USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 423 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 40 TYR OH : rot 100:sc= -0.564 USER MOD Set 1.2: A 44 THR OG1 : rot 123:sc= 0.465 USER MOD Set 2.1: A 9 GLN : amide:sc= -10.9! C(o=-11!,f=-16!) USER MOD Set 2.2: A 32 CYS SG : rot 139:sc= -0.411 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -130:sc= 1.08 (180deg=-1.04) USER MOD Single : A 17 LYS NZ :NH3+ 154:sc= 0.966 (180deg=-0.18) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= 1.02 (180deg=0.974) USER MOD Single : A 27 THR OG1 : rot -76:sc= 0.946 USER MOD Single : A 35 SER OG : rot 81:sc= 0.252 USER MOD Single : A 37 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0072) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 162:sc= -0.0277 (180deg=-0.38) USER MOD Single : A 46 LYS NZ :NH3+ -151:sc= -0.046 (180deg=-0.33) USER MOD Single : A 48 TYR OH : rot -57:sc= 0.00354 USER MOD ----------------------------------------------------------------- ATOM 36 N TYR A 3 3.630 -5.578 -0.773 1.00 0.00 N ATOM 37 CA TYR A 3 2.760 -6.723 -0.563 1.00 0.00 C ATOM 38 C TYR A 3 3.520 -7.803 0.219 1.00 0.00 C ATOM 39 O TYR A 3 4.505 -8.364 -0.256 1.00 0.00 O ATOM 40 CB TYR A 3 2.249 -7.243 -1.906 1.00 0.00 C ATOM 41 CG TYR A 3 3.391 -7.534 -2.859 1.00 0.00 C ATOM 42 CD1 TYR A 3 4.168 -6.488 -3.376 1.00 0.00 C ATOM 43 CD2 TYR A 3 3.619 -8.846 -3.287 1.00 0.00 C ATOM 44 CE1 TYR A 3 5.165 -6.756 -4.322 1.00 0.00 C ATOM 45 CE2 TYR A 3 4.613 -9.113 -4.237 1.00 0.00 C ATOM 46 CZ TYR A 3 5.385 -8.068 -4.755 1.00 0.00 C ATOM 47 OH TYR A 3 6.364 -8.331 -5.692 1.00 0.00 O ATOM 0 HA TYR A 3 1.891 -6.430 0.025 1.00 0.00 H new ATOM 0 HB2 TYR A 3 1.665 -8.150 -1.748 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.580 -6.507 -2.352 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.997 -5.474 -3.044 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.027 -9.655 -2.884 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.764 -5.949 -4.718 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.783 -10.126 -4.570 1.00 0.00 H new ATOM 0 HH TYR A 3 6.386 -9.292 -5.881 1.00 0.00 H new ATOM 57 N ASP A 4 3.024 -8.097 1.414 1.00 0.00 N ATOM 58 CA ASP A 4 3.687 -9.029 2.325 1.00 0.00 C ATOM 59 C ASP A 4 3.676 -10.493 1.843 1.00 0.00 C ATOM 60 O ASP A 4 4.423 -10.859 0.946 1.00 0.00 O ATOM 61 CB ASP A 4 3.029 -8.931 3.699 1.00 0.00 C ATOM 62 CG ASP A 4 3.236 -7.528 4.271 1.00 0.00 C ATOM 63 OD1 ASP A 4 4.379 -7.157 4.479 1.00 0.00 O ATOM 64 OD2 ASP A 4 2.247 -6.847 4.488 1.00 0.00 O ATOM 0 H ASP A 4 2.158 -7.701 1.780 1.00 0.00 H new ATOM 0 HA ASP A 4 4.736 -8.737 2.367 1.00 0.00 H new ATOM 0 HB2 ASP A 4 1.964 -9.148 3.619 1.00 0.00 H new ATOM 0 HB3 ASP A 4 3.456 -9.675 4.371 1.00 0.00 H new ATOM 69 N LYS A 5 2.835 -11.320 2.465 1.00 0.00 N ATOM 70 CA LYS A 5 2.782 -12.757 2.174 1.00 0.00 C ATOM 71 C LYS A 5 2.876 -13.078 0.680 1.00 0.00 C ATOM 72 O LYS A 5 3.588 -14.001 0.281 1.00 0.00 O ATOM 73 CB LYS A 5 1.490 -13.339 2.737 1.00 0.00 C ATOM 74 CG LYS A 5 1.456 -13.147 4.251 1.00 0.00 C ATOM 75 CD LYS A 5 0.155 -13.713 4.809 1.00 0.00 C ATOM 76 CE LYS A 5 0.035 -13.349 6.287 1.00 0.00 C ATOM 77 NZ LYS A 5 -1.211 -13.944 6.850 1.00 0.00 N ATOM 0 H LYS A 5 2.174 -11.017 3.181 1.00 0.00 H new ATOM 0 HA LYS A 5 3.653 -13.208 2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.630 -12.850 2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.421 -14.399 2.494 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.309 -13.647 4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.538 -12.088 4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.695 -13.314 4.255 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.135 -14.796 4.687 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.904 -13.715 6.834 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.018 -12.266 6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.291 -13.695 7.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.036 -13.574 6.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.177 -14.979 6.751 1.00 0.00 H new ATOM 91 N ILE A 6 2.167 -12.329 -0.134 1.00 0.00 N ATOM 92 CA ILE A 6 2.180 -12.569 -1.561 1.00 0.00 C ATOM 93 C ILE A 6 3.621 -12.471 -2.087 1.00 0.00 C ATOM 94 O ILE A 6 4.077 -13.351 -2.809 1.00 0.00 O ATOM 95 CB ILE A 6 1.239 -11.580 -2.266 1.00 0.00 C ATOM 96 CG1 ILE A 6 1.621 -11.446 -3.731 1.00 0.00 C ATOM 97 CG2 ILE A 6 1.281 -10.219 -1.591 1.00 0.00 C ATOM 98 CD1 ILE A 6 0.882 -12.517 -4.510 1.00 0.00 C ATOM 0 H ILE A 6 1.577 -11.552 0.164 1.00 0.00 H new ATOM 0 HA ILE A 6 1.816 -13.574 -1.774 1.00 0.00 H new ATOM 0 HB ILE A 6 0.223 -11.968 -2.197 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.360 -10.456 -4.104 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.698 -11.559 -3.856 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.607 -9.536 -2.108 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.970 -10.319 -0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.297 -9.825 -1.629 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.140 -12.442 -5.566 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.167 -13.501 -4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.192 -12.380 -4.388 1.00 0.00 H new ATOM 110 N ALA A 7 4.343 -11.419 -1.721 1.00 0.00 N ATOM 111 CA ALA A 7 5.731 -11.294 -2.152 1.00 0.00 C ATOM 112 C ALA A 7 6.586 -12.315 -1.406 1.00 0.00 C ATOM 113 O ALA A 7 7.406 -13.015 -1.996 1.00 0.00 O ATOM 114 CB ALA A 7 6.264 -9.901 -1.835 1.00 0.00 C ATOM 0 H ALA A 7 4.001 -10.654 -1.139 1.00 0.00 H new ATOM 0 HA ALA A 7 5.776 -11.466 -3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.301 -9.825 -2.163 