USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 749 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 25 LYS NZ :NH3+ -131:sc= -0.143 (180deg=-0.634) USER MOD Set 1.2: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 67 SER OG : rot -45:sc= 0.707 USER MOD Set 1.4: A 71 ASN : amide:sc= -1.07 K(o=-0.5,f=-2.5!) USER MOD Set 2.1: A 62 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 VAL N :NH3+ 172:sc= 0 (180deg=-0.0675) USER MOD Single : A 3 SER OG : rot 57:sc= 0.048 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.0079 USER MOD Single : A 15 THR OG1 : rot 180:sc= -1! USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.662 F(o=-1.6!,f=-0.66) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -82:sc= 0.0074 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -150:sc= 0.216 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -80:sc= 0.538 USER MOD Single : A 42 LYS NZ :NH3+ -129:sc= -1.67 (180deg=-8.12!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0.0619 X(o=0.062,f=-0.11) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -118:sc= -6.12! (180deg=-7!) USER MOD Single : A 68 ASN : amide:sc= -1.18 K(o=-1.2,f=-3.1!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl -113:sc= -2.41! (180deg=-4.51!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.375! USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.304 USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 83 GLN : amide:sc= -0.181 K(o=-0.18,f=-0.99) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.449! USER MOD Single : A 86 ASN : amide:sc= -0.201 K(o=-0.2,f=-2.4!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 0.781 14.670 -25.624 1.00 0.00 N ATOM 2 CA VAL A 1 -0.554 14.111 -25.495 1.00 0.00 C ATOM 3 C VAL A 1 -0.449 12.638 -25.093 1.00 0.00 C ATOM 4 O VAL A 1 0.167 11.841 -25.799 1.00 0.00 O ATOM 5 CB VAL A 1 -1.338 14.323 -26.791 1.00 0.00 C ATOM 6 CG1 VAL A 1 -0.778 13.454 -27.919 1.00 0.00 C ATOM 7 CG2 VAL A 1 -2.829 14.053 -26.580 1.00 0.00 C ATOM 0 H1 VAL A 1 0.719 15.627 -26.026 1.00 0.00 H new ATOM 0 H2 VAL A 1 1.230 14.717 -24.687 1.00 0.00 H new ATOM 0 H3 VAL A 1 1.351 14.067 -26.251 1.00 0.00 H new ATOM 0 HA VAL A 1 -1.108 14.624 -24.709 1.00 0.00 H new ATOM 0 HB VAL A 1 -1.225 15.367 -27.084 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -1.353 13.624 -28.829 1.00 0.00 H new ATOM 0 HG12 VAL A 1 0.266 13.715 -28.095 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -0.847 12.403 -27.637 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -3.363 14.211 -27.517 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -2.969 13.023 -26.251 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -3.218 14.732 -25.821 1.00 0.00 H new ATOM 17 N GLY A 2 -1.060 12.321 -23.961 1.00 0.00 N ATOM 18 CA GLY A 2 -1.043 10.959 -23.457 1.00 0.00 C ATOM 19 C GLY A 2 -1.104 10.938 -21.928 1.00 0.00 C ATOM 20 O GLY A 2 -0.692 11.896 -21.275 1.00 0.00 O ATOM 0 H GLY A 2 -1.570 12.985 -23.378 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.889 10.406 -23.866 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -0.138 10.454 -23.795 1.00 0.00 H new ATOM 24 N SER A 3 -1.621 9.837 -21.404 1.00 0.00 N ATOM 25 CA SER A 3 -1.741 9.679 -19.965 1.00 0.00 C ATOM 26 C SER A 3 -2.197 8.258 -19.630 1.00 0.00 C ATOM 27 O SER A 3 -2.431 7.450 -20.527 1.00 0.00 O ATOM 28 CB SER A 3 -2.716 10.702 -19.378 1.00 0.00 C ATOM 29 OG SER A 3 -2.051 11.672 -18.572 1.00 0.00 O ATOM 0 H SER A 3 -1.962 9.046 -21.950 1.00 0.00 H new ATOM 0 HA SER A 3 -0.762 9.853 -19.519 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.245 11.205 -20.188 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.466 10.186 -18.779 1.00 0.00 H new ATOM 0 HG SER A 3 -1.362 12.122 -19.104 1.00 0.00 H new ATOM 35 N GLU A 4 -2.313 7.996 -18.336 1.00 0.00 N ATOM 36 CA GLU A 4 -2.739 6.687 -17.872 1.00 0.00 C ATOM 37 C GLU A 4 -4.265 6.594 -17.872 1.00 0.00 C ATOM 38 O GLU A 4 -4.952 7.599 -17.697 1.00 0.00 O ATOM 39 CB GLU A 4 -2.171 6.386 -16.483 1.00 0.00 C ATOM 40 CG GLU A 4 -0.773 5.772 -16.584 1.00 0.00 C ATOM 41 CD GLU A 4 0.050 6.073 -15.330 1.00 0.00 C ATOM 42 OE1 GLU A 4 0.340 7.271 -15.116 1.00 0.00 O ATOM 43 OE2 GLU A 4 0.372 5.101 -14.614 1.00 0.00 O ATOM 0 H GLU A 4 -2.119 8.669 -17.594 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.349 5.936 -18.559 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.127 7.304 -15.897 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.835 5.702 -15.955 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.855 4.694 -16.720 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.262 6.166 -17.462 1.00 0.00 H new ATOM 50 N VAL A 5 -4.753 5.378 -18.070 1.00 0.00 N ATOM 51 CA VAL A 5 -6.186 5.140 -18.095 1.00 0.00 C ATOM 52 C VAL A 5 -6.479 3.755 -17.515 1.00 0.00 C ATOM 53 O VAL A 5 -5.702 2.820 -17.707 1.00 0.00 O ATOM 54 CB VAL A 5 -6.721 5.319 -19.517 1.00 0.00 C ATOM 55 CG1 VAL A 5 -8.228 5.060 -19.571 1.00 0.00 C ATOM 56 CG2 VAL A 5 -6.383 6.709 -20.059 1.00 0.00 C ATOM 0 H VAL A 5 -4.180 4.546 -18.215 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.705 5.869 -17.473 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.231 4.583 -20.155 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.584 5.194 -20.593 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.434 4.040 -19.246 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.742 5.761 -18.913 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.775 6.810 -21.071 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.832 7.468 -19.419 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.301 6.841 -20.074 1.00 0.00 H new ATOM 66 N SER A 6 -7.602 3.666 -16.818 1.00 0.00 N ATOM 67 CA SER A 6 -8.006 2.410 -16.209 1.00 0.00 C ATOM 68 C SER A 6 -7.327 2.245 -14.848 1.00 0.00 C ATOM 69 O SER A 6 -7.711 1.383 -14.059 1.00 0.00 O ATOM 70 CB SER A 6 -7.673 1.225 -17.116 1.00 0.00 C ATOM 71 OG SER A 6 -8.746 0.292 -17.193 1.00 0.00 O ATOM 0 H SER A 6 -8.245 4.443 -16.661 1.00 0.00 H new ATOM 0 HA SER A 6 -9.087 2.431 -16.068 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.437 1.589 -18.116 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.782 0.722 -16.742 1.00 0.00 H new ATOM 0 HG SER A 6 -8.494 -0.449 -17.783 1.00 0.00 H new ATOM 77 N ASP A 7 -6.329 3.085 -14.614 1.00 0.00 N ATOM 78 CA ASP A 7 -5.593 3.043 -13.362 1.00 0.00 C ATOM 79 C ASP A 7 -5.722 4.394 -12.655 1.00 0.00 C ATOM 80 O ASP A 7 -5.925 4.446 -11.443 1.00 0.00 O ATOM 81 CB ASP A 7 -4.107 2.777 -13.607 1.00 0.00 C ATOM 82 CG ASP A 7 -3.796 1.475 -14.348 1.00 0.00 C ATOM 83 OD1 ASP A 7 -4.291 0.425 -13.883 1.00 0.00 O ATOM 84 OD2 ASP A 7 -3.071 1.559 -15.362 1.00 0.00 O ATOM 0 H ASP A 7 -6.013 3.799 -15.271 1.00 0.00 H new ATOM 0 HA ASP A 7 -6.007 2.240 -12.753 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.694 3.609 -14.177 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.593 2.762 -12.646 1.00 0.00 H new ATOM 89 N LYS A 8 -5.597 5.453 -13.442 1.00 0.00 N ATOM 90 CA LYS A 8 -5.696 6.799 -12.905 1.00 0.00 C ATOM 91 C LYS A 8 -4.998 6.855 -11.545 1.00 0.00 C ATOM 92 O LYS A 8 -4.102 6.058 -11.270 1.00 0.00 O ATOM 93 CB LYS A 8 -7.157 7.254 -12.865 1.00 0.00 C ATOM 94 CG LYS A 8 -7.916 6.558 -11.733 1.00 0.00 C ATOM 95 CD LYS A 8 -8.880 7.527 -11.043 1.00 0.00 C ATOM 96 CE LYS A 8 -10.251 7.512 -11.722 1.00 0.00 C ATOM 97 NZ LYS A 8 -10.487 8.783 -12.443 1.00 0.00 N ATOM 0 H LYS A 8 -5.428 5.406 -14.447 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.183 7.507 -13.556 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.202 8.334 -12.728 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.637 7.034 -13.819 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.471 5.709 -12.131 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.208 6.163 -11.004 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.987 7.254 -9.993 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.468 8.536 -11.069 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.309 6.676 -12.419 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.031 7.360 -10.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.422 8.756 -12.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.452 9.575 -11.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.753 8.912 -13.168 1.00 0.00 H new ATOM 111 N ARG A 9 -5.434 7.804 -10.729 1.00 0.00 N ATOM 112 CA ARG A 9 -4.862 7.974 -9.405 1.00 0.00 C ATOM 113 C ARG A 9 -5.044 6.697 -8.580 1.00 0.00 C ATOM 114 O ARG A 9 -4.074 6.145 -8.063 1.00 0.00 O ATOM 115 CB ARG A 9 -5.514 9.146 -8.669 1.00 0.00 C ATOM 116 CG ARG A 9 -4.548 9.765 -7.658 1.00 0.00 C ATOM 117 CD ARG A 9 -5.011 9.500 -6.224 1.00 0.00 C ATOM 118 NE ARG A 9 -4.188 10.283 -5.274 1.00 0.00 N ATOM 119 CZ ARG A 9 -2.971 9.913 -4.851 1.00 0.00 C ATOM 120 NH1 ARG A 9 -2.428 8.769 -5.292 1.00 0.00 N ATOM 121 NH2 ARG A 9 -2.298 10.685 -3.989 1.00 0.00 N ATOM 0 H ARG A 9 -6.177 8.463 -10.960 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.799 8.183 -9.527 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.827 9.903 -9.388 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.412 8.803 -8.156 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.550 9.352 -7.804 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.477 10.839 -7.828 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.062 9.770 -6.116 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.930 8.437 -5.998 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.571 11.159 -4.919 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.941 8.181 -5.949 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.502 8.487 -4.971 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.711 11.555 -3.654 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.372 10.403 -3.667 1.00 0.00 H new ATOM 135 N THR A 10 -6.293 6.267 -8.484 1.00 0.00 N ATOM 136 CA THR A 10 -6.614 5.066 -7.731 1.00 0.00 C ATOM 137 C THR A 10 -7.067 3.951 -8.674 1.00 0.00 C ATOM 138 O THR A 10 -6.309 3.022 -8.951 1.00 0.00 O ATOM 139 CB THR A 10 -7.662 5.435 -6.678 1.00 0.00 C ATOM 140 OG1 THR A 10 -7.165 6.639 -6.100 1.00 0.00 O ATOM 141 CG2 THR A 10 -7.693 4.446 -5.511 1.00 0.00 C ATOM 0 H THR A 10 -7.095 6.728 -8.915 1.00 0.00 H new ATOM 0 HA THR A 10 -5.737 4.676 -7.215 1.00 0.00 H new ATOM 0 HB THR A 10 -8.646 5.476 -7.145 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.785 6.950 -5.407 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.453 4.754 -4.793 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.929 3.450 -5.885 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.719 4.429 -5.023 1.00 0.00 H new ATOM 149 N CYS A 11 -8.300 4.078 -9.141 1.00 0.00 N ATOM 150 CA CYS A 11 -8.863 3.092 -10.048 1.00 0.00 C ATOM 151 C CYS A 11 -10.293 3.515 -10.391 1.00 0.00 C ATOM 152 O CYS A 11 -10.663 4.674 -10.203 1.00 0.00 O ATOM 153 CB CYS A 11 -8.813 1.683 -9.453 1.00 0.00 C ATOM 154 SG CYS A 11 -10.291 1.205 -8.485 1.00 0.00 S ATOM 0 H CYS A 11 -8.926 4.849 -8.908 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.268 3.052 -10.960 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.679 0.966 -10.263 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.935 1.606 -8.811 1.00 0.00 H new ATOM 159 N VAL A 12 -11.057 2.555 -10.890 1.00 0.00 