.00 1.32 O ATOM 64 CB SER A 5 53.748 1.404 -7.842 1.00 1.57 C ATOM 65 OG SER A 5 53.525 2.254 -8.958 1.00 1.92 O ATOM 0 H SER A 5 50.915 1.179 -8.564 1.00 1.61 H new ATOM 0 HA SER A 5 52.626 0.593 -6.200 1.00 1.32 H new ATOM 0 HB2 SER A 5 54.506 1.836 -7.189 1.00 1.57 H new ATOM 0 HB3 SER A 5 54.128 0.439 -8.177 1.00 1.57 H new ATOM 0 HG SER A 5 54.364 2.376 -9.449 1.00 1.92 H new ATOM 71 N LEU A 6 52.364 3.028 -5.465 1.00 0.99 N ATOM 72 CA LEU A 6 51.879 4.343 -4.965 1.00 0.94 C ATOM 73 C LEU A 6 53.034 5.346 -4.930 1.00 0.98 C ATOM 74 O LEU A 6 54.091 5.069 -4.399 1.00 1.08 O ATOM 75 CB LEU A 6 51.310 4.146 -3.567 1.00 0.98 C ATOM 76 CG LEU A 6 50.250 3.048 -3.634 1.00 1.16 C ATOM 77 CD1 LEU A 6 49.588 2.874 -2.268 1.00 1.73 C ATOM 78 CD2 LEU A 6 49.195 3.433 -4.669 1.00 1.74 C ATOM 0 H LEU A 6 53.042 2.556 -4.867 1.00 0.99 H new ATOM 0 HA LEU A 6 51.106 4.734 -5.627 1.00 0.94 H new ATOM 0 HB2 LEU A 6 52.101 3.869 -2.870 1.00 0.98 H new ATOM 0 HB3 LEU A 6 50.873 5.075 -3.200 1.00 0.98 H new ATOM 0 HG LEU A 6 50.722 2.108 -3.919 1.00 1.16 H new ATOM 0 HD11 LEU A 6 48.834 2.089 -2.326 1.00 1.73 H new ATOM 0 HD12 LEU A 6 50.342 2.599 -1.531 1.00 1.73 H new ATOM 0 HD13 LEU A 6 49.115 3.810 -1.971 1.00 1.73 H new ATOM 0 HD21 LEU A 6 48.435 2.653 -4.722 1.00 1.74 H new ATOM 0 HD22 LEU A 6 48.729 4.375 -4.380 1.00 1.74 H new ATOM 0 HD23 LEU A 6 49.667 3.546 -5.645 1.00 1.74 H new ATOM 90 N TYR A 7 52.836 6.512 -5.473 1.00 1.12 N ATOM 91 CA TYR A 7 53.907 7.537 -5.451 1.00 1.30 C ATOM 92 C TYR A 7 54.176 7.961 -4.008 1.00 1.41 C ATOM 93 O TYR A 7 55.290 8.262 -3.637 1.00 1.76 O ATOM 94 CB TYR A 7 53.497 8.767 -6.250 1.00 1.43 C ATOM 95 CG TYR A 7 54.689 9.692 -6.337 1.00 2.38 C ATOM 96 CD1 TYR A 7 54.936 10.619 -5.319 1.00 3.10 C ATOM 97 CD2 TYR A 7 55.567 9.595 -7.422 1.00 2.91 C ATOM 98 CE1 TYR A 7 56.055 11.456 -5.391 1.00 4.10 C ATOM 99 CE2 TYR A 7 56.687 10.432 -7.495 1.00 3.92 C ATOM 100 CZ TYR A 7 56.929 11.364 -6.481 1.00 4.45 C ATOM 101 OH TYR A 7 58.034 12.189 -6.551 1.00 5.51 O ATOM 0 H TYR A 7 51.972 6.799 -5.933 1.00 1.12 H new ATOM 0 HA TYR A 7 54.803 7.104 -5.896 1.00 1.30 H new ATOM 0 HB2 TYR A 7 53.166 8.479 -7.248 1.00 1.43 H new ATOM 0 HB3 TYR A 7 52.659 9.271 -5.769 1.00 1.43 H new ATOM 0 HD1 TYR A 7 54.263 10.689 -4.477 1.00 3.10 H new ATOM 0 HD2 TYR A 7 55.381 8.874 -8.204 1.00 2.91 H new ATOM 0 HE1 TYR A 7 56.245 12.173 -4.606 1.00 4.10 H new ATOM 0 HE2 TYR A 7 57.363 10.358 -8.334 1.00 3.92 H new ATOM 0 HH TYR A 7 58.536 11.995 -7.370 1.00 5.51 H new ATOM 111 N GLY A 8 53.144 8.049 -3.204 1.00 1.34 N ATOM 112 CA GLY A 8 53.327 8.526 -1.804 1.00 1.60 C ATOM 113 C GLY A 8 52.537 9.824 -1.647 1.00 1.56 C ATOM 114 O GLY A 8 52.693 10.566 -0.698 1.00 1.60 O ATOM 0 H GLY A 8 52.186 7.811 -3.459 1.00 1.34 H new ATOM 0 HA2 GLY A 8 52.975 7.776 -1.096 1.00 1.60 H new ATOM 0 HA3 GLY A 8 54.383 8.693 -1.592 1.00 1.60 H new ATOM 118 N THR A 9 51.664 10.075 -2.582 1.00 1.92 N ATOM 119 CA THR A 9 50.808 11.292 -2.540 1.00 2.21 C ATOM 120 C THR A 9 49.664 11.065 -1.553 1.00 1.83 C ATOM 121 O THR A 9 49.480 9.980 -1.038 1.00 1.99 O ATOM 122 CB THR A 9 50.228 11.574 -3.930 1.00 2.96 C ATOM 123 OG1 THR A 9 49.327 10.537 -4.282 1.00 3.33 O ATOM 124 CG2 THR A 9 51.350 11.656 -4.962 1.00 3.88 C ATOM 0 H THR A 9 51.505 9.474 -3.391 1.00 1.92 H new ATOM 0 HA THR A 9 51.410 12.144 -2.225 1.00 2.21 H new ATOM 0 HB THR A 9 49.699 12.527 -3.911 1.00 2.96 H new ATOM 0 HG1 THR A 9 49.774 9.906 -4.884 1.00 3.33 H new ATOM 0 HG21 THR A 9 50.926 11.857 -5.946 1.00 3.88 H new ATOM 0 HG22 THR A 9 52.035 12.460 -4.692 1.00 3.88 H new ATOM 0 HG23 THR A 9 51.892 10.710 -4.987 1.00 3.88 H new ATOM 132 N THR A 10 48.906 12.084 -1.273 1.00 1.84 N ATOM 133 CA THR A 10 47.786 11.937 -0.305 1.00 1.81 C ATOM 134 C THR A 10 46.896 10.777 -0.749 1.00 1.49 C ATOM 135 O THR A 10 46.034 10.327 -0.026 1.00 2.12 O ATOM 136 CB THR A 10 46.969 13.233 -0.299 1.00 2.52 C ATOM 137 OG1 THR A 10 46.402 13.438 -1.586 1.00 3.25 O ATOM 138 CG2 THR A 10 47.876 14.410 0.061 1.00 2.83 C ATOM 0 H THR A 10 49.013 13.016 -1.674 1.00 1.84 H new ATOM 0 HA THR A 10 48.173 11.739 0.695 1.00 1.81 H new ATOM 0 HB THR A 10 46.171 13.158 0.440 1.00 2.52 H new ATOM 0 HG1 THR A 10 45.877 14.266 -1.584 1.00 3.25 H new ATOM 0 HG21 THR A 10 47.293 15.331 0.065 1.00 2.83 H new ATOM 0 HG22 THR A 10 48.306 14.249 1.050 1.00 2.83 H new ATOM 0 HG23 THR A 10 48.677 14.491 -0.674 1.00 2.83 H new ATOM 146 N LEU A 11 47.115 10.290 -1.932 1.00 1.04 N ATOM 147 CA LEU A 11 46.305 9.153 -2.444 1.00 1.34 C ATOM 148 C LEU A 11 46.440 7.915 -1.539 1.00 1.22 C ATOM 149 O LEU A 11 45.493 7.181 -1.337 1.00 1.32 O ATOM 150 CB LEU A 11 46.789 8.827 -3.844 1.00 1.96 C ATOM 151 CG LEU A 11 46.589 10.048 -4.743 1.00 2.55 C ATOM 152 CD1 LEU A 11 46.994 9.704 -6.178 1.00 3.16 C ATOM 153 CD2 LEU A 11 45.115 10.456 -4.719 1.00 3.40 C ATOM 0 H LEU A 11 47.828 10.633 -2.575 1.00 1.04 H new ATOM 0 HA LEU A 11 45.252 9.435 -2.454 1.00 1.34 H new ATOM 0 HB2 LEU A 11 47.842 8.546 -3.821 1.00 1.96 H new ATOM 0 HB3 LEU A 11 46.240 7.974 -4.242 1.00 1.96 H new ATOM 0 HG LEU A 11 47.206 10.870 -4.380 1.00 2.55 H new ATOM 0 HD11 LEU A 11 46.850 10.576 -6.816 1.00 3.16 H new ATOM 0 HD12 LEU A 11 48.043 9.408 -6.199 1.00 3.16 H new ATOM 0 HD13 LEU A 11 46.378 8.882 -6.543 1.00 3.16 H new ATOM 0 HD21 LEU A 11 44.968 11.326 -5.359 1.00 3.40 H new ATOM 0 HD22 LEU A 11 44.503 9.631 -5.083 1.00 3.40 H new ATOM 0 HD23 LEU A 11 44.822 10.702 -3.698 1.00 3.40 H new ATOM 165 N GLU A 12 47.597 7.685 -0.982 1.00 1.29 N ATOM 166 CA GLU A 12 47.785 6.504 -0.078 1.00 1.43 C ATOM 167 C GLU A 12 46.870 6.648 1.136 1.00 1.25 C ATOM 168 O GLU A 12 46.523 5.688 1.806 1.00 1.35 O ATOM 169 CB GLU A 12 49.239 6.412 0.386 1.00 1.83 C ATOM 170 CG GLU A 12 50.138 6.133 -0.819 1.00 2.39 C ATOM 171 CD GLU A 12 51.581 5.952 -0.351 1.00 2.95 C ATOM 172 OE1 GLU A 12 51.842 6.196 0.814 1.00 3.44 O ATOM 173 OE2 GLU A 12 52.402 5.567 -1.168 1.00 3.41 O ATOM 0 H GLU A 12 48.427 8.264 -1.112 1.00 1.29 H new ATOM 0 HA GLU A 12 47.535 5.595 -0.626 1.00 1.43 H new ATOM 0 HB2 GLU A 12 49.538 7.342 0.869 1.00 1.83 H new ATOM 0 HB3 GLU A 12 49.347 5.619 1.126 1.00 1.83 H new ATOM 0 HG2 GLU A 12 49.799 5.237 -1.339 1.00 2.39 H new ATOM 0 HG3 GLU A 12 50.076 6.957 -1.530 1.00 2.39 H new ATOM 180 N GLN A 13 46.514 7.853 1.444 1.00 1.20 N ATOM 181 CA GLN A 13 45.668 8.107 2.633 1.00 1.39 C ATOM 182 C GLN A 13 44.422 7.229 2.557 1.00 1.34 C ATOM 183 O GLN A 13 43.953 6.724 3.558 1.00 1.55 O ATOM 184 CB GLN A 13 45.261 9.571 2.575 1.00 1.50 C ATOM 185 CG GLN A 13 46.525 10.416 2.662 1.00 2.12 C ATOM 186 CD GLN A 13 46.177 11.882 2.467 1.00 2.73 C ATOM 187 OE1 GLN A 13 47.142 12.751 2.384 1.00 3.27 O flip ATOM 188 NE2 GLN A 13 45.022 12.236 2.336 1.00 3.09 N flip ATOM 0 H GLN A 13 46.776 8.686 0.916 1.00 1.20 H new ATOM 0 HA GLN A 13 46.200 7.883 3.557 1.00 1.39 H new ATOM 0 HB2 GLN A 13 44.725 9.781 1.649 1.00 1.50 H new ATOM 0 HB3 GLN A 13 44.585 9.811 3.396 1.00 1.50 H new ATOM 0 HG2 GLN A 13 47.004 10.272 3.630 1.00 2.12 H new ATOM 0 HG3 GLN A 13 47.239 10.098 1.903 1.00 2.12 H new ATOM 0 HE21 GLN A 13 