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.663 -9.155 -2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.210 -9.726 -0.760 1.00 0.00 H new ATOM 120 N ALA A 8 6.360 -12.376 -0.100 1.00 0.00 N ATOM 121 CA ALA A 8 7.102 -13.254 0.795 1.00 0.00 C ATOM 122 C ALA A 8 7.452 -14.592 0.148 1.00 0.00 C ATOM 123 O ALA A 8 8.598 -14.825 -0.232 1.00 0.00 O ATOM 124 CB ALA A 8 6.285 -13.504 2.057 1.00 0.00 C ATOM 0 H ALA A 8 5.652 -11.813 0.371 1.00 0.00 H new ATOM 0 HA ALA A 8 8.039 -12.752 1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.841 -14.161 2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.091 -12.556 2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.338 -13.974 1.790 1.00 0.00 H new ATOM 130 N GLN A 9 6.478 -15.477 0.006 1.00 0.00 N ATOM 131 CA GLN A 9 6.800 -16.777 -0.546 1.00 0.00 C ATOM 132 C GLN A 9 6.761 -16.746 -2.077 1.00 0.00 C ATOM 133 O GLN A 9 7.270 -17.652 -2.736 1.00 0.00 O ATOM 134 CB GLN A 9 5.879 -17.843 0.032 1.00 0.00 C ATOM 135 CG GLN A 9 4.437 -17.543 -0.312 1.00 0.00 C ATOM 136 CD GLN A 9 4.123 -18.225 -1.623 1.00 0.00 C ATOM 137 OE1 GLN A 9 4.133 -19.447 -1.713 1.00 0.00 O ATOM 138 NE2 GLN A 9 3.870 -17.476 -2.646 1.00 0.00 N ATOM 0 H GLN A 9 5.500 -15.328 0.254 1.00 0.00 H new ATOM 0 HA GLN A 9 7.819 -17.037 -0.260 1.00 0.00 H new ATOM 0 HB2 GLN A 9 6.156 -18.822 -0.359 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.999 -17.887 1.114 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.774 -17.903 0.474 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.280 -16.468 -0.394 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.867 -16.461 -2.547 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.673 -17.900 -3.552 1.00 0.00 H new ATOM 147 N GLY A 10 6.145 -15.716 -2.647 1.00 0.00 N ATOM 148 CA GLY A 10 6.121 -15.586 -4.094 1.00 0.00 C ATOM 149 C GLY A 10 7.552 -15.659 -4.628 1.00 0.00 C ATOM 150 O GLY A 10 7.871 -16.462 -5.506 1.00 0.00 O ATOM 0 H GLY A 10 5.665 -14.973 -2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.515 -16.379 -4.533 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.661 -14.640 -4.379 1.00 0.00 H new ATOM 154 N GLU A 11 8.417 -14.821 -4.070 1.00 0.00 N ATOM 155 CA GLU A 11 9.808 -14.789 -4.487 1.00 0.00 C ATOM 156 C GLU A 11 10.522 -16.078 -4.072 1.00 0.00 C ATOM 157 O GLU A 11 11.490 -16.489 -4.710 1.00 0.00 O ATOM 158 CB GLU A 11 10.505 -13.581 -3.867 1.00 0.00 C ATOM 159 CG GLU A 11 10.579 -13.751 -2.355 1.00 0.00 C ATOM 160 CD GLU A 11 10.911 -12.412 -1.699 1.00 0.00 C ATOM 161 OE1 GLU A 11 10.101 -11.505 -1.809 1.00 0.00 O ATOM 162 OE2 GLU A 11 11.970 -12.312 -1.100 1.00 0.00 O ATOM 0 H GLU A 11 8.179 -14.159 -3.332 1.00 0.00 H new ATOM 0 HA GLU A 11 9.847 -14.707 -5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.508 -13.476 -4.280 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.961 -12.669 -4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.629 -14.127 -1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.339 -14.490 -2.100 1.00 0.00 H new ATOM 169 N VAL A 12 10.052 -16.714 -3.004 1.00 0.00 N ATOM 170 CA VAL A 12 10.670 -17.955 -2.558 1.00 0.00 C ATOM 171 C VAL A 12 10.767 -18.926 -3.736 1.00 0.00 C ATOM 172 O VAL A 12 11.853 -19.371 -4.103 1.00 0.00 O ATOM 173 CB VAL A 12 9.847 -18.579 -1.434 1.00 0.00 C ATOM 174 CG1 VAL A 12 10.350 -19.990 -1.152 1.00 0.00 C ATOM 175 CG2 VAL A 12 9.990 -17.735 -0.174 1.00 0.00 C ATOM 0 H VAL A 12 9.262 -16.398 -2.442 1.00 0.00 H new ATOM 0 HA VAL A 12 11.670 -17.742 -2.180 1.00 0.00 H new ATOM 0 HB VAL A 12 8.800 -18.619 -1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.761 -20.433 -0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.252 -20.598 -2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.398 -19.950 -0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.403 -18.179 0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 12 11.039 -17.696 0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.631 -16.725 -0.370 1.00 0.00 H new ATOM 185 N VAL A 13 9.630 -19.240 -4.337 1.00 0.00 N ATOM 186 CA VAL A 13 9.621 -20.152 -5.470 1.00 0.00 C ATOM 187 C VAL A 13 10.410 -19.562 -6.635 1.00 0.00 C ATOM 188 O VAL A 13 11.114 -20.282 -7.338 1.00 0.00 O ATOM 189 CB VAL A 13 8.199 -20.440 -5.900 1.00 0.00 C ATOM 190 CG1 VAL A 13 8.161 -20.744 -7.394 1.00 0.00 C ATOM 191 CG2 VAL A 13 7.694 -21.643 -5.119 1.00 0.00 C ATOM 0 H VAL A 13 8.714 -18.883 -4.065 1.00 0.00 H new ATOM 0 HA VAL A 13 10.093 -21.086 -5.165 1.00 0.00 H new ATOM 0 HB VAL A 13 7.568 -19.573 -5.703 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.135 -20.950 -7.697 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.538 -19.885 -7.950 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.783 -21.614 -7.604 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.669 -21.866 -5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.328 -22.505 -5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.723 -21.422 -4.052 1.00 0.00 H new ATOM 201 N ARG A 14 10.274 -18.258 -6.849 1.00 0.00 N ATOM 202 CA ARG A 14 11.012 -17.603 -7.920 1.00 0.00 C ATOM 203 C ARG A 14 12.477 -18.037 -7.860 1.00 0.00 C ATOM 204 O ARG A 14 13.053 -18.471 -8.856 1.00 0.00 O ATOM 205 CB ARG A 14 10.915 -16.089 -7.763 1.00 0.00 C ATOM 206 CG ARG A 14 9.479 -15.638 -8.017 1.00 0.00 C ATOM 207 CD ARG A 14 9.337 -15.186 -9.467 1.00 0.00 C ATOM 208 NE ARG A 14 10.242 -14.074 -9.721 1.00 0.00 N ATOM 209 CZ ARG A 14 10.365 -13.541 -10.934 1.00 0.00 C ATOM 210 NH1 ARG A 14 9.666 -14.008 -11.939 1.00 0.00 N ATOM 211 NH2 ARG A 14 11.191 -12.545 -11.123 1.00 0.00 N ATOM 0 H ARG A 14 9.670 -17.643 -6.304 1.00 0.00 H new ATOM 0 HA ARG A 14 10.587 -17.887 -8.883 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.226 -15.797 -6.760 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.590 -15.597 -8.463 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.788 -16.455 -7.810 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.218 -14.822 -7.343 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.562 -16.013 -10.140 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.309 -14.884 -9.666 1.00 0.00 H new ATOM 0 HE ARG A 14 10.794 -13.695 -8.952 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.022 -14.786 -11.795 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.766 -13.594 -12.866 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.737 -12.180 -10.343 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.289 -12.133 -12.051 1.00 0.00 H new ATOM 225 N LYS A 15 13.067 -17.920 -6.679 1.00 0.00 N ATOM 226 CA LYS A 15 14.454 -18.313 -6.489 1.00 0.00 C ATOM 227 C LYS A 15 14.597 -19.837 -6.575 1.00 0.00 C ATOM 228 O LYS A 15 15.559 -20.346 -7.145 1.00 0.00 O ATOM 229 CB LYS A 15 14.940 -17.832 -5.125 1.00 0.00 C ATOM 230 CG LYS A 15 16.306 -18.443 -4.824 1.00 0.00 C ATOM 231 CD LYS A 15 16.777 -17.978 -3.450 1.00 0.00 C ATOM 232 CE LYS A 15 18.084 -18.677 -3.087 1.00 0.00 C ATOM 233 NZ LYS A 15 17.857 -20.147 -2.985 1.00 0.00 N ATOM 0 H LYS A 15 12.609 -17.558 -5.843 1.00 0.00 H new ATOM 0 HA LYS A 15 15.057 -17.859 -7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 15 15.007 -16.744 -5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.225 -18.115 -4.352 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.244 -19.531 -4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.026 -18.146 -5.587 1.00 0.00 H new ATOM 0 HD2 LYS A 15 16.920 -16.897 -3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.016 -18.198 -2.701 1.00 0.00 H new ATOM 0 HE2 LYS A 15 18.841 -18.468 -3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 15 18.463 -18.291 -2.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 18.250 -20.498 -2.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.836 -20.344 -3.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 18.327 -20.627 -3.779 1.00 0.00 H new ATOM 247 N LEU A 16 13.643 -20.562 -6.006 1.00 0.00 N ATOM 248 CA LEU A 16 13.699 -22.017 -6.026 1.00 0.00 C ATOM 249 C LEU A 16 13.825 -22.535 -7.463 1.00 0.00 C ATOM 250 O LEU A 16 14.812 -23.181 -7.816 1.00 0.00 O ATOM 251 CB LEU A 16 12.444 -22.586 -5.380 1.00 0.00 C ATOM 252 CG LEU A 16 12.767 -23.075 -3.970 1.00 0.00 C ATOM 253 CD1 LEU A 16 13.383 -21.941 -3.156 1.00 0.00 C ATOM 254 CD2 LEU A 16 11.485 -23.544 -3.290 1.00 0.00 C ATOM 0 H LEU A 16 12.830 -20.172 -5.530 1.00 0.00 H new ATOM 0 HA LEU A 16 14.576 -22.340 -5.465 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.666 -21.824 -5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.055 -23.409 -5.980 1.00 0.00 H new ATOM 0 HG LEU A 16 13.476 -23.901 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.611 -22.297 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.300 -21.604 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.678 -21.112 -3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.714 -23.893 -2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.779 -22.716 -3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.045 -24.358 -3.865 1.00 0.00 H new ATOM 266 N LYS A 17 12.830 -22.248 -8.288 1.00 0.00 N ATOM 267 CA LYS A 17 12.858 -22.702 -9.670 1.00 0.00 C ATOM 268 C LYS A 17 14.094 -22.145 -10.389 1.00 0.00 C ATOM 269 O LYS A 17 14.611 -22.763 -11.318 1.00 0.00 O ATOM 270 CB LYS A 17 11.588 -22.268 -10.397 1.00 0.00 C ATOM 271 CG LYS A 17 11.494 -20.747 -10.422 1.00 0.00 C ATOM 272 CD LYS A 17 11.239 -20.285 -11.851 1.00 0.00 C ATOM 273 CE LYS A 17 11.498 -18.787 -11.960 1.00 0.00 C ATOM 274 NZ LYS A 17 12.920 -18.499 -11.617 1.00 0.00 N ATOM 0 H LYS A 17 12.003 -21.710 -8.030 1.00 0.00 H new ATOM 0 HA LYS A 17 12.910 -23.791 -9.676 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.591 -22.657 -11.415 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.713 -22.686 -9.899 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.689 -20.410 -9.769 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.417 -20.307 -10.044 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.887 -20.827 -12.540 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.211 -20.508 -12.138 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.280 -18.443 -12.971 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.834 -18.243 -11.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.220 -17.622 -12.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.013 -18.387 -10.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.520 -19.286 -11.935 1.00 0.00 H new ATOM 288 N ALA A 18 14.564 -20.979 -9.959 1.00 0.00 N ATOM 289 CA ALA A 18 15.744 -20.385 -10.567 1.00 0.00 C ATOM 290 C ALA A 18 16.959 -21.274 -10.308 1.00 0.00 C ATOM 291 O ALA A 18 17.707 -21.610 -11.224 1.00 0.00 O ATOM 292 CB ALA A 18 15.989 -18.997 -9.985 1.00 0.00 C ATOM 0 H ALA A 18 14.151 -20.434 -9.202 1.00 0.00 H new ATOM 0 HA ALA A 18 15.584 -20.296 -11.641 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.875 -18.560 -10.446 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.126 -18.362 -10.183 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.142 -19.076 -8.909 1.00 0.00 H new ATOM 298 N GLU A 19 17.146 -21.653 -9.053 1.00 0.00 N ATOM 299 CA GLU A 19 18.265 -22.511 -8.689 1.00 0.00 C ATOM 300 C GLU A 19 17.871 -23.992 -8.786 1.00 0.00 C ATOM 301 O GLU A 19 18.586 -24.860 -8.290 1.00 0.00 O ATOM 302 CB GLU A 19 18.722 -22.197 -7.270 1.00 0.00 C ATOM 303 CG