USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 475 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 36 LYS NZ :NH3+ 180:sc= 0.777 (180deg=-0.41) USER MOD Set 1.2: A 62 GLN : amide:sc= 3.02 K(o=3.8,f=-12!) USER MOD Single : A 1 GLY N :NH3+ -167:sc= 1.2 (180deg=1.08) USER MOD Single : A 3 MET CE :methyl 159:sc= -0.132 (180deg=-0.676) USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= -0.0253 (180deg=-0.214) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -160:sc= -2.12! USER MOD Single : A 11 THR OG1 : rot 24:sc= 1.26 USER MOD Single : A 15 TYR OH : rot -123:sc= 0.572 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -40:sc= 0.141 USER MOD Single : A 19 ASN : amide:sc= 0.0749 K(o=0.075,f=-3.1!) USER MOD Single : A 24 THR OG1 : rot -133:sc= 0.958 USER MOD Single : A 32 HIS : no HD1:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.327 USER MOD Single : A 38 THR OG1 : rot -112:sc= 1.23 USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.18) USER MOD Single : A 49 ASN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00709) USER MOD Single : A 58 ASN : amide:sc= -0.157 K(o=-0.16,f=-0.84) USER MOD Single : A 64 SER OG : rot -4:sc= 0.892 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.199 -9.995 1.750 1.00 0.00 N ATOM 2 CA GLY A 1 -14.122 -8.885 1.968 1.00 0.00 C ATOM 3 C GLY A 1 -13.492 -7.537 1.698 1.00 0.00 C ATOM 4 O GLY A 1 -14.058 -6.710 0.980 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.730 -10.889 1.732 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.709 -9.866 0.842 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.500 -10.022 2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.992 -9.010 1.323 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.481 -8.914 2.997 1.00 0.00 H new ATOM 10 N ALA A 2 -12.312 -7.312 2.235 1.00 0.00 N ATOM 11 CA ALA A 2 -11.658 -6.039 2.086 1.00 0.00 C ATOM 12 C ALA A 2 -10.794 -5.992 0.826 1.00 0.00 C ATOM 13 O ALA A 2 -9.568 -6.232 0.862 1.00 0.00 O ATOM 14 CB ALA A 2 -10.867 -5.683 3.329 1.00 0.00 C ATOM 0 H ALA A 2 -11.789 -7.998 2.779 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.432 -5.281 1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.383 -4.716 3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.539 -5.631 4.186 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.109 -6.445 3.508 1.00 0.00 H new ATOM 20 N MET A 3 -11.454 -5.749 -0.277 1.00 0.00 N ATOM 21 CA MET A 3 -10.843 -5.616 -1.584 1.00 0.00 C ATOM 22 C MET A 3 -11.695 -4.663 -2.390 1.00 0.00 C ATOM 23 O MET A 3 -12.928 -4.781 -2.380 1.00 0.00 O ATOM 24 CB MET A 3 -10.795 -6.973 -2.299 1.00 0.00 C ATOM 25 CG MET A 3 -10.225 -6.908 -3.715 1.00 0.00 C ATOM 26 SD MET A 3 -10.304 -8.481 -4.592 1.00 0.00 S ATOM 27 CE MET A 3 -12.080 -8.760 -4.660 1.00 0.00 C ATOM 0 H MET A 3 -12.467 -5.633 -0.296 1.00 0.00 H new ATOM 0 HA MET A 3 -9.823 -5.247 -1.480 1.00 0.00 H new ATOM 0 HB2 MET A 3 -10.194 -7.663 -1.707 1.00 0.00 H new ATOM 0 HB3 MET A 3 -11.803 -7.385 -2.342 1.00 0.00 H new ATOM 0 HG2 MET A 3 -10.771 -6.155 -4.284 1.00 0.00 H new ATOM 0 HG3 MET A 3 -9.187 -6.580 -3.666 1.00 0.00 H new ATOM 0 HE1 MET A 3 -12.308 -9.461 -5.463 1.00 0.00 H new ATOM 0 HE2 MET A 3 -12.420 -9.174 -3.711 1.00 0.00 H new ATOM 0 HE3 MET A 3 -12.590 -7.815 -4.847 1.00 0.00 H new ATOM 37 N GLY A 4 -11.080 -3.741 -3.064 1.00 0.00 N ATOM 38 CA GLY A 4 -11.822 -2.790 -3.840 1.00 0.00 C ATOM 39 C GLY A 4 -10.945 -2.141 -4.860 1.00 0.00 C ATOM 40 O GLY A 4 -9.860 -2.653 -5.159 1.00 0.00 O ATOM 0 H GLY A 4 -10.067 -3.625 -3.094 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.656 -3.288 -4.334 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.248 -2.031 -3.184 1.00 0.00 H new ATOM 44 N ALA A 5 -11.404 -1.062 -5.416 1.00 0.00 N ATOM 45 CA ALA A 5 -10.630 -0.318 -6.378 1.00 0.00 C ATOM 46 C ALA A 5 -10.529 1.129 -5.962 1.00 0.00 C ATOM 47 O ALA A 5 -9.511 1.786 -6.178 1.00 0.00 O ATOM 48 CB ALA A 5 -11.233 -0.445 -7.760 1.00 0.00 C ATOM 0 H ALA A 5 -12.324 -0.668 -5.220 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.623 -0.734 -6.412 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -10.634 0.124 -8.472 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -11.248 -1.494 -8.055 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -12.251 -0.056 -7.750 1.00 0.00 H new ATOM 54 N LYS A 6 -11.581 1.624 -5.365 1.00 0.00 N ATOM 55 CA LYS A 6 -11.602 2.973 -4.891 1.00 0.00 C ATOM 56 C LYS A 6 -11.294 3.017 -3.407 1.00 0.00 C ATOM 57 O LYS A 6 -12.193 3.070 -2.562 1.00 0.00 O ATOM 58 CB LYS A 6 -12.922 3.693 -5.217 1.00 0.00 C ATOM 59 CG LYS A 6 -12.950 5.155 -4.757 1.00 0.00 C ATOM 60 CD LYS A 6 -14.241 5.862 -5.138 1.00 0.00 C ATOM 61 CE LYS A 6 -14.382 6.057 -6.644 1.00 0.00 C ATOM 62 NZ LYS A 6 -13.314 6.906 -7.203 1.00 0.00 N ATOM 0 H LYS A 6 -12.441 1.102 -5.197 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.821 3.517 -5.422 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.091 3.656 -6.293 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -13.746 3.156 -4.746 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.824 5.194 -3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.106 5.687 -5.196 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -15.089 5.285 -4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.278 6.833 -4.645 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.365 5.085 -7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -15.351 6.507 -6.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.575 7.204 -8.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.188 7.746 -6.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.425 6.368 -7.237 1.00 0.00 H new ATOM 76 N GLU A 7 -10.039 2.840 -3.117 1.00 0.00 N ATOM 77 CA GLU A 7 -9.485 2.991 -1.799 1.00 0.00 C ATOM 78 C GLU A 7 -8.087 3.517 -1.986 1.00 0.00 C ATOM 79 O GLU A 7 -7.240 2.834 -2.562 1.00 0.00 O ATOM 80 CB GLU A 7 -9.427 1.669 -0.983 1.00 0.00 C ATOM 81 CG GLU A 7 -10.769 1.019 -0.669 1.00 0.00 C ATOM 82 CD GLU A 7 -10.710 0.122 0.551 1.00 0.00 C ATOM 83 OE1 GLU A 7 -10.171 -1.003 0.487 1.00 0.00 O ATOM 84 OE2 GLU A 7 -11.220 0.539 1.634 1.00 0.00 O ATOM 0 H GLU A 7 -9.345 2.577 -3.816 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.127 3.661 -1.228 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.818 0.952 -1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.913 1.868 -0.043 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.516 1.796 -0.508 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.096 0.435 -1.529 1.00 0.00 H new ATOM 91 N TYR A 8 -7.846 4.729 -1.597 1.00 0.00 N ATOM 92 CA TYR A 8 -6.527 5.276 -1.747 1.00 0.00 C ATOM 93 C TYR A 8 -5.901 5.449 -0.403 1.00 0.00 C ATOM 94 O TYR A 8 -6.538 5.950 0.533 1.00 0.00 O ATOM 95 CB TYR A 8 -6.531 6.610 -2.509 1.00 0.00 C ATOM 96 CG TYR A 8 -7.117 6.535 -3.915 1.00 0.00 C ATOM 97 CD1 TYR A 8 -8.491 6.537 -4.122 1.00 0.00 C ATOM 98 CD2 TYR A 8 -6.289 6.466 -5.028 1.00 0.00 C ATOM 99 CE1 TYR A 8 -9.021 6.471 -5.393 1.00 0.00 C ATOM 100 CE2 TYR A 8 -6.816 6.401 -6.306 1.00 0.00 C ATOM 101 CZ TYR A 8 -8.183 6.403 -6.482 1.00 0.00 C ATOM 102 OH TYR A 8 -8.718 6.341 -7.759 1.00 0.00 O ATOM 0 H TYR A 8 -8.533 5.355 -1.178 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.942 4.573 -2.340 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.097 7.341 -1.932 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.507 