44.268 11.552 2.402 1.00 3.09 H new ATOM 0 HE22 GLN A 13 44.806 13.217 2.160 1.00 3.09 H new ATOM 197 N GLN A 14 43.890 7.009 1.385 1.00 1.19 N ATOM 198 CA GLN A 14 42.697 6.127 1.291 1.00 1.32 C ATOM 199 C GLN A 14 43.071 4.758 1.866 1.00 1.27 C ATOM 200 O GLN A 14 42.328 4.163 2.619 1.00 1.40 O ATOM 201 CB GLN A 14 42.294 5.985 -0.177 1.00 1.43 C ATOM 202 CG GLN A 14 40.963 5.243 -0.281 1.00 2.00 C ATOM 203 CD GLN A 14 40.551 5.151 -1.751 1.00 2.08 C ATOM 204 OE1 GLN A 14 41.171 5.753 -2.606 1.00 2.47 O ATOM 205 NE2 GLN A 14 39.526 4.418 -2.086 1.00 2.41 N ATOM 0 H GLN A 14 44.225 7.396 0.503 1.00 1.19 H new ATOM 0 HA GLN A 14 41.860 6.548 1.848 1.00 1.32 H new ATOM 0 HB2 GLN A 14 42.208 6.970 -0.637 1.00 1.43 H new ATOM 0 HB3 GLN A 14 43.066 5.444 -0.724 1.00 1.43 H new ATOM 0 HG2 GLN A 14 41.056 4.244 0.146 1.00 2.00 H new ATOM 0 HG3 GLN A 14 40.196 5.765 0.292 1.00 2.00 H new ATOM 0 HE21 GLN A 14 39.005 3.912 -1.370 1.00 2.41 H new ATOM 0 HE22 GLN A 14 39.245 4.350 -3.064 1.00 2.41 H new ATOM 214 N TYR A 15 44.249 4.281 1.548 1.00 1.24 N ATOM 215 CA TYR A 15 44.712 2.980 2.109 1.00 1.27 C ATOM 216 C TYR A 15 44.988 3.127 3.600 1.00 1.26 C ATOM 217 O TYR A 15 45.027 2.160 4.326 1.00 1.31 O ATOM 218 CB TYR A 15 46.000 2.500 1.431 1.00 1.44 C ATOM 219 CG TYR A 15 45.757 2.098 -0.006 1.00 1.67 C ATOM 220 CD1 TYR A 15 44.532 2.353 -0.639 1.00 2.06 C ATOM 221 CD2 TYR A 15 46.773 1.427 -0.696 1.00 1.90 C ATOM 222 CE1 TYR A 15 44.333 1.938 -1.963 1.00 2.42 C ATOM 223 CE2 TYR A 15 46.576 1.015 -2.015 1.00 2.17 C ATOM 224 CZ TYR A 15 45.354 1.269 -2.651 1.00 2.33 C ATOM 225 OH TYR A 15 45.156 0.860 -3.954 1.00 2.73 O ATOM 0 H TYR A 15 44.910 4.740 0.922 1.00 1.24 H new ATOM 0 HA TYR A 15 43.922 2.251 1.931 1.00 1.27 H new ATOM 0 HB2 TYR A 15 46.747 3.293 1.466 1.00 1.44 H new ATOM 0 HB3 TYR A 15 46.408 1.653 1.982 1.00 1.44 H new ATOM 0 HD1 TYR A 15 43.745 2.867 -0.108 1.00 2.06 H new ATOM 0 HD2 TYR A 15 47.714 1.227 -0.205 1.00 1.90 H new ATOM 0 HE1 TYR A 15 43.391 2.134 -2.454 1.00 2.42 H new ATOM 0 HE2 TYR A 15 47.365 0.501 -2.544 1.00 2.17 H new ATOM 0 HH TYR A 15 45.964 0.413 -4.283 1.00 2.73 H new ATOM 235 N ASN A 16 45.244 4.322 4.056 1.00 1.33 N ATOM 236 CA ASN A 16 45.597 4.495 5.495 1.00 1.57 C ATOM 237 C ASN A 16 44.602 3.772 6.406 1.00 1.70 C ATOM 238 O ASN A 16 44.999 3.170 7.383 1.00 1.98 O ATOM 239 CB ASN A 16 45.598 5.985 5.843 1.00 1.71 C ATOM 240 CG ASN A 16 46.113 6.176 7.270 1.00 2.09 C ATOM 241 OD1 ASN A 16 45.345 6.427 8.177 1.00 2.49 O ATOM 242 ND2 ASN A 16 47.392 6.069 7.509 1.00 2.39 N ATOM 0 H ASN A 16 45.225 5.178 3.502 1.00 1.33 H new ATOM 0 HA ASN A 16 46.586 4.065 5.653 1.00 1.57 H new ATOM 0 HB2 ASN A 16 46.228 6.533 5.142 1.00 1.71 H new ATOM 0 HB3 ASN A 16 44.591 6.391 5.751 1.00 1.71 H new ATOM 0 HD21 ASN A 16 47.746 6.196 8.457 1.00 2.39 H new ATOM 0 HD22 ASN A 16 48.037 5.858 6.748 1.00 2.39 H new ATOM 249 N LYS A 17 43.328 3.794 6.126 1.00 1.65 N ATOM 250 CA LYS A 17 42.408 3.062 7.043 1.00 1.91 C ATOM 251 C LYS A 17 42.786 1.564 7.051 1.00 1.91 C ATOM 252 O LYS A 17 43.199 1.044 8.067 1.00 2.07 O ATOM 253 CB LYS A 17 40.931 3.273 6.658 1.00 2.06 C ATOM 254 CG LYS A 17 40.817 4.107 5.370 1.00 2.31 C ATOM 255 CD LYS A 17 39.450 3.862 4.720 1.00 2.88 C ATOM 256 CE LYS A 17 39.281 4.788 3.514 1.00 3.41 C ATOM 257 NZ LYS A 17 39.116 3.970 2.278 1.00 4.14 N ATOM 0 H LYS A 17 42.895 4.268 5.333 1.00 1.65 H new ATOM 0 HA LYS A 17 42.521 3.462 8.050 1.00 1.91 H new ATOM 0 HB2 LYS A 17 40.446 2.307 6.516 1.00 2.06 H new ATOM 0 HB3 LYS A 17 40.407 3.776 7.470 1.00 2.06 H new ATOM 0 HG2 LYS A 17 40.938 5.166 5.598 1.00 2.31 H new ATOM 0 HG3 LYS A 17 41.614 3.837 4.678 1.00 2.31 H new ATOM 0 HD2 LYS A 17 39.367 2.821 4.407 1.00 2.88 H new ATOM 0 HD3 LYS A 17 38.655 4.042 5.443 1.00 2.88 H new ATOM 0 HE2 LYS A 17 38.413 5.432 3.655 1.00 3.41 H new ATOM 0 HE3 LYS A 17 40.149 5.440 3.418 1.00 3.41 H new ATOM 0 HZ1 LYS A 17 38.834 4.586 1.489 1.00 4.14 H new ATOM 0 HZ2 LYS A 17 40.016 3.503 2.048 1.00 4.14 H new ATOM 0 HZ3 LYS A 17 38.383 3.249 2.434 1.00 4.14 H new ATOM 271 N PRO A 18 42.678 0.877 5.928 1.00 1.84 N ATOM 272 CA PRO A 18 43.047 -0.565 5.814 1.00 1.88 C ATOM 273 C PRO A 18 44.519 -0.776 5.429 1.00 1.58 C ATOM 274 O PRO A 18 44.914 -1.866 5.075 1.00 1.56 O ATOM 275 CB PRO A 18 42.159 -1.038 4.672 1.00 2.12 C ATOM 276 CG PRO A 18 42.125 0.124 3.744 1.00 2.10 C ATOM 277 CD PRO A 18 42.182 1.374 4.627 1.00 1.89 C ATOM 0 HA PRO A 18 42.917 -1.094 6.758 1.00 1.88 H new ATOM 0 HB2 PRO A 18 42.568 -1.925 4.188 1.00 2.12 H new ATOM 0 HB3 PRO A 18 41.161 -1.299 5.023 1.00 2.12 H new ATOM 0 HG2 PRO A 18 42.968 0.096 3.053 1.00 2.10 H new ATOM 0 HG3 PRO A 18 41.218 0.114 3.140 1.00 2.10 H new ATOM 0 HD2 PRO A 18 42.849 2.127 4.208 1.00 1.89 H new ATOM 0 HD3 PRO A 18 41.200 1.837 4.726 1.00 1.89 H new ATOM 285 N LEU A 19 45.323 0.254 5.420 1.00 1.43 N ATOM 286 CA LEU A 19 46.727 0.058 4.956 1.00 1.25 C ATOM 287 C LEU A 19 47.347 -1.158 5.641 1.00 1.32 C ATOM 288 O LEU A 19 47.920 -2.003 4.985 1.00 1.27 O ATOM 289 CB LEU A 19 47.562 1.303 5.280 1.00 1.40 C ATOM 290 CG LEU A 19 48.976 1.124 4.731 1.00 1.32 C ATOM 291 CD1 LEU A 19 48.954 1.244 3.206 1.00 1.79 C ATOM 292 CD2 LEU A 19 49.892 2.203 5.310 1.00 1.62 C ATOM 0 H LEU A 19 45.077 1.201 5.707 1.00 1.43 H new ATOM 0 HA LEU A 19 46.717 -0.105 3.878 1.00 1.25 H new ATOM 0 HB2 LEU A 19 47.100 2.188 4.843 1.00 1.40 H new ATOM 0 HB3 LEU A 19 47.596 1.461 6.358 1.00 1.40 H new ATOM 0 HG LEU A 19 49.349 0.139 5.014 1.00 1.32 H new ATOM 0 HD11 LEU A 19 49.964 1.116 2.816 1.00 1.79 H new ATOM 0 HD12 LEU A 19 48.304 0.474 2.790 1.00 1.79 H new ATOM 0 HD13 LEU A 19 48.578 2.227 2.924 1.00 1.79 H new ATOM 0 HD21 LEU A 19 50.900 2.073 4.917 1.00 1.62 H new ATOM 0 HD22 LEU A 19 49.517 3.187 5.030 1.00 1.62 H new ATOM 0 HD23 LEU A 19 49.912 2.118 6.397 1.00 1.62 H new ATOM 304 N SER A 20 47.212 -1.305 6.928 1.00 1.56 N ATOM 305 CA SER A 20 47.780 -2.528 7.550 1.00 1.73 C ATOM 306 C SER A 20 46.978 -3.725 7.031 1.00 1.83 C ATOM 307 O SER A 20 47.495 -4.803 6.813 1.00 2.08 O ATOM 308 CB SER A 20 47.661 -2.440 9.072 1.00 2.27 C ATOM 309 OG SER A 20 46.290 -2.511 9.441 1.00 2.30 O ATOM 0 H SER A 20 46.747 -0.652 7.559 1.00 1.56 H new ATOM 0 HA SER A 20 48.834 -2.635 7.295 1.00 1.73 H new ATOM 0 HB2 SER A 20 48.218 -3.252 9.539 1.00 2.27 H new ATOM 0 HB3 SER A 20 48.098 -1.507 9.429 1.00 2.27 H new ATOM 0 HG SER A 20 46.210 -2.457 10.416 1.00 2.30 H new ATOM 315 N ASP A 21 45.705 -3.511 6.824 1.00 1.81 N ATOM 316 CA ASP A 21 44.805 -4.583 6.308 1.00 2.15 C ATOM 317 C ASP A 21 45.193 -5.003 4.883 1.00 2.03 C ATOM 318 O ASP A 21 45.072 -6.155 4.515 1.00 2.38 O ATOM 319 CB ASP A 21 43.361 -4.071 6.325 1.00 2.61 C ATOM 320 CG ASP A 21 42.908 -3.873 7.772 1.00 2.82 C ATOM 321 OD1 ASP A 21 43.604 -4.340 8.659 1.00 3.21 O ATOM 322 OD2 ASP A 21 41.873 -3.257 7.970 1.00 3.16 O ATOM 0 H ASP A 21 45.242 -2.618 6.995 1.00 1.81 H new ATOM 0 HA ASP A 21 44.902 -5.459 6.950 1.00 2.15 H new ATOM 0 HB2 ASP A 21 43.291 -3.130 5.779 1.00 2.61 H new ATOM 0 HB3 ASP A 21 42.706 -4.782 5.821 1.00 2.61 H new ATOM 327 N LEU A 22 45.610 -4.074 4.061 1.00 1.80 N ATOM 328 CA LEU A 22 45.942 -4.429 2.648 1.00 1.92 C ATOM 329 C LEU A 22 47.038 -5.497 2.581 1.00 1.93 C ATOM 330 O LEU A 22 46.982 -6.361 1.743 1.00 2.59 O ATOM 331 CB LEU A 22 46.434 -3.180 1.904 1.00 2.04 C ATOM 332 CG LEU A 22 45.363 -2.088 1.931 1.00 1.87 C ATOM 333 CD1 LEU A 22 45.816 -0.906 1.075 1.00 1.73 C ATOM 334 CD2 LEU A 22 44.049 -2.640 1.373 1.00 2.02 C ATOM 0 H LEU A 22 45.734 -3.091 4.305 1.00 1.80 H new ATOM 0 HA LEU A 22 45.037 -4.823 2.184 1.00 1.92 H new ATOM 0 HB2 LEU A 22 47.350 -2.811 2.365 1.00 2.04 H new ATOM 0 HB3 LEU A 22 46.677 -3.435 0.872 1.00 2.04 H new ATOM 0 HG LEU A 22 45.212 -1.760 2.959 1.00 1.87 H new ATOM 0 HD11 LEU A 22 45.052 -0.129 1.095 1.00 1.73 H new ATOM 0 HD12 LEU A 22 46.750 -0.507 1.471 1.00 1.73 H new ATOM 0 HD13 LEU A 22 45.969 -1.238 0.048 1.00 1.73 H new ATOM 0 HD21 LEU A 22 43.288 -1.859 1.394 1.00 2.02 H new ATOM 0 HD22 LEU A 22 44.201 -2.972 0.346 1.00 2.02 H new ATOM 0 HD23 LEU A 22 43.721 -3.483 1.982 1.00 2.02 H new ATOM 346 N LEU A 23 48.020 -5.425 3.448 1.00 1.72 N ATOM 347 CA LEU A 23 49.158 -6.416 3.457 1.00 2.09 C ATOM 348 C LEU A 23 50.463 -5.619 3.436 1.00 1.62 C ATOM 349 O LEU A 23 50.972 -5.297 2.386 1.00 2.03 O ATOM 350 CB LEU A 23 49.134 -7.347 2.226 1.00 2.90 C ATOM 351 CG LEU A 23 49.284 -6.509 0.929 1.00 3.21 C ATOM 352 CD1 LEU A 23 50.722 -6.596 0.391 1.00 3.38 C ATOM 353 CD2 LEU A 23 48.328 -7.013 -0.170 1.00 3.57 C ATOM 0 H LEU A 23 48.087 -4.706 4.169 1.00 1.72 H new ATOM 0 HA LEU A 23 49.067 -7.041 4.345 1.00 2.09 H new ATOM 0 HB2 LEU A 23 49.942 -8.076 2.294 1.00 2.90 H new ATOM 0 HB3 LEU A 23 48.200 -7.908 2.201 1.00 2.90 H new ATOM 0 HG LEU A 23 49.040 -5.477 1.182 1.00 3.21 H new ATOM 0 HD11 LEU A 23 50.807 -6.002 -0.519 1.00 3.38 H new ATOM 0 HD12 LEU A 23 51.415 -6.213 1.140 1.00 3.38 H new ATOM 0 HD13 LEU A 23 50.965 -7.635 0.170 1.00 3.38 H new ATOM 0 HD21 LEU A 23 48.454 -6.408 -1.068 1.00 3.57 H new ATOM 0 HD22 LEU A 23 48.554 -8.054 -0.400 1.00 3.57 H new ATOM 0 HD23 LEU A 23 47.298 -6.934 0.179 1.00 3.57 H new ATOM 365 N ILE A 24 51.002 -5.255 4.567 1.00 1.27 N ATOM 366 CA ILE A 24 52.252 -4.446 4.522 1.00 1.12 C ATOM 367 C ILE A 24 53.436 -5.169 5.175 1.00 1.05 C ATOM 368 O ILE A 24 53.402 -5.543 6.331 1.00 1.29 O ATOM 369 CB ILE A 24 52.016 -3.143 5.269 1.00 1.36 C ATOM 370 CG1 ILE A 24 50.775 -2.437 4.727 1.00 1.36 C ATOM 371 CG2 ILE A 24 53.223 -2.229 5.068 1.00 2.16 C ATOM 372 CD1 ILE A 24 50.873 -2.308 3.208 1.00 1.37 C ATOM 0 H ILE A 24 50.643 -5.475 5.496 1.00 1.27 H new ATOM 0 HA ILE A 24 52.498 -4.272 3.474 1.00 1.12 H new ATOM 0 HB ILE A 24 51.872 -3.363 6.327 1.00 1.36 H new ATOM 0 HG12 ILE A 24 49.880 -2.998 4.996 1.00 1.36 H new ATOM 0 HG13 ILE A 24 50.681 -1.450 5.179 1.00 1.36 H new ATOM 0 HG21 ILE A 24 53.062 -1.292 5.601 1.00 2.16 H new ATOM 0 HG22 ILE A 24 54.118 -2.717 5.455 1.00 2.16 H new ATOM 0 HG23 ILE A 24 53.352 -2.025 4.005 1.00 2.16 H new ATOM 0 HD11 ILE A 24 49.985 -1.804 2.828 1.00 1.37 H new ATOM 0 HD12 ILE A 24 51.759 -1.728 2.948 1.00 1.37 H new ATOM 0 HD13 ILE A 24 50.946 -3.300 2.763 1.00 1.37 H new ATOM 384 N ARG A 25 54.505 -5.293 4.441 1.00 1.19 N ATOM 385 CA ARG A 25 55.759 -5.904 4.971 1.00 1.26 C ATOM 386 C ARG A 25 56.980 -5.376 4.251 1.00 1.30 C ATOM 387 O ARG A 25 56.914 -4.747 3.214 1.00 1.49 O ATOM 388 CB ARG A 25 55.785 -7.428 4.892 1.00 1.48 C ATOM 389 CG ARG A 25 54.912 -8.042 5.973 1.00 1.66 C ATOM 390 CD ARG A 25 55.041 -9.565 5.893 1.00 2.58 C ATOM 391 NE ARG A 25 53.956 -10.203 6.691 1.00 3.01 N ATOM 392 CZ ARG A 25 52.785 -10.406 6.149 1.00 3.85 C ATOM 393 NH1 ARG A 25 52.568 -10.043 4.914 1.00 4.11 N ATOM 394 NH2 ARG A 25 51.832 -10.969 6.842 1.00 4.65 N ATOM 0 H ARG A 25 54.565 -4.989 3.469 1.00 1.19 H new ATOM 0 HA ARG A 25 55.778 -5.618 6.023 1.00 1.26 H new ATOM 0 HB2 ARG A 25 55.437 -7.751 3.911 1.00 1.48 H new ATOM 0 HB3 ARG A 25 56.809 -7.784 5.000 1.00 1.48 H new ATOM 0 HG2 ARG A 25 55.220 -7.687 6.956 1.00 1.66 H new ATOM 0 HG3 ARG A 25 53.873 -7.742 5.837 1.00 1.66 H new ATOM 0 HD2 ARG A 25 54.982 -9.891 4.854 1.00 2.58 H new ATOM 0 HD3 ARG A 25 56.015 -9.878 6.270 1.00 2.58 H new ATOM 0 HE ARG A 25 54.127 -10.480 7.658 1.00 3.01 H new ATOM 0 HH11 ARG A 25 53.312 -9.602 4.374 1.00 4.11 H new ATOM 0 HH12 ARG A 25 51.654 -10.201 4.489 1.00 4.11 H new ATOM 0 HH21 ARG A 25 52.002 -11.251 7.808 1.00 4.65 H new ATOM 0 HH22 ARG A 25 50.918 -11.127 6.418 1.00 4.65 H new ATOM 408 N CYS A 26 58.096 -5.681 4.815 1.00 1.31 N ATOM 409 CA CYS A 26 59.392 -5.292 4.249 1.00 1.41 C ATOM 410 C CYS A 26 59.788 -6.312 3.204 1.00 1.57 C ATOM 411 O CYS A 26 59.512 -7.478 3.352 1.00 2.11 O ATOM 412 CB CYS A 26 60.381 -5.382 5.386 1.00 1.57 C ATOM 413 SG CYS A 26 60.920 -3.744 5.874 1.00 1.89 S ATOM 0 H CYS A 26 58.163 -6.209 5.685 1.00 1.31 H new ATOM 0 HA CYS A 26 59.359 -4.298 3.803 1.00 1.41 H new ATOM 0 HB2 CYS A 26 59.924 -5.890 6.235 1.00 1.57 H new ATOM 0 HB3 CYS A 26 61.241 -5.980 5.083 1.00 1.57 H new ATOM 418 N ILE A 27 60.445 -5.908 2.169 1.00 1.45 N ATOM 419 CA ILE A 27 60.872 -6.905 1.167 1.00 1.64 C ATOM 420 C ILE A 27 61.867 -7.860 1.847 1.00 1.67 C ATOM 421 O ILE A 27 62.033 -8.994 1.443 1.00 1.95 O ATOM 422 CB ILE A 27 61.526 -6.198 -0.019 1.00 1.67 C ATOM 423 CG1 ILE A 27 61.552 -7.135 -1.221 1.00 1.81 C ATOM 424 CG2 ILE A 27 62.962 -5.814 0.326 1.00 2.00 C ATOM 425 CD1 ILE A 27 61.761 -6.315 -2.498 1.00 2.10 C ATOM 0 H ILE A 27 60.704 -4.941 1.972 1.00 1.45 H new ATOM 0 HA ILE A 27 60.017 -7.467 0.792 1.00 1.64 H new ATOM 0 HB ILE A 27 60.951 -5.302 -0.251 1.00 1.67 H new ATOM 0 HG12 ILE A 27 62.353 -7.866 -1.109 1.00 1.81 H new ATOM 0 HG13 ILE A 27 60.617 -7.693 -1.282 1.00 1.81 H new ATOM 0 HG21 ILE A 27 63.419 -5.311 -0.526 1.00 2.00 H new ATOM 0 HG22 ILE A 27 62.963 -5.144 1.186 1.00 2.00 H new ATOM 0 HG23 ILE A 27 63.531 -6.712 0.565 1.00 2.00 H new ATOM 0 HD11 ILE A 27 61.780 -6.982 -3.360 1.00 2.10 H new ATOM 0 HD12 ILE A 27 60.945 -5.601 -2.610 1.00 2.10 H new ATOM 0 HD13 ILE A 27 62.707 -5.777 -2.434 1.00 2.10 H new ATOM 437 N ASN A 28 62.552 -7.390 2.874 1.00 1.47 N ATOM 438 CA ASN A 28 63.557 -8.255 3.567 1.00 1.57 C ATOM 439 C ASN A 28 63.121 -8.563 5.010 1.00 1.50 C ATOM 440 O ASN A 28 63.155 -9.695 5.443 1.00 1.65 O ATOM 441 CB ASN A 28 64.919 -7.525 3.603 1.00 1.59 C ATOM 442 CG ASN A 28 65.302 -7.164 5.050 1.00 1.79 C ATOM 443 OD1 ASN A 28 65.341 -8.023 5.908 1.00 2.59 O ATOM 444 ND2 ASN A 28 65.594 -5.932 5.357 1.00 1.54 N ATOM 0 H ASN A 28 62.454 -6.449 3.255 1.00 1.47 H new ATOM 0 HA ASN A 28 63.639 -9.193 3.018 1.00 1.57 H new ATOM 0 HB2 ASN A 28 65.689 -8.159 3.165 1.00 1.59 H new ATOM 0 HB3 ASN A 28 64.869 -6.620 2.998 1.00 1.59 H new ATOM 0 HD21 ASN A 28 65.854 -5.693 6.314 1.00 1.54 H new ATOM 0 HD22 ASN A 28 65.563 -5.207 4.640 1.00 1.54 H new ATOM 451 N CYS A 29 62.755 -7.558 5.767 1.00 1.37 N ATOM 452 CA CYS A 29 62.357 -7.798 7.183 1.00 1.40 C ATOM 453 C CYS A 29 61.024 -8.544 7.187 1.00 1.47 C ATOM 454 O CYS A 29 60.707 -9.295 8.086 1.00 1.58 O ATOM 455 CB CYS A 29 62.254 -6.458 7.935 1.00 1.36 C ATOM 456 SG CYS A 29 63.732 -5.448 7.625 1.00 1.22 S ATOM 0 H CYS