GLU A 19 19.063 -20.715 -7.163 1.00 0.00 C ATOM 304 CD GLU A 19 20.000 -20.483 -5.980 1.00 0.00 C ATOM 305 OE1 GLU A 19 19.678 -20.941 -4.898 1.00 0.00 O ATOM 306 OE2 GLU A 19 21.023 -19.850 -6.175 1.00 0.00 O ATOM 0 H GLU A 19 16.544 -21.383 -8.275 1.00 0.00 H new ATOM 0 HA GLU A 19 19.082 -22.320 -9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 19 17.937 -22.453 -6.559 1.00 0.00 H new ATOM 0 HB3 GLU A 19 19.593 -22.801 -7.015 1.00 0.00 H new ATOM 0 HG2 GLU A 19 19.535 -20.374 -8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.151 -20.131 -7.036 1.00 0.00 H new ATOM 313 N LYS A 20 16.727 -24.264 -9.413 1.00 0.00 N ATOM 314 CA LYS A 20 16.247 -25.629 -9.598 1.00 0.00 C ATOM 315 C LYS A 20 15.682 -26.191 -8.294 1.00 0.00 C ATOM 316 O LYS A 20 16.419 -26.565 -7.381 1.00 0.00 O ATOM 317 CB LYS A 20 17.364 -26.529 -10.117 1.00 0.00 C ATOM 318 CG LYS A 20 17.845 -26.005 -11.464 1.00 0.00 C ATOM 319 CD LYS A 20 18.341 -27.168 -12.315 1.00 0.00 C ATOM 320 CE LYS A 20 18.635 -26.671 -13.726 1.00 0.00 C ATOM 321 NZ LYS A 20 18.916 -27.833 -14.616 1.00 0.00 N ATOM 0 H LYS A 20 16.113 -23.549 -9.803 1.00 0.00 H new ATOM 0 HA LYS A 20 15.447 -25.604 -10.338 1.00 0.00 H new ATOM 0 HB2 LYS A 20 18.190 -26.551 -9.406 1.00 0.00 H new ATOM 0 HB3 LYS A 20 17.004 -27.553 -10.219 1.00 0.00 H new ATOM 0 HG2 LYS A 20 17.034 -25.487 -11.975 1.00 0.00 H new ATOM 0 HG3 LYS A 20 18.645 -25.279 -11.319 1.00 0.00 H new ATOM 0 HD2 LYS A 20 19.240 -27.599 -11.874 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.591 -27.958 -12.344 1.00 0.00 H new ATOM 0 HE2 LYS A 20 17.785 -26.105 -14.108 1.00 0.00 H new ATOM 0 HE3 LYS A 20 19.489 -25.994 -13.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 19.116 -27.493 -15.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 19.739 -28.356 -14.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.088 -28.463 -14.637 1.00 0.00 H new ATOM 335 N ALA A 21 14.362 -26.246 -8.230 1.00 0.00 N ATOM 336 CA ALA A 21 13.669 -26.766 -7.065 1.00 0.00 C ATOM 337 C ALA A 21 12.544 -27.688 -7.546 1.00 0.00 C ATOM 338 O ALA A 21 12.383 -27.892 -8.748 1.00 0.00 O ATOM 339 CB ALA A 21 13.097 -25.604 -6.262 1.00 0.00 C ATOM 0 H ALA A 21 13.745 -25.933 -8.979 1.00 0.00 H new ATOM 0 HA ALA A 21 14.353 -27.327 -6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.575 -25.989 -5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.907 -24.948 -5.943 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.399 -25.042 -6.882 1.00 0.00 H new ATOM 345 N PRO A 22 11.742 -28.257 -6.632 1.00 0.00 N ATOM 346 CA PRO A 22 10.653 -29.150 -7.002 1.00 0.00 C ATOM 347 C PRO A 22 9.429 -28.391 -7.518 1.00 0.00 C ATOM 348 O PRO A 22 9.129 -27.284 -7.069 1.00 0.00 O ATOM 349 CB PRO A 22 10.333 -29.890 -5.712 1.00 0.00 C ATOM 350 CG PRO A 22 10.770 -28.952 -4.595 1.00 0.00 C ATOM 351 CD PRO A 22 11.849 -28.044 -5.190 1.00 0.00 C ATOM 0 HA PRO A 22 10.933 -29.815 -7.819 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.269 -30.117 -5.642 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.866 -30.839 -5.660 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.928 -28.365 -4.229 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.160 -29.514 -3.746 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.679 -27.000 -4.928 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.840 -28.308 -4.821 1.00 0.00 H new ATOM 359 N LYS A 23 8.725 -28.999 -8.460 1.00 0.00 N ATOM 360 CA LYS A 23 7.540 -28.379 -9.031 1.00 0.00 C ATOM 361 C LYS A 23 6.503 -28.127 -7.938 1.00 0.00 C ATOM 362 O LYS A 23 5.880 -27.072 -7.892 1.00 0.00 O ATOM 363 CB LYS A 23 6.942 -29.296 -10.094 1.00 0.00 C ATOM 364 CG LYS A 23 7.928 -29.464 -11.247 1.00 0.00 C ATOM 365 CD LYS A 23 7.499 -28.588 -12.420 1.00 0.00 C ATOM 366 CE LYS A 23 8.459 -28.797 -13.588 1.00 0.00 C ATOM 367 NZ LYS A 23 7.958 -28.066 -14.787 1.00 0.00 N ATOM 0 H LYS A 23 8.952 -29.916 -8.844 1.00 0.00 H new ATOM 0 HA LYS A 23 7.822 -27.429 -9.484 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.708 -30.268 -9.659 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.005 -28.878 -10.463 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.932 -29.189 -10.923 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.967 -30.509 -11.556 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.482 -28.838 -12.722 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.494 -27.539 -12.122 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.454 -28.440 -13.322 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.551 -29.860 -13.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.614 -28.210 -15.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.017 -28.426 -15.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.893 -27.051 -14.572 1.00 0.00 H new ATOM 381 N ALA A 24 6.338 -29.107 -7.058 1.00 0.00 N ATOM 382 CA ALA A 24 5.372 -29.008 -5.972 1.00 0.00 C ATOM 383 C ALA A 24 5.497 -27.674 -5.234 1.00 0.00 C ATOM 384 O ALA A 24 4.496 -27.056 -4.884 1.00 0.00 O ATOM 385 CB ALA A 24 5.596 -30.152 -4.989 1.00 0.00 C ATOM 0 H ALA A 24 6.863 -29.982 -7.076 1.00 0.00 H new ATOM 0 HA ALA A 24 4.371 -29.068 -6.400 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.874 -30.079 -4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.468 -31.104 -5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.606 -30.091 -4.584 1.00 0.00 H new ATOM 391 N LYS A 25 6.718 -27.224 -5.016 1.00 0.00 N ATOM 392 CA LYS A 25 6.929 -25.982 -4.296 1.00 0.00 C ATOM 393 C LYS A 25 6.704 -24.787 -5.216 1.00 0.00 C ATOM 394 O LYS A 25 6.001 -23.845 -4.859 1.00 0.00 O ATOM 395 CB LYS A 25 8.340 -25.957 -3.723 1.00 0.00 C ATOM 396 CG LYS A 