6.979 -2.575 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.155 6.591 -3.272 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -5.217 6.463 -4.894 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.092 6.473 -5.534 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -6.159 6.349 -7.162 1.00 0.00 H new ATOM 0 HH TYR A 8 -7.992 6.299 -8.416 1.00 0.00 H new ATOM 112 N CYS A 9 -4.688 5.047 -0.287 1.00 0.00 N ATOM 113 CA CYS A 9 -3.987 5.165 0.940 1.00 0.00 C ATOM 114 C CYS A 9 -2.760 6.021 0.759 1.00 0.00 C ATOM 115 O CYS A 9 -2.156 6.046 -0.306 1.00 0.00 O ATOM 116 CB CYS A 9 -3.659 3.779 1.525 1.00 0.00 C ATOM 117 SG CYS A 9 -2.808 2.660 0.389 1.00 0.00 S ATOM 0 H CYS A 9 -4.150 4.625 -1.044 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.627 5.664 1.667 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.041 3.912 2.413 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.587 3.308 1.850 1.00 0.00 H new ATOM 0 HG CYS A 9 -2.952 1.434 0.798 1.00 0.00 H new ATOM 123 N ARG A 10 -2.432 6.744 1.771 1.00 0.00 N ATOM 124 CA ARG A 10 -1.332 7.635 1.754 1.00 0.00 C ATOM 125 C ARG A 10 -0.210 7.046 2.569 1.00 0.00 C ATOM 126 O ARG A 10 -0.437 6.507 3.651 1.00 0.00 O ATOM 127 CB ARG A 10 -1.761 8.996 2.304 1.00 0.00 C ATOM 128 CG ARG A 10 -0.654 10.019 2.349 1.00 0.00 C ATOM 129 CD ARG A 10 -1.169 11.371 2.775 1.00 0.00 C ATOM 130 NE ARG A 10 -0.073 12.320 2.888 1.00 0.00 N ATOM 131 CZ ARG A 10 0.061 13.446 2.186 1.00 0.00 C ATOM 132 NH1 ARG A 10 -0.884 13.834 1.318 1.00 0.00 N ATOM 133 NH2 ARG A 10 1.142 14.186 2.361 1.00 0.00 N ATOM 0 H ARG A 10 -2.937 6.730 2.657 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.982 7.781 0.732 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.574 9.384 1.691 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.157 8.861 3.310 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.120 9.689 3.041 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.190 10.098 1.366 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.899 11.734 2.051 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.684 11.286 3.732 1.00 0.00 H new ATOM 0 HE ARG A 10 0.659 12.105 3.565 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.721 13.265 1.187 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.767 14.698 0.789 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.859 13.893 3.025 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.260 15.050 1.832 1.00 0.00 H new ATOM 147 N THR A 11 0.962 7.108 2.029 1.00 0.00 N ATOM 148 CA THR A 11 2.162 6.606 2.654 1.00 0.00 C ATOM 149 C THR A 11 2.496 7.430 3.894 1.00 0.00 C ATOM 150 O THR A 11 2.346 8.662 3.866 1.00 0.00 O ATOM 151 CB THR A 11 3.288 6.796 1.667 1.00 0.00 C ATOM 152 OG1 THR A 11 3.280 8.185 1.294 1.00 0.00 O ATOM 153 CG2 THR A 11 3.067 5.953 0.430 1.00 0.00 C ATOM 0 H THR A 11 1.126 7.521 1.111 1.00 0.00 H new ATOM 0 HA THR A 11 2.025 5.562 2.936 1.00 0.00 H new ATOM 0 HB THR A 11 4.236 6.497 2.114 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.847 8.711 1.999 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.891 6.106 -0.267 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.020 4.901 0.710 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.130 6.244 -0.046 1.00 0.00 H new ATOM 161 N LEU A 12 2.937 6.797 4.952 1.00 0.00 N ATOM 162 CA LEU A 12 3.330 7.551 6.123 1.00 0.00 C ATOM 163 C LEU A 12 4.836 7.561 6.276 1.00 0.00 C ATOM 164 O LEU A 12 5.389 8.454 6.906 1.00 0.00 O ATOM 165 CB LEU A 12 2.730 6.925 7.380 1.00 0.00 C ATOM 166 CG LEU A 12 1.218 6.898 7.477 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.796 6.137 8.719 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.667 8.312 7.512 1.00 0.00 C ATOM 0 H LEU A 12 3.033 5.785 5.031 1.00 0.00 H new ATOM 0 HA LEU A 12 2.966 8.570 5.996 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.093 5.900 7.455 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.116 7.464 8.245 1.00 0.00 H new ATOM 0 HG LEU A 12 0.816 6.393 6.599 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.292 6.121 8.784 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.172 5.115 8.665 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.205 6.627 9.603 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.420 8.277 7.582 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.069 8.838 8.378 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.956 8.838 6.602 1.00 0.00 H new ATOM 180 N PHE A 13 5.502 6.615 5.648 1.00 0.00 N ATOM 181 CA PHE A 13 6.950 6.479 5.768 1.00 0.00 C ATOM 182 C PHE A 13 7.450 5.815 4.515 1.00 0.00 C ATOM 183 O PHE A 13 6.694 5.078 3.879 1.00 0.00 O ATOM 184 CB PHE A 13 7.343 5.561 6.967 1.00 0.00 C ATOM 185 CG PHE A 13 6.744 5.929 8.297 1.00 0.00 C ATOM 186 CD1 PHE A 13 7.298 6.926 9.074 1.00 0.00 C ATOM 187 CD2 PHE A 13 5.612 5.276 8.756 1.00 0.00 C ATOM 188 CE1 PHE A 13 6.731 7.268 10.286 1.00 0.00 C ATOM 189 CE2 PHE A 13 5.045 5.611 9.961 1.00 0.00 C ATOM 190 CZ PHE A 13 5.603 6.609 10.725 1.00 0.00 C ATOM 0 H PHE A 13 5.065 5.920 5.043 1.00 0.00 H new ATOM 0 HA PHE A 13 7.381 7.468 5.923 1.00 0.00 H new ATOM 0 HB2 PHE A 13 7.050 4.538 6.728 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.429 5.567 7.064 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.182 7.443 8.731 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.169 4.493 8.158 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.170 8.050 10.888 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.163 5.092 10.308 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.156 6.877 11.671 1.00 0.00 H new ATOM 200 N PRO A 14 8.695 6.068 4.119 1.00 0.00 N ATOM 201 CA PRO A 14 9.284 5.386 2.991 1.00 0.00 C ATOM 202 C PRO A 14 9.696 3.952 3.359 1.00 0.00 C ATOM 203 O PRO A 14 10.629 3.720 4.149 1.00 0.00 O ATOM 204 CB PRO A 14 10.503 6.229 2.636 1.00 0.00 C ATOM 205 CG PRO A 14 10.882 6.920 3.906 1.00 0.00 C ATOM 206 CD PRO A 14 9.617 7.065 4.715 1.00 0.00 C ATOM 0 HA PRO A 14 8.587 5.288 2.159 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.319 5.607 2.267 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.270 6.948 1.850 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.627 6.343 4.453 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.323 7.895 3.699 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.794 6.864 5.772 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.212 8.075 4.646 1.00 0.00 H new ATOM 214 N TYR A 15 9.003 3.013 2.812 1.00 0.00 N ATOM 215 CA TYR A 15 9.264 1.629 3.068 1.00 0.00 C ATOM 216 C TYR A 15 9.856 1.005 1.832 1.00 0.00 C ATOM 217 O TYR A 15 9.341 1.186 0.726 1.00 0.00 O ATOM 218 CB TYR A 15 7.991 0.880 3.502 1.00 0.00 C ATOM 219 CG TYR A 15 8.216 -0.602 3.733 1.00 0.00 C ATOM 220 CD1 TYR A 15 8.889 -1.047 4.858 1.00 0.00 C ATOM 221 CD2 TYR A 15 7.790 -1.549 2.808 1.00 0.00 C ATOM 222 CE1 TYR A 15 9.129 -2.388 5.063 1.00 0.00 C ATOM 223 CE2 TYR A 15 8.032 -2.893 3.004 1.00 0.00 C ATOM 224 CZ TYR A 15 8.702 -3.307 4.135 1.00 0.00 C ATOM 225 OH TYR A 15 8.951 -4.649 4.337 1.00 0.00 O ATOM 0 H TYR A 15 8.231 3.181 2.167 1.00 0.00 H new ATOM 0 HA TYR A 15 9.972 1.553 3.893 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.608 1.329 4.418 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.224 1.009 2.739 1.00 0.00 H new ATOM 0 HD1 TYR A 15 9.232 -0.329 5.589 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.262 -1.227 