A 29 62.716 -6.585 5.464 1.00 1.37 H new ATOM 0 HA CYS A 29 63.106 -8.403 7.694 1.00 1.40 H new ATOM 0 HB2 CYS A 29 61.363 -5.920 7.613 1.00 1.36 H new ATOM 0 HB3 CYS A 29 62.147 -6.640 9.004 1.00 1.36 H new ATOM 461 N GLN A 30 60.270 -8.355 6.146 1.00 1.57 N ATOM 462 CA GLN A 30 58.959 -9.043 5.985 1.00 1.73 C ATOM 463 C GLN A 30 57.941 -8.619 7.041 1.00 1.52 C ATOM 464 O GLN A 30 57.469 -7.499 7.080 1.00 1.60 O ATOM 465 CB GLN A 30 59.159 -10.555 6.102 1.00 2.31 C ATOM 466 CG GLN A 30 60.269 -10.951 5.156 1.00 2.81 C ATOM 467 CD GLN A 30 59.943 -10.420 3.772 1.00 2.89 C ATOM 468 OE1 GLN A 30 60.533 -9.332 3.383 1.00 3.60 O flip ATOM 469 NE2 GLN A 30 59.086 -10.940 3.085 1.00 2.36 N flip ATOM 0 H GLN A 30 60.514 -7.733 5.375 1.00 1.57 H new ATOM 0 HA GLN A 30 58.574 -8.765 5.004 1.00 1.73 H new ATOM 0 HB2 GLN A 30 59.415 -10.828 7.126 1.00 2.31 H new ATOM 0 HB3 GLN A 30 58.238 -11.082 5.852 1.00 2.31 H new ATOM 0 HG2 GLN A 30 61.221 -10.547 5.501 1.00 2.81 H new ATOM 0 HG3 GLN A 30 60.374 -12.036 5.129 1.00 2.81 H new ATOM 0 HE21 GLN A 30 58.629 -11.795 3.401 1.00 2.36 H new ATOM 0 HE22 GLN A 30 58.824 -10.521 2.193 1.00 2.36 H new ATOM 478 N LYS A 31 57.585 -9.551 7.871 1.00 1.59 N ATOM 479 CA LYS A 31 56.562 -9.310 8.937 1.00 1.76 C ATOM 480 C LYS A 31 56.879 -8.069 9.749 1.00 1.63 C ATOM 481 O LYS A 31 56.129 -7.112 9.771 1.00 1.55 O ATOM 482 CB LYS A 31 56.516 -10.522 9.872 1.00 2.14 C ATOM 483 CG LYS A 31 55.298 -11.383 9.537 1.00 2.77 C ATOM 484 CD LYS A 31 55.311 -12.642 10.405 1.00 3.21 C ATOM 485 CE LYS A 31 54.219 -13.601 9.929 1.00 3.63 C ATOM 486 NZ LYS A 31 54.597 -14.161 8.601 1.00 4.30 N ATOM 0 H LYS A 31 57.966 -10.497 7.861 1.00 1.59 H new ATOM 0 HA LYS A 31 55.598 -9.160 8.452 1.00 1.76 H new ATOM 0 HB2 LYS A 31 57.429 -11.109 9.768 1.00 2.14 H new ATOM 0 HB3 LYS A 31 56.466 -10.192 10.910 1.00 2.14 H new ATOM 0 HG2 LYS A 31 54.382 -10.819 9.709 1.00 2.77 H new ATOM 0 HG3 LYS A 31 55.311 -11.655 8.482 1.00 2.77 H new ATOM 0 HD2 LYS A 31 56.286 -13.126 10.347 1.00 3.21 H new ATOM 0 HD3 LYS A 31 55.148 -12.378 11.450 1.00 3.21 H new ATOM 0 HE2 LYS A 31 54.087 -14.406 10.651 1.00 3.63 H new ATOM 0 HE3 LYS A 31 53.266 -13.077 9.857 1.00 3.63 H new ATOM 0 HZ1 LYS A 31 54.101 -15.063 8.450 1.00 4.30 H new ATOM 0 HZ2 LYS A 31 54.330 -13.490 7.853 1.00 4.30 H new ATOM 0 HZ3 LYS A 31 55.624 -14.322 8.572 1.00 4.30 H new ATOM 500 N PRO A 32 57.976 -8.100 10.418 1.00 1.86 N ATOM 501 CA PRO A 32 58.437 -6.979 11.280 1.00 1.88 C ATOM 502 C PRO A 32 58.563 -5.658 10.528 1.00 1.60 C ATOM 503 O PRO A 32 59.645 -5.257 10.144 1.00 1.77 O ATOM 504 CB PRO A 32 59.815 -7.430 11.737 1.00 2.42 C ATOM 505 CG PRO A 32 60.201 -8.552 10.838 1.00 2.64 C ATOM 506 CD PRO A 32 58.914 -9.220 10.438 1.00 2.33 C ATOM 0 HA PRO A 32 57.728 -6.787 12.086 1.00 1.88 H new ATOM 0 HB2 PRO A 32 60.534 -6.613 11.672 1.00 2.42 H new ATOM 0 HB3 PRO A 32 59.794 -7.754 12.778 1.00 2.42 H new ATOM 0 HG2 PRO A 32 60.739 -8.185 9.964 1.00 2.64 H new ATOM 0 HG3 PRO A 32 60.862 -9.252 11.349 1.00 2.64 H new ATOM 0 HD2 PRO A 32 58.992 -9.703 9.464 1.00 2.33 H new ATOM 0 HD3 PRO A 32 58.615 -9.988 11.151 1.00 2.33 H new ATOM 514 N LEU A 33 57.486 -4.974 10.307 1.00 1.52 N ATOM 515 CA LEU A 33 57.599 -3.691 9.577 1.00 1.36 C ATOM 516 C LEU A 33 57.212 -2.586 10.537 1.00 1.51 C ATOM 517 O LEU A 33 56.135 -2.577 11.098 1.00 1.67 O ATOM 518 CB LEU A 33 56.646 -3.754 8.386 1.00 1.30 C ATOM 519 CG LEU A 33 57.022 -2.750 7.307 1.00 1.27 C ATOM 520 CD1 LEU A 33 58.360 -3.164 6.676 1.00 1.49 C ATOM 521 CD2 LEU A 33 55.943 -2.783 6.220 1.00 1.22 C ATOM 0 H LEU A 33 56.545 -5.241 10.595 1.00 1.52 H new ATOM 0 HA LEU A 33 58.608 -3.503 9.211 1.00 1.36 H new ATOM 0 HB2 LEU A 33 56.656 -4.760 7.966 1.00 1.30 H new ATOM 0 HB3 LEU A 33 55.628 -3.560 8.724 1.00 1.30 H new ATOM 0 HG LEU A 33 57.106 -1.752 7.738 1.00 1.27 H new ATOM 0 HD11 LEU A 33 58.634 -2.448 5.902 1.00 1.49 H new ATOM 0 HD12 LEU A 33 59.134 -3.183 7.443 1.00 1.49 H new ATOM 0 HD13 LEU A 33 58.263 -4.156 6.234 1.00 1.49 H new ATOM 0 HD21 LEU A 33 56.195 -2.069 5.436 1.00 1.22 H new ATOM 0 HD22 LEU A 33 55.886 -3.785 5.794 1.00 1.22 H new ATOM 0 HD23 LEU A 33 54.979 -2.519 6.656 1.00 1.22 H new ATOM 533 N SER A 34 58.080 -1.643 10.717 1.00 1.76 N ATOM 534 CA SER A 34 57.765 -0.530 11.615 1.00 2.16 C ATOM 535 C SER A 34 56.905 0.416 10.812 1.00 1.87 C ATOM 536 O SER A 34 57.277 0.819 9.728 1.00 2.08 O ATOM 537 CB SER A 34 59.053 0.172 12.049 1.00 2.81 C ATOM 538 OG SER A 34 59.733 0.662 10.901 1.00 3.00 O ATOM 0 H SER A 34 58.998 -1.601 10.275 1.00 1.76 H new ATOM 0 HA SER A 34 57.255 -0.870 12.516 1.00 2.16 H new ATOM 0 HB2 SER A 34 58.822 0.994 12.727 1.00 2.81 H new ATOM 0 HB3 SER A 34 59.692 -0.522 12.595 1.00 2.81 H new ATOM 0 HG SER A 34 59.079 0.922 10.219 1.00 3.00 H new ATOM 544 N PRO A 35 55.768 0.770 11.302 1.00 1.68 N ATOM 545 CA PRO A 35 54.890 1.672 10.557 1.00 1.66 C ATOM 546 C PRO A 35 55.633 2.954 10.266 1.00 1.64 C ATOM 547 O PRO A 35 55.222 3.767 9.462 1.00 1.75 O ATOM 548 CB PRO A 35 53.677 1.894 11.451 1.00 1.96 C ATOM 549 CG PRO A 35 54.005 1.298 12.779 1.00 1.96 C ATOM 550 CD PRO A 35 55.206 0.373 12.595 1.00 1.89 C ATOM 0 HA PRO A 35 54.575 1.269 9.594 1.00 1.66 H new ATOM 0 HB2 PRO A 35 53.458 2.957 11.548 1.00 1.96 H new ATOM 0 HB3 PRO A 35 52.791 1.424 11.024 1.00 1.96 H new ATOM 0 HG2 PRO A 35 54.234 2.081 13.502 1.00 1.96 H new ATOM 0 HG3 PRO A 35 53.152 0.743 13.169 1.00 1.96 H new ATOM 0 HD2 PRO A 35 55.931 0.496 13.400 1.00 1.89 H new ATOM 0 HD3 PRO A 35 54.906 -0.675 12.594 1.00 1.89 H new ATOM 558 N GLU A 36 56.747 3.125 10.915 1.00 1.81 N ATOM 559 CA GLU A 36 57.542 4.346 10.671 1.00 1.95 C ATOM 560 C GLU A 36 57.984 4.356 9.213 1.00 1.85 C ATOM 561 O GLU A 36 57.942 5.373 8.552 1.00 1.94 O ATOM 562 CB GLU A 36 58.776 4.344 11.577 1.00 2.12 C ATOM 563 CG GLU A 36 59.522 5.672 11.431 1.00 2.36 C ATOM 564 CD GLU A 36 60.810 5.628 12.258 1.00 2.59 C ATOM 565 OE1 GLU A 36 61.068 4.599 12.861 1.00 2.87 O ATOM 566 OE2 GLU A 36 61.514 6.625 12.274 1.00 3.01 O ATOM 0 H GLU A 36 57.136 2.475 11.598 1.00 1.81 H new ATOM 0 HA GLU A 36 56.941 5.230 10.886 1.00 1.95 H new ATOM 0 HB2 GLU A 36 58.478 4.195 12.615 1.00 2.12 H new ATOM 0 HB3 GLU A 36 59.433 3.515 11.312 1.00 2.12 H new ATOM 0 HG2 GLU A 36 59.757 5.856 10.383 1.00 2.36 H new ATOM 0 HG3 GLU A 36 58.890 6.495 11.766 1.00 2.36 H new ATOM 573 N GLU A 37 58.382 3.226 8.685 1.00 1.70 N ATOM 574 CA GLU A 37 58.781 3.209 7.257 1.00 1.67 C ATOM 575 C GLU A 37 57.519 3.340 6.399 1.00 1.48 C ATOM 576 O GLU A 37 57.492 4.004 5.367 1.00 1.59 O ATOM 577 CB GLU A 37 59.522 1.910 6.954 1.00 1.67 C ATOM 578 CG GLU A 37 60.819 1.868 7.765 1.00 1.99 C ATOM 579 CD GLU A 37 61.601 0.603 7.409 1.00 1.90 C ATOM 580 OE1 GLU A 37 61.053 -0.232 6.709 1.00 2.26 O ATOM 581 OE2 GLU A 37 62.736 0.490 7.843 1.00 2.37 O ATOM 0 H GLU A 37 58.445 2.334 9.175 1.00 1.70 H new ATOM 0 HA GLU A 37 59.450 4.040 7.032 1.00 1.67 H new ATOM 0 HB2 GLU A 37 58.896 1.054 7.203 1.00 1.67 H new ATOM 0 HB3 GLU A 37 59.743 1.844 5.889 1.00 1.67 H new ATOM 0 HG2 GLU A 37 61.421 2.752 7.555 1.00 1.99 H new ATOM 