25 8.340 -26.625 -2.349 1.00 0.00 C ATOM 397 CD LYS A 25 7.419 -27.846 -2.361 1.00 0.00 C ATOM 398 CE LYS A 25 7.293 -28.401 -0.947 1.00 0.00 C ATOM 399 NZ LYS A 25 6.130 -29.332 -0.882 1.00 0.00 N ATOM 0 H LYS A 25 7.570 -27.693 -5.323 1.00 0.00 H new ATOM 0 HA LYS A 25 6.212 -25.919 -3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.026 -26.476 -4.392 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.693 -24.929 -3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.353 -26.926 -2.082 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.008 -25.916 -1.591 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.436 -27.570 -2.744 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.818 -28.610 -3.029 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.207 -28.924 -0.667 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.161 -27.586 -0.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.970 -29.619 0.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.281 -28.853 -1.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.327 -30.174 -1.460 1.00 0.00 H new ATOM 413 N VAL A 26 7.284 -24.835 -6.402 1.00 0.00 N ATOM 414 CA VAL A 26 7.117 -23.748 -7.353 1.00 0.00 C ATOM 415 C VAL A 26 5.624 -23.464 -7.572 1.00 0.00 C ATOM 416 O VAL A 26 5.188 -22.313 -7.537 1.00 0.00 O ATOM 417 CB VAL A 26 7.776 -24.121 -8.674 1.00 0.00 C ATOM 418 CG1 VAL A 26 7.303 -23.175 -9.774 1.00 0.00 C ATOM 419 CG2 VAL A 26 9.288 -24.005 -8.520 1.00 0.00 C ATOM 0 H VAL A 26 7.868 -25.605 -6.728 1.00 0.00 H new ATOM 0 HA VAL A 26 7.590 -22.849 -6.957 1.00 0.00 H new ATOM 0 HB VAL A 26 7.506 -25.142 -8.943 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.778 -23.447 -10.717 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.221 -23.250 -9.878 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.572 -22.151 -9.514 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.771 -24.270 -9.461 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.549 -22.981 -8.254 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.627 -24.681 -7.735 1.00 0.00 H new ATOM 429 N THR A 27 4.842 -24.514 -7.788 1.00 0.00 N ATOM 430 CA THR A 27 3.412 -24.344 -7.996 1.00 0.00 C ATOM 431 C THR A 27 2.758 -23.804 -6.727 1.00 0.00 C ATOM 432 O THR A 27 1.928 -22.900 -6.780 1.00 0.00 O ATOM 433 CB THR A 27 2.775 -25.673 -8.384 1.00 0.00 C ATOM 434 OG1 THR A 27 3.202 -26.687 -7.487 1.00 0.00 O ATOM 435 CG2 THR A 27 3.188 -26.034 -9.804 1.00 0.00 C ATOM 0 H THR A 27 5.169 -25.480 -7.823 1.00 0.00 H new ATOM 0 HA THR A 27 3.259 -23.630 -8.805 1.00 0.00 H new ATOM 0 HB THR A 27 1.690 -25.586 -8.333 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.120 -26.951 -7.705 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.734 -26.984 -10.085 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.853 -25.255 -10.489 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.273 -26.121 -9.856 1.00 0.00 H new ATOM 443 N GLU A 28 3.132 -24.370 -5.589 1.00 0.00 N ATOM 444 CA GLU A 28 2.594 -23.918 -4.318 1.00 0.00 C ATOM 445 C GLU A 28 2.656 -22.394 -4.247 1.00 0.00 C ATOM 446 O GLU A 28 1.671 -21.733 -3.927 1.00 0.00 O ATOM 447 CB GLU A 28 3.406 -24.516 -3.174 1.00 0.00 C ATOM 448 CG GLU A 28 2.799 -25.850 -2.754 1.00 0.00 C ATOM 449 CD GLU A 28 3.728 -26.544 -1.756 1.00 0.00 C ATOM 450 OE1 GLU A 28 4.126 -25.897 -0.801 1.00 0.00 O ATOM 451 OE2 GLU A 28 4.027 -27.710 -1.959 1.00 0.00 O ATOM 0 H GLU A 28 3.801 -25.137 -5.521 1.00 0.00 H new ATOM 0 HA GLU A 28 1.557 -24.242 -4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.441 -24.659 -3.486 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.420 -23.829 -2.328 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.819 -25.690 -2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.648 -26.484 -3.628 1.00 0.00 H new ATOM 458 N ALA A 29 3.819 -21.838 -4.555 1.00 0.00 N ATOM 459 CA ALA A 29 3.976 -20.391 -4.524 1.00 0.00 C ATOM 460 C ALA A 29 2.998 -19.725 -5.485 1.00 0.00 C ATOM 461 O ALA A 29 2.309 -18.782 -5.114 1.00 0.00 O ATOM 462 CB ALA A 29 5.393 -19.996 -4.898 1.00 0.00 C ATOM 0 H ALA A 29 4.655 -22.356 -4.825 1.00 0.00 H new ATOM 0 HA ALA A 29 3.768 -20.055 -3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.488 -18.911 -4.868 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.093 -20.441 -4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.617 -20.352 -5.903 1.00 0.00 H new ATOM 468 N VAL A 30 2.935 -20.224 -6.711 1.00 0.00 N ATOM 469 CA VAL A 30 2.028 -19.660 -7.698 1.00 0.00 C ATOM 470 C VAL A 30 0.641 -19.498 -7.076 1.00 0.00 C ATOM 471 O VAL A 30 -0.029 -18.481 -7.248 1.00 0.00 O ATOM 472 CB VAL A 30 1.947 -20.600 -8.898 1.00 0.00 C ATOM 473 CG1 VAL A 30 0.580 -20.473 -9.560 1.00 0.00 C ATOM 474 CG2 VAL A 30 3.036 -20.241 -9.902 1.00 0.00 C ATOM 0 H VAL A 30 3.495 -21.010 -7.043 1.00 0.00 H new ATOM 0 HA VAL A 30 2.393 -18.686 -8.023 1.00 0.00 H new ATOM 0 HB VAL A 30 2.089 -21.627 -8.561 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.526 -21.146 -10.416 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.197 -20.736 -8.843 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.432 -19.446 -9.895 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.977 -20.913 -10.758 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.897 -19.213 -10.237 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.013 -20.340 -9.430 1.00 0.00 H new ATOM 484 N GLU A 31 0.227 -20.514 -6.350 1.00 0.00 N ATOM 485 CA GLU A 31 -1.062 -20.503 -5.691 1.00 0.00 C ATOM 486 C GLU A 31 -1.123 -19.440 -4.600 1.00 0.00 C ATOM 487 O GLU A 31 -2.027 -18.616 -4.601 1.00 0.00 O ATOM 488 CB GLU A 31 -1.329 -21.872 -5.108 1.00 0.00 C ATOM 