1.923 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.651 -2.716 5.950 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.698 -3.617 2.275 1.00 0.00 H new ATOM 0 HH TYR A 15 9.449 -5.008 3.573 1.00 0.00 H new ATOM 235 N THR A 16 10.926 0.294 2.006 1.00 0.00 N ATOM 236 CA THR A 16 11.581 -0.324 0.906 1.00 0.00 C ATOM 237 C THR A 16 11.406 -1.821 0.993 1.00 0.00 C ATOM 238 O THR A 16 11.620 -2.413 2.052 1.00 0.00 O ATOM 239 CB THR A 16 13.069 0.048 0.900 1.00 0.00 C ATOM 240 OG1 THR A 16 13.167 1.474 1.006 1.00 0.00 O ATOM 241 CG2 THR A 16 13.743 -0.402 -0.390 1.00 0.00 C ATOM 0 H THR A 16 11.365 0.129 2.912 1.00 0.00 H new ATOM 0 HA THR A 16 11.138 0.030 -0.025 1.00 0.00 H new ATOM 0 HB THR A 16 13.567 -0.447 1.734 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.111 1.738 1.006 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.797 -0.125 -0.366 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.655 -1.484 -0.488 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.260 0.080 -1.240 1.00 0.00 H new ATOM 249 N GLY A 17 10.977 -2.412 -0.086 1.00 0.00 N ATOM 250 CA GLY A 17 10.824 -3.827 -0.124 1.00 0.00 C ATOM 251 C GLY A 17 12.167 -4.485 -0.256 1.00 0.00 C ATOM 252 O GLY A 17 13.087 -3.903 -0.845 1.00 0.00 O ATOM 0 H GLY A 17 10.728 -1.929 -0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.328 -4.172 0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.187 -4.110 -0.962 1.00 0.00 H new ATOM 256 N THR A 18 12.303 -5.671 0.268 1.00 0.00 N ATOM 257 CA THR A 18 13.568 -6.366 0.209 1.00 0.00 C ATOM 258 C THR A 18 13.514 -7.368 -0.956 1.00 0.00 C ATOM 259 O THR A 18 14.436 -8.153 -1.206 1.00 0.00 O ATOM 260 CB THR A 18 13.887 -7.059 1.578 1.00 0.00 C ATOM 261 OG1 THR A 18 15.226 -7.589 1.595 1.00 0.00 O ATOM 262 CG2 THR A 18 12.892 -8.172 1.886 1.00 0.00 C ATOM 0 H THR A 18 11.557 -6.180 0.742 1.00 0.00 H new ATOM 0 HA THR A 18 14.381 -5.662 0.029 1.00 0.00 H new ATOM 0 HB THR A 18 13.801 -6.293 2.349 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.427 -7.998 0.727 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.143 -8.630 2.842 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.885 -7.757 1.936 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.935 -8.926 1.100 1.00 0.00 H new ATOM 270 N ASN A 19 12.420 -7.277 -1.674 1.00 0.00 N ATOM 271 CA ASN A 19 12.123 -8.075 -2.827 1.00 0.00 C ATOM 272 C ASN A 19 11.131 -7.281 -3.663 1.00 0.00 C ATOM 273 O ASN A 19 10.656 -6.245 -3.197 1.00 0.00 O ATOM 274 CB ASN A 19 11.547 -9.445 -2.434 1.00 0.00 C ATOM 275 CG ASN A 19 10.243 -9.378 -1.674 1.00 0.00 C ATOM 276 OD1 ASN A 19 9.163 -9.334 -2.271 1.00 0.00 O ATOM 277 ND2 ASN A 19 10.314 -9.426 -0.367 1.00 0.00 N ATOM 0 H ASN A 19 11.680 -6.610 -1.454 1.00 0.00 H new ATOM 0 HA ASN A 19 13.031 -8.283 -3.393 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.397 -10.035 -3.338 1.00 0.00 H new ATOM 0 HB3 ASN A 19 12.281 -9.974 -1.826 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.460 -9.428 0.190 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.223 -9.462 0.093 1.00 0.00 H new ATOM 284 N GLU A 20 10.803 -7.747 -4.852 1.00 0.00 N ATOM 285 CA GLU A 20 9.952 -6.988 -5.776 1.00 0.00 C ATOM 286 C GLU A 20 8.454 -7.069 -5.464 1.00 0.00 C ATOM 287 O GLU A 20 7.717 -6.128 -5.751 1.00 0.00 O ATOM 288 CB GLU A 20 10.205 -7.409 -7.217 1.00 0.00 C ATOM 289 CG GLU A 20 11.604 -7.128 -7.709 1.00 0.00 C ATOM 290 CD GLU A 20 11.942 -5.662 -7.689 1.00 0.00 C ATOM 291 OE1 GLU A 20 11.451 -4.913 -8.561 1.00 0.00 O ATOM 292 OE2 GLU A 20 12.731 -5.225 -6.834 1.00 0.00 O ATOM 0 H GLU A 20 11.110 -8.651 -5.211 1.00 0.00 H new ATOM 0 HA GLU A 20 10.237 -5.945 -5.636 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.007 -8.477 -7.312 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.495 -6.894 -7.864 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.319 -7.670 -7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.711 -7.508 -8.725 1.00 0.00 H new ATOM 299 N ASP A 21 8.002 -8.184 -4.892 1.00 0.00 N ATOM 300 CA ASP A 21 6.559 -8.351 -4.578 1.00 0.00 C ATOM 301 C ASP A 21 6.200 -7.479 -3.391 1.00 0.00 C ATOM 302 O ASP A 21 5.056 -7.116 -3.174 1.00 0.00 O ATOM 303 CB ASP A 21 6.207 -9.830 -4.302 1.00 0.00 C ATOM 304 CG ASP A 21 4.701 -10.086 -4.174 1.00 0.00 C ATOM 305 OD1 ASP A 21 3.992 -10.068 -5.216 1.00 0.00 O ATOM 306 OD2 ASP A 21 4.210 -10.375 -3.058 1.00 0.00 O ATOM 0 H ASP A 21 8.589 -8.978 -4.636 1.00 0.00 H new ATOM 0 HA ASP A 21 5.975 -8.040 -5.444 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.605 -10.447 -5.108 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.701 -10.148 -3.384 1.00 0.00 H new ATOM 311 N GLU A 22 7.202 -7.144 -2.639 1.00 0.00 N ATOM 312 CA GLU A 22 7.075 -6.246 -1.539 1.00 0.00 C ATOM 313 C GLU A 22 7.277 -4.838 -2.112 1.00 0.00 C ATOM 314 O GLU A 22 8.383 -4.482 -2.547 1.00 0.00 O ATOM 315 CB GLU A 22 8.130 -6.608 -0.510 1.00 0.00 C ATOM 316 CG GLU A 22 7.956 -5.984 0.843 1.00 0.00 C ATOM 317 CD GLU A 22 8.927 -6.564 1.832 1.00 0.00 C ATOM 318 OE1 GLU A 22 8.662 -7.670 2.364 1.00 0.00 O ATOM 319 OE2 GLU A 22 9.970 -5.952 2.085 1.00 0.00 O ATOM 0 H GLU A 22 8.149 -7.496 -2.777 1.00 0.00 H new ATOM 0 HA GLU A 22 6.105 -6.299 -1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.140 -7.692 -0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.106 -6.321 -0.900 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.104 -4.906 0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.936 -6.144 1.193 1.00 0.00 H new ATOM 326 N LEU A 23 6.218 -4.068 -2.143 1.00 0.00 N ATOM 327 CA LEU A 23 6.205 -2.812 -2.867 1.00 0.00 C ATOM 328 C LEU A 23 6.951 -1.707 -2.098 1.00 0.00 C ATOM 329 O LEU A 23 6.796 -1.547 -0.890 1.00 0.00 O ATOM 330 CB LEU A 23 4.730 -2.439 -3.240 1.00 0.00 C ATOM 331 CG LEU A 23 4.473 -1.337 -4.314 1.00 0.00 C ATOM 332 CD1 LEU A 23 4.736 0.060 -3.790 1.00 0.00 C ATOM 333 CD2 LEU A 23 5.305 -1.602 -5.562 1.00 0.00 C ATOM 0 H LEU A 23 5.341 -4.289 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 23 6.755 -2.922 -3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.237 -3.350 -3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.228 -2.128 -2.324 1.00 0.00 H new ATOM 0 HG LEU A 23 3.415 -1.387 -4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.541 0.787 -4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.081 0.260 -2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.775 0.139 -3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.112 -0.823 -6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.363 -1.601 -5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.036 -2.572 -5.980 1.00 0.00 H new ATOM 345 N THR A 24 7.766 -0.975 -2.824 1.00 0.00 N ATOM 346 CA THR A 24 8.563 0.106 -2.277 1.00 0.00 C ATOM 347 C THR A 24 7.891 1.456 -2.540 1.00 0.00 C ATOM 348 O THR A 24 7.615 1.806 -3.692 1.00 0.00 O ATOM 349 CB THR A 24 9.972 0.087 -2.910 1.00 0.00 C ATOM 350 OG1 THR A 24 10.625 -1.154 -2.582 1.00 0.00 O ATOM 351 CG2 THR A 24 10.827 1.276 -2.458 1.00 0.00 C ATOM 0 H THR A 24 7.897 -1.114 -3.826 1.00 0.00 H new ATOM 0 HA THR A 24 8.649 -0.034 -1.199 1.00 0.00 H new ATOM 0 HB THR A 24 9.857 0.172 -3.991 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.538 -0.972 -2.274 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.808 1.219 -2.929 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.339 2.206 -2.748 