N ATOM 160 CA VAL A 12 -12.437 2.814 -11.262 1.00 0.00 C ATOM 161 C VAL A 12 -13.363 2.301 -10.157 1.00 0.00 C ATOM 162 O VAL A 12 -13.796 3.070 -9.298 1.00 0.00 O ATOM 163 CB VAL A 12 -12.736 2.194 -12.628 1.00 0.00 C ATOM 164 CG1 VAL A 12 -14.231 2.264 -12.946 1.00 0.00 C ATOM 165 CG2 VAL A 12 -11.909 2.863 -13.727 1.00 0.00 C ATOM 0 H VAL A 12 -10.746 1.596 -11.045 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.611 3.885 -11.361 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.451 1.143 -12.589 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.417 1.817 -13.922 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.791 1.720 -12.185 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.552 3.306 -12.957 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.141 2.403 -14.688 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.148 3.926 -13.766 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.848 2.737 -13.511 1.00 0.00 H new ATOM 175 N SER A 13 -13.640 1.006 -10.214 1.00 0.00 N ATOM 176 CA SER A 13 -14.507 0.383 -9.229 1.00 0.00 C ATOM 177 C SER A 13 -13.687 -0.526 -8.310 1.00 0.00 C ATOM 178 O SER A 13 -12.461 -0.434 -8.274 1.00 0.00 O ATOM 179 CB SER A 13 -15.624 -0.414 -9.904 1.00 0.00 C ATOM 180 OG SER A 13 -15.170 -1.682 -10.369 1.00 0.00 O ATOM 0 H SER A 13 -13.279 0.372 -10.927 1.00 0.00 H new ATOM 0 HA SER A 13 -14.969 1.170 -8.633 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.443 -0.558 -9.199 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.022 0.158 -10.742 1.00 0.00 H new ATOM 0 HG SER A 13 -15.913 -2.161 -10.792 1.00 0.00 H new ATOM 186 N LEU A 14 -14.397 -1.383 -7.591 1.00 0.00 N ATOM 187 CA LEU A 14 -13.750 -2.307 -6.675 1.00 0.00 C ATOM 188 C LEU A 14 -13.963 -3.739 -7.170 1.00 0.00 C ATOM 189 O LEU A 14 -15.064 -4.277 -7.070 1.00 0.00 O ATOM 190 CB LEU A 14 -14.236 -2.071 -5.244 1.00 0.00 C ATOM 191 CG LEU A 14 -15.716 -2.358 -4.983 1.00 0.00 C ATOM 192 CD1 LEU A 14 -15.945 -3.845 -4.705 1.00 0.00 C ATOM 193 CD2 LEU A 14 -16.255 -1.475 -3.856 1.00 0.00 C ATOM 0 H LEU A 14 -15.414 -1.457 -7.624 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.674 -2.133 -6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.642 -2.691 -4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.035 -1.033 -4.980 1.00 0.00 H new ATOM 0 HG LEU A 14 -16.277 -2.108 -5.884 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -17.005 -4.022 -4.523 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.622 -4.430 -5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.371 -4.144 -3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -17.309 -1.699 -3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.695 -1.670 -2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.146 -0.426 -4.132 1.00 0.00 H new ATOM 205 N THR A 15 -12.890 -4.316 -7.692 1.00 0.00 N ATOM 206 CA THR A 15 -12.946 -5.676 -8.202 1.00 0.00 C ATOM 207 C THR A 15 -13.476 -5.686 -9.636 1.00 0.00 C ATOM 208 O THR A 15 -13.080 -4.859 -10.455 1.00 0.00 O ATOM 209 CB THR A 15 -13.789 -6.509 -7.236 1.00 0.00 C ATOM 210 OG1 THR A 15 -13.470 -5.980 -5.951 1.00 0.00 O ATOM 211 CG2 THR A 15 -13.329 -7.966 -7.164 1.00 0.00 C ATOM 0 H THR A 15 -11.978 -3.867 -7.773 1.00 0.00 H new ATOM 0 HA THR A 15 -11.952 -6.120 -8.254 1.00 0.00 H new ATOM 0 HB THR A 15 -14.834 -6.473 -7.543 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.975 -6.463 -5.264 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.961 -8.513 -6.464 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.404 -8.420 -8.152 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.294 -8.004 -6.824 1.00 0.00 H new ATOM 219 N THR A 16 -14.368 -6.632 -9.897 1.00 0.00 N ATOM 220 CA THR A 16 -14.957 -6.762 -11.219 1.00 0.00 C ATOM 221 C THR A 16 -14.037 -7.568 -12.137 1.00 0.00 C ATOM 222 O THR A 16 -14.423 -7.929 -13.248 1.00 0.00 O ATOM 223 CB THR A 16 -15.257 -5.355 -11.742 1.00 0.00 C ATOM 224 OG1 THR A 16 -16.536 -5.480 -12.358 1.00 0.00 O ATOM 225 CG2 THR A 16 -14.330 -4.947 -12.889 1.00 0.00 C ATOM 0 H THR A 16 -14.697 -7.315 -9.215 1.00 0.00 H new ATOM 0 HA THR A 16 -15.894 -7.318 -11.182 1.00 0.00 H new ATOM 0 HB THR A 16 -15.164 -4.637 -10.927 1.00 0.00 H new ATOM 0 HG1 THR A 16 -16.809 -4.613 -12.723 1.00 0.00 H new ATOM 0 HG21 THR A 16 -14.585 -3.941 -13.223 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.296 -4.964 -12.545 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.448 -5.645 -13.718 1.00 0.00 H new ATOM 233 N GLN A 17 -12.837 -7.827 -11.640 1.00 0.00 N ATOM 234 CA GLN A 17 -11.858 -8.584 -12.401 1.00 0.00 C ATOM 235 C GLN A 17 -10.899 -9.314 -11.458 1.00 0.00 C ATOM 236 O GLN A 17 -9.969 -8.712 -10.925 1.00 0.00 O ATOM 237 CB GLN A 17 -11.092 -7.676 -13.367 1.00 0.00 C ATOM 238 CG GLN A 17 -10.180 -6.712 -12.605 1.00 0.00 C ATOM 239 CD GLN A 17 -10.067 -5.372 -13.335 1.00 0.00 C ATOM 240 OE1 GLN A 17 -10.722 -4.377 -12.744 1.00 0.00 O flip ATOM 241 NE2 GLN A 17 -9.429 -5.251 -14.367 1.00 0.00 N flip ATOM 0 H GLN A 17 -12.520 -7.526 -10.719 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.387 -9.328 -12.996 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.497 -8.284 -14.049 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -11.797 -7.111 -13.977 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.573 -6.551 -11.601 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.190 -7.154 -12.493 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.949 -6.057 -14.767 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.375 -4.344 -14.830 1.00 0.00 H new ATOM 250 N ARG A 18 -11.160 -10.601 -11.280 1.00 0.00 N ATOM 251 CA ARG A 18 -10.333 -11.419 -10.411 1.00 0.00 C ATOM 252 C ARG A 18 -9.077 -11.879 -11.152 1.00 0.00 C ATOM 253 O ARG A 18 -9.166 -12.603 -12.142 1.00 0.00 O ATOM 254 CB ARG A 18 -11.101 -12.645 -9.913 1.00 0.00 C ATOM 255 CG ARG A 18 -10.792 -12.925 -8.440 1.00 0.00 C ATOM 256 CD ARG A 18 -10.472 -14.405 -8.220 1.00 0.00 C ATOM 257 NE ARG A 18 -11.716 -15.156 -7.939 1.00 0.00 N ATOM 258 CZ ARG A 18 -11.839 -16.483 -8.075 1.00 0.00 C ATOM 259 NH1 ARG A 18 -10.794 -17.213 -8.488 1.00 0.00 N ATOM 260 NH2 ARG A 18 -13.006 -17.080 -7.798 1.00 0.00 N ATOM 0 H ARG A 18 -11.933 -11.097 -11.723 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.050 -10.809 -9.553 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.172 -12.484 -10.039 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.836 -13.514 -10.515 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.948 -12.315 -8.119 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.645 -12.638 -7.825 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.982 -14.815 -9.103 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.775 -14.515 -7.389 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.531 -14.630 -7.622 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.906 -16.758 -8.699 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.887 -18.223 -8.592 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.801 -16.524 -7.483 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.099 -18.090 -7.902 1.00 0.00 H new ATOM 274 N LEU A 19 -7.934 -11.439 -10.644 1.00 0.00 N ATOM 275 CA LEU A 19 -6.660 -11.796 -11.246 1.00 0.00 C ATOM 276 C LEU A 19 -5.850 -12.634 -10.255 1.00 0.00 C ATOM 277 O LEU A 19 -6.112 -12.606 -9.054 1.00 0.00 O ATOM 278 CB LEU A 19 -5.930 -10.546 -11.737 1.00 0.00 C ATOM 279 CG LEU A 19 -5.907 -9.360 -10.770 1.00 0.00 C ATOM 280 CD1 LEU A 19 -4.721 -8.439 -11.060 1.00 0.00 C ATOM 281 CD2 LEU A 19 -7.237 -8.606 -10.795 1.00 0.00 C ATOM 0 H LEU A 19 -7.864 -10.839 -9.822 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.816 -12.412 -12.131 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.901 -10.819 -11.971 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.393 -10.221 -12.669 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.775 -9.746 -9.759 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.728 -7.605 -10.359 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.791 -8.997 -10.950 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.797 -8.058 -12.078 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.193 -7.768 -10.099 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.424 -8.232 -11.802 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.043 -9.279 -10.502 1.00 0.00 H new ATOM 293 N PRO A 20 -4.856 -13.379 -10.809 1.00 0.00 N ATOM 294 CA PRO A 20 -4.005 -14.222 -9.987 1.00 0.00 C ATOM 295 C PRO A 20 -2.990 -13.384 -9.208 1.00 0.00 C ATOM 296 O PRO A 20 -2.388 -12.463 -9.759 1.00 0.00 O ATOM 297 CB PRO A 20 -3.354 -15.191 -10.960 1.00 0.00 C ATOM 298 CG PRO A 20 -3.500 -14.562 -12.336 1.00 0.00 C ATOM 299 CD PRO A 20 -4.518 -13.437 -12.228 1.00 0.00 C ATOM 0 HA PRO A 20 -4.562 -14.761 -9.221 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.304 -15.347 -10.712 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.839 -16.166 -10.923 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.541 -14.177 -12.684 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.828 -15.305 -13.063 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.102 -12.491 -12.575 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.399 -13.640 -12.837 1.00 0.00 H new ATOM 307 N VAL A 21 -2.832 -13.732 -7.940 1.00 0.00 N ATOM 308 CA VAL A 21 -1.898 -13.023 -7.080 1.00 0.00 C ATOM 309 C VAL A 21 -0.533 -12.952 -7.766 1.00 0.00 C ATOM 310 O VAL A 21 0.181 -11.958 -7.633 1.00 0.00 O ATOM 311 CB VAL A 21 -1.844 -13.691 -5.705 1.00 0.00 C ATOM 312 CG1 VAL A 21 -0.697 -14.702 -5.632 1.00 0.00 C ATOM 313 CG2 VAL A 21 -1.725 -12.647 -4.592 1.00 0.00 C ATOM 0 H VAL A 21 -3.334 -14.495 -7.487 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.231 -11.998 -6.915 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.779 -14.232 -5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.680 -15.163 -4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.842 -15.472 -6.389 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.250 -14.192 -5.810 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.689 -13.149 -3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.814 -12.066 -4.734 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.588 -11.982 -4.623 1.00 0.00 H new ATOM 323 N SER A 22 -0.210 -14.017 -8.483 1.00 0.00 N ATOM 324 CA SER A 22 1.058 -14.087 -9.189 1.00 0.00 C ATOM 325 C SER A 22 1.175 -12.922 -10.173 1.00 0.00 C ATOM 326 O SER A 22 2.261 -12.384 -10.378 1.00 0.00 O ATOM 327 CB SER A 22 1.204 -15.420 -9.927 1.00 0.00 C ATOM 328 OG SER A 22 2.019 -15.301 -11.090 1.00 0.00 O ATOM 0 H SER A 22 -0.804 -14.839 -8.591 1.00 0.00 H new ATOM 0 HA SER A 22 1.861 -14.017 -8.456 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.638 -16.161 -9.255 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.218 -15.787 -10.212 1.00 0.00 H new ATOM 0 HG SER A 22 2.088 -16.173 -11.531 1.00 0.00 H new ATOM 334 N ARG A 23 0.039 -12.565 -10.757 1.00 0.00 N ATOM 335 CA ARG A 23 0.001 -11.473 -11.714 1.00 0.00 C ATOM 336 C ARG A 23 0.090 -10.129 -10.989 1.00 0.00 C ATOM 337 O ARG A 23 0.470 -9.122 -11.586 1.00 0.00 O ATOM 338 CB ARG A 23 -1.284 -11.513 -12.544 1.00 0.00 C ATOM 339 CG ARG A 23 -0.970 -11.648 -14.035 1.00 0.00 C ATOM 340 CD ARG A 23 -0.560 -13.080 -14.382 1.00 0.00 C ATOM 341 NE ARG A 23 -1.265 -13.526 -15.604 1.00 0.00 N ATOM 342 CZ ARG A 23 -0.894 -14.581 -16.342 1.00 0.00 C ATOM 343 NH1 ARG A 23 0.176 -15.305 -15.987 1.00 0.00 N ATOM 344 NH2 ARG A 23 -1.594 -14.913 -17.436 1.00 0.00 N ATOM 0 H ARG A 23 -0.861 -13.013 -10.585 1.00 0.00 H new ATOM 0 HA ARG A 23 0.855 -11.587 -12.382 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.903 -12.350 -12.222 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.861 -10.605 -12.371 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.844 -11.364 -14.621 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.168 -10.961 -14.305 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.518 -13.132 -14.535 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.796 -13.746 -13.552 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.084 -12.997 -15.903 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.709 -15.053 -15.154 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.458 -16.108 -16.549 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.409 -14.362 -17.707 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.312 -15.716 -17.998 1.00 0.00 H new ATOM 358 N ILE A 24 -0.267 -10.155 -9.714 1.00 0.00 N ATOM 359 CA ILE A 24 -0.233 -8.952 -8.901 1.00 0.00 C ATOM 360 C ILE A 24 1.159 -8.798 -8.283 1.00 0.00 C ATOM 361 O ILE A 24 1.833 -9.790 -8.010 1.00 0.00 O ATOM 362 CB ILE A 24 -1.364 -8.967 -7.872 1.00 0.00 C ATOM 363 CG1 ILE A 24 -2.723 -9.146 -8.553 1.00 0.00 C ATOM 364 CG2 ILE A 24 -1.324 -7.714 -6.993 1.00 0.00 C ATOM 365 CD1 ILE A 24 -3.567 -10.193 -7.825 1.00 0.00 C ATOM 0 H ILE A 24 -0.582 -10.992 -9.223 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.408 -8.071 -9.518 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.217 -9.825 -7.216 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.253 -8.194 -8.570 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.577 -9.448 -9.590 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.139 -7.750 -6.270 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.372 -7.671 -6.464 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.433 -6.828 -7.618 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.527 -10.301 -8.329 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.045 -11.150 -7.831 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.731 -9.876 -6.795 1.00 0.00 H new ATOM 377 N LYS A 25 1.546 -7.547 -8.081 1.00 0.00 N ATOM 378 CA LYS A 25 2.846 -7.252 -7.500 1.00 0.00 C ATOM 379 C LYS A 25 2.659 -6.783 -6.056 1.00 0.00 C ATOM 380 O LYS A 25 2.991 -7.506 -5.117 1.00 0.00 O ATOM 381 CB LYS A 25 3.610 -6.257 -8.376 1.00 0.00 C ATOM 382 CG LYS A 25 5.103 -6.588 -8.406 1.00 0.00 C ATOM 383 CD LYS A 25 5.751 -6.322 -7.045 1.00 0.00 C ATOM 384 CE LYS A 25 6.715 -5.137 -7.118 1.00 0.00 C ATOM 385 NZ LYS A 25 7.090 -4.690 -5.758 1.00 0.00 N ATOM 0 H LYS A 25 0.984 -6.727 -8.309 1.00 0.00 H new ATOM 0 HA LYS A 25 3.462 -8.151 -7.467 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.209 -6.276 -9.389 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.465 -5.246 -7.995 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.242 -7.634 -8.681 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.597 -5.989 -9.171 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.978 -6.121 -6.303 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.287 -7.211 -6.714 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.609 -5.421 -7.673 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.250 -4.315 -7.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.976 -3.659 -5.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.477 -5.155 -5.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.081 -4.942 -5.571 1.00 0.00 H new ATOM 399 N THR A 26 2.128 -5.576 -5.924 1.00 0.00 N ATOM 400 CA THR A 26 1.893 -5.003 -4.609 1.00 0.00 C ATOM 401 C THR A 26 0.473 -4.442 -4.518 1.00 0.00 C ATOM 402 O THR A 26 -0.219 -4.327 -5.528 1.00 0.00 O ATOM 403 CB THR A 26 2.978 -3.955 -4.351 1.00 0.00 C ATOM 404 OG1 THR A 26 3.108 -3.934 -2.932 1.00 0.00 O ATOM 405 CG2 THR A 26 2.518 -2.538 -4.703 1.00 0.00 C ATOM 0 H THR A 26 1.854 -4.980 -6.705 1.00 0.00 H new ATOM 0 HA THR A 26 1.960 -5.761 -3.829 1.00 0.00 H new ATOM 0 HB THR A 26 3.868 -4.203 -4.930 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.793 -3.282 -2.676 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.325 -1.833 -4.502 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.253 -2.493 -5.759 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.649 -2.277 -4.099 1.00 0.00 H new ATOM 413 N TYR A 27 0.079 -4.109 -3.297 1.00 0.00 N ATOM 414 CA TYR A 27 -1.247 -3.564 -3.061 1.00 0.00 C ATOM 415 C TYR A 27 -1.215 -2.505 -1.957 1.00 0.00 C ATOM 416 O TYR A 27 -0.320 -2.509 -1.114 1.00 0.00 O ATOM 417 CB TYR A 27 -2.110 -4.740 -2.599 1.00 0.00 C ATOM 418 CG TYR A 27 -1.605 -5.420 -1.325 1.00 0.00 C ATOM 419 CD1 TYR A 27 -0.443 -6.163 -1.354 1.00 0.00 C ATOM 420 CD2 TYR A 27 -2.312 -5.289 -0.147 1.00 0.00 C ATOM 421 CE1 TYR A 27 0.033 -6.804 -0.154 1.00 0.00 C ATOM 422 CE2 TYR A 27 -1.836 -5.929 1.052 1.00 0.00 C ATOM 423 CZ TYR A 27 -0.688 -6.655 0.989 1.00 0.00 C ATOM 424 OH TYR A 27 -0.239 -7.260 2.122 1.00 0.00 O ATOM 0 H TYR A 27 0.655 -4.206 -2.461 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.634 -3.091 -3.963 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.127 -4.387 -2.431 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -2.157 -5.479 -3.399 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.110 -6.264 -2.276 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.221 -4.707 -0.124 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.941 -7.389 -0.163 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.379 -5.834 1.981 1.00 0.00 H new ATOM 0 HH TYR A 27 -0.520 -8.199 2.125 1.00 0.00 H new ATOM 434 N THR A 28 -2.203 -1.624 -1.999 1.00 0.00 N ATOM 435 CA THR A 28 -2.300 -0.561 -1.012 1.00 0.00 C ATOM 436 C THR A 28 -3.727 -0.467 -0.469 1.00 0.00 C ATOM 437 O THR A 28 -4.673 -0.263 -1.229 1.00 0.00 O ATOM 438 CB THR A 28 -1.811 0.734 -1.663 1.00 0.00 C ATOM 439 OG1 THR A 28 -0.528 0.953 -1.080 1.00 0.00 O ATOM 440 CG2 THR A 28 -2.629 1.953 -1.231 1.00 0.00 C ATOM 0 H THR A 28 -2.943 -1.624 -2.700 1.00 0.00 H new ATOM 0 HA THR A 28 -1.669 -0.765 -0.147 1.00 0.00 H new ATOM 0 HB THR A 28 -1.855 0.633 -2.747 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.137 1.773 -1.448 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.240 2.845 -1.722 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.672 1.810 -1.513 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.558 2.074 -0.150 1.00 0.00 H new ATOM 448 N ILE A 29 -3.838 -0.619 0.843 1.00 0.00 N ATOM 449 CA ILE A 29 -5.134 -0.553 1.497 1.00 0.00 C ATOM 450 C ILE A 29 -5.306 0.824 2.140 1.00 0.00 C ATOM 451 O ILE A 29 -4.377 1.347 2.754 1.00 0.00 O ATOM 452 CB ILE A 29 -5.298 -1.715 2.479 1.00 0.00 C ATOM 453 CG1 ILE A 29 -5.402 -3.049 1.737 1.00 0.00 C ATOM 454 CG2 ILE A 29 -6.490 -1.482 3.410 1.00 0.00 C ATOM 455 CD1 ILE A 29 -5.568 -4.211 2.718 1.00 0.00 C ATOM 0 H ILE A 29 -3.052 -0.788 1.470 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.936 -0.667 0.767 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.406 -1.763 3.104 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.249 -3.023 1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.508 -3.204 1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.584 -2.322 4.098 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.335 -0.564 3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.401 -1.393 2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.639 -5.147 2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.707 -4.249 3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.476 -4.066 3.304 1.00 0.00 H new ATOM 467 N THR A 30 -6.501 1.373 1.977 1.00 0.00 N ATOM 468 CA THR A 30 -6.807 2.680 2.534 1.00 0.00 C ATOM 469 C THR A 30 -7.740 2.541 3.739 1.00 0.00 C ATOM 470 O THR A 30 -8.403 1.517 3.901 1.00 0.00 O ATOM 471 CB THR A 30 -7.386 3.548 1.415 1.00 0.00 C ATOM 472 OG1 THR A 30 -8.178 2.643 0.650 1.00 0.00 O ATOM 473 CG2 THR A 30 -6.315 4.027 0.434 1.00 0.00 C ATOM 0 H THR A 30 -7.269 0.936 1.467 1.00 0.00 H new ATOM 0 HA THR A 30 -5.909 3.168 2.912 1.00 0.00 H new ATOM 0 HB THR A 30 -7.893 4.410 1.848 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.196 2.934 -0.286 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.778 4.639 -0.340 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.571 4.619 0.968 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.831 3.165 -0.026 1.00 0.00 H new ATOM 481 N GLU A 31 -7.761 3.585 4.554 1.00 0.00 N ATOM 482 CA GLU A 31 -8.601 3.593 5.739 1.00 0.00 C ATOM 483 C GLU A 31 -9.610 4.740 5.668 1.00 0.00 C ATOM 484 O GLU A 31 -10.631 4.717 6.353 1.00 0.00 O ATOM 485 CB GLU A 31 -7.755 3.684 7.012 1.00 0.00 C ATOM 486 CG GLU A 31 -7.872 2.404 7.842 1.00 0.00 C ATOM 487 CD GLU A 31 -6.721 1.444 7.535 1.00 0.00 C ATOM 488 OE1 GLU A 31 -5.574 1.807 7.873 1.00 0.00 O ATOM 489 OE2 GLU A 31 -7.014 0.369 6.968 1.00 0.00 O ATOM 0 H GLU A 31 -7.209 4.432 4.417 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.152 2.653 5.775 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.712 3.856 6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.078 4.538 7.607 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.869 2.653 8.903 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.823 1.916 7.632 1.00 0.00 H new ATOM 496 N GLY A 32 -9.287 5.718 4.833 1.00 0.00 N ATOM 497 CA GLY A 32 -10.152 6.873 4.664 1.00 0.00 C ATOM 498 C GLY A 32 -11.454 6.483 3.960 1.00 0.00 C ATOM 499 O GLY A 32 -11.713 5.302 3.733 1.00 0.00 O ATOM 0 H GLY A 32 -8.439 5.734 4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.377 7.309 5.637 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.635 7.637 4.084 1.00 0.00 H new ATOM 503 N SER A 33 -12.240 7.499 3.635 1.00 0.00 N ATOM 504 CA SER A 33 -13.509 7.279 2.962 1.00 0.00 C ATOM 505 C SER A 33 -13.361 6.170 1.919 1.00 0.00 C ATOM 506 O SER A 33 -14.320 5.455 1.627 1.00 0.00 O ATOM 507 CB SER A 33 -14.014 8.564 2.302 1.00 0.00 C ATOM 508 OG SER A 33 -15.119 9.125 3.004 1.00 0.00 O ATOM 0 H SER A 33 -12.022 8.477 3.825 1.00 0.00 H new ATOM 0 HA SER A 33 -14.243 6.974 3.708 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.204 9.292 2.259 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.307 8.353 1.274 1.00 0.00 H new ATOM 0 HG SER A 33 -15.411 9.944 2.553 1.00 0.00 H new ATOM 514 N LEU A 34 -12.154 6.059 1.385 1.00 0.00 N ATOM 515 CA LEU A 34 -11.869 5.049 0.380 1.00 0.00 C ATOM 516 C LEU A 34 -12.033 3.660 1.000 1.00 0.00 C ATOM 517 O LEU A 34 -12.793 2.836 0.493 1.00 0.00 O ATOM 518 CB LEU A 34 -10.492 5.286 -0.243 1.00 0.00 C ATOM 519 CG LEU A 34 -10.487 5.792 -1.686 1.00 0.00 C ATOM 520 CD1 LEU A 34 -9.082 6.227 -2.110 1.00 0.00 C ATOM 521 CD2 LEU A 34 -11.074 4.746 -2.636 1.00 0.00 C ATOM 0 H LEU A 34 -11.361 6.652 1.630 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.581 5.118 -0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.955 6.005 0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.932 4.352 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.127 