489 CG GLU A 31 -1.296 -22.866 -6.248 1.00 0.00 C ATOM 490 CD GLU A 31 -1.585 -24.273 -5.725 1.00 0.00 C ATOM 491 OE1 GLU A 31 -2.662 -24.474 -5.190 1.00 0.00 O ATOM 492 OE2 GLU A 31 -0.722 -25.123 -5.865 1.00 0.00 O ATOM 0 H GLU A 31 0.769 -21.365 -6.200 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.828 -20.257 -6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.578 -22.123 -4.359 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.297 -21.894 -4.608 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.033 -22.591 -7.002 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.320 -22.843 -6.733 1.00 0.00 H new ATOM 499 N CYS A 32 -0.175 -19.449 -3.668 1.00 0.00 N ATOM 500 CA CYS A 32 -0.191 -18.448 -2.614 1.00 0.00 C ATOM 501 C CYS A 32 -0.192 -17.055 -3.242 1.00 0.00 C ATOM 502 O CYS A 32 -0.631 -16.089 -2.627 1.00 0.00 O ATOM 503 CB CYS A 32 1.017 -18.604 -1.692 1.00 0.00 C ATOM 504 SG CYS A 32 1.335 -20.362 -1.407 1.00 0.00 S ATOM 0 H CYS A 32 0.593 -20.119 -3.622 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.092 -18.584 -2.015 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.892 -18.133 -2.139 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.832 -18.099 -0.744 1.00 0.00 H new ATOM 0 HG CYS A 32 2.616 -20.582 -1.440 1.00 0.00 H new ATOM 510 N LEU A 33 0.296 -16.954 -4.472 1.00 0.00 N ATOM 511 CA LEU A 33 0.313 -15.671 -5.149 1.00 0.00 C ATOM 512 C LEU A 33 -1.085 -15.336 -5.670 1.00 0.00 C ATOM 513 O LEU A 33 -1.648 -14.304 -5.325 1.00 0.00 O ATOM 514 CB LEU A 33 1.309 -15.687 -6.309 1.00 0.00 C ATOM 515 CG LEU A 33 2.726 -15.886 -5.774 1.00 0.00 C ATOM 516 CD1 LEU A 33 3.729 -15.195 -6.690 1.00 0.00 C ATOM 517 CD2 LEU A 33 2.834 -15.287 -4.378 1.00 0.00 C ATOM 0 H LEU A 33 0.678 -17.732 -5.010 1.00 0.00 H new ATOM 0 HA LEU A 33 0.623 -14.908 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.058 -16.488 -7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.249 -14.751 -6.865 1.00 0.00 H new ATOM 0 HG LEU A 33 2.943 -16.954 -5.736 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.737 -15.341 -6.302 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.660 -15.620 -7.691 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.508 -14.128 -6.733 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.846 -15.430 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.610 -14.221 -4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.124 -15.781 -3.714 1.00 0.00 H new ATOM 529 N LEU A 34 -1.655 -16.219 -6.478 1.00 0.00 N ATOM 530 CA LEU A 34 -2.977 -15.965 -7.040 1.00 0.00 C ATOM 531 C LEU A 34 -4.041 -15.931 -5.933 1.00 0.00 C ATOM 532 O LEU A 34 -4.868 -15.018 -5.862 1.00 0.00 O ATOM 533 CB LEU A 34 -3.311 -17.057 -8.053 1.00 0.00 C ATOM 534 CG LEU A 34 -4.570 -16.682 -8.830 1.00 0.00 C ATOM 535 CD1 LEU A 34 -4.471 -17.223 -10.253 1.00 0.00 C ATOM 536 CD2 LEU A 34 -5.792 -17.292 -8.150 1.00 0.00 C ATOM 0 H LEU A 34 -1.232 -17.104 -6.757 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.971 -14.994 -7.535 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.477 -17.194 -8.741 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.460 -18.007 -7.540 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.666 -15.597 -8.854 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.370 -16.955 -10.808 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.599 -16.793 -10.746 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.373 -18.308 -10.224 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.690 -17.023 -8.706 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.691 -18.377 -8.126 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.869 -16.912 -7.131 1.00 0.00 H new ATOM 548 N SER A 35 -3.996 -16.916 -5.062 1.00 0.00 N ATOM 549 CA SER A 35 -4.965 -17.015 -3.989 1.00 0.00 C ATOM 550 C SER A 35 -4.854 -15.829 -3.032 1.00 0.00 C ATOM 551 O SER A 35 -5.833 -15.120 -2.788 1.00 0.00 O ATOM 552 CB SER A 35 -4.743 -18.314 -3.223 1.00 0.00 C ATOM 553 OG SER A 35 -4.816 -19.409 -4.124 1.00 0.00 O ATOM 0 H SER A 35 -3.299 -17.661 -5.075 1.00 0.00 H new ATOM 0 HA SER A 35 -5.963 -17.006 -4.426 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.771 -18.298 -2.731 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.494 -18.421 -2.441 1.00 0.00 H new ATOM 0 HG SER A 35 -3.958 -19.509 -4.588 1.00 0.00 H new ATOM 559 N LEU A 36 -3.667 -15.593 -2.501 1.00 0.00 N ATOM 560 CA LEU A 36 -3.523 -14.508 -1.550 1.00 0.00 C ATOM 561 C LEU A 36 -3.658 -13.153 -2.213 1.00 0.00 C ATOM 562 O LEU A 36 -4.208 -12.257 -1.618 1.00 0.00 O ATOM 563 CB LEU A 36 -2.200 -14.543 -0.803 1.00 0.00 C ATOM 564 CG LEU A 36 -2.204 -13.374 0.187 1.00 0.00 C ATOM 565 CD1 LEU A 36 -1.467 -13.755 1.453 1.00 0.00 C ATOM 566 CD2 LEU A 36 -1.519 -12.160 -0.428 1.00 0.00 C ATOM 0 H LEU A 36 -2.816 -16.118 -2.703 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.333 -14.654 -0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.080 -15.491 -0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.364 -14.456 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.241 -13.133 0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.478 -12.915 2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.956 -14.613 1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.436 -14.012 1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.529 -11.336 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.488 -12.412 -0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.049 -11.862 -1.333 1.00 0.00 H new ATOM 578 N LYS A 37 -3.146 -12.968 -3.412 1.00 0.00 N ATOM 579 CA LYS A 37 -3.271 -11.654 -4.023 1.00 0.00 C ATOM 580 C LYS A 37 -4.742 -11.229 -3.998 