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.943 1.250 -1.375 1.00 0.00 H new ATOM 359 N PHE A 25 7.626 2.182 -1.486 1.00 0.00 N ATOM 360 CA PHE A 25 6.992 3.477 -1.566 1.00 0.00 C ATOM 361 C PHE A 25 7.726 4.483 -0.700 1.00 0.00 C ATOM 362 O PHE A 25 8.441 4.102 0.231 1.00 0.00 O ATOM 363 CB PHE A 25 5.501 3.387 -1.198 1.00 0.00 C ATOM 364 CG PHE A 25 5.211 2.692 0.107 1.00 0.00 C ATOM 365 CD1 PHE A 25 5.164 3.393 1.300 1.00 0.00 C ATOM 366 CD2 PHE A 25 4.970 1.333 0.129 1.00 0.00 C ATOM 367 CE1 PHE A 25 4.881 2.748 2.482 1.00 0.00 C ATOM 368 CE2 PHE A 25 4.692 0.688 1.302 1.00 0.00 C ATOM 369 CZ PHE A 25 4.646 1.393 2.483 1.00 0.00 C ATOM 0 H PHE A 25 7.846 1.889 -0.534 1.00 0.00 H new ATOM 0 HA PHE A 25 7.047 3.825 -2.597 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.091 4.396 -1.155 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.976 2.863 -1.997 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.351 4.457 1.303 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.001 0.772 -0.793 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.844 3.305 3.407 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.508 -0.376 1.302 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.426 0.883 3.409 1.00 0.00 H new ATOM 379 N ARG A 26 7.563 5.741 -1.006 1.00 0.00 N ATOM 380 CA ARG A 26 8.221 6.813 -0.289 1.00 0.00 C ATOM 381 C ARG A 26 7.220 7.599 0.527 1.00 0.00 C ATOM 382 O ARG A 26 6.100 7.166 0.711 1.00 0.00 O ATOM 383 CB ARG A 26 8.887 7.709 -1.290 1.00 0.00 C ATOM 384 CG ARG A 26 10.043 7.069 -1.995 1.00 0.00 C ATOM 385 CD ARG A 26 10.209 7.665 -3.356 1.00 0.00 C ATOM 386 NE ARG A 26 9.040 7.359 -4.196 1.00 0.00 N ATOM 387 CZ ARG A 26 9.063 6.877 -5.433 1.00 0.00 C ATOM 388 NH1 ARG A 26 10.215 6.524 -6.000 1.00 0.00 N ATOM 389 NH2 ARG A 26 7.921 6.711 -6.087 1.00 0.00 N ATOM 0 H ARG A 26 6.964 6.060 -1.768 1.00 0.00 H new ATOM 0 HA ARG A 26 8.960 6.398 0.396 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.151 8.023 -2.030 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.235 8.609 -0.784 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.955 7.208 -1.415 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.879 5.995 -2.078 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.334 8.745 -3.274 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.113 7.274 -3.823 1.00 0.00 H new ATOM 0 HE ARG A 26 8.122 7.534 -3.788 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.089 6.623 -5.484 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.223 6.155 -6.951 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.037 6.953 -5.639 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.927 6.341 -7.038 1.00 0.00 H new ATOM 403 N GLU A 27 7.633 8.743 1.019 1.00 0.00 N ATOM 404 CA GLU A 27 6.763 9.587 1.815 1.00 0.00 C ATOM 405 C GLU A 27 5.995 10.551 0.900 1.00 0.00 C ATOM 406 O GLU A 27 6.547 11.048 -0.105 1.00 0.00 O ATOM 407 CB GLU A 27 7.587 10.382 2.839 1.00 0.00 C ATOM 408 CG GLU A 27 6.764 11.270 3.767 1.00 0.00 C ATOM 409 CD GLU A 27 7.626 12.197 4.579 1.00 0.00 C ATOM 410 OE1 GLU A 27 8.063 11.825 5.684 1.00 0.00 O ATOM 411 OE2 GLU A 27 7.919 13.317 4.109 1.00 0.00 O ATOM 0 H GLU A 27 8.573 9.116 0.883 1.00 0.00 H new ATOM 0 HA GLU A 27 6.052 8.957 2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.163 9.682 3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.304 11.005 2.304 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.060 11.856 3.176 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.175 10.644 4.437 1.00 0.00 H new ATOM 418 N GLY A 28 4.738 10.788 1.229 1.00 0.00 N ATOM 419 CA GLY A 28 3.917 11.716 0.485 1.00 0.00 C ATOM 420 C GLY A 28 3.379 11.137 -0.804 1.00 0.00 C ATOM 421 O GLY A 28 3.174 11.864 -1.780 1.00 0.00 O ATOM 0 H GLY A 28 4.263 10.344 2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.082 12.033 1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.502 12.607 0.259 1.00 0.00 H new ATOM 425 N GLU A 29 3.164 9.851 -0.839 1.00 0.00 N ATOM 426 CA GLU A 29 2.645 9.225 -2.018 1.00 0.00 C ATOM 427 C GLU A 29 1.277 8.638 -1.797 1.00 0.00 C ATOM 428 O GLU A 29 0.864 8.366 -0.651 1.00 0.00 O ATOM 429 CB GLU A 29 3.612 8.207 -2.601 1.00 0.00 C ATOM 430 CG GLU A 29 4.918 8.833 -3.007 1.00 0.00 C ATOM 431 CD GLU A 29 5.781 7.934 -3.826 1.00 0.00 C ATOM 432 OE1 GLU A 29 6.500 7.111 -3.263 1.00 0.00 O ATOM 433 OE2 GLU A 29 5.789 8.083 -5.070 1.00 0.00 O ATOM 0 H GLU A 29 3.342 9.216 -0.061 1.00 0.00 H new ATOM 0 HA GLU A 29 2.532 10.014 -2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.799 7.424 -1.866 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.155 7.729 -3.467 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.715 9.743 -3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.463 9.130 -2.111 1.00 0.00 H new ATOM 440 N ILE A 30 0.571 8.475 -2.882 1.00 0.00 N ATOM 441 CA ILE A 30 -0.770 7.973 -2.874 1.00 0.00 C ATOM 442 C ILE A 30 -0.759 6.605 -3.518 1.00 0.00 C ATOM 443 O ILE A 30 -0.289 6.449 -4.651 1.00 0.00 O ATOM 444 CB ILE A 30 -1.716 8.914 -3.673 1.00 0.00 C ATOM 445 CG1 ILE A 30 -1.580 10.376 -3.186 1.00 0.00 C ATOM 446 CG2 ILE A 30 -3.169 8.444 -3.576 1.00 0.00 C ATOM 447 CD1 ILE A 30 -1.909 10.594 -1.716 1.00 0.00 C ATOM 0 H ILE A 30 0.922 8.693 -3.815 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.134 7.918 -1.848 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.418 8.875 -4.721 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.559 10.711 -3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.235 11.007 -3.787 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.809 9.120 -4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.254 7.437 -3.983 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.481 8.440 -2.532 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.785 11.648 -1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.940 10.295 -1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.238 9.995 -1.100 1.00 0.00 H new ATOM 459 N ILE A 31 -1.252 5.641 -2.817 1.00 0.00 N ATOM 460 CA ILE A 31 -1.244 4.285 -3.268 1.00 0.00 C ATOM 461 C ILE A 31 -2.672 3.840 -3.486 1.00 0.00 C ATOM 462 O ILE A 31 -3.580 4.254 -2.750 1.00 0.00 O ATOM 463 CB ILE A 31 -0.558 3.348 -2.211 1.00 0.00 C ATOM 464 CG1 ILE A 31 0.881 3.795 -1.928 1.00 0.00 C ATOM 465 CG2 ILE A 31 -0.571 1.887 -2.662 1.00 0.00 C ATOM 466 CD1 ILE A 31 1.588 2.952 -0.882 1.00 0.00 C ATOM 0 H ILE A 31 -1.679 5.772 -1.900 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.679 4.221 -4.198 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.137 3.427 -1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.452 3.760 -2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.871 4.834 -1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.088 1.268 -1.906 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.601 1.557 -2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.033 1.793 -3.605 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.601 3.328 -0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.041 3.006 0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.631 1.916 -1.218 1.00 0.00 H new ATOM 478 N HIS A 32 -2.874 3.041 -4.494 1.00 0.00 N ATOM 479 CA HIS A 32 -4.169 2.476 -4.766 1.00 0.00 C ATOM 480 C HIS A 32 -4.231 1.187 -4.002 1.00 0.00 C ATOM 481 O HIS A 32 -3.422 0.288 -4.243 1.00 0.00 O ATOM 482 CB HIS A 32 -4.343 2.172 -6.266 1.00 0.00 C ATOM 483 CG HIS A 32 -4.301 3.361 -7.185 1.00 0.00 C ATOM 484 ND1 HIS A 32 -5.303 3.671 -8.069 1.00 0.00 N ATOM 485 CD2 HIS A 32 -3.326 4.279 -7.393 1.00 0.00 C ATOM 486 CE1 HIS A 32 -4.925 4.733 -8.773 1.00 0.00 C ATOM 487 NE2 HIS A 32 -3.725 5.149 -8.404 1.00 0.00 N ATOM 0 H HIS A 32 -2.147 2.761 -5.152 1.00 0.00 H new ATOM 0 HA HIS A 32 -4.954 3.175 -4.476 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -3.562 1.475 -6.569 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -5.296 1.662 -6.406 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -2.388 4.328 -6.859 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.520 5.196 -9.546 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -3.202 5.940 -8.780 1.00 0.00 H new ATOM 495 N LEU A 33 -5.116 1.114 -3.063 1.00 0.00 N ATOM 496 CA LEU A 33 -5.243 -0.049 -2.246 1.00 0.00 C ATOM 497 C LEU A 33 -6.023 -1.084 -3.028 1.00 0.00 C ATOM 498 O LEU A 33 -7.156 -0.851 -3.441 1.00 0.00 O ATOM 499 CB LEU A 33 -5.909 0.333 -0.900 1.00 0.00 C ATOM 500 CG LEU A 33 -5.961 -0.718 0.231 1.00 0.00 C ATOM 501 CD1 LEU A 33 -6.346 -0.033 1.520 1.00 0.00 C ATOM 502 CD2 LEU A 33 -6.975 -1.814 -0.057 1.00 0.00 C ATOM 0 H LEU A 33 -5.774 1.861 -2.840 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.272 -0.477 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.390 1.209 -0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.933 0.638 -1.114 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.975 -1.177 0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.385 -0.767 2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.606 0.730 1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.325 0.433 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.978 -2.531 0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.967 -1.374 -0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.707 -2.323 -0.983 1.00 0.00 H new ATOM 514 N ILE A 34 -5.391 -2.195 -3.266 1.00 0.00 N ATOM 515 CA ILE A 34 -5.978 -3.257 -4.029 1.00 0.00 C ATOM 516 C ILE A 34 -6.739 -4.195 -3.096 1.00 0.00 C ATOM 517 O ILE A 34 -7.895 -4.554 -3.350 1.00 0.00 O ATOM 518 CB ILE A 34 -4.877 -4.048 -4.809 1.00 0.00 C ATOM 519 CG1 ILE A 34 -4.099 -3.115 -5.746 1.00 0.00 C ATOM 520 CG2 ILE A 34 -5.470 -5.208 -5.606 1.00 0.00 C ATOM 521 CD1 ILE A 34 -3.012 -3.816 -6.526 1.00 0.00 C ATOM 0 H ILE A 34 -4.447 -2.391 -2.934 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.670 -2.830 -4.755 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.193 -4.462 -4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.795 -2.651 -6.445 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.654 -2.312 -5.159 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.673 -5.732 -6.133 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.970 -5.898 -4.927 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.190 -4.823 -6.328 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.503 -3.097 -7.168 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.294 -4.257 -5.834 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.453 -4.601 -7.140 1.00 0.00 H new ATOM 533 N SER A 35 -6.106 -4.588 -2.011 1.00 0.00 N ATOM 534 CA SER A 35 -6.709 -5.516 -1.075 1.00 0.00 C ATOM 535 C SER A 35 -6.095 -5.357 0.308 1.00 0.00 C ATOM 536 O SER A 35 -4.900 -5.115 0.428 1.00 0.00 O ATOM 537 CB SER A 35 -6.472 -6.960 -1.557 1.00 0.00 C ATOM 538 OG SER A 35 -6.967 -7.158 -2.879 1.00 0.00 O ATOM 0 H SER A 35 -5.169 -4.278 -1.754 1.00 0.00 H new ATOM 0 HA SER A 35 -7.777 -5.305 -1.021 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.405 -7.183 -1.530 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.961 -7.657 -0.876 1.00 0.00 H new ATOM 0 HG SER A 35 -6.800 -8.083 -3.156 1.00 0.00 H new ATOM 544 N LYS A 36 -6.915 -5.446 1.342 1.00 0.00 N ATOM 545 CA LYS A 36 -6.412 -5.491 2.707 1.00 0.00 C ATOM 546 C LYS A 36 -6.198 -6.939 3.101 1.00 0.00 C ATOM 547 O LYS A 36 -5.537 -7.243 4.085 1.00 0.00 O ATOM 548 CB LYS A 36 -7.377 -4.836 3.692 1.00 0.00 C ATOM 549 CG LYS A 36 -7.510 -3.337 3.552 1.00 0.00 C ATOM 550 CD LYS A 36 -8.474 -2.780 4.574 1.00 0.00 C ATOM 551 CE LYS A 36 -8.615 -1.286 4.424 1.00 0.00 C ATOM 552 NZ LYS A 36 -9.346 -0.894 3.199 1.00 0.00 N ATOM 0 H LYS A 36 -7.931 -5.489 1.264 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.475 -4.936 2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.362 -5.287 3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.048 -5.064 4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.533 -2.869 3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.857 -3.091 2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.448 -3.255 4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.122 -3.017 5.578 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.136 -0.887 5.294 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.624 -0.833 4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.411 0.143 3.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.838 -1.248 2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.303 -1.300 3.221 1.00 0.00 H new ATOM 566 N GLU A 37 -6.798 -7.823 2.335 1.00 0.00 N ATOM 567 CA GLU A 37 -6.662 -9.226 2.560 1.00 0.00 C ATOM 568 C GLU A 37 -5.781 -9.833 1.508 1.00 0.00 C ATOM 569 O GLU A 37 -6.184 -10.005 0.359 1.00 0.00 O ATOM 570 CB GLU A 37 -8.019 -9.918 2.615 1.00 0.00 C ATOM 571 CG GLU A 37 -8.847 -9.471 3.792 1.00 0.00 C ATOM 572 CD GLU A 37 -10.211 -10.098 3.843 1.00 0.00 C ATOM 573 OE1 GLU A 37 -10.348 -11.219 4.383 1.00 0.00 O ATOM 574 OE2 GLU A 37 -11.188 -9.470 3.379 1.00 0.00 O ATOM 0 H GLU A 37 -7.391 -7.579 1.542 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.191 -9.373 3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.564 -9.715 1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.871 -10.997 2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.313 -9.709 4.712 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.956 -8.387 3.758 1.00 0.00 H new ATOM 581 N THR A 38 -4.572 -10.101 1.884 1.00 0.00 N ATOM 582 CA THR A 38 -3.610 -10.703 0.999 1.00 0.00 C ATOM 583 C THR A 38 -3.380 -12.146 1.397 1.00 0.00 C ATOM 584 O THR A 38 -2.560 -12.852 0.817 1.00 0.00 O ATOM 585 CB THR A 38 -2.293 -9.940 1.088 1.00 0.00 C ATOM 586 OG1 THR A 38 -1.920 -9.813 2.480 1.00 0.00 O ATOM 587 CG2 THR A 38 -2.430 -8.565 0.465 1.00 0.00 C ATOM 0 H THR A 38 -4.215 -9.909 2.820 1.00 0.00 H new ATOM 0 HA THR A 38 -3.989 -10.666 -0.022 1.00 0.00 H new ATOM 0 HB THR A 38 -1.523 -10.487 0.543 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.976 -8.872 2.749 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.480 -8.036 0.538 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.709 -8.667 -0.584 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.200 -8.002 0.992 1.00 0.00 H new ATOM 595 N GLY A 39 -4.118 -12.576 2.392 1.00 0.00 N ATOM 596 CA GLY A 39 -3.946 -13.902 2.930 1.00 0.00 C ATOM 597 C GLY A 39 -3.273 -13.824 4.274 1.00 0.00 C ATOM 598 O GLY A 39 -3.268 -14.779 5.045 1.00 0.00 O ATOM 0 H GLY A 39 -4.846 -12.024 2.846 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.914 -14.394 3.026 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.348 -14.506 2.248 1.00 0.00 H new ATOM 602 N GLU A 40 -2.712 -12.670 4.548 1.00 0.00 N ATOM 603 CA GLU A 40 -2.047 -12.390 5.791 1.00 0.00 C ATOM 604 C GLU A 40 -2.571 -11.076 6.333 1.00 0.00 C ATOM 605 O GLU A 40 -2.420 -10.027 5.691 1.00 0.00 O ATOM 