6.672 -1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.107 6.582 -3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.737 7.029 -1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.401 5.380 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.059 5.131 -3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.480 3.833 -2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -12.102 4.527 -2.346 1.00 0.00 H new ATOM 533 N ARG A 35 -11.308 3.442 2.088 1.00 0.00 N ATOM 534 CA ARG A 35 -11.364 2.167 2.782 1.00 0.00 C ATOM 535 C ARG A 35 -11.478 1.020 1.776 1.00 0.00 C ATOM 536 O ARG A 35 -12.382 0.191 1.875 1.00 0.00 O ATOM 537 CB ARG A 35 -12.553 2.114 3.743 1.00 0.00 C ATOM 538 CG ARG A 35 -12.327 1.071 4.839 1.00 0.00 C ATOM 539 CD ARG A 35 -12.853 1.568 6.186 1.00 0.00 C ATOM 540 NE ARG A 35 -12.832 0.468 7.176 1.00 0.00 N ATOM 541 CZ ARG A 35 -13.759 -0.498 7.244 1.00 0.00 C ATOM 542 NH1 ARG A 35 -14.785 -0.505 6.382 1.00 0.00 N ATOM 543 NH2 ARG A 35 -13.660 -1.457 8.175 1.00 0.00 N ATOM 0 H ARG A 35 -10.679 4.127 2.506 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.443 2.061 3.356 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.704 3.094 4.195 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.461 1.875 3.190 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.828 0.141 4.570 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.263 0.848 4.920 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.242 2.398 6.540 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.869 1.946 6.072 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.065 0.443 7.848 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.861 0.225 5.674 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.490 -1.240 6.434 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.879 -1.452 8.832 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.365 -2.192 8.227 1.00 0.00 H new ATOM 557 N ALA A 36 -10.550 1.009 0.831 1.00 0.00 N ATOM 558 CA ALA A 36 -10.536 -0.023 -0.193 1.00 0.00 C ATOM 559 C ALA A 36 -9.102 -0.517 -0.393 1.00 0.00 C ATOM 560 O ALA A 36 -8.147 0.199 -0.092 1.00 0.00 O ATOM 561 CB ALA A 36 -11.148 0.528 -1.482 1.00 0.00 C ATOM 0 H ALA A 36 -9.802 1.698 0.752 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.139 -0.877 0.115 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.137 -0.246 -2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.176 0.838 -1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.567 1.385 -1.823 1.00 0.00 H new ATOM 567 N VAL A 37 -8.994 -1.737 -0.897 1.00 0.00 N ATOM 568 CA VAL A 37 -7.693 -2.335 -1.142 1.00 0.00 C ATOM 569 C VAL A 37 -7.310 -2.132 -2.609 1.00 0.00 C ATOM 570 O VAL A 37 -8.078 -2.473 -3.507 1.00 0.00 O ATOM 571 CB VAL A 37 -7.708 -3.807 -0.725 1.00 0.00 C ATOM 572 CG1 VAL A 37 -8.481 -4.001 0.580 1.00 0.00 C ATOM 573 CG2 VAL A 37 -8.283 -4.686 -1.839 1.00 0.00 C ATOM 0 H VAL A 37 -9.788 -2.329 -1.143 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.928 -1.847 -0.537 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.677 -4.116 -0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.476 -5.056 0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.010 -3.419 1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.510 -3.666 0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.283 -5.728 -1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.304 -4.374 -2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.672 -4.583 -2.736 1.00 0.00 H new ATOM 583 N ILE A 38 -6.123 -1.578 -2.806 1.00 0.00 N ATOM 584 CA ILE A 38 -5.628 -1.326 -4.149 1.00 0.00 C ATOM 585 C ILE A 38 -4.670 -2.448 -4.554 1.00 0.00 C ATOM 586 O ILE A 38 -3.758 -2.791 -3.805 1.00 0.00 O ATOM 587 CB ILE A 38 -5.011 0.071 -4.238 1.00 0.00 C ATOM 588 CG1 ILE A 38 -6.017 1.143 -3.812 1.00 0.00 C ATOM 589 CG2 ILE A 38 -4.452 0.335 -5.638 1.00 0.00 C ATOM 590 CD1 ILE A 38 -6.929 1.533 -4.977 1.00 0.00 C ATOM 0 H ILE A 38 -5.489 -1.296 -2.058 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.449 -1.334 -4.866 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.174 0.120 -3.542 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.619 0.773 -2.982 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.485 2.023 -3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.019 1.335 -5.674 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.683 -0.402 -5.867 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.256 0.261 -6.371 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.634 2.296 -4.647 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.326 1.926 -5.796 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.478 0.655 -5.319 1.00 0.00 H new ATOM 602 N PHE A 39 -4.911 -2.989 -5.739 1.00 0.00 N ATOM 603 CA PHE A 39 -4.082 -4.065 -6.254 1.00 0.00 C ATOM 604 C PHE A 39 -3.242 -3.590 -7.441 1.00 0.00 C ATOM 605 O PHE A 39 -3.785 -3.215 -8.478 1.00 0.00 O ATOM 606 CB PHE A 39 -5.027 -5.173 -6.723 1.00 0.00 C ATOM 607 CG PHE A 39 -5.324 -6.230 -5.656 1.00 0.00 C ATOM 608 CD1 PHE A 39 -6.048 -5.899 -4.554 1.00 0.00 C ATOM 609 CD2 PHE A 39 -4.865 -7.501 -5.812 1.00 0.00 C ATOM 610 CE1 PHE A 39 -6.326 -6.879 -3.565 1.00 0.00 C ATOM 611 CE2 PHE A 39 -5.141 -8.481 -4.823 1.00 0.00 C ATOM 612 CZ PHE A 39 -5.866 -8.150 -3.720 1.00 0.00 C ATOM 0 H PHE A 39 -5.669 -2.702 -6.358 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.401 -4.414 -5.478 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.966 -4.723 -7.046 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.592 -5.663 -7.594 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.412 -4.890 -4.431 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.291 -7.764 -6.688 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.902 -6.616 -2.690 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.775 -9.490 -4.946 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.076 -8.896 -2.968 1.00 0.00 H new ATOM 622 N ILE A 40 -1.931 -3.624 -7.249 1.00 0.00 N ATOM 623 CA ILE A 40 -1.011 -3.202 -8.291 1.00 0.00 C ATOM 624 C ILE A 40 -0.379 -4.436 -8.938 1.00 0.00 C ATOM 625 O ILE A 40 0.115 -5.322 -8.241 1.00 0.00 O ATOM 626 CB ILE A 40 0.010 -2.209 -7.734 1.00 0.00 C ATOM 627 CG1 ILE A 40 -0.650 -1.231 -6.759 1.00 0.00 C ATOM 628 CG2 ILE A 40 0.742 -1.482 -8.865 1.00 0.00 C ATOM 629 CD1 ILE A 40 0.330 -0.138 -6.330 1.00 0.00 C ATOM 0 H ILE A 40 -1.485 -3.937 -6.387 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.545 -2.668 -9.077 1.00 0.00 H new ATOM 0 HB ILE A 40 0.758 -2.769 -7.172 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.523 -0.778 -7.229 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.005 -1.771 -5.881 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.462 -0.782 -8.441 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.265 -2.209 -9.486 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.021 -0.937 -9.474 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.165 0.543 -5.638 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.190 -0.593 -5.839 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.664 0.416 -7.207 1.00 0.00 H new ATOM 641 N THR A 41 -0.414 -4.455 -10.262 1.00 0.00 N ATOM 642 CA THR A 41 0.149 -5.566 -11.011 1.00 0.00 C ATOM 643 C THR A 41 1.547 -5.210 -11.521 1.00 0.00 C ATOM 644 O THR A 41 1.948 -4.048 -11.486 1.00 0.00 O ATOM 645 CB THR A 41 -0.831 -5.929 -12.127 1.00 0.00 C ATOM 646 OG1 THR A 41 -1.303 -4.670 -12.598 1.00 0.00 O ATOM 647 CG2 THR A 41 -2.089 -6.624 -11.599 1.00 0.00 C ATOM 0 H THR A 41 -0.824 -3.718 -10.836 1.00 0.00 H new ATOM 0 HA THR A 41 0.281 -6.444 -10.378 1.00 0.00 H new ATOM 0 HB THR A 41 -0.334 -6.577 -12.849 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.999 -4.335 -11.995 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.751 -6.860 -12.432 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.808 -7.544 -11.087 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.604 -5.963 -10.902 1.00 0.00 H new ATOM 655 N LYS A 42 2.251 -6.234 -11.982 1.00 0.00 N ATOM 656 CA LYS A 42 3.595 -6.044 -12.500 1.00 0.00 C ATOM 657 C LYS A 42 3.548 -5.087 -13.692 1.00 0.00 C ATOM 658 O LYS A 42 4.472 -4.301 -13.899 1.00 0.00 O ATOM 659 CB LYS A 42 4.242 -7.394 -12.818 1.00 0.00 C ATOM 660 CG LYS A 42 5.130 -7.862 -11.664 1.00 0.00 C ATOM 661 CD LYS A 42 4.888 -9.340 -11.351 1.00 0.00 C ATOM 662 CE LYS A 42 3.401 -9.617 -11.128 1.00 0.00 C ATOM 663 NZ LYS A 42 2.830 -10.347 -12.283 1.00 0.00 N ATOM 0 H LYS A 42 1.916 -7.197 -12.007 1.00 0.00 H new ATOM 0 HA LYS A 42 4.232 -5.581 -11.746 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.467 -8.136 -13.010 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.836 -7.311 -13.728 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.178 -7.708 -11.921 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.927 -7.261 -10.778 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.257 -9.954 -12.172 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.452 -9.624 -10.462 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.267 -10.202 -10.218 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.868 -8.677 -10.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.971 -9.861 -12.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.527 -10.376 -13.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.590 -11.317 -11.996 1.00 0.00 H new ATOM 677 N ARG A 43 2.464 -5.186 -14.447 1.00 0.00 N ATOM 678 CA ARG A 43 2.284 -4.340 -15.614 1.00 0.00 C ATOM 679 C ARG A 43 2.226 -2.868 -15.199 1.00 0.00 C ATOM 680 O ARG A 43 2.506 -1.981 -16.004 1.00 0.00 O ATOM 681 CB ARG A 43 1.001 -4.701 -16.366 1.00 0.00 C ATOM 682 CG ARG A 43 1.306 -5.090 -17.814 1.00 0.00 C ATOM 683 CD ARG A 43 0.562 -6.369 -18.205 1.00 0.00 C ATOM 684 NE ARG A 43 0.219 -6.335 -19.646 1.00 0.00 N ATOM 685 CZ ARG A 43 -0.715 -7.107 -20.213 1.00 0.00 C ATOM 686 NH1 ARG A 43 -1.408 -7.979 -19.468 1.00 0.00 N ATOM 687 NH2 ARG A 43 -0.959 -7.007 -21.528 1.00 0.00 N ATOM 0 H ARG A 43 1.701 -5.840 -14.273 1.00 0.00 H new ATOM 0 HA ARG A 43 3.136 -4.502 -16.274 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.500 -5.527 -15.862 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.315 -3.854 -16.350 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.017 -4.278 -18.481 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.379 -5.237 -17.937 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.181 -7.240 -17.991 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.345 -6.469 -17.609 1.00 0.00 H new ATOM 0 HE ARG A 43 0.727 -5.682 -20.243 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.224 -8.055 -18.468 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.120 -8.567 -19.901 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.433 -6.343 -22.095 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.671 -7.595 -21.961 1.00 0.00 H new ATOM 701 N GLY A 44 1.860 -2.655 -13.943 1.00 0.00 N ATOM 702 CA GLY A 44 1.762 -1.307 -13.411 1.00 0.00 C ATOM 703 C GLY A 44 0.300 -0.871 -13.288 1.00 0.00 C ATOM 704 O GLY A 44 0.015 0.244 -12.855 1.00 0.00 O ATOM 0 H GLY A 44 1.628 -3.394 -13.279 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.242 -1.262 -12.433 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.298 -0.616 -14.061 1.00 0.00 H new ATOM 708 N LEU A 45 -0.588 -1.774 -13.677 1.00 0.00 N ATOM 709 CA LEU A 45 -2.013 -1.498 -13.617 1.00 0.00 C ATOM 710 C LEU A 45 -2.508 -1.709 -12.184 1.00 0.00 C ATOM 711 O LEU A 45 -2.458 -2.824 -11.665 1.00 0.00 O ATOM 712 CB LEU A 45 -2.765 -2.329 -14.657 1.00 0.00 C ATOM 713 CG LEU A 45 -3.090 -1.623 -15.974 1.00 0.00 C ATOM 714 CD1 LEU A 45 -2.264 -2.199 -17.125 1.00 0.00 C ATOM 715 CD2 LEU A 45 -4.591 -1.670 -16.266 1.00 0.00 C ATOM 0 H LEU A 45 -0.348 -2.698 -14.035 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.211 -0.457 -13.873 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.173 -3.217 -14.880 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.699 -2.672 -14.212 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.814 -0.573 -15.875 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.515 -1.679 -18.049 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.203 -2.069 -16.912 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.484 -3.261 -17.235 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.795 -1.161 -17.208 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.915 -2.708 -16.337 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.134 -1.175 -15.461 1.00 0.00 H new ATOM 727 N LYS A 46 -2.974 -0.623 -11.587 1.00 0.00 N ATOM 728 CA LYS A 46 -3.478 -0.676 -10.225 1.00 0.00 C ATOM 729 C LYS A 46 -5.007 -0.615 -10.249 1.00 0.00 C ATOM 730 O LYS A 46 -5.588 0.177 -10.989 1.00 0.00 O ATOM 731 CB LYS A 46 -2.832 0.416 -9.371 1.00 0.00 C ATOM 732 CG LYS A 46 -3.131 1.806 -9.940 1.00 0.00 C ATOM 733 CD LYS A 46 -2.838 2.895 -8.907 1.00 0.00 C ATOM 734 CE LYS A 46 -1.409 2.777 -8.375 1.00 0.00 C ATOM 735 NZ LYS A 46 -0.698 4.069 -8.506 1.00 0.00 N ATOM 0 H LYS A 46 -3.013 0.299 -12.021 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.203 -1.620 -9.754 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.203 0.350 -8.348 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.754 0.260 -9.329 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.529 1.975 -10.833 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.176 1.861 -10.245 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.982 3.877 -9.358 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.545 2.817 -8.081 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.428 2.470 -7.329 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.873 2.003 -8.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.271 3.971 -8.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.663 4.346 -9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.201 4.799 -7.962 1.00 0.00 H new ATOM 749 N VAL A 47 -5.614 -1.461 -9.429 1.00 0.00 N ATOM 750 CA VAL A 47 -7.064 -1.512 -9.347 1.00 0.00 C ATOM 751 C VAL A 47 -7.488 -1.502 -7.877 1.00 0.00 C ATOM 752 O VAL A 47 -6.655 -1.666 -6.987 1.00 0.00 O ATOM 753 CB VAL A 47 -7.588 -2.728 -10.113 1.00 0.00 C ATOM 754 CG1 VAL A 47 -7.890 -3.887 -9.160 1.00 0.00 C ATOM 755 CG2 VAL A 47 -8.822 -2.365 -10.941 1.00 0.00 C ATOM 0 H VAL A 47 -5.128 -2.116 -8.816 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.505 -0.633 -9.818 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.807 -3.053 -10.800 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.261 -4.739 -9.730 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.979 -4.172 -8.633 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.645 -3.577 -8.438 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.174 -3.247 -11.475 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.610 -2.003 -10.280 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.563 -1.586 -11.658 1.00 0.00 H new ATOM 765 N CYS A 48 -8.782 -1.309 -7.668 1.00 0.00 N ATOM 766 CA CYS A 48 -9.326 -1.276 -6.321 1.00 0.00 C ATOM 767 C CYS A 48 -10.135 -2.556 -6.099 1.00 0.00 C ATOM 768 O CYS A 48 -10.591 -3.181 -7.055 1.00 0.00 O ATOM 769 CB CYS A 48 -10.167 -0.021 -6.082 1.00 0.00 C ATOM 770 SG CYS A 48 -9.431 1.529 -6.720 1.00 0.00 S ATOM 0 H CYS A 48 -9.470 -1.174 -8.409 1.00 0.00 H new ATOM 0 HA CYS A 48 -8.512 -1.231 -5.598 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -11.143 -0.161 -6.546 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -10.336 0.088 -5.011 1.00 0.00 H new ATOM 775 N ALA A 49 -10.287 -2.907 -4.831 1.00 0.00 N ATOM 776 CA ALA A 49 -11.033 -4.102 -4.469 1.00 0.00 C ATOM 777 C ALA A 49 -11.606 -3.933 -3.061 1.00 0.00 C ATOM 778 O ALA A 49 -11.077 -3.164 -2.260 1.00 0.00 O ATOM 779 CB ALA A 49 -10.123 -5.327 -4.587 1.00 0.00 C ATOM 0 H ALA A 49 -9.907 -2.386 -4.041 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.871 -4.253 -5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.682 -6.223 -4.316 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.767 -5.418 -5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.271 -5.214 -3.916 1.00 0.00 H new ATOM 785 N ASP A 50 -12.679 -4.666 -2.802 1.00 0.00 N ATOM 786 CA ASP A 50 -13.330 -4.608 -1.504 1.00 0.00 C ATOM 787 C ASP A 50 -12.630 -5.572 -0.544 1.00 0.00 C ATOM 788 O ASP A 50 -12.404 -6.733 -0.879 1.00 0.00 O ATOM 789 CB ASP A 50 -14.798 -5.024 -1.604 1.00 0.00 C ATOM 790 CG ASP A 50 -15.807 -3.912 -1.314 1.00 0.00 C ATOM 791 OD1 ASP A 50 -15.345 -2.781 -1.048 1.00 0.00 O ATOM 792 OD2 ASP A 50 -17.019 -4.217 -1.366 1.00 0.00 O ATOM 0 H ASP A 50 -13.114 -5.303 -3.469 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.271 -3.581 -1.143 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.983 -5.409 -2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.975 -5.845 -0.909 1.00 0.00 H new ATOM 797 N PRO A 51 -12.296 -5.039 0.663 1.00 0.00 N ATOM 798 CA PRO A 51 -11.627 -5.840 1.674 1.00 0.00 C ATOM 799 C PRO A 51 -12.601 -6.817 2.335 1.00 0.00 C ATOM 800 O PRO A 51 -12.221 -7.564 3.234 1.00 0.00 O ATOM 801 CB PRO A 51 -11.043 -4.831 2.651 1.00 0.00 C ATOM 802 CG PRO A 51 -11.796 -3.533 2.409 1.00 0.00 C ATOM 803 CD PRO A 51 -12.548 -3.668 1.095 1.00 0.00 C ATOM 0 HA PRO A 51 -10.843 -6.473 1.258 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.166 -5.168 3.680 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.974 -4.699 2.484 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.489 -3.336 3.227 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.104 -2.692 2.368 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.614 -3.484 1.228 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.190 -2.949 0.358 1.00 0.00 H new ATOM 811 N GLN A 52 -13.838 -6.778 1.862 1.00 0.00 N ATOM 812 CA GLN A 52 -14.870 -7.651 2.397 1.00 0.00 C ATOM 813 C GLN A 52 -14.789 -9.031 1.741 1.00 0.00 C ATOM 814 O GLN A 52 -15.361 -9.997 2.246 1.00 0.00 O ATOM 815 CB GLN A 52 -16.259 -7.035 2.210 1.00 0.00 C ATOM 816 CG GLN A 52 -17.348 -7.967 2.748 1.00 0.00 C ATOM 817 CD GLN A 52 -18.130 -8.613 1.602 1.00 0.00 C ATOM 818 OE1 GLN A 52 -18.847 -7.961 0.861 1.00 0.00 O ATOM 819 NE2 GLN A 52 -17.953 -9.927 1.498 1.00 0.00 N ATOM 0 H GLN A 52 -14.149 -6.157 1.115 1.00 0.00 H new ATOM 0 HA GLN A 52 -14.702 -7.769 3.467 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -16.308 -6.076 2.726 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -16.434 -6.837 1.152 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -16.896 -8.742 3.367 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -18.029 -7.406 3.387 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -17.338 -10.412 2.152 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -18.432 -10.450 0.765 1.00 0.00 H new ATOM 828 N ALA A 53 -14.077 -9.080 0.625 1.00 0.00 N ATOM 829 CA ALA A 53 -13.914 -10.326 -0.105 1.00 0.00 C ATOM 830 C ALA A 53 -12.841 -11.177 0.578 1.00 0.00 C ATOM 831 O ALA A 53 -11.762 -10.681 0.898 1.00 0.00 O ATOM 832 CB ALA A 53 -13.573 -10.020 -1.566 1.00 0.00 C ATOM 0 H ALA A 53 -13.606 -8.277 0.208 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.841 -10.899 -0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.451 -10.954 -2.114 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.379 -9.439 -2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.646 -9.448 -1.611 1.00 0.00 H new ATOM 838 N THR A 54 -13.176 -12.442 0.782 1.00 0.00 N ATOM 839 CA THR A 54 -12.256 -13.366 1.421 1.00 0.00 C ATOM 840 C THR A 54 -11.078 -13.673 0.495 1.00 0.00 C ATOM 841 O THR A 54 -9.931 -13.715 0.936 1.00 0.00 O ATOM 842 CB THR A 54 -13.045 -14.611 1.832 1.00 0.00 C ATOM 843 OG1 THR A 54 -13.697 -14.226 3.039 1.00 0.00 O ATOM 844 CG2 THR A 54 -12.136 -15.768 2.254 1.00 0.00 C ATOM 0 H THR A 54 -14.073 -12.849 0.516 1.00 0.00 H new ATOM 0 HA THR A 54 -11.818 -12.929 2.319 1.00 0.00 H new ATOM 0 HB THR A 54 -13.677 -14.929 1.003 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.233 -14.975 3.374 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.746 -16.626 2.536 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.486 -16.042 1.423 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.527 -15.461 3.104 1.00 0.00 H new ATOM 852 N TRP A 55 -11.401 -13.878 -0.774 1.00 0.00 N ATOM 853 CA TRP A 55 -10.384 -14.179 -1.767 1.00 0.00 C ATOM 854 C TRP A 55 -9.400 -13.009 -1.804 1.00 0.00 C ATOM 855 O TRP A 55 -8.187 -13.213 -1.845 1.00 0.00 O ATOM 856 CB TRP A 55 -11.017 -14.473 -3.128 1.00 0.00 C ATOM 857 CG TRP A 55 -11.458 -13.222 -3.892 1.00 0.00 C ATOM 858 CD1 TRP A 55 -12.659 -12.627 -3.877 1.00 0.00 C ATOM 859 CD2 TRP A 55 -10.649 -12.433 -4.789 1.00 0.00 C ATOM 860 NE1 TRP A 55 -12.681 -11.517 -4.697 1.00 0.00 N ATOM 861 CE2 TRP A 55 -11.421 -11.395 -5.269 1.00 0.00 C ATOM 862 CE3 TRP A 55 -9.308 -12.592 -5.183 1.00 0.00 C ATOM 863 CZ2 TRP A 55 -10.942 -10.435 -6.167 1.00 0.00 C ATOM 864 CZ3 TRP A 55 -8.845 -11.624 -6.082 1.00 0.00 C ATOM 865 CH2 TRP A 55 -9.609 -10.573 -6.573 1.00 0.00 C ATOM 0 H TRP A 55 -12.353 -13.841 -1.137 1.00 0.00 H new ATOM 0 HA TRP A 55 -9.838 -15.084 -1.500 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -10.302 -15.026 -3.738 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -11.881 -15.121 -2.983 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -13.502 -12.972 -3.297 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -13.477 -10.899 -4.854 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -8.685 -13.397 -4.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -11.567 -9.631 -6.