0 HG3 GLU A 37 60.594 1.882 8.832 1.00 1.99 H new ATOM 588 N LYS A 38 56.452 2.725 6.846 1.00 1.32 N ATOM 589 CA LYS A 38 55.179 2.813 6.098 1.00 1.27 C ATOM 590 C LYS A 38 54.857 4.287 6.050 1.00 1.38 C ATOM 591 O LYS A 38 54.371 4.824 5.070 1.00 1.50 O ATOM 592 CB LYS A 38 54.061 2.125 6.889 1.00 1.37 C ATOM 593 CG LYS A 38 54.389 0.652 7.127 1.00 1.46 C ATOM 594 CD LYS A 38 53.199 -0.010 7.835 1.00 1.59 C ATOM 595 CE LYS A 38 53.627 -1.366 8.394 1.00 1.90 C ATOM 596 NZ LYS A 38 52.552 -2.367 8.161 1.00 2.54 N ATOM 0 H LYS A 38 56.416 2.167 7.699 1.00 1.32 H new ATOM 0 HA LYS A 38 55.261 2.348 5.115 1.00 1.27 H new ATOM 0 HB2 LYS A 38 53.923 2.630 7.845 1.00 1.37 H new ATOM 0 HB3 LYS A 38 53.120 2.209 6.345 1.00 1.37 H new ATOM 0 HG2 LYS A 38 54.591 0.152 6.180 1.00 1.46 H new ATOM 0 HG3 LYS A 38 55.289 0.559 7.734 1.00 1.46 H new ATOM 0 HD2 LYS A 38 52.840 0.630 8.641 1.00 1.59 H new ATOM 0 HD3 LYS A 38 52.372 -0.138 7.137 1.00 1.59 H new ATOM 0 HE2 LYS A 38 54.551 -1.692 7.916 1.00 1.90 H new ATOM 0 HE3 LYS A 38 53.833 -1.281 9.461 1.00 1.90 H new ATOM 0 HZ1 LYS A 38 52.122 -2.633 9.070 1.00 2.54 H new ATOM 0 HZ2 LYS A 38 51.825 -1.957 7.541 1.00 2.54 H new ATOM 0 HZ3 LYS A 38 52.956 -3.212 7.709 1.00 2.54 H new ATOM 610 N GLN A 39 55.141 4.942 7.143 1.00 1.46 N ATOM 611 CA GLN A 39 54.876 6.385 7.229 1.00 1.71 C ATOM 612 C GLN A 39 55.661 7.116 6.155 1.00 1.74 C ATOM 613 O GLN A 39 55.165 8.027 5.528 1.00 1.79 O ATOM 614 CB GLN A 39 55.265 6.907 8.619 1.00 1.96 C ATOM 615 CG GLN A 39 54.831 8.361 8.715 1.00 2.19 C ATOM 616 CD GLN A 39 53.318 8.393 8.619 1.00 2.55 C ATOM 617 OE1 GLN A 39 52.798 8.396 7.431 1.00 2.62 O flip ATOM 618 NE2 GLN A 39 52.616 8.336 9.609 1.00 3.07 N flip ATOM 0 H GLN A 39 55.548 4.526 7.980 1.00 1.46 H new ATOM 0 HA GLN A 39 53.812 6.564 7.073 1.00 1.71 H new ATOM 0 HB2 GLN A 39 54.784 6.314 9.397 1.00 1.96 H new ATOM 0 HB3 GLN A 39 56.341 6.820 8.771 1.00 1.96 H new ATOM 0 HG2 GLN A 39 55.165 8.799 9.656 1.00 2.19 H new ATOM 0 HG3 GLN A 39 55.278 8.948 7.913 1.00 2.19 H new ATOM 0 HE21 GLN A 39 53.041 8.335 10.536 1.00 3.07 H new ATOM 0 HE22 GLN A 39 51.602 8.290 9.513 1.00 3.07 H new ATOM 627 N ARG A 40 56.876 6.720 5.919 1.00 1.82 N ATOM 628 CA ARG A 40 57.661 7.402 4.864 1.00 1.99 C ATOM 629 C ARG A 40 56.929 7.278 3.526 1.00 1.81 C ATOM 630 O ARG A 40 56.862 8.215 2.744 1.00 1.83 O ATOM 631 CB ARG A 40 59.040 6.751 4.747 1.00 2.15 C ATOM 632 CG ARG A 40 59.880 7.524 3.729 1.00 2.77 C ATOM 633 CD ARG A 40 61.237 6.840 3.557 1.00 3.13 C ATOM 634 NE ARG A 40 62.090 7.654 2.645 1.00 3.94 N ATOM 635 CZ ARG A 40 62.886 8.566 3.133 1.00 4.40 C ATOM 636 NH1 ARG A 40 62.935 8.771 4.422 1.00 5.07 N ATOM 637 NH2 ARG A 40 63.631 9.276 2.331 1.00 4.47 N ATOM 0 H ARG A 40 57.354 5.962 6.406 1.00 1.82 H new ATOM 0 HA ARG A 40 57.777 8.454 5.124 1.00 1.99 H new ATOM 0 HB2 ARG A 40 59.537 6.747 5.717 1.00 2.15 H new ATOM 0 HB3 ARG A 40 58.939 5.711 4.437 1.00 2.15 H new ATOM 0 HG2 ARG A 40 59.360 7.568 2.772 1.00 2.77 H new ATOM 0 HG3 ARG A 40 60.020 8.552 4.064 1.00 2.77 H new ATOM 0 HD2 ARG A 40 61.725 6.727 4.525 1.00 3.13 H new ATOM 0 HD3 ARG A 40 61.103 5.838 3.149 1.00 3.13 H new ATOM 0 HE ARG A 40 62.052 7.498 1.638 1.00 3.94 H new ATOM 0 HH11 ARG A 40 62.351 8.218 5.049 1.00 5.07 H new ATOM 0 HH12 ARG A 40 63.558 9.484 4.802 1.00 5.07 H new ATOM 0 HH21 ARG A 40 63.591 9.118 1.324 1.00 4.47 H new ATOM 0 HH22 ARG A 40 64.254 9.989 2.711 1.00 4.47 H new ATOM 651 N HIS A 41 56.370 6.127 3.246 1.00 1.68 N ATOM 652 CA HIS A 41 55.657 5.988 1.941 1.00 1.59 C ATOM 653 C HIS A 41 54.475 6.947 1.948 1.00 1.52 C ATOM 654 O HIS A 41 54.241 7.683 1.010 1.00 1.52 O ATOM 655 CB HIS A 41 55.196 4.541 1.728 1.00 1.56 C ATOM 656 CG HIS A 41 56.343 3.636 2.061 1.00 1.94 C ATOM 657 ND1 HIS A 41 57.656 3.982 1.793 1.00 2.88 N ATOM 658 CD2 HIS A 41 56.395 2.412 2.674 1.00 2.25 C ATOM 659 CE1 HIS A 41 58.437 2.990 2.250 1.00 3.42 C ATOM 660 NE2 HIS A 41 57.719 2.005 2.794 1.00 3.04 N ATOM 0 H HIS A 41 56.375 5.301 3.844 1.00 1.68 H new ATOM 0 HA HIS A 41 56.326 6.234 1.116 1.00 1.59 H new ATOM 0 HB2 HIS A 41 54.338 4.317 2.362 1.00 1.56 H new ATOM 0 HB3 HIS A 41 54.879 4.390 0.696 1.00 1.56 H new ATOM 0 HD1 HIS A 41 57.973 4.835 1.332 1.00 2.88 H new ATOM 0 HD2 HIS A 41 55.538 1.849 3.013 1.00 2.25 H new ATOM 0 HE1 HIS A 41 59.515 2.989 2.185 1.00 3.42 H new ATOM 668 N LEU A 42 53.758 6.970 3.034 1.00 1.58 N ATOM 669 CA LEU A 42 52.613 7.907 3.164 1.00 1.66 C ATOM 670 C LEU A 42 53.157 9.341 3.127 1.00 1.75 C ATOM 671 O LEU A 42 52.523 10.257 2.641 1.00 1.80 O ATOM 672 CB LEU A 42 51.934 7.658 4.512 1.00 1.86 C ATOM 673 CG LEU A 42 51.493 6.194 4.619 1.00 1.69 C ATOM 674 CD1 LEU A 42 50.796 5.962 5.966 1.00 1.81 C ATOM 675 CD2 LEU A 42 50.518 5.868 3.486 1.00 2.19 C ATOM 0 H LEU A 42 53.919 6.373 3.845 1.00 1.58 H new ATOM 0 HA LEU A 42 51.897 7.759 2.356 1.00 1.66 H new ATOM 0 HB2 LEU A 42 52.621 7.899 5.324 1.00 1.86 H new ATOM 0 HB3 LEU A 42 51.071 8.314 4.619 1.00 1.86 H new ATOM 0 HG LEU A 42 52.369 5.550 4.545 1.00 1.69 H new ATOM 0 HD11 LEU A 42 50.484 4.920 6.039 1.00 1.81 H new ATOM 0 HD12 LEU A 42 51.487 6.192 6.777 1.00 1.81 H new ATOM 0 HD13 LEU A 42 49.922 6.609 6.040 1.00 1.81 H new ATOM 0 HD21 LEU A 42 50.205 4.827 3.563 1.00 2.19 H new ATOM 0 HD22 LEU A 42 49.644 6.516 3.560 1.00 2.19 H new ATOM 0 HD23 LEU A 42 51.009 6.029 2.526 1.00 2.19 H new ATOM 687 N ASP A 43 54.333 9.528 3.675 1.00 1.82 N ATOM 688 CA ASP A 43 54.959 10.876 3.731 1.00 1.99 C ATOM 689 C ASP A 43 55.136 11.437 2.337 1.00 1.95 C ATOM 690 O ASP A 43 54.970 12.616 2.139 1.00 1.91 O ATOM 691 CB ASP A 43 56.322 10.791 4.418 1.00 2.19 C ATOM 692 CG ASP A 43 56.129 10.414 5.887 1.00 1.83 C ATOM 693 OD1 ASP A 43 55.003 10.480 6.352 1.00 2.19 O ATOM 694 OD2 ASP A 43 57.111 10.066 6.524 1.00 2.13 O ATOM 0 H ASP A 43 54.893 8.785 4.093 1.00 1.82 H new ATOM 0 HA ASP A 43 54.303 11.536 4.300 1.00 1.99 H new ATOM 0 HB2 ASP A 43 56.947 10.049 3.920 1.00 2.19 H new ATOM 0 HB3 ASP A 43 56.840 11.747 4.342 1.00 2.19 H new ATOM 699 N LYS A 44 55.477 10.592 1.391 1.00 2.03 N ATOM 700 CA LYS A 44 55.678 11.036 -0.030 1.00 2.08 C ATOM 701 C LYS A 44 57.000 10.478 -0.549 1.00 2.20 C ATOM 702 O LYS A 44 57.929 11.205 -0.840 1.00 2.39 O ATOM 703 CB LYS A 44 55.691 12.567 -0.136 1.00 2.28 C ATOM 704 CG LYS A 44 55.781 13.002 -1.593 1.00 2.54 C ATOM 705 CD LYS A 44 54.422 12.767 -2.252 1.00 2.18 C ATOM 706 CE LYS A 44 54.347 13.530 -3.578 1.00 2.40 C ATOM 707 NZ LYS A 44 55.649 14.203 -3.846 1.00 2.96 N ATOM 0 H LYS A 44 55.627 9.595 1.546 1.00 2.03 H new ATOM 0 HA LYS A 44 54.849 10.660 -0.630 1.00 2.08 H new ATOM 0 HB2 LYS A 44 54.788 12.976 0.316 1.00 2.28 H new ATOM 0 HB3 LYS A 44 56.537 12.969 0.422 1.00 2.28 H new ATOM 0 HG2 LYS A 44 56.057 14.054 -1.658 1.00 2.54 H new ATOM 0 HG3 LYS A 44 56.556 12.437 -2.110 1.00 2.54 H new ATOM 0 HD2 LYS A 44 54.272 11.702 -2.426 1.00 2.18 H new ATOM 0 HD3 LYS A 44 53.624 13.097 -1.587 1.00 2.18 H new ATOM 0 HE2 LYS A 44 54.108 12.844 -4.390 1.00 2.40 H new ATOM 0 HE3 LYS A 44 53.546 14.269 -3.539 1.00 2.40 H new ATOM 0 HZ1 LYS A 44 55.660 14.561 -4.822 1.00 