606 CB GLU A 40 -0.540 -12.285 5.581 1.00 0.00 C ATOM 607 CG GLU A 40 0.107 -13.536 5.034 1.00 0.00 C ATOM 608 CD GLU A 40 1.552 -13.326 4.722 1.00 0.00 C ATOM 609 OE1 GLU A 40 1.854 -12.798 3.645 1.00 0.00 O ATOM 610 OE2 GLU A 40 2.413 -13.678 5.542 1.00 0.00 O ATOM 0 H GLU A 40 -2.707 -11.885 3.897 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.243 -13.199 6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.338 -11.459 4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.070 -12.035 6.532 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.006 -14.343 5.759 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.417 -13.851 4.132 1.00 0.00 H new ATOM 617 N ALA A 41 -3.212 -11.130 7.474 1.00 0.00 N ATOM 618 CA ALA A 41 -3.733 -9.944 8.114 1.00 0.00 C ATOM 619 C ALA A 41 -2.578 -9.058 8.549 1.00 0.00 C ATOM 620 O ALA A 41 -1.730 -9.474 9.339 1.00 0.00 O ATOM 621 CB ALA A 41 -4.606 -10.319 9.305 1.00 0.00 C ATOM 0 H ALA A 41 -3.388 -11.995 7.986 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.354 -9.396 7.406 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.990 -9.413 9.775 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.440 -10.933 8.966 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.014 -10.880 10.028 1.00 0.00 H new ATOM 627 N GLY A 42 -2.528 -7.869 8.012 1.00 0.00 N ATOM 628 CA GLY A 42 -1.452 -6.967 8.323 1.00 0.00 C ATOM 629 C GLY A 42 -0.732 -6.553 7.078 1.00 0.00 C ATOM 630 O GLY A 42 -0.071 -5.509 7.041 1.00 0.00 O ATOM 0 H GLY A 42 -3.219 -7.502 7.357 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.845 -6.087 8.832 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.755 -7.448 9.009 1.00 0.00 H new ATOM 634 N TRP A 43 -0.848 -7.365 6.062 1.00 0.00 N ATOM 635 CA TRP A 43 -0.239 -7.080 4.802 1.00 0.00 C ATOM 636 C TRP A 43 -1.299 -6.641 3.829 1.00 0.00 C ATOM 637 O TRP A 43 -2.268 -7.365 3.575 1.00 0.00 O ATOM 638 CB TRP A 43 0.526 -8.293 4.263 1.00 0.00 C ATOM 639 CG TRP A 43 1.709 -8.687 5.102 1.00 0.00 C ATOM 640 CD1 TRP A 43 1.710 -9.513 6.189 1.00 0.00 C ATOM 641 CD2 TRP A 43 3.066 -8.271 4.915 1.00 0.00 C ATOM 642 NE1 TRP A 43 2.981 -9.631 6.689 1.00 0.00 N ATOM 643 CE2 TRP A 43 3.833 -8.880 5.926 1.00 0.00 C ATOM 644 CE3 TRP A 43 3.707 -7.443 3.988 1.00 0.00 C ATOM 645 CZ2 TRP A 43 5.210 -8.685 6.038 1.00 0.00 C ATOM 646 CZ3 TRP A 43 5.070 -7.250 4.099 1.00 0.00 C ATOM 647 CH2 TRP A 43 5.808 -7.870 5.116 1.00 0.00 C ATOM 0 H TRP A 43 -1.369 -8.242 6.090 1.00 0.00 H new ATOM 0 HA TRP A 43 0.486 -6.277 4.936 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.157 -9.140 4.194 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.867 -8.075 3.251 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.837 -10.002 6.596 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.249 -10.189 7.500 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.146 -6.963 3.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.782 -9.159 6.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.575 -6.611 3.390 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.873 -7.701 5.173 1.00 0.00 H new ATOM 658 N TRP A 44 -1.125 -5.478 3.303 1.00 0.00 N ATOM 659 CA TRP A 44 -2.040 -4.915 2.359 1.00 0.00 C ATOM 660 C TRP A 44 -1.399 -4.925 1.012 1.00 0.00 C ATOM 661 O TRP A 44 -0.178 -4.948 0.906 1.00 0.00 O ATOM 662 CB TRP A 44 -2.387 -3.472 2.721 1.00 0.00 C ATOM 663 CG TRP A 44 -3.302 -3.302 3.891 1.00 0.00 C ATOM 664 CD1 TRP A 44 -3.774 -4.267 4.731 1.00 0.00 C ATOM 665 CD2 TRP A 44 -3.868 -2.071 4.336 1.00 0.00 C ATOM 666 NE1 TRP A 44 -4.614 -3.709 5.656 1.00 0.00 N ATOM 667 CE2 TRP A 44 -4.682 -2.363 5.441 1.00 0.00 C ATOM 668 CE3 TRP A 44 -3.765 -0.748 3.905 1.00 0.00 C ATOM 669 CZ2 TRP A 44 -5.391 -1.384 6.118 1.00 0.00 C ATOM 670 CZ3 TRP A 44 -4.470 0.222 4.580 1.00 0.00 C ATOM 671 CH2 TRP A 44 -5.271 -0.102 5.673 1.00 0.00 C ATOM 0 H TRP A 44 -0.329 -4.877 3.518 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.956 -5.507 2.365 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.461 -2.935 2.926 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.845 -2.998 1.853 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.522 -5.316 4.675 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.110 -4.217 6.388 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.145 -0.491 3.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.015 -1.628 6.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.401 1.250 4.258 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.811 0.684 6.181 1.00 0.00 H new ATOM 682 N LYS A 45 -2.197 -4.934 0.000 1.00 0.00 N ATOM 683 CA LYS A 45 -1.700 -4.904 -1.329 1.00 0.00 C ATOM 684 C LYS A 45 -2.036 -3.573 -1.936 1.00 0.00 C ATOM 685 O LYS A 45 -3.195 -3.138 -1.891 1.00 0.00 O ATOM 686 CB LYS A 45 -2.296 -6.031 -2.164 1.00 0.00 C ATOM 687 CG LYS A 45 -1.702 -6.113 -3.547 1.00 0.00 C ATOM 688 CD LYS A 45 -2.248 -7.265 -4.337 1.00 0.00 C ATOM 689 CE LYS A 45 -1.498 -7.379 -5.643 1.00 0.00 C ATOM 690 NZ LYS A 45 -1.894 -8.545 -6.440 1.00 0.00 N ATOM 0 H LYS A 45 -3.214 -4.962 0.073 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.619 -5.045 -1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.139 -6.979 -1.650 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.373 -5.886 -2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.901 -5.184 -4.080 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.619 -6.210 -3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.151 -8.189 -3.767 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.311 -7.118 -4.527 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.663 -6.475 -6.229 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.429 -7.435 -5.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.224 -8.673 -7.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.890 -9.394 -5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.850 -8.396 -6.822 1.00 0.00 H new ATOM 704 N GLY A 46 -1.060 -2.944 -2.503 1.00 0.00 N ATOM 705 CA GLY A 46 -1.257 -1.666 -3.084 1.00 0.00 C ATOM 706 C GLY A 46 -0.554 -1.551 -4.392 1.00 0.00 C ATOM 707 O GLY A 46 0.306 -2.379 -4.721 1.00 0.00 O ATOM 0 H GLY A 46 -0.108 -3.304 -2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.323 -1.489 -3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.893 -0.895 -2.404 1.00 0.00 H new ATOM 711 N GLU A 47 -0.926 -0.561 -5.138 1.00 0.00 N ATOM 712 CA GLU A 47 -0.356 -0.301 -6.419 1.00 0.00 C ATOM 713 C GLU A 47 0.166 1.131 -6.450 1.00 0.00 C ATOM 714 O GLU A 47 -0.596 2.087 -6.194 1.00 0.00 O ATOM 715 CB GLU A 47 -1.433 -0.459 -7.475 1.00 0.00 C ATOM 716 CG GLU A 47 -0.933 -0.420 -8.893 1.00 0.00 C ATOM 717 CD GLU A 47 -2.052 -0.216 -9.859 1.00 0.00 C ATOM 718 OE1 GLU A 47 -2.453 0.944 -10.052 1.00 0.00 O ATOM 719 OE2 GLU A 47 -2.560 -1.193 -10.422 1.00 0.00 O ATOM 0 H GLU A 47 -1.651 0.104 -4.867 1.00 0.00 H new ATOM 0 HA GLU A 47 0.461 -0.996 -6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.947 -1.406 -7.311 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.171 0.332 -7.343 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.205 0.384 -9.002 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.416 -1.351 -9.124 1.00 0.00 H new ATOM 726 N LEU A 48 1.427 1.291 -6.756 1.00 0.00 N ATOM 727 CA LEU A 48 2.035 2.603 -6.867 1.00 0.00 C ATOM 728 C LEU A 48 2.687 2.737 -8.229 1.00 0.00 C ATOM 729 O LEU A 48 3.581 1.945 -8.580 1.00 0.00 