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.821 -11.700 -6.418 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -9.177 -9.865 -7.265 1.00 0.00 H new ATOM 876 N VAL A 56 -9.958 -11.807 -1.790 1.00 0.00 N ATOM 877 CA VAL A 56 -9.144 -10.604 -1.823 1.00 0.00 C ATOM 878 C VAL A 56 -8.186 -10.609 -0.630 1.00 0.00 C ATOM 879 O VAL A 56 -6.988 -10.379 -0.790 1.00 0.00 O ATOM 880 CB VAL A 56 -10.042 -9.366 -1.862 1.00 0.00 C ATOM 881 CG1 VAL A 56 -9.266 -8.112 -1.453 1.00 0.00 C ATOM 882 CG2 VAL A 56 -10.677 -9.192 -3.244 1.00 0.00 C ATOM 0 H VAL A 56 -10.964 -11.641 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.537 -10.578 -2.728 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.846 -9.513 -1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.928 -7.247 -1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.884 -8.235 -0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.432 -7.960 -2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.310 -8.305 -3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.893 -9.079 -3.993 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.280 -10.069 -3.480 1.00 0.00 H new ATOM 892 N ARG A 57 -8.748 -10.875 0.539 1.00 0.00 N ATOM 893 CA ARG A 57 -7.959 -10.913 1.758 1.00 0.00 C ATOM 894 C ARG A 57 -7.006 -12.111 1.737 1.00 0.00 C ATOM 895 O ARG A 57 -5.899 -12.038 2.266 1.00 0.00 O ATOM 896 CB ARG A 57 -8.856 -11.008 2.994 1.00 0.00 C ATOM 897 CG ARG A 57 -8.674 -9.788 3.899 1.00 0.00 C ATOM 898 CD ARG A 57 -9.903 -9.574 4.785 1.00 0.00 C ATOM 899 NE ARG A 57 -9.539 -8.755 5.965 1.00 0.00 N ATOM 900 CZ ARG A 57 -10.251 -8.716 7.099 1.00 0.00 C ATOM 901 NH1 ARG A 57 -11.369 -9.446 7.214 1.00 0.00 N ATOM 902 NH2 ARG A 57 -9.846 -7.944 8.117 1.00 0.00 N ATOM 0 H ARG A 57 -9.741 -11.067 0.668 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.386 -9.987 1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.899 -11.084 2.686 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.621 -11.916 3.550 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.790 -9.922 4.523 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.502 -8.901 3.289 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.690 -9.078 4.216 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.301 -10.536 5.108 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.694 -8.186 5.910 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.678 -10.031 6.438 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.911 -9.416 8.078 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.996 -7.387 8.028 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.388 -7.914 8.981 1.00 0.00 H new ATOM 916 N ASP A 58 -7.473 -13.185 1.117 1.00 0.00 N ATOM 917 CA ASP A 58 -6.675 -14.397 1.019 1.00 0.00 C ATOM 918 C ASP A 58 -5.425 -14.113 0.184 1.00 0.00 C ATOM 919 O ASP A 58 -4.320 -14.491 0.569 1.00 0.00 O ATOM 920 CB ASP A 58 -7.459 -15.517 0.331 1.00 0.00 C ATOM 921 CG ASP A 58 -7.180 -16.923 0.865 1.00 0.00 C ATOM 922 OD1 ASP A 58 -6.878 -17.022 2.074 1.00 0.00 O ATOM 923 OD2 ASP A 58 -7.275 -17.868 0.053 1.00 0.00 O ATOM 0 H ASP A 58 -8.392 -13.242 0.678 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.410 -14.710 2.029 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.524 -15.310 0.434 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.232 -15.498 -0.735 1.00 0.00 H new ATOM 928 N VAL A 59 -5.642 -13.451 -0.942 1.00 0.00 N ATOM 929 CA VAL A 59 -4.546 -13.112 -1.835 1.00 0.00 C ATOM 930 C VAL A 59 -3.667 -12.048 -1.175 1.00 0.00 C ATOM 931 O VAL A 59 -2.447 -12.062 -1.330 1.00 0.00 O ATOM 932 CB VAL A 59 -5.094 -12.676 -3.194 1.00 0.00 C ATOM 933 CG1 VAL A 59 -5.985 -13.762 -3.801 1.00 0.00 C ATOM 934 CG2 VAL A 59 -5.847 -11.349 -3.082 1.00 0.00 C ATOM 0 H VAL A 59 -6.561 -13.140 -1.257 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.918 -13.984 -2.018 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.247 -12.525 -3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.361 -13.426 -4.767 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.405 -14.675 -3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.824 -13.959 -3.134 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.226 -11.062 -4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.681 -11.461 -2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.171 -10.577 -2.714 1.00 0.00 H new ATOM 944 N VAL A 60 -4.322 -11.150 -0.453 1.00 0.00 N ATOM 945 CA VAL A 60 -3.615 -10.081 0.231 1.00 0.00 C ATOM 946 C VAL A 60 -2.609 -10.686 1.212 1.00 0.00 C ATOM 947 O VAL A 60 -1.489 -10.195 1.340 1.00 0.00 O ATOM 948 CB VAL A 60 -4.616 -9.139 0.905 1.00 0.00 C ATOM 949 CG1 VAL A 60 -3.917 -8.231 1.918 1.00 0.00 C ATOM 950 CG2 VAL A 60 -5.379 -8.316 -0.135 1.00 0.00 C ATOM 0 H VAL A 60 -5.334 -11.141 -0.327 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.051 -9.479 -0.482 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.339 -9.749 1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.650 -7.572 2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.440 -8.841 2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.162 -7.632 1.409 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.084 -7.655 0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.675 -7.720 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.923 -8.986 -0.801 1.00 0.00 H new ATOM 960 N ARG A 61 -3.046 -11.743 1.881 1.00 0.00 N ATOM 961 CA ARG A 61 -2.198 -12.421 2.847 1.00 0.00 C ATOM 962 C ARG A 61 -0.917 -12.918 2.173 1.00 0.00 C ATOM 963 O ARG A 61 0.177 -12.744 2.707 1.00 0.00 O ATOM 964 CB ARG A 61 -2.925 -13.607 3.482 1.00 0.00 C ATOM 965 CG ARG A 61 -2.312 -13.965 4.837 1.00 0.00 C ATOM 966 CD ARG A 61 -1.103 -14.886 4.665 1.00 0.00 C ATOM 967 NE ARG A 61 -1.188 -16.017 5.616 1.00 0.00 N ATOM 968 CZ ARG A 61 -1.992 -17.077 5.452 1.00 0.00 C ATOM 969 NH1 ARG A 61 -2.783 -17.158 4.374 1.00 0.00 N ATOM 970 NH2 ARG A 61 -2.004 -18.057 6.366 1.00 0.00 N ATOM 0 H ARG A 61 -3.977 -12.147 1.773 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.947 -11.703 3.628 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.980 -13.365 3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.873 -14.469 2.816 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.010 -13.055 5.355 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.060 -14.454 5.461 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.065 -15.262 3.643 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.183 -14.327 4.834 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.598 -15.988 6.448 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.774 -16.413 3.677 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.395 -17.965 4.250 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.401 -17.996 7.187 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.616 -18.863 6.241 1.00 0.00 H new ATOM 984 N SER A 62 -1.097 -13.526 1.010 1.00 0.00 N ATOM 985 CA SER A 62 0.030 -14.050 0.258 1.00 0.00 C ATOM 986 C SER A 62 0.820 -12.899 -0.371 1.00 0.00 C ATOM 987 O SER A 62 2.048 -12.927 -0.399 1.00 0.00 O ATOM 988 CB SER A 62 -0.435 -15.027 -0.824 1.00 0.00 C ATOM 989 OG SER A 62 0.540 -16.032 -1.090 1.00 0.00 O ATOM 0 H SER A 62 -2.006 -13.667 0.570 1.00 0.00 H new ATOM 0 HA SER A 62 0.677 -14.594 0.947 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.366 -15.499 -0.510 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.649 -14.478 -1.741 1.00 0.00 H new ATOM 0 HG SER A 62 0.205 -16.637 -1.785 1.00 0.00 H new ATOM 995 N MET A 63 0.080 -11.914 -0.860 1.00 0.00 N ATOM 996 CA MET A 63 0.695 -10.757 -1.487 1.00 0.00 C ATOM 997 C MET A 63 1.899 -10.270 -0.677 1.00 0.00 C ATOM 998 O MET A 63 2.936 -9.932 -1.244 1.00 0.00 O ATOM 999 CB MET A 63 -0.333 -9.630 -1.598 1.00 0.00 C ATOM 1000 CG MET A 63 -1.273 -9.861 -2.785 1.00 0.00 C ATOM 1001 SD MET A 63 -1.234 -8.450 -3.878 1.00 0.00 S ATOM 1002 CE MET A 63 0.497 -8.444 -4.314 1.00 0.00 C ATOM 0 H MET A 63 -0.939 -11.894 -0.834 1.00 0.00 H new ATOM 0 HA MET A 63 1.040 -11.046 -2.480 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.913 -9.569 -0.677 1.00 0.00 H new ATOM 0 HB3 MET A 63 0.180 -8.675 -1.716 1.00 0.00 H new ATOM 0 HG2 MET A 63 -0.975 -10.759 -3.326 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.289 -10.027 -2.428 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.954 -7.514 -3.976 1.00 0.00 H new ATOM 0 HE2 MET A 63 0.995 -9.288 -3.837 1.00 0.00 H new ATOM 0 HE3 MET A 63 0.600 -8.527 -5.396 1.00 0.00 H new ATOM 1012 N ASP A 64 1.720 -10.251 0.636 1.00 0.00 N ATOM 1013 CA ASP A 64 2.779 -9.811 1.528 1.00 0.00 C ATOM 1014 C ASP A 64 4.015 -10.687 1.316 1.00 0.00 C ATOM 1015 O ASP A 64 5.139 -10.188 1.303 1.00 0.00 O ATOM 1016 CB ASP A 64 2.354 -9.941 2.993 1.00 0.00 C ATOM 1017 CG ASP A 64 2.822 -8.806 3.905 1.00 0.00 C ATOM 1018 OD1 ASP A 64 4.050 -8.572 3.936 1.00 0.00 O ATOM 1019 OD2 ASP A 64 1.942 -8.197 4.551 1.00 0.00 O ATOM 0 H ASP A 64 0.858 -10.533 1.103 1.00 0.00 H new ATOM 0 HA ASP A 64 2.995 -8.766 1.306 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.266 -9.997 3.036 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.737 -10.883 3.385 1.00 0.00 H new ATOM 1024 N ARG A 65 3.766 -11.979 1.155 1.00 0.00 N ATOM 1025 CA ARG A 65 4.845 -12.929 0.945 1.00 0.00 C ATOM 1026 C ARG A 65 5.448 -12.747 -0.450 1.00 0.00 C ATOM 1027 O ARG A 65 6.667 -12.753 -0.608 1.00 0.00 O ATOM 1028 CB ARG A 65 4.349 -14.369 1.093 1.00 0.00 C ATOM 1029 CG ARG A 65 5.290 -15.349 0.393 1.00 0.00 C ATOM 1030 CD ARG A 65 5.340 -16.687 1.133 1.00 0.00 C ATOM 1031 NE ARG A 65 5.699 -17.773 0.193 1.00 0.00 N ATOM 1032 CZ ARG A 65 6.051 -19.009 0.573 1.00 0.00 C ATOM 1033 NH1 ARG A 65 6.093 -19.324 1.874 1.00 0.00 N ATOM 1034 NH2 ARG A 65 6.361 -19.930 -0.350 1.00 0.00 N ATOM 0 H ARG A 65 2.832 -12.390 1.166 1.00 0.00 H new ATOM 0 HA ARG A 65 5.605 -12.739 1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.274 -14.624 2.150 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.348 -14.457 0.672 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.957 -15.509 -0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.291 -14.922 0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.070 -16.638 1.941 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.373 -16.895 1.590 1.00 0.00 H new ATOM 0 HE ARG A 65 5.677 -17.568 -0.806 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.857 -18.623 2.576 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.361 -20.265 2.163 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.329 -19.690 -1.341 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.629 -20.871 -0.062 1.00 0.00 H new ATOM 1048 N LYS A 66 4.565 -12.588 -1.425 1.00 0.00 N ATOM 1049 CA LYS A 66 4.995 -12.405 -2.801 1.00 0.00 C ATOM 1050 C LYS A 66 5.796 -11.107 -2.911 1.00 0.00 C ATOM 1051 O LYS A 66 6.758 -11.029 -3.674 1.00 0.00 O ATOM 1052 CB LYS A 66 3.796 -12.471 -3.750 1.00 0.00 C ATOM 1053 CG LYS A 66 4.003 -13.544 -4.822 1.00 0.00 C ATOM 1054 CD LYS A 66 3.896 -14.947 -4.220 1.00 0.00 C ATOM 1055 CE LYS A 66 2.447 -15.438 -4.231 1.00 0.00 C ATOM 1056 NZ LYS A 66 2.387 -16.883 -3.917 1.00 0.00 N ATOM 0 H LYS A 66 3.554 -12.582 -1.289 1.00 0.00 H new ATOM 0 HA LYS A 66 5.657 -13.216 -3.105 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.891 -12.688 -3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.650 -11.501 -4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.259 -13.425 -5.610 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.981 -13.417 -5.285 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.522 -15.638 -4.784 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.273 -14.938 -3.197 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.861 -14.877 -3.503 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.002 -15.253 -5.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.397 -17.200 -3.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.929 -17.415 -4.