2.96 H new ATOM 0 HZ2 LYS A 44 55.772 14.996 -3.185 1.00 2.96 H new ATOM 0 HZ3 LYS A 44 56.425 13.522 -3.718 1.00 2.96 H new ATOM 721 N LYS A 45 57.075 9.185 -0.683 1.00 2.16 N ATOM 722 CA LYS A 45 58.322 8.550 -1.205 1.00 2.37 C ATOM 723 C LYS A 45 58.396 8.776 -2.711 1.00 2.47 C ATOM 724 O LYS A 45 57.391 8.777 -3.389 1.00 2.66 O ATOM 725 CB LYS A 45 58.317 7.050 -0.924 1.00 2.31 C ATOM 726 CG LYS A 45 59.677 6.464 -1.310 1.00 2.69 C ATOM 727 CD LYS A 45 59.657 4.948 -1.110 1.00 2.22 C ATOM 728 CE LYS A 45 61.052 4.379 -1.373 1.00 2.39 C ATOM 729 NZ LYS A 45 61.515 4.803 -2.724 1.00 2.67 N ATOM 0 H LYS A 45 56.324 8.535 -0.453 1.00 2.16 H new ATOM 0 HA LYS A 45 59.184 8.997 -0.709 1.00 2.37 H new ATOM 0 HB2 LYS A 45 58.114 6.866 0.131 1.00 2.31 H new ATOM 0 HB3 LYS A 45 57.523 6.564 -1.491 1.00 2.31 H new ATOM 0 HG2 LYS A 45 59.905 6.701 -2.349 1.00 2.69 H new ATOM 0 HG3 LYS A 45 60.463 6.911 -0.701 1.00 2.69 H new ATOM 0 HD2 LYS A 45 59.341 4.709 -0.095 1.00 2.22 H new ATOM 0 HD3 LYS A 45 58.933 4.491 -1.785 1.00 2.22 H new ATOM 0 HE2 LYS A 45 61.749 4.729 -0.612 1.00 2.39 H new ATOM 0 HE3 LYS A 45 61.031 3.291 -1.309 1.00 2.39 H new ATOM 0 HZ1 LYS A 45 62.320 4.213 -3.016 1.00 2.67 H new ATOM 0 HZ2 LYS A 45 60.739 4.692 -3.407 1.00 2.67 H new ATOM 0 HZ3 LYS A 45 61.809 5.800 -2.693 1.00 2.67 H new ATOM 743 N GLN A 46 59.561 8.986 -3.255 1.00 2.69 N ATOM 744 CA GLN A 46 59.625 9.226 -4.721 1.00 2.87 C ATOM 745 C GLN A 46 58.978 8.042 -5.443 1.00 2.61 C ATOM 746 O GLN A 46 58.258 8.218 -6.405 1.00 3.00 O ATOM 747 CB GLN A 46 61.087 9.345 -5.153 1.00 3.28 C ATOM 748 CG GLN A 46 61.712 10.577 -4.501 1.00 3.71 C ATOM 749 CD GLN A 46 63.185 10.669 -4.896 1.00 3.83 C ATOM 750 OE1 GLN A 46 63.747 9.727 -5.422 1.00 3.94 O ATOM 751 NE2 GLN A 46 63.841 11.768 -4.654 1.00 4.24 N ATOM 0 H GLN A 46 60.453 9.002 -2.761 1.00 2.69 H new ATOM 0 HA GLN A 46 59.098 10.147 -4.970 1.00 2.87 H new ATOM 0 HB2 GLN A 46 61.637 8.449 -4.864 1.00 3.28 H new ATOM 0 HB3 GLN A 46 61.151 9.423 -6.238 1.00 3.28 H new ATOM 0 HG2 GLN A 46 61.183 11.476 -4.816 1.00 3.71 H new ATOM 0 HG3 GLN A 46 61.618 10.515 -3.417 1.00 3.71 H new ATOM 0 HE21 GLN A 46 63.369 12.557 -4.213 1.00 4.24 H new ATOM 0 HE22 GLN A 46 64.827 11.839 -4.906 1.00 4.24 H new ATOM 760 N ARG A 47 59.183 6.840 -4.969 1.00 2.22 N ATOM 761 CA ARG A 47 58.520 5.679 -5.628 1.00 2.31 C ATOM 762 C ARG A 47 58.289 4.535 -4.640 1.00 1.97 C ATOM 763 O ARG A 47 59.218 3.977 -4.090 1.00 2.14 O ATOM 764 CB ARG A 47 59.380 5.176 -6.786 1.00 2.57 C ATOM 765 CG ARG A 47 59.427 6.242 -7.875 1.00 3.35 C ATOM 766 CD ARG A 47 60.178 5.698 -9.089 1.00 3.42 C ATOM 767 NE ARG A 47 60.360 6.794 -10.076 1.00 3.40 N ATOM 768 CZ ARG A 47 61.481 7.462 -10.124 1.00 3.48 C ATOM 769 NH1 ARG A 47 62.446 7.190 -9.286 1.00 3.60 N ATOM 770 NH2 ARG A 47 61.634 8.413 -11.003 1.00 3.72 N ATOM 0 H ARG A 47 59.772 6.615 -4.167 1.00 2.22 H new ATOM 0 HA ARG A 47 57.553 6.016 -6.001 1.00 2.31 H new ATOM 0 HB2 ARG A 47 60.388 4.952 -6.436 1.00 2.57 H new ATOM 0 HB3 ARG A 47 58.968 4.249 -7.185 1.00 2.57 H new ATOM 0 HG2 ARG A 47 58.415 6.531 -8.160 1.00 3.35 H new ATOM 0 HG3 ARG A 47 59.921 7.138 -7.500 1.00 3.35 H new ATOM 0 HD2 ARG A 47 61.146 5.300 -8.785 1.00 3.42 H new ATOM 0 HD3 ARG A 47 59.622 4.875 -9.538 1.00 3.42 H new ATOM 0 HE ARG A 47 59.604 7.026 -10.720 1.00 3.40 H new ATOM 0 HH11 ARG A 47 62.325 6.453 -8.591 1.00 3.60 H new ATOM 0 HH12 ARG A 47 63.320 7.714 -9.327 1.00 3.60 H new ATOM 0 HH21 ARG A 47 60.879 8.634 -11.652 1.00 3.72 H new ATOM 0 HH22 ARG A 47 62.509 8.936 -11.042 1.00 3.72 H new ATOM 784 N PHE A 48 57.061 4.141 -4.467 1.00 1.61 N ATOM 785 CA PHE A 48 56.759 2.978 -3.581 1.00 1.32 C ATOM 786 C PHE A 48 56.127 1.919 -4.491 1.00 1.24 C ATOM 787 O PHE A 48 55.326 2.257 -5.331 1.00 1.22 O ATOM 788 CB PHE A 48 55.812 3.419 -2.450 1.00 1.14 C ATOM 789 CG PHE A 48 55.680 2.364 -1.366 1.00 1.07 C ATOM 790 CD1 PHE A 48 56.778 1.580 -0.967 1.00 1.16 C ATOM 791 CD2 PHE A 48 54.435 2.175 -0.750 1.00 1.34 C ATOM 792 CE1 PHE A 48 56.622 0.616 0.031 1.00 1.16 C ATOM 793 CE2 PHE A 48 54.285 1.209 0.251 1.00 1.36 C ATOM 794 CZ PHE A 48 55.379 0.429 0.640 1.00 1.11 C ATOM 0 H PHE A 48 56.247 4.575 -4.902 1.00 1.61 H new ATOM 0 HA PHE A 48 57.647 2.575 -3.094 1.00 1.32 H new ATOM 0 HB2 PHE A 48 56.182 4.345 -2.010 1.00 1.14 H new ATOM 0 HB3 PHE A 48 54.828 3.635 -2.866 1.00 1.14 H new ATOM 0 HD1 PHE A 48 57.742 1.724 -1.433 1.00 1.16 H new ATOM 0 HD2 PHE A 48 53.589 2.777 -1.049 1.00 1.34 H new ATOM 0 HE1 PHE A 48 57.465 0.013 0.333 1.00 1.16 H new ATOM 0 HE2 PHE A 48 53.324 1.066 0.723 1.00 1.36 H new ATOM 0 HZ PHE A 48 55.263 -0.318 1.411 1.00 1.11 H new ATOM 804 N HIS A 49 56.490 0.665 -4.389 1.00 1.30 N ATOM 805 CA HIS A 49 55.903 -0.334 -5.341 1.00 1.34 C ATOM 806 C HIS A 49 55.087 -1.410 -4.620 1.00 1.24 C ATOM 807 O HIS A 49 55.436 -1.864 -3.548 1.00 1.19 O ATOM 808 CB HIS A 49 57.041 -0.992 -6.118 1.00 1.63 C ATOM 809 CG HIS A 49 57.784 0.054 -6.902 1.00 2.16 C ATOM 810 ND1 HIS A 49 57.202 0.736 -7.959 1.00 2.89 N ATOM 811 CD2 HIS A 49 59.063 0.542 -6.799 1.00 2.79 C ATOM 812 CE1 HIS A 49 58.121 1.590 -8.446 1.00 3.74 C ATOM 813 NE2 HIS A 49 59.275 1.512 -7.774 1.00 3.73 N ATOM 0 H HIS A 49 57.151 0.293 -3.706 1.00 1.30 H new ATOM 0 HA HIS A 49 55.224 0.192 -6.012 1.00 1.34 H new ATOM 0 HB2 HIS A 49 57.720 -1.497 -5.431 1.00 1.63 H new ATOM 0 HB3 HIS A 49 56.644 -1.752 -6.791 1.00 1.63 H new ATOM 0 HD2 HIS A 49 59.794 0.222 -6.071 1.00 2.79 H new ATOM 0 HE1 HIS A 49 57.948 2.257 -9.278 1.00 3.74 H new ATOM 0 HE2 HIS A 49 60.127 2.048 -7.940 1.00 3.73 H new ATOM 821 N ASN A 50 53.985 -1.813 -5.213 1.00 1.31 N ATOM 822 CA ASN A 50 53.126 -2.854 -4.579 1.00 1.32 C ATOM 823 C ASN A 50 52.996 -4.108 -5.445 1.00 1.63 C ATOM 824 O ASN A 50 52.695 -4.042 -6.625 1.00 1.75 O ATOM 825 CB ASN A 50 51.715 -2.329 -4.367 1.00 1.31 C ATOM 826 CG ASN A 50 50.927 -3.384 -3.589 1.00 1.48 C ATOM 827 OD1 ASN A 50 50.131 -4.105 -4.151 1.00 2.04 O ATOM 828 ND2 ASN A 50 51.132 -3.519 -2.313 1.00 1.55 N ATOM 0 H ASN A 50 53.648 -1.462 -6.109 1.00 1.31 H new ATOM 0 HA ASN A 50 53.610 -3.102 -3.635 1.00 1.32 H new ATOM 0 HB2 ASN A 50 51.738 -1.388 -3.817 1.00 1.31 H new ATOM 0 HB3 ASN A 50 51.236 -2.126 -5.325 1.00 1.31 H new ATOM 0 HD21 ASN A 50 50.624 -4.230 -1.787 1.00 1.55 H new ATOM 0 HD22 ASN A 50 51.801 -2.914 -1.837 1.00 1.55 H new ATOM 835 N ILE A 51 53.128 -5.249 -4.832 1.00 1.84 N ATOM 836 CA ILE A 51 52.922 -6.534 -5.554 1.00 2.23 C ATOM 837 C ILE A 51 51.649 -7.135 -4.968 1.00 2.31 C ATOM 838 O ILE A 51 51.428 -7.056 -3.776 1.00 2.11 O ATOM 839 CB ILE A 51 54.091 -7.491 -5.317 1.00 2.50 C ATOM 840 CG1 ILE A 51 55.396 -6.847 -5.778 1.00 2.66 C ATOM 841 CG2 ILE A 51 53.858 -8.781 -6.106 1.00 2.95 C ATOM 842 CD1 ILE A 51 56.560 -7.755 -5.400 1.00 2.95 C ATOM 0 H ILE A 51 53.373 -5.347 -3.847 1.00 1.84 H new ATOM 0 HA ILE A 51 52.851 -6.370 -6.629 1.00 2.23 H new ATOM 0 HB ILE A 51 54.159 -7.715 -4.252 1.00 2.50 H new ATOM 0 HG12 ILE A 51 55.377 -6.689 -6.856 1.00 2.66 H new ATOM 0 HG13 ILE A 51 55.517 -5.868 -5.314 1.00 2.66 H new ATOM 0 HG21 ILE A 51 54.690 -9.465 -5.939 1.00 2.95 H new ATOM 0 HG22 ILE A 51 52.931 -9.249 -5.773 1.00 2.95 H new ATOM 0 HG23 ILE A 51 53.786 -8.550 -7.169 1.00 2.95 H new ATOM 0 HD11 ILE A 51 57.496 -7.302 -5.726 1.00 2.95 H new ATOM 0 HD12 ILE A 51 56.580 -7.890 -4.319 1.00 2.95 H new ATOM 0 HD13 ILE A 51 56.438 -8.724 -5.885 1.00 2.95 H new ATOM 854 N ARG A 52 50.781 -7.689 -5.762 1.00 2.70 N ATOM 855 CA ARG A 52 49.528 -8.213 -5.161 1.00 2.89 C ATOM 856 C ARG A 52 49.880 -9.262 -4.107 1.00 2.74 C ATOM 857 O ARG A 52 50.558 -10.233 -4.373 1.00 2.95 O ATOM 858 CB ARG A 52 48.659 -8.849 -6.253 1.00 3.43 C ATOM 859 CG ARG A 52 47.301 -9.278 -5.679 1.00 3.60 C ATOM 860 CD ARG A 52 46.408 -8.052 -5.437 1.00 4.27 C ATOM 861 NE ARG A 52 45.119 -8.490 -4.831 1.00 4.76 N ATOM 862 CZ ARG A 52 44.129 -8.861 -5.597 1.00 5.02 C ATOM 863 NH1 ARG A 52 44.267 -8.849 -6.895 1.00 5.33 N ATOM 864 NH2 ARG A 52 42.999 -9.240 -5.066 1.00 5.19 N ATOM 0 H ARG A 52 50.878 -7.800 -6.771 1.00 2.70 H new ATOM 0 HA ARG A 52 48.975 -7.397 -4.696 1.00 2.89 H new ATOM 0 HB2 ARG A 52 48.509 -8.139 -7.066 1.00 3.43 H new ATOM 0 HB3 ARG A 52 49.171 -9.713 -6.676 1.00 3.43 H new ATOM 0 HG2 ARG A 52 46.808 -9.964 -6.368 1.00 3.60 H new ATOM 0 HG3 ARG A 52 47.449 -9.818 -4.744 1.00 3.60 H new ATOM 0 HD2 ARG A 52 46.912 -7.346 -4.777 1.00 4.27 H new ATOM 0 HD3 ARG A 52 46.223 -7.532 -6.377 1.00 4.27 H new ATOM 0 HE ARG A 52 45.010 -8.500 -3.817 1.00 4.76 H new ATOM 0 HH11 ARG A 52 45.149 -8.550 -7.311 1.00 5.33 H new ATOM 0 HH12 ARG A 52 43.493 -9.139 -7.493 1.00 5.33 H new ATOM 0 HH21 ARG A 52 42.889 -9.246 -4.052 1.00 5.19 H new ATOM 0 HH22 ARG A 52 42.226 -9.530 -5.665 1.00 5.19 H new ATOM 878 N GLY A 53 49.413 -9.058 -2.906 1.00 2.47 N ATOM 879 CA GLY A 53 49.695 -10.019 -1.807 1.00 2.39 C ATOM 880 C GLY A 53 50.942 -9.567 -1.042 1.00 2.26 C ATOM 881 O GLY A 53 51.150 -9.929 0.100 1.00 2.34 O ATOM 0 H GLY A 53 48.842 -8.257 -2.638 1.00 2.47 H new ATOM 0 HA2 GLY A 53 48.842 -10.076 -1.131 1.00 2.39 H new ATOM 0 HA3 GLY A 53 49.847 -11.019 -2.214 1.00 2.39 H new ATOM 885 N ARG A 54 51.783 -8.783 -1.671 1.00 2.12 N ATOM 886 CA ARG A 54 53.027 -8.315 -0.989 1.00 2.09 C ATOM 887 C ARG A 54 53.310 -6.838 -1.318 1.00 1.78 C ATOM 888 O ARG A 54 53.062 -6.379 -2.415 1.00 1.75 O ATOM 889 CB ARG A 54 54.197 -9.183 -1.456 1.00 2.42 C ATOM 890 CG ARG A 54 55.459 -8.825 -0.670 1.00 2.62 C ATOM 891 CD ARG A 54 56.628 -9.667 -1.186 1.00 2.74 C ATOM 892 NE ARG A 54 57.834 -9.416 -0.350 1.00 2.95 N ATOM 893 CZ ARG A 54 58.979 -9.942 -0.685 1.00 3.27 C ATOM 894 NH1 ARG A 54 59.067 -10.691 -1.750 1.00 3.50 N ATOM 895 NH2 ARG A 54 60.037 -9.721 0.045 1.00 3.68 N ATOM 0 H ARG A 54 51.661 -8.448 -2.627 1.00 2.12 H new ATOM 0 HA ARG A 54 52.899 -8.402 0.090 1.00 2.09 H new ATOM 0 HB2 ARG A 54 53.958 -10.237 -1.315 1.00 2.42 H new ATOM 0 HB3 ARG A 54 54.368 -9.034 -2.522 1.00 2.42 H new ATOM 0 HG2 ARG A 54 55.682 -7.764 -0.781 1.00 2.62 H new ATOM 0 HG3 ARG A 54 55.304 -9.009 0.393 1.00 2.62 H new ATOM 0 HD2 ARG A 54 56.367 -10.725 -1.157 1.00 2.74 H new ATOM 0 HD3 ARG A 54 56.837 -9.418 -2.227 1.00 2.74 H new ATOM 0 HE ARG A 54 57.765 -8.833 0.484 1.00 2.95 H new ATOM 0 HH11 ARG A 54 58.240 -10.865 -2.321 1.00 3.50 H new ATOM 0 HH12 ARG A 54 59.963 -11.102 -2.012 1.00 3.50 H new ATOM 0 HH21 ARG A 54 59.969 -9.137 0.878 1.00 3.68 H new ATOM 0 HH22 ARG A 54 60.933 -10.133 -0.217 1.00 3.68 H new ATOM 909 N TRP A 55 53.863 -6.103 -0.384 1.00 1.59 N ATOM 910 CA TRP A 55 54.204 -4.667 -0.647 1.00 1.34 C ATOM 911 C TRP A 55 55.734 -4.569 -0.737 1.00 1.37 C ATOM 912 O TRP A 55 56.433 -5.307 -0.070 1.00 1.44 O ATOM 913 CB TRP A 55 53.660 -3.780 0.486 1.00 1.16 C ATOM 914 CG TRP A 55 52.748 -2.757 -0.109 1.00 1.08 C ATOM 915 CD1 TRP A 55 51.397 -2.725 0.012 1.00 1.31 C ATOM 916 CD2 TRP A 55 53.109 -1.630 -0.944 1.00 0.87 C ATOM 917 NE1 TRP A 55 50.913 -1.649 -0.714 1.00 1.25 N ATOM 918 CE2 TRP A 55 51.934 -0.942 -1.318 1.00 0.96 C ATOM 919 CE3 TRP A 55 54.337 -1.145 -1.408 1.00 0.82 C ATOM 920 CZ2 TRP A 55 51.983 0.188 -2.133 1.00 0.88 C ATOM 921 CZ3 TRP A 55 54.386 -0.010 -2.220 1.00 0.84 C ATOM 922 CH2 TRP A 55 53.213 0.656 -2.587 1.00 0.80 C ATOM 0 H TRP A 55 54.094 -6.435 0.552 1.00 1.59 H new ATOM 0 HA TRP A 55 53.752 -4.321 -1.577 1.00 1.34 H new ATOM 0 HB2 TRP A 55 53.124 -4.386 1.217 1.00 1.16 H new ATOM 0 HB3 TRP A 55 54.481 -3.294 1.014 1.00 1.16 H new ATOM 0 HD1 TRP A 55 50.799 -3.422 0.580 1.00 1.31 H new ATOM 0 HE1 TRP A 55 49.925 -1.409 -0.793 1.00 1.25 H new ATOM 0 HE3 TRP A 55 55.252 -1.651 -1.137 1.00 0.82 H new ATOM 0 HZ2 TRP A 55 51.072 0.697 -2.411 1.00 0.88 H new ATOM 0 HZ3 TRP A 55 55.340 0.357 -2.568 1.00 0.84 H new ATOM 0 HH2 TRP A 55 53.261 1.530 -3.220 1.00 0.80 H new ATOM 933 N THR A 56 56.284 -3.725 -1.587 1.00 1.42 N ATOM 934 CA THR A 56 57.776 -3.709 -1.698 1.00 1.64 C ATOM 935 C THR A 56 58.348 -2.294 -1.828 1.00 1.58 C ATOM 936 O THR A 56 57.665 -1.339 -2.150 1.00 1.54 O ATOM 937 CB THR A 56 58.204 -4.539 -2.912 1.00 1.95 C ATOM 938 OG1 THR A 56 59.585 -4.855 -2.795 1.00 2.97 O ATOM 939 CG2 THR A 56 57.978 -3.742 -4.195 1.00 2.51 C ATOM 0 H THR A 56 55.782 -3.070 -2.187 1.00 1.42 H new ATOM 0 HA THR A 56 58.171 -4.135 -0.776 1.00 1.64 H new ATOM 0 HB THR A 56 57.613 -5.454 -2.950 1.00 1.95 H new ATOM 0 HG1 THR A 56 60.117 -4.170 -3.251 1.00 2.97 H new ATOM 0 HG21 THR A 56 58.285 -4.340 -5.053 1.00 2.51 H new ATOM 0 HG22 THR A 56 56.921 -3.492 -4.286 1.00 2.51 H new ATOM 0 HG23 THR A 56 58.566 -2.825 -4.162 1.00 2.51 H new ATOM 947 N GLY A 57 59.630 -2.187 -1.581 1.00 1.68 N ATOM 948 CA GLY A 57 60.342 -0.880 -1.674 1.00 1.73 C ATOM 949 C GLY A 57 60.566 -0.328 -0.273 1.00 1.86 C ATOM 950 O GLY A 57 61.535 0.355 -0.007 1.00 2.16 O ATOM 0 H GLY A 57 60.224 -2.971 -1.313 1.00 1.68 H new ATOM 0 HA2 GLY A 57 61.297 -1.009 -2.184 1.00 1.73 H new ATOM 0 HA3 GLY A 57 59.757 -0.176 -2.266 1.00 1.73 H new ATOM 954 N ARG A 58 59.691 -0.641 0.630 1.00 2.24 N ATOM 955 CA ARG A 58 59.851 -0.167 2.026 1.00 2.55 C ATOM 956 C ARG A 58 61.137 -0.638 2.658 1.00 1.60 C ATOM 957 O ARG A 58 61.794 0.102 3.364 1.00 1.78 O ATOM 958 CB ARG A 58 58.671 -0.650 2.837 1.00 3.48 C ATOM 959 CG ARG A 58 58.864 -0.199 4.260 1.00 3.78 C ATOM 960 CD ARG A 58 57.683 -0.672 5.074 1.00 4.78 C ATOM 961 NE ARG A 58 56.433 0.007 4.616 1.00 5.18 N ATOM 962 CZ ARG A 58 55.597 -0.610 3.820 1.00 4.98 C ATOM 963 NH1 ARG A 58 55.880 -1.797 3.356 1.00 4.52 N ATOM 964 NH2 ARG A 58 54.476 -0.032 3.484 1.00 5.42 N ATOM 0 H ARG A 58 58.862 -1.211 0.460 1.00 2.24 H new ATOM 0 HA ARG A 58 59.892 0.922 2.010 1.00 2.55 H new ATOM 0 HB2 ARG A 58 57.742 -0.248 2.433 1.00 3.48 H new ATOM 0 HB3 ARG A 58 58.596 -1.736 2.789 1.00 3.48 H new ATOM 0 HG2 ARG A 58 59.791 -0.606 4.664 1.00 3.78 H new ATOM 0 HG3 ARG A 58 58.946 0.887 4.306 1.00 3.78 H new ATOM 0 HD2 ARG A 58 57.575 -1.752 4.977 1.00 4.78 H new ATOM 0 HD3 ARG A 58 57.853 -0.462 6.130 1.00 4.78 H new ATOM 0 HE ARG A 58 56.230 0.957 4.926 1.00 5.18 H new ATOM 0 HH11 ARG A 58 56.757 -2.249 3.613 1.00 4.52 H new ATOM 0 HH12 ARG A 58 55.224 -2.272 2.736 1.00 4.52 H new ATOM 0 HH21 ARG A 58 54.254 0.897 3.841 1.00 5.42 H new ATOM 