O ATOM 730 CB LEU A 48 3.080 2.831 -5.772 1.00 0.00 C ATOM 731 CG LEU A 48 3.791 4.197 -5.793 1.00 0.00 C ATOM 732 CD1 LEU A 48 2.812 5.337 -5.542 1.00 0.00 C ATOM 733 CD2 LEU A 48 4.921 4.229 -4.785 1.00 0.00 C ATOM 0 H LEU A 48 2.067 0.518 -6.937 1.00 0.00 H new ATOM 0 HA LEU A 48 1.254 3.354 -6.747 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.595 2.711 -4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.835 2.049 -5.849 1.00 0.00 H new ATOM 0 HG LEU A 48 4.213 4.336 -6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.346 6.287 -5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.045 5.335 -6.316 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.344 5.206 -4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.409 5.203 -4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.522 4.056 -3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.646 3.452 -5.026 1.00 0.00 H new ATOM 745 N ASN A 49 2.187 3.691 -9.017 1.00 0.00 N ATOM 746 CA ASN A 49 2.703 4.010 -10.366 1.00 0.00 C ATOM 747 C ASN A 49 2.464 2.854 -11.323 1.00 0.00 C ATOM 748 O ASN A 49 3.118 2.739 -12.358 1.00 0.00 O ATOM 749 CB ASN A 49 4.211 4.402 -10.357 1.00 0.00 C ATOM 750 CG ASN A 49 4.551 5.682 -9.578 1.00 0.00 C ATOM 751 OD1 ASN A 49 3.657 6.631 -9.527 1.00 0.00 O flip ATOM 752 ND2 ASN A 49 5.650 5.820 -9.043 1.00 0.00 N flip ATOM 0 H ASN A 49 1.400 4.277 -8.739 1.00 0.00 H new ATOM 0 HA ASN A 49 2.148 4.882 -10.712 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.782 3.576 -9.933 1.00 0.00 H new ATOM 0 HB3 ASN A 49 4.544 4.524 -11.388 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.339 5.069 -9.091 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.873 6.685 -8.551 1.00 0.00 H new ATOM 759 N GLY A 50 1.504 2.018 -10.980 1.00 0.00 N ATOM 760 CA GLY A 50 1.169 0.894 -11.807 1.00 0.00 C ATOM 761 C GLY A 50 1.742 -0.421 -11.311 1.00 0.00 C ATOM 762 O GLY A 50 1.354 -1.481 -11.799 1.00 0.00 O ATOM 0 H GLY A 50 0.946 2.103 -10.131 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.084 0.808 -11.866 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.530 1.079 -12.819 1.00 0.00 H new ATOM 766 N LYS A 51 2.630 -0.378 -10.327 1.00 0.00 N ATOM 767 CA LYS A 51 3.236 -1.597 -9.837 1.00 0.00 C ATOM 768 C LYS A 51 2.513 -2.052 -8.600 1.00 0.00 C ATOM 769 O LYS A 51 2.271 -1.244 -7.693 1.00 0.00 O ATOM 770 CB LYS A 51 4.741 -1.438 -9.537 1.00 0.00 C ATOM 771 CG LYS A 51 5.658 -1.171 -10.744 1.00 0.00 C ATOM 772 CD LYS A 51 5.538 0.257 -11.288 1.00 0.00 C ATOM 773 CE LYS A 51 6.543 0.539 -12.415 1.00 0.00 C ATOM 774 NZ LYS A 51 6.348 -0.328 -13.604 1.00 0.00 N ATOM 0 H LYS A 51 2.940 0.475 -9.862 1.00 0.00 H new ATOM 0 HA LYS A 51 3.148 -2.344 -10.626 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.863 -0.619 -8.828 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.087 -2.344 -9.039 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.692 -1.357 -10.455 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.417 -1.877 -11.539 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.526 0.418 -11.659 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.697 0.967 -10.476 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.457 1.583 -12.717 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.555 0.400 -12.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.034 -0.066 -14.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.491 -1.323 -13.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.382 -0.203 -13.970 1.00 0.00 H new ATOM 788 N GLU A 52 2.175 -3.312 -8.556 1.00 0.00 N ATOM 789 CA GLU A 52 1.435 -3.858 -7.439 1.00 0.00 C ATOM 790 C GLU A 52 2.303 -4.724 -6.557 1.00 0.00 C ATOM 791 O GLU A 52 3.280 -5.323 -7.013 1.00 0.00 O ATOM 792 CB GLU A 52 0.100 -4.556 -7.882 1.00 0.00 C ATOM 793 CG GLU A 52 0.190 -5.576 -9.036 1.00 0.00 C ATOM 794 CD GLU A 52 0.577 -6.989 -8.615 1.00 0.00 C ATOM 795 OE1 GLU A 52 1.770 -7.288 -8.457 1.00 0.00 O ATOM 796 OE2 GLU A 52 -0.321 -7.831 -8.455 1.00 0.00 O ATOM 0 H GLU A 52 2.400 -3.989 -9.285 1.00 0.00 H new ATOM 0 HA GLU A 52 1.125 -3.016 -6.821 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.321 -5.064 -7.014 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.608 -3.779 -8.171 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.774 -5.615 -9.543 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.918 -5.217 -9.763 1.00 0.00 H new ATOM 803 N GLY A 53 1.998 -4.726 -5.296 1.00 0.00 N ATOM 804 CA GLY A 53 2.720 -5.524 -4.367 1.00 0.00 C ATOM 805 C GLY A 53 2.121 -5.412 -3.007 1.00 0.00 C ATOM 806 O GLY A 53 1.072 -4.777 -2.845 1.00 0.00 O ATOM 0 H GLY A 53 1.243 -4.175 -4.887 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.712 -6.565 -4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.762 -5.207 -4.339 1.00 0.00 H new ATOM 810 N VAL A 54 2.775 -5.963 -2.033 1.00 0.00 N ATOM 811 CA VAL A 54 2.257 -5.973 -0.683 1.00 0.00 C ATOM 812 C VAL A 54 3.140 -5.165 0.236 1.00 0.00 C ATOM 813 O VAL A 54 4.326 -4.939 -0.064 1.00 0.00 O ATOM 814 CB VAL A 54 2.083 -7.415 -0.114 1.00 0.00 C ATOM 815 CG1 VAL A 54 1.087 -8.210 -0.942 1.00 0.00 C ATOM 816 CG2 VAL A 54 3.419 -8.148 -0.038 1.00 0.00 C ATOM 0 H VAL A 54 3.681 -6.420 -2.141 1.00 0.00 H new ATOM 0 HA VAL A 54 1.267 -5.519 -0.731 1.00 0.00 H new ATOM 0 HB VAL A 54 1.692 -7.322 0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.984 -9.211 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.119 -7.709 -0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.443 -8.280 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.262 -9.150 0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.852 -8.220 -1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.099 -7.599 0.614 1.00 0.00 H new ATOM 826 N PHE A 55 2.560 -4.706 1.320 1.00 0.00 N ATOM 827 CA PHE A 55 3.243 -3.900 2.297 1.00 0.00 C ATOM 828 C PHE A 55 2.495 -3.991 3.636 1.00 0.00 C ATOM 829 O PHE A 55 1.314 -4.328 3.650 1.00 0.00 O ATOM 830 CB PHE A 55 3.300 -2.432 1.819 1.00 0.00 C ATOM 831 CG PHE A 55 1.953 -1.736 1.690 1.00 0.00 C ATOM 832 CD1 PHE A 55 1.194 -1.859 0.538 1.00 0.00 C ATOM 833 CD2 PHE A 55 1.458 -0.956 2.727 1.00 0.00 C ATOM 834 CE1 PHE A 55 -0.026 -1.224 0.425 1.00 0.00 C ATOM 835 CE2 PHE A 55 0.240 -0.320 2.617 1.00 0.00 C ATOM 836 CZ PHE A 55 -0.504 -0.454 1.464 1.00 0.00 C ATOM 0 H PHE A 55 1.583 -4.887 1.549 1.00 0.00 H new ATOM 0 HA PHE A 55 4.262 -4.265 2.426 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.918 -1.865 2.515 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.800 -2.402 0.851 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.561 -2.459 -0.282 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.036 -0.846 3.633 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.607 -1.330 -0.479 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.131 0.282 3.433 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.459 0.043 1.375 1.00 0.00 H new ATOM 846 N PRO A 56 3.169 -3.746 4.771 1.00 0.00 N ATOM 847 CA PRO A 56 2.507 -3.708 6.077 1.00 0.00 C ATOM 848 C PRO A 56 1.691 -2.413 6.242 1.00 0.00 C ATOM 849 O PRO A 56 2.175 -1.310 5.924 1.00 0.00 O ATOM 850 CB PRO A 56 3.673 -3.748 7.081 1.00 0.00 C ATOM 851 CG PRO A 56 4.887 -4.052 6.265 1.00 0.00 C ATOM 852 CD PRO A 56 4.609 -3.518 4.900 1.00 0.00 C ATOM 0 HA PRO A 56 1.802 -4.527 6.214 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.777 -2.796 7.601 