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.793 -17.051 -2.974 1.00 0.00 H new ATOM 1070 N SER A 67 5.370 -10.117 -2.139 1.00 0.00 N ATOM 1071 CA SER A 67 6.035 -8.826 -2.140 1.00 0.00 C ATOM 1072 C SER A 67 6.483 -8.466 -0.723 1.00 0.00 C ATOM 1073 O SER A 67 6.263 -7.348 -0.263 1.00 0.00 O ATOM 1074 CB SER A 67 5.120 -7.735 -2.700 1.00 0.00 C ATOM 1075 OG SER A 67 5.757 -6.461 -2.716 1.00 0.00 O ATOM 0 H SER A 67 4.571 -10.184 -1.508 1.00 0.00 H new ATOM 0 HA SER A 67 6.911 -8.894 -2.785 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.816 -8.001 -3.712 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.212 -7.679 -2.099 1.00 0.00 H new ATOM 0 HG SER A 67 6.218 -6.315 -1.864 1.00 0.00 H new ATOM 1081 N ASN A 68 7.104 -9.438 -0.068 1.00 0.00 N ATOM 1082 CA ASN A 68 7.584 -9.238 1.289 1.00 0.00 C ATOM 1083 C ASN A 68 8.824 -8.341 1.259 1.00 0.00 C ATOM 1084 O ASN A 68 8.821 -7.253 1.834 1.00 0.00 O ATOM 1085 CB ASN A 68 7.979 -10.567 1.934 1.00 0.00 C ATOM 1086 CG ASN A 68 7.168 -10.819 3.208 1.00 0.00 C ATOM 1087 OD1 ASN A 68 6.552 -9.929 3.769 1.00 0.00 O ATOM 1088 ND2 ASN A 68 7.203 -12.080 3.629 1.00 0.00 N ATOM 0 H ASN A 68 7.285 -10.365 -0.452 1.00 0.00 H new ATOM 0 HA ASN A 68 6.781 -8.780 1.867 1.00 0.00 H new ATOM 0 HB2 ASN A 68 7.816 -11.381 1.228 1.00 0.00 H new ATOM 0 HB3 ASN A 68 9.043 -10.559 2.171 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.693 -12.351 4.470 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.739 -12.776 3.111 1.00 0.00 H new ATOM 1095 N THR A 69 9.853 -8.829 0.583 1.00 0.00 N ATOM 1096 CA THR A 69 11.096 -8.086 0.471 1.00 0.00 C ATOM 1097 C THR A 69 11.130 -7.298 -0.841 1.00 0.00 C ATOM 1098 O THR A 69 12.197 -6.897 -1.301 1.00 0.00 O ATOM 1099 CB THR A 69 12.254 -9.075 0.615 1.00 0.00 C ATOM 1100 OG1 THR A 69 11.984 -9.748 1.841 1.00 0.00 O ATOM 1101 CG2 THR A 69 13.593 -8.377 0.861 1.00 0.00 C ATOM 0 H THR A 69 9.851 -9.731 0.107 1.00 0.00 H new ATOM 0 HA THR A 69 11.184 -7.343 1.263 1.00 0.00 H new ATOM 0 HB THR A 69 12.323 -9.686 -0.285 1.00 0.00 H new ATOM 0 HG1 THR A 69 12.686 -10.410 2.012 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.381 -9.124 0.956 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.818 -7.716 0.024 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.535 -7.792 1.779 1.00 0.00 H new ATOM 1109 N ARG A 70 9.948 -7.100 -1.405 1.00 0.00 N ATOM 1110 CA ARG A 70 9.828 -6.367 -2.655 1.00 0.00 C ATOM 1111 C ARG A 70 8.868 -5.188 -2.489 1.00 0.00 C ATOM 1112 O ARG A 70 8.635 -4.435 -3.433 1.00 0.00 O ATOM 1113 CB ARG A 70 9.323 -7.273 -3.778 1.00 0.00 C ATOM 1114 CG ARG A 70 10.378 -7.425 -4.876 1.00 0.00 C ATOM 1115 CD ARG A 70 10.078 -8.638 -5.760 1.00 0.00 C ATOM 1116 NE ARG A 70 9.530 -8.192 -7.061 1.00 0.00 N ATOM 1117 CZ ARG A 70 9.580 -8.919 -8.185 1.00 0.00 C ATOM 1118 NH1 ARG A 70 10.151 -10.132 -8.175 1.00 0.00 N ATOM 1119 NH2 ARG A 70 9.057 -8.435 -9.320 1.00 0.00 N ATOM 0 H ARG A 70 9.065 -7.434 -1.020 1.00 0.00 H new ATOM 0 HA ARG A 70 10.819 -5.998 -2.919 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.070 -8.253 -3.374 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.409 -6.858 -4.202 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.405 -6.523 -5.487 1.00 0.00 H new ATOM 0 HG3 ARG A 70 11.364 -7.534 -4.425 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.988 -9.217 -5.918 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.365 -9.295 -5.261 1.00 0.00 H new ATOM 0 HE ARG A 70 9.087 -7.274 -7.104 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.548 -10.502 -7.311 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.189 -10.685 -9.031 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.621 -7.513 -9.328 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.095 -8.989 -10.176 1.00 0.00 H new ATOM 1133 N ASN A 71 8.334 -5.065 -1.282 1.00 0.00 N ATOM 1134 CA ASN A 71 7.404 -3.990 -0.980 1.00 0.00 C ATOM 1135 C ASN A 71 8.089 -2.644 -1.228 1.00 0.00 C ATOM 1136 O ASN A 71 8.951 -2.533 -2.098 1.00 0.00 O ATOM 1137 CB ASN A 71 6.966 -4.035 0.485 1.00 0.00 C ATOM 1138 CG ASN A 71 5.523 -3.553 0.641 1.00 0.00 C ATOM 1139 OD1 ASN A 71 4.851 -3.203 -0.315 1.00 0.00 O ATOM 1140 ND2 ASN A 71 5.085 -3.553 1.897 1.00 0.00 N ATOM 0 H ASN A 71 8.528 -5.693 -0.502 1.00 0.00 H new ATOM 0 HA ASN A 71 6.531 -4.110 -1.621 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.056 -5.053 0.864 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.628 -3.412 1.086 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.134 -3.247 2.106 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.700 -3.859 2.651 1.00 0.00 H new ATOM 1147 N ASN A 72 7.678 -1.655 -0.448 1.00 0.00 N ATOM 1148 CA ASN A 72 8.241 -0.322 -0.571 1.00 0.00 C ATOM 1149 C ASN A 72 9.681 -0.330 -0.052 1.00 0.00 C ATOM 1150 O ASN A 72 10.021 0.429 0.855 1.00 0.00 O ATOM 1151 CB ASN A 72 7.445 0.691 0.255 1.00 0.00 C ATOM 1152 CG ASN A 72 6.026 0.851 -0.292 1.00 0.00 C ATOM 1153 OD1 ASN A 72 5.068 0.301 0.225 1.00 0.00 O ATOM 1154 ND2 ASN A 72 5.945 1.632 -1.365 1.00 0.00 N ATOM 0 H ASN A 72 6.962 -1.751 0.272 1.00 0.00 H new ATOM 0 HA ASN A 72 8.205 -0.037 -1.622 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.403 0.365 1.294 1.00 0.00 H new ATOM 0 HB3 ASN A 72 7.954 1.655 0.243 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.041 1.801 -1.806 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.787 2.062 -1.747 1.00 0.00 H new ATOM 1161 N MET A 73 10.486 -1.197 -0.648 1.00 0.00 N ATOM 1162 CA MET A 73 11.880 -1.314 -0.256 1.00 0.00 C ATOM 1163 C MET A 73 12.005 -1.788 1.194 1.00 0.00 C ATOM 1164 O MET A 73 12.378 -2.932 1.446 1.00 0.00 O ATOM 1165 CB MET A 73 12.569 0.044 -0.410 1.00 0.00 C ATOM 1166 CG MET A 73 13.930 -0.108 -1.093 1.00 0.00 C ATOM 1167 SD MET A 73 13.720 -0.782 -2.732 1.00 0.00 S ATOM 1168 CE MET A 73 14.096 -2.497 -2.411 1.00 0.00 C ATOM 0 H MET A 73 10.200 -1.825 -1.399 1.00 0.00 H new ATOM 0 HA MET A 73 12.359 -2.050 -0.902 1.00 0.00 H new ATOM 0 HB2 MET A 73 11.937 0.713 -0.995 1.00 0.00 H new ATOM 0 HB3 MET A 73 12.699 0.504 0.570 1.00 0.00 H new ATOM 0 HG2 MET A 73 14.427 0.860 -1.150 1.00 0.00 H new ATOM 0 HG3 MET A 73 14.572 -0.761 -0.502 1.00 0.00 H new ATOM 0 HE1 MET A 73 15.023 -2.767 -2.918 1.00 0.00 H new ATOM 0 HE2 MET A 73 14.211 -2.650 -1.338 1.00 0.00 H new ATOM 0 HE3 MET A 73 13.284 -3.123 -2.781 1.00 0.00 H new ATOM 1178 N ILE A 74 11.686 -0.884 2.108 1.00 0.00 N ATOM 1179 CA ILE A 74 11.757 -1.196 3.525 1.00 0.00 C ATOM 1180 C ILE A 74 10.493 -0.687 4.219 1.00 0.00 C ATOM 1181 O ILE A 74 10.019 0.411 3.928 1.00 0.00 O ATOM 1182 CB ILE A 74 13.053 -0.649 4.129 1.00 0.00 C ATOM 1183 CG1 ILE A 74 12.889 -0.380 5.626 1.00 0.00 C ATOM 1184 CG2 ILE A 74 13.528 0.593 3.373 1.00 0.00 C ATOM 1185 CD1 ILE A 74 14.149 -0.779 6.396 1.00 0.00 C ATOM 0 H ILE A 74 11.378 0.065 1.895 1.00 0.00 H new ATOM 0 HA ILE A 74 11.791 -2.275 3.676 1.00 0.00 H new ATOM 0 HB ILE A 74 13.828 -1.408 4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 74 12.679 0.677 5.788 1.00 0.00 H new ATOM 0 HG13 ILE A 74 12.034 -0.937 6.008 1.00 0.00 H new ATOM 0 HG21 ILE A 74 14.450 0.962 3.822 1.00 0.00 H new ATOM 0 HG22 ILE A 74 13.710 0.336 2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 74 12.763 1.367 3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.006 -0.577 7.458 1.00 0.00 H new ATOM 0 HD12 ILE A 74 14.343 -1.842 6.251 1.00 0.00 H new ATOM 0 HD13 ILE A 74 14.998 -0.202 6.029 1.00 0.00 H new ATOM 1197 N GLN A 75 9.980 -1.509 5.124 1.00 0.00 N ATOM 1198 CA GLN A 75 8.780 -1.157 5.862 1.00 0.00 C ATOM 1199 C GLN A 75 9.148 -0.572 7.226 1.00 0.00 C ATOM 1200 O GLN A 75 8.741 -1.098 8.261 1.00 0.00 O ATOM 1201 CB GLN A 75 7.854 -2.365 6.014 1.00 0.00 C ATOM 1202 CG GLN A 75 8.584 -3.533 6.682 1.00 0.00 C ATOM 1203 CD GLN A 75 7.606 -4.643 7.068 1.00 0.00 C ATOM 1204 OE1 GLN A 75 7.066 -4.678 8.162 1.00 0.00 O ATOM 1205 NE2 GLN A 75 7.406 -5.545 6.111 1.00 0.00 N ATOM 0 H GLN A 75 10.375 -2.419 5.362 1.00 0.00 H new ATOM 0 HA GLN A 75 8.240 -0.397 5.297 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.983 -2.088 6.608 1.00 0.00 H new ATOM 0 HB3 GLN A 75 7.487 -2.673 5.035 1.00 0.00 H new ATOM 0 HG2 GLN A 75 9.340 -3.929 6.004 1.00 0.00 H new ATOM 0 HG3 GLN A 75 9.107 -3.179 7.571 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.890 -5.457 5.218 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.768 -6.325 6.271 1.00 0.00 H new ATOM 1214 N THR A 76 9.913 0.509 7.185 1.00 0.00 N ATOM 1215 CA THR A 76 10.341 1.171 8.405 1.00 0.00 C ATOM 1216 C THR A 76 10.710 0.137 9.471 1.00 0.00 C ATOM 1217 O THR A 76 10.955 -1.026 9.154 1.00 0.00 O ATOM 1218 CB THR A 76 9.227 2.124 8.842 1.00 0.00 C ATOM 1219 OG1 THR A 76 8.089 1.279 8.998 1.00 0.00 O ATOM 1220 CG2 THR A 76 8.820 3.096 7.733 1.00 0.00 C ATOM 0 H THR A 76 10.248 0.943 6.325 1.00 0.00 H new ATOM 0 HA THR A 76 11.244 1.759 8.241 1.00 0.00 H new ATOM 0 HB THR A 76 9.553 2.687 9.717 1.00 0.00 H new ATOM 0 HG1 THR A 76 7.320 1.816 9.282 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.027 3.750 8.095 1.00 0.00 H new ATOM 0 HG22 THR A 76 9.681 3.697 7.442 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.462 2.534 6.870 1.00 0.00 H new ATOM 1228 N LYS A 77 10.737 0.600 10.713 1.00 0.00 N ATOM 1229 CA LYS A 77 11.071 -0.270 11.828 1.00 0.00 C ATOM 1230 C LYS A 77 10.305 0.184 13.071 1.00 0.00 C ATOM 1231 O LYS A 77 10.486 1.306 13.541 1.00 0.00 O ATOM 1232 CB LYS A 77 12.587 -0.328 12.026 1.00 0.00 C ATOM 1233 CG LYS A 77 13.002 -1.634 12.708 1.00 0.00 C ATOM 1234 CD LYS A 77 13.559 -1.368 14.109 1.00 0.00 C ATOM 1235 CE LYS A 77 14.809 -2.210 14.370 1.00 0.00 C ATOM 1236 NZ LYS A 77 15.922 -1.353 14.837 1.00 0.00 N ATOM 0 H LYS A 77 10.533 1.566 10.971 1.00 0.00 H new ATOM 0 HA LYS A 77 10.761 -1.294 11.619 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.087 -0.243 11.061 1.00 0.00 H new ATOM 0 HB3 LYS A 77 12.911 0.520 12.629 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.144 -2.302 12.775 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.754 -2.141 12.104 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.800 -0.310 14.214 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.799 -1.597 14.856 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.591 -2.973 15.117 1.00 0.00 H new ATOM 0 HE3 LYS A 77 15.101 -2.731 13.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 16.763 -1.940 15.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 16.140 -0.641 14.