0 HH22 ARG A 58 53.822 -0.509 2.864 1.00 5.42 H new ATOM 978 N CYS A 59 61.512 -1.840 2.439 1.00 1.23 N ATOM 979 CA CYS A 59 62.752 -2.307 3.058 1.00 1.33 C ATOM 980 C CYS A 59 63.905 -1.474 2.509 1.00 1.72 C ATOM 981 O CYS A 59 64.905 -1.266 3.160 1.00 2.10 O ATOM 982 CB CYS A 59 62.961 -3.761 2.744 1.00 1.78 C ATOM 983 SG CYS A 59 64.044 -4.444 4.001 1.00 1.81 S ATOM 0 H CYS A 59 61.018 -2.520 1.861 1.00 1.23 H new ATOM 0 HA CYS A 59 62.700 -2.195 4.141 1.00 1.33 H new ATOM 0 HB2 CYS A 59 62.008 -4.290 2.732 1.00 1.78 H new ATOM 0 HB3 CYS A 59 63.403 -3.878 1.754 1.00 1.78 H new ATOM 988 N MET A 60 63.777 -0.981 1.310 1.00 2.25 N ATOM 989 CA MET A 60 64.881 -0.163 0.758 1.00 2.82 C ATOM 990 C MET A 60 65.178 0.925 1.780 1.00 2.49 C ATOM 991 O MET A 60 66.315 1.279 2.016 1.00 2.60 O ATOM 992 CB MET A 60 64.450 0.471 -0.566 1.00 3.75 C ATOM 993 CG MET A 60 65.648 1.168 -1.211 1.00 4.44 C ATOM 994 SD MET A 60 65.101 2.089 -2.669 1.00 5.37 S ATOM 995 CE MET A 60 64.551 0.667 -3.643 1.00 5.65 C ATOM 0 H MET A 60 62.969 -1.108 0.700 1.00 2.25 H new ATOM 0 HA MET A 60 65.763 -0.775 0.568 1.00 2.82 H new ATOM 0 HB2 MET A 60 64.056 -0.293 -1.236 1.00 3.75 H new ATOM 0 HB3 MET A 60 63.648 1.188 -0.394 1.00 3.75 H new ATOM 0 HG2 MET A 60 66.117 1.844 -0.496 1.00 4.44 H new ATOM 0 HG3 MET A 60 66.401 0.432 -1.494 1.00 4.44 H new ATOM 0 HE1 MET A 60 64.788 0.832 -4.694 1.00 5.65 H new ATOM 0 HE2 MET A 60 65.059 -0.232 -3.294 1.00 5.65 H new ATOM 0 HE3 MET A 60 63.474 0.542 -3.529 1.00 5.65 H new ATOM 1005 N SER A 61 64.160 1.423 2.430 1.00 2.50 N ATOM 1006 CA SER A 61 64.389 2.443 3.481 1.00 2.68 C ATOM 1007 C SER A 61 65.303 1.824 4.538 1.00 2.33 C ATOM 1008 O SER A 61 66.153 2.480 5.107 1.00 2.60 O ATOM 1009 CB SER A 61 63.056 2.840 4.116 1.00 3.41 C ATOM 1010 OG SER A 61 62.158 3.267 3.099 1.00 3.76 O ATOM 0 H SER A 61 63.185 1.166 2.276 1.00 2.50 H new ATOM 0 HA SER A 61 64.848 3.335 3.055 1.00 2.68 H new ATOM 0 HB2 SER A 61 62.633 1.995 4.659 1.00 3.41 H new ATOM 0 HB3 SER A 61 63.209 3.640 4.841 1.00 3.41 H new ATOM 0 HG SER A 61 61.302 3.520 3.504 1.00 3.76 H new ATOM 1016 N CYS A 62 65.139 0.547 4.789 1.00 1.97 N ATOM 1017 CA CYS A 62 66.004 -0.135 5.791 1.00 2.16 C ATOM 1018 C CYS A 62 67.462 -0.044 5.344 1.00 2.28 C ATOM 1019 O CYS A 62 68.370 -0.053 6.152 1.00 2.98 O ATOM 1020 CB CYS A 62 65.615 -1.611 5.921 1.00 1.91 C ATOM 1021 SG CYS A 62 63.979 -1.780 6.643 1.00 1.75 S ATOM 0 H CYS A 62 64.442 -0.049 4.341 1.00 1.97 H new ATOM 0 HA CYS A 62 65.873 0.354 6.756 1.00 2.16 H new ATOM 0 HB2 CYS A 62 65.635 -2.084 4.939 1.00 1.91 H new ATOM 0 HB3 CYS A 62 66.346 -2.131 6.540 1.00 1.91 H new ATOM 1026 N SER A 63 67.695 0.037 4.063 1.00 2.07 N ATOM 1027 CA SER A 63 69.098 0.120 3.571 1.00 2.80 C ATOM 1028 C SER A 63 69.303 1.446 2.841 1.00 3.07 C ATOM 1029 O SER A 63 68.401 1.970 2.218 1.00 3.22 O ATOM 1030 CB SER A 63 69.367 -1.036 2.609 1.00 3.10 C ATOM 1031 OG SER A 63 69.138 -2.268 3.282 1.00 3.89 O ATOM 0 H SER A 63 66.977 0.049 3.338 1.00 2.07 H new ATOM 0 HA SER A 63 69.785 0.059 4.415 1.00 2.80 H new ATOM 0 HB2 SER A 63 68.717 -0.958 1.737 1.00 3.10 H new ATOM 0 HB3 SER A 63 70.394 -0.991 2.246 1.00 3.10 H new ATOM 0 HG SER A 63 69.308 -3.013 2.668 1.00 3.89 H new ATOM 1037 N ARG A 64 70.481 1.997 2.918 1.00 3.46 N ATOM 1038 CA ARG A 64 70.738 3.294 2.236 1.00 3.80 C ATOM 1039 C ARG A 64 71.989 3.167 1.362 1.00 4.68 C ATOM 1040 O ARG A 64 72.945 2.512 1.725 1.00 5.24 O ATOM 1041 CB ARG A 64 70.943 4.381 3.293 1.00 4.15 C ATOM 1042 CG ARG A 64 71.030 5.750 2.620 1.00 4.44 C ATOM 1043 CD ARG A 64 71.325 6.812 3.679 1.00 5.37 C ATOM 1044 NE ARG A 64 70.227 6.817 4.687 1.00 5.96 N ATOM 1045 CZ ARG A 64 69.846 7.937 5.241 1.00 6.61 C ATOM 1046 NH1 ARG A 64 70.433 9.059 4.926 1.00 7.07 N ATOM 1047 NH2 ARG A 64 68.878 7.932 6.117 1.00 7.02 N ATOM 0 H ARG A 64 71.276 1.606 3.423 1.00 3.46 H new ATOM 0 HA ARG A 64 69.890 3.560 1.605 1.00 3.80 H new ATOM 0 HB2 ARG A 64 70.118 4.368 4.005 1.00 4.15 H new ATOM 0 HB3 ARG A 64 71.855 4.185 3.857 1.00 4.15 H new ATOM 0 HG2 ARG A 64 71.814 5.747 1.862 1.00 4.44 H new ATOM 0 HG3 ARG A 64 70.094 5.978 2.110 1.00 4.44 H new ATOM 0 HD2 ARG A 64 72.279 6.604 4.164 1.00 5.37 H new ATOM 0 HD3 ARG A 64 71.411 7.793 3.213 1.00 5.37 H new ATOM 0 HE ARG A 64 69.771 5.942 4.945 1.00 5.96 H new ATOM 0 HH11 ARG A 64 71.192 9.064 4.245 1.00 7.07 H new ATOM 0 HH12 ARG A 64 70.133 9.931 5.361 1.00 7.07 H new ATOM 0 HH21 ARG A 64 68.421 7.055 6.367 1.00 7.02 H new ATOM 0 HH22 ARG A 64 68.579 8.805 6.551 1.00 7.02 H new ATOM 1061 N SER A 65 71.987 3.782 0.211 1.00 5.10 N ATOM 1062 CA SER A 65 73.176 3.689 -0.685 1.00 6.19 C ATOM 1063 C SER A 65 74.400 4.272 0.025 1.00 6.98 C ATOM 1064 O SER A 65 75.523 3.893 -0.242 1.00 7.46 O ATOM 1065 CB SER A 65 72.907 4.474 -1.969 1.00 6.52 C ATOM 1066 OG SER A 65 72.845 5.862 -1.667 1.00 6.54 O ATOM 0 H SER A 65 71.215 4.344 -0.148 1.00 5.10 H new ATOM 0 HA SER A 65 73.365 2.644 -0.930 1.00 6.19 H new ATOM 0 HB2 SER A 65 73.695 4.283 -2.697 1.00 6.52 H new ATOM 0 HB3 SER A 65 71.970 4.146 -2.420 1.00 6.52 H new ATOM 0 HG SER A 65 72.674 6.368 -2.489 1.00 6.54 H new ATOM 1072 N SER A 66 74.192 5.187 0.930 1.00 7.38 N ATOM 1073 CA SER A 66 75.342 5.791 1.660 1.00 8.33 C ATOM 1074 C SER A 66 75.192 5.508 3.156 1.00 8.51 C ATOM 1075 O SER A 66 74.100 5.313 3.653 1.00 8.41 O ATOM 1076 CB SER A 66 75.358 7.302 1.426 1.00 9.16 C ATOM 1077 OG SER A 66 74.194 7.878 2.005 1.00 9.14 O ATOM 0 H SER A 66 73.274 5.543 1.196 1.00 7.38 H new ATOM 0 HA SER A 66 76.275 5.359 1.297 1.00 8.33 H new ATOM 0 HB2 SER A 66 76.253 7.741 1.867 1.00 9.16 H new ATOM 0 HB3 SER A 66 75.391 7.516 0.358 1.00 9.16 H new ATOM 0 HG SER A 66 74.201 8.847 1.859 1.00 9.14 H new ATOM 1083 N ARG A 67 76.279 5.476 3.877 1.00 8.97 N ATOM 1084 CA ARG A 67 76.195 5.198 5.339 1.00 9.40 C ATOM 1085 C ARG A 67 76.016 6.512 6.102 1.00 9.49 C ATOM 1086 O ARG A 67 77.014 7.064 6.534 1.00 9.32 O ATOM 1087 CB ARG A 67 77.483 4.511 5.798 1.00 10.30 C ATOM 1088 CG ARG A 67 77.608 3.149 5.112 1.00 10.91 C ATOM 1089 CD ARG A 67 78.826 2.406 5.665 1.00 11.80 C ATOM 1090 NE ARG A 67 80.043 3.248 5.490 1.00 12.45 N ATOM 1091 CZ ARG A 67 80.621 3.330 4.322 1.00 13.47 C ATOM 1092 NH1 ARG A 67 80.134 2.675 3.303 1.00 14.08 N ATOM 1093 NH2 ARG A 67 81.687 4.066 4.173 1.00 13.96 N ATOM 0 H ARG A 67 77.221 5.630 3.517 1.00 8.97 H new ATOM 0 HA ARG A 67 75.343 4.548 5.538 1.00 9.40 H new ATOM 0 HB2 ARG A 67 78.345 5.132 5.556 1.00 10.30 H new ATOM 0 HB3 ARG A 67 77.475 4.385 6.881 1.00 10.30 H new ATOM 0 HG2 ARG A 67 76.705 2.562 5.279 1.00 10.91 H new ATOM 0 HG3 ARG A 67 77.708 3.281 4.035 1.00 10.91 H new ATOM 0 HD2 ARG A 67 78.678 2.177 6.720 1.00 11.80 H new ATOM 0 HD3 ARG A 67 78.951 1.455 5.147 1.00 11.80 H new ATOM 0 HE ARG A 67 80.425 3.761 6.284 1.00 12.45 H new ATOM 0 HH11 ARG A 67 79.301 2.098 3.419 1.00 14.08 H new ATOM 0 HH12 ARG A 67 80.587 2.740 2.391 1.00 14.08 H new ATOM 0 HH21 ARG A 67 82.069 4.577 4.969 1.00 13.96 H new ATOM 0 HH22 ARG A 67 82.139 4.130 3.261 1.00 13.96 H new TER 1107 ARG A 67 HETATM 1108 ZN ZN A 101 63.192 -3.851 6.053 1.00 1.03 ZN