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.510 -4.511 7.843 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.773 -3.584 6.694 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.077 -5.125 6.233 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.864 -2.462 4.816 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.176 -4.045 4.133 1.00 0.00 H new ATOM 860 N ASP A 57 0.477 -2.548 6.768 1.00 0.00 N ATOM 861 CA ASP A 57 -0.491 -1.431 6.889 1.00 0.00 C ATOM 862 C ASP A 57 0.009 -0.288 7.766 1.00 0.00 C ATOM 863 O ASP A 57 -0.428 0.836 7.615 1.00 0.00 O ATOM 864 CB ASP A 57 -1.864 -1.910 7.410 1.00 0.00 C ATOM 865 CG ASP A 57 -1.909 -2.241 8.896 1.00 0.00 C ATOM 866 OD1 ASP A 57 -1.520 -3.352 9.291 1.00 0.00 O ATOM 867 OD2 ASP A 57 -2.363 -1.404 9.691 1.00 0.00 O ATOM 0 H ASP A 57 0.123 -3.434 7.128 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.603 -1.048 5.875 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.604 -1.137 7.203 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.161 -2.795 6.847 1.00 0.00 H new ATOM 872 N ASN A 58 0.953 -0.562 8.637 1.00 0.00 N ATOM 873 CA ASN A 58 1.452 0.450 9.574 1.00 0.00 C ATOM 874 C ASN A 58 2.332 1.503 8.893 1.00 0.00 C ATOM 875 O ASN A 58 2.767 2.460 9.529 1.00 0.00 O ATOM 876 CB ASN A 58 2.209 -0.206 10.736 1.00 0.00 C ATOM 877 CG ASN A 58 3.506 -0.881 10.323 1.00 0.00 C ATOM 878 OD1 ASN A 58 3.507 -2.034 9.898 1.00 0.00 O ATOM 879 ND2 ASN A 58 4.613 -0.207 10.497 1.00 0.00 N ATOM 0 H ASN A 58 1.399 -1.475 8.726 1.00 0.00 H new ATOM 0 HA ASN A 58 0.577 0.968 9.966 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.429 0.552 11.488 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.561 -0.944 11.208 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.512 -0.637 10.278 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.578 0.749 10.852 1.00 0.00 H new ATOM 886 N PHE A 59 2.606 1.330 7.620 1.00 0.00 N ATOM 887 CA PHE A 59 3.415 2.293 6.902 1.00 0.00 C ATOM 888 C PHE A 59 2.569 3.206 6.027 1.00 0.00 C ATOM 889 O PHE A 59 3.100 4.060 5.300 1.00 0.00 O ATOM 890 CB PHE A 59 4.498 1.604 6.075 1.00 0.00 C ATOM 891 CG PHE A 59 5.556 0.942 6.901 1.00 0.00 C ATOM 892 CD1 PHE A 59 6.529 1.701 7.519 1.00 0.00 C ATOM 893 CD2 PHE A 59 5.588 -0.430 7.055 1.00 0.00 C ATOM 894 CE1 PHE A 59 7.509 1.115 8.277 1.00 0.00 C ATOM 895 CE2 PHE A 59 6.573 -1.029 7.817 1.00 0.00 C ATOM 896 CZ PHE A 59 7.535 -0.251 8.427 1.00 0.00 C ATOM 0 H PHE A 59 2.284 0.539 7.063 1.00 0.00 H new ATOM 0 HA PHE A 59 3.904 2.916 7.651 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.032 0.858 5.432 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.967 2.340 5.422 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.518 2.775 7.403 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.837 -1.040 6.576 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.260 1.726 8.756 1.00 0.00 H new ATOM 0 HE2 PHE A 59 6.590 -2.102 7.935 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.308 -0.715 9.022 1.00 0.00 H new ATOM 906 N ALA A 60 1.266 3.063 6.113 1.00 0.00 N ATOM 907 CA ALA A 60 0.361 3.858 5.317 1.00 0.00 C ATOM 908 C ALA A 60 -0.922 4.100 6.081 1.00 0.00 C ATOM 909 O ALA A 60 -1.180 3.451 7.077 1.00 0.00 O ATOM 910 CB ALA A 60 0.063 3.160 3.993 1.00 0.00 C ATOM 0 H ALA A 60 0.806 2.396 6.733 1.00 0.00 H new ATOM 0 HA ALA A 60 0.832 4.817 5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.621 3.772 3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.991 3.018 3.439 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.395 2.190 4.188 1.00 0.00 H new ATOM 916 N VAL A 61 -1.692 5.041 5.637 1.00 0.00 N ATOM 917 CA VAL A 61 -2.977 5.323 6.228 1.00 0.00 C ATOM 918 C VAL A 61 -3.968 5.491 5.088 1.00 0.00 C ATOM 919 O VAL A 61 -3.613 6.041 4.048 1.00 0.00 O ATOM 920 CB VAL A 61 -2.928 6.606 7.127 1.00 0.00 C ATOM 921 CG1 VAL A 61 -2.664 7.882 6.325 1.00 0.00 C ATOM 922 CG2 VAL A 61 -4.182 6.737 7.959 1.00 0.00 C ATOM 0 H VAL A 61 -1.453 5.644 4.850 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.278 4.505 6.882 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.080 6.480 7.800 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.641 8.738 7.000 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.706 7.798 5.813 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.457 8.021 5.590 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.119 7.636 8.572 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.049 6.806 7.302 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.284 5.864 8.604 1.00 0.00 H new ATOM 932 N GLN A 62 -5.165 5.001 5.227 1.00 0.00 N ATOM 933 CA GLN A 62 -6.096 5.117 4.139 1.00 0.00 C ATOM 934 C GLN A 62 -6.801 6.452 4.194 1.00 0.00 C ATOM 935 O GLN A 62 -7.257 6.889 5.258 1.00 0.00 O ATOM 936 CB GLN A 62 -7.093 3.965 4.092 1.00 0.00 C ATOM 937 CG GLN A 62 -7.954 3.974 2.833 1.00 0.00 C ATOM 938 CD GLN A 62 -8.867 2.790 2.742 1.00 0.00 C ATOM 939 OE1 GLN A 62 -8.561 1.723 3.253 1.00 0.00 O ATOM 940 NE2 GLN A 62 -9.972 2.940 2.069 1.00 0.00 N ATOM 0 H GLN A 62 -5.516 4.528 6.060 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.523 5.060 3.214 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.552 3.021 4.149 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.739 4.015 4.968 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.549 4.887 2.812 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.307 3.995 1.956 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.198 3.844 1.655 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.611 2.153 1.956 1.00 0.00 H new ATOM 949 N ILE A 63 -6.861 7.101 3.058 1.00 0.00 N ATOM 950 CA ILE A 63 -7.495 8.385 2.943 1.00 0.00 C ATOM 951 C ILE A 63 -8.985 8.133 2.871 1.00 0.00 C ATOM 952 O ILE A 63 -9.745 8.467 3.789 1.00 0.00 O ATOM 953 CB ILE A 63 -7.055 9.105 1.633 1.00 0.00 C ATOM 954 CG1 ILE A 63 -5.528 9.108 1.501 1.00 0.00 C ATOM 955 CG2 ILE A 63 -7.597 10.533 1.597 1.00 0.00 C ATOM 956 CD1 ILE A 63 -5.029 9.693 0.197 1.00 0.00 C ATOM 0 H ILE A 63 -6.469 6.749 2.185 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.221 9.013 3.791 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.470 8.556 0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.102 9.674 2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.163 8.085 1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.279 11.020 0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.686 10.510 1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.213 11.090 2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.940 9.661 0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.425 9.113 -0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.363 10.727 0.111 1.00 0.00 H new ATOM 968 N SER A 64 -9.375 7.520 1.784 1.00 0.00 N ATOM 969 CA SER A 64 -10.686 7.125 1.480 1.00 0.00 C ATOM 970 C SER A 64 -10.557 6.088 0.384 1.00 0.00 C ATOM 971 O SER A 64 -10.001 6.428 -0.689 1.00 0.00 O ATOM 972 CB SER A 64 -11.514 8.318 1.017 1.00 0.00 C ATOM 973 OG SER A 64 -11.666 9.271 2.073 1.00 0.00 O ATOM 974 OXT SER A 64 -10.951 4.942 0.601 1.00 0.00 O ATOM 0 H SER A 64 -8.717 7.275 1.044 1.00 0.00 H new ATOM 0 HA SER A 64 -11.198 6.717 2.351 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.032 8.791 0.161 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.495 7.978 0.683 1.00 0.00 H new ATOM 0 HG SER A 64 -11.261 8.918 2.893 1.00 0.00 H new TER 980 SER A 64