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 15.646 -0.876 15.719 1.00 0.00 H new ATOM 1250 N PRO A 78 9.442 -0.736 13.583 1.00 0.00 N ATOM 1251 CA PRO A 78 8.648 -0.441 14.763 1.00 0.00 C ATOM 1252 C PRO A 78 9.505 -0.491 16.028 1.00 0.00 C ATOM 1253 O PRO A 78 10.444 -1.281 16.115 1.00 0.00 O ATOM 1254 CB PRO A 78 7.536 -1.477 14.757 1.00 0.00 C ATOM 1255 CG PRO A 78 8.012 -2.594 13.843 1.00 0.00 C ATOM 1256 CD PRO A 78 9.202 -2.074 13.052 1.00 0.00 C ATOM 0 HA PRO A 78 8.235 0.568 14.751 1.00 0.00 H new ATOM 0 HB2 PRO A 78 7.345 -1.850 15.763 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.603 -1.046 14.394 1.00 0.00 H new ATOM 0 HG2 PRO A 78 8.295 -3.470 14.426 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.212 -2.904 13.170 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.074 -2.714 13.182 1.00 0.00 H new ATOM 0 HD3 PRO A 78 8.985 -2.044 11.984 1.00 0.00 H new ATOM 1264 N THR A 79 9.153 0.362 16.979 1.00 0.00 N ATOM 1265 CA THR A 79 9.879 0.424 18.236 1.00 0.00 C ATOM 1266 C THR A 79 9.533 -0.781 19.112 1.00 0.00 C ATOM 1267 O THR A 79 8.965 -1.761 18.630 1.00 0.00 O ATOM 1268 CB THR A 79 9.563 1.768 18.897 1.00 0.00 C ATOM 1269 OG1 THR A 79 10.335 1.754 20.095 1.00 0.00 O ATOM 1270 CG2 THR A 79 8.116 1.853 19.388 1.00 0.00 C ATOM 0 H THR A 79 8.374 1.016 16.904 1.00 0.00 H new ATOM 0 HA THR A 79 10.956 0.369 18.075 1.00 0.00 H new ATOM 0 HB THR A 79 9.754 2.575 18.190 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.192 2.590 20.586 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.945 2.826 19.848 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.437 1.726 18.544 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.934 1.067 20.121 1.00 0.00 H new ATOM 1278 N GLY A 80 9.889 -0.669 20.383 1.00 0.00 N ATOM 1279 CA GLY A 80 9.623 -1.738 21.331 1.00 0.00 C ATOM 1280 C GLY A 80 9.136 -1.176 22.668 1.00 0.00 C ATOM 1281 O GLY A 80 8.068 -0.570 22.739 1.00 0.00 O ATOM 0 H GLY A 80 10.359 0.145 20.779 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.872 -2.414 20.921 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.529 -2.324 21.487 1.00 0.00 H new ATOM 1285 N THR A 81 9.941 -1.399 23.696 1.00 0.00 N ATOM 1286 CA THR A 81 9.606 -0.922 25.027 1.00 0.00 C ATOM 1287 C THR A 81 10.856 -0.401 25.738 1.00 0.00 C ATOM 1288 O THR A 81 11.959 -0.475 25.197 1.00 0.00 O ATOM 1289 CB THR A 81 8.911 -2.062 25.776 1.00 0.00 C ATOM 1290 OG1 THR A 81 7.865 -2.467 24.898 1.00 0.00 O ATOM 1291 CG2 THR A 81 8.180 -1.578 27.029 1.00 0.00 C ATOM 0 H THR A 81 10.825 -1.904 23.634 1.00 0.00 H new ATOM 0 HA THR A 81 8.920 -0.076 24.983 1.00 0.00 H new ATOM 0 HB THR A 81 9.647 -2.816 26.054 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.364 -3.204 25.305 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.704 -2.425 27.523 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.894 -1.115 27.710 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.420 -0.849 26.748 1.00 0.00 H new ATOM 1299 N GLN A 82 10.644 0.113 26.940 1.00 0.00 N ATOM 1300 CA GLN A 82 11.740 0.647 27.732 1.00 0.00 C ATOM 1301 C GLN A 82 11.638 0.157 29.177 1.00 0.00 C ATOM 1302 O GLN A 82 10.552 0.134 29.754 1.00 0.00 O ATOM 1303 CB GLN A 82 11.766 2.175 27.670 1.00 0.00 C ATOM 1304 CG GLN A 82 13.151 2.684 27.261 1.00 0.00 C ATOM 1305 CD GLN A 82 13.147 4.203 27.087 1.00 0.00 C ATOM 1306 OE1 GLN A 82 12.117 4.831 26.900 1.00 0.00 O ATOM 1307 NE2 GLN A 82 14.353 4.759 27.158 1.00 0.00 N ATOM 0 H GLN A 82 9.728 0.171 27.386 1.00 0.00 H new ATOM 0 HA GLN A 82 12.678 0.284 27.312 1.00 0.00 H new ATOM 0 HB2 GLN A 82 11.020 2.526 26.957 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.496 2.587 28.642 1.00 0.00 H new ATOM 0 HG2 GLN A 82 13.884 2.403 28.018 1.00 0.00 H new ATOM 0 HG3 GLN A 82 13.457 2.208 26.329 1.00 0.00 H new ATOM 0 HE21 GLN A 82 15.175 4.176 27.317 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.456 5.768 27.054 1.00 0.00 H new ATOM 1316 N GLN A 83 12.784 -0.222 29.722 1.00 0.00 N ATOM 1317 CA GLN A 83 12.838 -0.710 31.090 1.00 0.00 C ATOM 1318 C GLN A 83 13.658 0.244 31.961 1.00 0.00 C ATOM 1319 O GLN A 83 14.410 1.070 31.446 1.00 0.00 O ATOM 1320 CB GLN A 83 13.408 -2.128 31.144 1.00 0.00 C ATOM 1321 CG GLN A 83 12.685 -2.969 32.199 1.00 0.00 C ATOM 1322 CD GLN A 83 11.687 -3.928 31.546 1.00 0.00 C ATOM 1323 OE1 GLN A 83 11.927 -4.488 30.489 1.00 0.00 O ATOM 1324 NE2 GLN A 83 10.559 -4.085 32.232 1.00 0.00 N ATOM 0 H GLN A 83 13.683 -0.201 29.241 1.00 0.00 H new ATOM 0 HA GLN A 83 11.822 -0.747 31.483 1.00 0.00 H new ATOM 0 HB2 GLN A 83 13.310 -2.601 30.167 1.00 0.00 H new ATOM 0 HB3 GLN A 83 14.473 -2.087 31.373 1.00 0.00 H new ATOM 0 HG2 GLN A 83 13.413 -3.536 32.779 1.00 0.00 H new ATOM 0 HG3 GLN A 83 12.163 -2.314 32.896 1.00 0.00 H new ATOM 0 HE21 GLN A 83 10.423 -3.585 33.111 1.00 0.00 H new ATOM 0 HE22 GLN A 83 9.830 -4.705 31.879 1.00 0.00 H new ATOM 1333 N SER A 84 13.484 0.099 33.267 1.00 0.00 N ATOM 1334 CA SER A 84 14.199 0.937 34.214 1.00 0.00 C ATOM 1335 C SER A 84 14.330 0.214 35.557 1.00 0.00 C ATOM 1336 O SER A 84 13.720 -0.833 35.765 1.00 0.00 O ATOM 1337 CB SER A 84 13.492 2.280 34.403 1.00 0.00 C ATOM 1338 OG SER A 84 14.245 3.361 33.860 1.00 0.00 O ATOM 0 H SER A 84 12.858 -0.586 33.691 1.00 0.00 H new ATOM 0 HA SER A 84 15.194 1.133 33.814 1.00 0.00 H new ATOM 0 HB2 SER A 84 12.513 2.244 33.926 1.00 0.00 H new ATOM 0 HB3 SER A 84 13.322 2.454 35.466 1.00 0.00 H new ATOM 0 HG SER A 84 13.759 4.201 33.999 1.00 0.00 H new ATOM 1344 N THR A 85 15.133 0.801 36.433 1.00 0.00 N ATOM 1345 CA THR A 85 15.353 0.227 37.749 1.00 0.00 C ATOM 1346 C THR A 85 15.392 1.326 38.812 1.00 0.00 C ATOM 1347 O THR A 85 15.296 2.510 38.489 1.00 0.00 O ATOM 1348 CB THR A 85 16.633 -0.609 37.691 1.00 0.00 C ATOM 1349 OG1 THR A 85 16.895 -0.938 39.053 1.00 0.00 O ATOM 1350 CG2 THR A 85 17.851 0.215 37.267 1.00 0.00 C ATOM 0 H THR A 85 15.639 1.669 36.256 1.00 0.00 H new ATOM 0 HA THR A 85 14.531 -0.429 38.037 1.00 0.00 H new ATOM 0 HB THR A 85 16.494 -1.437 36.996 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.708 -1.482 39.108 1.00 0.00 H new ATOM 0 HG21 THR A 85 18.733 -0.425 37.242 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.679 0.635 36.276 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.010 1.023 37.981 1.00 0.00 H new ATOM 1358 N ASN A 86 15.534 0.897 40.057 1.00 0.00 N ATOM 1359 CA ASN A 86 15.587 1.830 41.169 1.00 0.00 C ATOM 1360 C ASN A 86 16.220 1.139 42.378 1.00 0.00 C ATOM 1361 O ASN A 86 16.311 -0.086 42.421 1.00 0.00 O ATOM 1362 CB ASN A 86 14.184 2.291 41.568 1.00 0.00 C ATOM 1363 CG ASN A 86 14.161 3.794 41.852 1.00 0.00 C ATOM 1364 OD1 ASN A 86 15.179 4.467 41.859 1.00 0.00 O ATOM 1365 ND2 ASN A 86 12.946 4.282 42.087 1.00 0.00 N ATOM 0 H ASN A 86 15.614 -0.085 40.320 1.00 0.00 H new ATOM 0 HA ASN A 86 16.175 2.693 40.858 1.00 0.00 H new ATOM 0 HB2 ASN A 86 13.480 2.057 40.770 1.00 0.00 H new ATOM 0 HB3 ASN A 86 13.856 1.745 42.452 1.00 0.00 H new ATOM 0 HD21 ASN A 86 12.825 5.275 42.288 1.00 0.00 H new ATOM 0 HD22 ASN A 86 12.135 3.664 42.066 1.00 0.00 H new ATOM 1372 N THR A 87 16.640 1.956 43.333 1.00 0.00 N ATOM 1373 CA THR A 87 17.261 1.440 44.541 1.00 0.00 C ATOM 1374 C THR A 87 16.910 2.321 45.741 1.00 0.00 C ATOM 1375 O THR A 87 16.239 3.341 45.591 1.00 0.00 O ATOM 1376 CB THR A 87 18.767 1.329 44.287 1.00 0.00 C ATOM 1377 OG1 THR A 87 19.174 2.668 44.025 1.00 0.00 O ATOM 1378 CG2 THR A 87 19.089 0.580 42.993 1.00 0.00 C ATOM 0 H THR A 87 16.562 2.972 43.294 1.00 0.00 H new ATOM 0 HA THR A 87 16.883 0.447 44.787 1.00 0.00 H new ATOM 0 HB THR A 87 19.240 0.821 45.127 1.00 0.00 H new ATOM 0 HG1 THR A 87 20.138 2.689 43.851 1.00 0.00 H new ATOM 0 HG21 THR A 87 20.170 0.530 42.861 1.00 0.00 H new ATOM 0 HG22 THR A 87 18.683 -0.430 43.046 1.00 0.00 H new ATOM 0 HG23 THR A 87 18.644 1.106 42.148 1.00 0.00 H new ATOM 1386 N ALA A 88 17.381 1.896 46.904 1.00 0.00 N ATOM 1387 CA ALA A 88 17.124 2.635 48.129 1.00 0.00 C ATOM 1388 C ALA A 88 17.944 2.025 49.268 1.00 0.00 C ATOM 1389 O ALA A 88 17.650 0.923 49.729 1.00 0.00 O ATOM 1390 CB ALA A 88 15.623 2.629 48.424 1.00 0.00 C ATOM 0 H ALA A 88 17.939 1.050 47.024 1.00 0.00 H new ATOM 0 HA ALA A 88 17.431 3.675 48.021 1.00 0.00 H new ATOM 0 HB1 ALA A 88 15.431 3.183 49.343 1.00 0.00 H new ATOM 0 HB2 ALA A 88 15.088 3.098 47.598 1.00 0.00 H new ATOM 0 HB3 ALA A 88 15.279 1.601 48.542 1.00 0.00 H new ATOM 1396 N VAL A 89 18.957 2.768 49.689 1.00 0.00 N ATOM 1397 CA VAL A 89 19.822 2.314 50.765 1.00 0.00 C ATOM 1398 C VAL A 89 20.571 3.513 51.352 1.00 0.00 C ATOM 1399 O VAL A 89 21.326 4.181 50.648 1.00 0.00 O ATOM 1400 CB VAL A 89 20.758 1.216 50.256 1.00 0.00 C ATOM 1401 CG1 VAL A 89 21.817 1.790 49.314 1.00 0.00 C ATOM 1402 CG2 VAL A 89 21.409 0.468 51.421 1.00 0.00 C ATOM 0 H VAL A 89 19.198 3.681 49.304 1.00 0.00 H new ATOM 0 HA VAL A 89 19.232 1.873 51.569 1.00 0.00 H new ATOM 0 HB VAL A 89 20.159 0.502 49.691 1.00 0.00 H new ATOM 0 HG11 VAL A 89 22.469 0.988 48.967 1.00 0.00 H new ATOM 0 HG12 VAL A 89 21.329 2.256 48.458 1.00 0.00 H new ATOM 0 HG13 VAL A 89 22.410 2.536 49.844 1.00 0.00 H new ATOM 0 HG21 VAL A 89 22.069 -0.307 51.032 1.00 0.00 H new ATOM 0 HG22 VAL A 89 21.987 1.168 52.025 1.00 0.00 H new ATOM 0 HG23 VAL A 89 20.635 0.010 52.037 1.00 0.00 H new ATOM 1412 N THR A 90 20.335 3.748 52.634 1.00 0.00 N ATOM 1413 CA THR A 90 20.977 4.854 53.322 1.00 0.00 C ATOM 1414 C THR A 90 22.116 4.342 54.207 1.00 0.00 C ATOM 1415 O THR A 90 22.087 3.200 54.665 1.00 0.00 O ATOM 1416 CB THR A 90 19.902 5.616 54.099 1.00 0.00 C ATOM 1417 OG1 THR A 90 19.101 6.216 53.084 1.00 0.00 O ATOM 1418 CG2 THR A 90 20.472 6.805 54.875 1.00 0.00 C ATOM 0 H THR A 90 19.708 3.191 53.214 1.00 0.00 H new ATOM 0 HA THR A 90 21.439 5.544 52.616 1.00 0.00 H new ATOM 0 HB THR A 90 19.404 4.937 54.791 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.377 6.729 53.499 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.667 7.311 55.408 1.00 0.00 H new ATOM 0 HG22 THR A 90 21.215 6.451 55.590 1.00 0.00 H new ATOM 0 HG23 THR A 90 20.941 7.502 54.180 1.00 0.00 H new ATOM 1426 N LEU A 91 23.093 5.211 54.420 1.00 0.00 N ATOM 1427 CA LEU A 91 24.239 4.861 55.242 1.00 0.00 C ATOM 1428 C LEU A 91 23.762 4.103 56.481 1.00 0.00 C ATOM 1429 O LEU A 91 22.583 4.157 56.830 1.00 0.00 O ATOM 1430 CB LEU A 91 25.067 6.107 55.565 1.00 0.00 C ATOM 1431 CG LEU A 91 24.710 6.832 56.864 1.00 0.00 C ATOM 1432 CD1 LEU A 91 25.894 7.653 57.377 1.00 0.00 C ATOM 1433 CD2 LEU A 91 23.453 7.686 56.687 1.00 0.00 C ATOM 0 H LEU A 91 23.115 6.156 54.038 1.00 0.00 H new ATOM 0 HA LEU A 91 24.907 4.193 54.698 1.00 0.00 H new ATOM 0 HB2 LEU A 91 26.117 5.819 55.610 1.00 0.00 H new ATOM 0 HB3 LEU A 91 24.964 6.811 54.739 1.00 0.00 H new ATOM 0 HG LEU A 91 24.486 6.083 57.623 1.00 0.00 H new ATOM 0 HD11 LEU A 91 25.613 8.158 58.301 1.00 0.00 H new ATOM 0 HD12 LEU A 91 26.740 6.992 57.567 1.00 0.00 H new ATOM 0 HD13 LEU A 91 26.174 8.395 56.629 1.00 0.00 H new ATOM 0 HD21 LEU A 91 23.221 8.191 57.625 1.00 0.00 H new ATOM 0 HD22 LEU A 91 23.625 8.429 55.908 1.00 0.00 H new ATOM 0 HD23 LEU A 91 22.617 7.048 56.402 1.00 0.00 H new ATOM 1445 N THR A 92 24.700 3.414 57.113 1.00 0.00 N ATOM 1446 CA THR A 92 24.390 2.645 58.306 1.00 0.00 C ATOM 1447 C THR A 92 24.914 3.360 59.553 1.00 0.00 C ATOM 1448 O THR A 92 25.642 4.346 59.447 1.00 0.00 O ATOM 1449 CB THR A 92 24.964 1.238 58.125 1.00 0.00 C ATOM 1450 OG1 THR A 92 26.375 1.433 58.154 1.00 0.00 O ATOM 1451 CG2 THR A 92 24.695 0.671 56.730 1.00 0.00 C ATOM 0 H THR A 92 25.676 3.372 56.821 1.00 0.00 H new ATOM 0 HA THR A 92 23.313 2.556 58.450 1.00 0.00 H new ATOM 0 HB THR A 92 24.537 0.573 58.876 1.00 0.00 H new ATOM 0 HG1 THR A 92 26.827 0.570 58.045 1.00 0.00 H new ATOM 0 HG21 THR A 92 25.123 -0.329 56.655 1.00 0.00 H new ATOM 0 HG22 THR A 92 23.620 0.619 56.559 1.00 0.00 H new ATOM 0 HG23 THR A 92 25.150 1.318 55.980 1.00 0.00 H new ATOM 1459 N GLY A 93 24.523 2.836 60.705 1.00 0.00 N ATOM 1460 CA GLY A 93 24.945 3.411 61.971 1.00 0.00 C ATOM 1461 C GLY A 93 23.737 3.788 62.831 1.00 0.00 C ATOM 1462 O GLY A 93 23.328 4.947 62.860 1.00 0.00 O ATOM 0 H GLY A 93 23.918 2.019 60.788 1.00 0.00 H new ATOM 0 HA2 GLY A 93 25.570 2.698 62.508 1.00 0.00 H new ATOM 0 HA3 GLY A 93 25.556 4.295 61.788 1.00 0.00 H new TER 1466 GLY A 93