1.00 0.00 C ATOM 581 O LYS A 37 -5.062 -10.075 -3.694 1.00 0.00 O ATOM 582 CB LYS A 37 -2.727 -11.644 -5.450 1.00 0.00 C ATOM 583 CG LYS A 37 -3.733 -12.260 -6.410 1.00 0.00 C ATOM 584 CD LYS A 37 -3.149 -12.271 -7.820 1.00 0.00 C ATOM 585 CE LYS A 37 -4.246 -12.617 -8.820 1.00 0.00 C ATOM 586 NZ LYS A 37 -3.692 -12.569 -10.202 1.00 0.00 N ATOM 0 H LYS A 37 -2.659 -13.673 -3.966 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.675 -10.943 -3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.506 -10.621 -5.754 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.790 -12.199 -5.492 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.976 -13.276 -6.097 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.663 -11.691 -6.394 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.721 -11.297 -8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.340 -12.999 -7.885 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.644 -13.610 -8.611 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.074 -11.915 -8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.452 -12.755 -10.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.287 -11.628 -10.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.950 -13.290 -10.304 1.00 0.00 H new ATOM 600 N ALA A 38 -5.635 -12.170 -4.295 1.00 0.00 N ATOM 601 CA ALA A 38 -7.061 -11.879 -4.257 1.00 0.00 C ATOM 602 C ALA A 38 -7.438 -11.453 -2.838 1.00 0.00 C ATOM 603 O ALA A 38 -8.229 -10.536 -2.635 1.00 0.00 O ATOM 604 CB ALA A 38 -7.857 -13.117 -4.653 1.00 0.00 C ATOM 0 H ALA A 38 -5.399 -13.126 -4.561 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.291 -11.077 -4.959 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.923 -12.890 -4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.580 -13.420 -5.663 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.638 -13.928 -3.958 1.00 0.00 H new ATOM 610 N GLU A 39 -6.865 -12.146 -1.865 1.00 0.00 N ATOM 611 CA GLU A 39 -7.093 -11.828 -0.460 1.00 0.00 C ATOM 612 C GLU A 39 -6.565 -10.422 -0.167 1.00 0.00 C ATOM 613 O GLU A 39 -7.232 -9.597 0.454 1.00 0.00 O ATOM 614 CB GLU A 39 -6.334 -12.839 0.406 1.00 0.00 C ATOM 615 CG GLU A 39 -6.197 -12.312 1.830 1.00 0.00 C ATOM 616 CD GLU A 39 -7.580 -12.143 2.462 1.00 0.00 C ATOM 617 OE1 GLU A 39 -8.348 -13.089 2.419 1.00 0.00 O ATOM 618 OE2 GLU A 39 -7.847 -11.071 2.979 1.00 0.00 O ATOM 0 H GLU A 39 -6.237 -12.934 -2.022 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.159 -11.872 -0.239 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.862 -13.793 0.412 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.347 -13.024 -0.018 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.598 -13.001 2.425 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.672 -11.357 1.824 1.00 0.00 H new ATOM 625 N TYR A 40 -5.358 -10.188 -0.644 1.00 0.00 N ATOM 626 CA TYR A 40 -4.651 -8.936 -0.470 1.00 0.00 C ATOM 627 C TYR A 40 -5.542 -7.744 -0.829 1.00 0.00 C ATOM 628 O TYR A 40 -6.230 -7.206 0.036 1.00 0.00 O ATOM 629 CB TYR A 40 -3.405 -8.983 -1.358 1.00 0.00 C ATOM 630 CG TYR A 40 -2.681 -7.669 -1.317 1.00 0.00 C ATOM 631 CD1 TYR A 40 -2.102 -7.231 -0.125 1.00 0.00 C ATOM 632 CD2 TYR A 40 -2.603 -6.886 -2.473 1.00 0.00 C ATOM 633 CE1 TYR A 40 -1.448 -5.994 -0.087 1.00 0.00 C ATOM 634 CE2 TYR A 40 -1.948 -5.656 -2.441 1.00 0.00 C ATOM 635 CZ TYR A 40 -1.375 -5.205 -1.244 1.00 0.00 C ATOM 636 OH TYR A 40 -0.784 -3.962 -1.190 1.00 0.00 O ATOM 0 H TYR A 40 -4.830 -10.880 -1.176 1.00 0.00 H new ATOM 0 HA TYR A 40 -4.365 -8.806 0.574 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.742 -9.781 -1.023 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.691 -9.216 -2.384 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.158 -7.843 0.763 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.051 -7.235 -3.392 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.000 -5.648 0.833 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.882 -5.053 -3.335 1.00 0.00 H new ATOM 0 HH TYR A 40 0.131 -4.019 -1.536 1.00 0.00 H new ATOM 646 N LYS A 41 -5.535 -7.355 -2.105 1.00 0.00 N ATOM 647 CA LYS A 41 -6.321 -6.213 -2.575 1.00 0.00 C ATOM 648 C LYS A 41 -6.519 -5.171 -1.467 1.00 0.00 C ATOM 649 O LYS A 41 -7.624 -4.666 -1.268 1.00 0.00 O ATOM 650 CB LYS A 41 -7.681 -6.698 -3.075 1.00 0.00 C ATOM 651 CG LYS A 41 -8.431 -7.386 -1.938 1.00 0.00 C ATOM 652 CD LYS A 41 -9.765 -7.920 -2.444 1.00 0.00 C ATOM 653 CE LYS A 41 -10.524 -8.554 -1.282 1.00 0.00 C ATOM 654 NZ LYS A 41 -11.681 -9.337 -1.802 1.00 0.00 N ATOM 0 H LYS A 41 -4.991 -7.816 -2.834 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.773 -5.738 -3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.263 -5.856 -3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.548 -7.390 -3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.831 -8.203 -1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.597 -6.682 -1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.352 -7.112 -2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.601 -8.656 -3.232 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.859 -9.204 -0.713 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.874 -7.780 -0.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.195 -9.767 -1.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.320 -8.706 -2.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.337 -10.085 -2.437 1.00 0.00 H new ATOM 668 N GLU A 42 -5.447 -4.840 -0.764 1.00 0.00 N ATOM 669 CA GLU A 42 -5.540 -3.876 0.321 1.00 0.00 C ATOM 670 C GLU A 42 -5.727 -2.467 -0.236 1.00 0.00 C ATOM 671 O GLU A 42 -6.805 -1.885 -0.131 1.00 0.00 O ATOM 672 CB GLU A 42 -4.278 -3.932 1.174 1.00 0.00 C ATOM 673 CG GLU A 42 -4.226 -5.263 1.915 1.00 0.00 C ATOM 674 CD GLU A 42 -2.951 -5.340 2.755 1.00 0.00 C ATOM 675 OE1 GLU A 42 -2.214 -4.368 2.764 1.00 0.00 O ATOM 676 OE2 GLU A 42 -2.732 -6.369 3.373 1.00 0.00 O ATOM 0 H GLU A 42 -4.513 -5.219 -0.922 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.402 -4.126 0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.395 -3.819 0.545 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.270 -3.106 1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.101 -5.367 2.556 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.253 -6.087 1.202 1.00 0.00 H new ATOM 683 N LYS A 43 -4.679 -1.928 -0.836 1.00 0.00 N ATOM 684 CA LYS A 43 -4.752 -0.585 -1.389 1.00 0.00 C ATOM 685 C LYS A 43 -3.489 -0.277 -2.188 1.00 0.00 C ATOM 686 O LYS A 43 -2.913 0.803 -2.069 1.00 0.00 O ATOM 687 CB LYS A 43 -4.900 0.425 -0.258 1.00 0.00 C ATOM 688 CG LYS A 43 -3.804 0.189 0.776 1.00 0.00 C ATOM 689 CD LYS A 43 -3.804 1.325 1.789 1.00 0.00 C ATOM 690 CE LYS A 43 -2.715 1.079 2.830 1.00 0.00 C ATOM 691 NZ LYS A 43 -1.373 1.167 2.185 1.00 0.00 N ATOM 0 H LYS A 43 -3.778 -2.392 -0.952 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.615 -0.520 -2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.833 1.440 -0.650 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.881 0.327 0.206 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.966 -0.763 1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.833 0.127 0.284 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.632 2.276 1.285 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.777 1.393 2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.793 1.813 3.632 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.847 0.097 3.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.645 1.305 2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.179 0.287 1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.357 1.970 1.525 1.00 0.00 H new ATOM 705 N THR A 44 -3.061 -1.230 -3.000 1.00 0.00 N ATOM 706 CA THR A 44 -1.872 -1.031 -3.805 1.00 0.00 C ATOM 707 C THR A 44 -2.092 -1.564 -5.216 1.00 0.00 C ATOM 708 O THR A 44 -2.230 -0.797 -6.167 1.00 0.00 O ATOM 709 CB THR A 44 -0.677 -1.744 -3.179 1.00 0.00 C ATOM 710 OG1 THR A 44 -0.433 -1.229 -1.876 1.00 0.00 O ATOM 711 CG2 THR A 44 0.554 -1.525 -4.050 1.00 0.00 C ATOM 0 H THR A 44 -3.513 -2.137 -3.117 1.00 0.00 H new ATOM 0 HA THR A 44 -1.669 0.039 -3.850 1.00 0.00 H new ATOM 0 HB THR A 44 -0.892 -2.810 -3.107 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.470 -1.959 -1.223 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.410 -2.033 -3.605 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.371 -1.927 -5.046 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.763 -0.458 -4.122 1.00 0.00 H new ATOM 719 N GLY A 45 -2.123 -2.881 -5.349 1.00 0.00 N ATOM 720 CA GLY A 45 -2.283 -3.482 -6.657 1.00 0.00 C ATOM 721 C GLY A 45 -3.665 -4.113 -6.855 1.00 0.00 C ATOM 722 O GLY A 45 -4.122 -4.237 -7.988 1.00 0.00 O ATOM 0 H GLY A 45 -2.041 -3.543 -4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.122 -2.723 -7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.517 -4.244 -6.798 1.00 0.00 H new ATOM 726 N LYS A 46 -4.340 -4.484 -5.765 1.00 0.00 N ATOM 727 CA LYS A 46 -5.619 -5.178 -5.882 1.00 0.00 C ATOM 728 C LYS A 46 -5.348 -6.486 -6.602 1.00 0.00 C ATOM 729 O LYS A 46 -5.150 -6.514 -7.813 1.00 0.00 O ATOM 730 CB LYS A 46 -6.639 -4.339 -6.639 1.00 0.00 C ATOM 731 CG LYS A 46 -6.799 -2.989 -5.949 1.00 0.00 C ATOM 732 CD LYS A 46 -6.950 -3.184 -4.439 1.00 0.00 C ATOM 733 CE LYS A 46 -8.321 -2.704 -3.991 1.00 0.00 C ATOM 734 NZ LYS A 46 -8.433 -1.231 -4.197 1.00 0.00 N ATOM 0 H LYS A 46 -4.028 -4.318 -4.808 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.045 -5.360 -4.895 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.315 -4.196 -7.670 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.597 -4.857 -6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.933 -2.361 -6.157 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.672 -2.471 -6.346 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.822 -4.236 -4.185 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.172 -2.632 -3.912 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.099 -3.219 -4.554 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.476 -2.946 -2.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.089 -0.831 -3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.497 -0.793 -4.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.792 -1.041 -5.154 1.00 0.00 H new ATOM 748 N GLU A 47 -5.366 -7.573 -5.851 1.00 0.00 N ATOM 749 CA GLU A 47 -4.979 -8.847 -6.419 1.00 0.00 C ATOM 750 C GLU A 47 -3.564 -8.626 -6.919 1.00 0.00 C ATOM 751 O GLU A 47 -3.269 -8.730 -8.108 1.00 0.00 O ATOM 752 CB GLU A 47 -5.911 -9.247 -7.554 1.00 0.00 C ATOM 753 CG GLU A 47 -7.326 -9.358 -7.008 1.00 0.00 C ATOM 754 CD GLU A 47 -8.032 -8.004 -7.103 1.00 0.00 C ATOM 755 OE1 GLU A 47 -8.139 -7.491 -8.204 1.00 0.00 O ATOM 756 OE2 GLU A 47 -8.451 -7.501 -6.074 1.00 0.00 O ATOM 0 H GLU A 47 -5.638 -7.599 -4.868 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.036 -9.658 -5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.872 -8.507 -8.354 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.596 -10.198 -7.984 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.883 -10.108 -7.569 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.299 -9.691 -5.971 1.00 0.00 H new ATOM 763 N TYR A 48 -2.705 -8.302 -5.960 1.00 0.00 N ATOM 764 CA TYR A 48 -1.330 -7.927 -6.234 1.00 0.00 C ATOM 765 C TYR A 48 -0.694 -8.765 -7.342 1.00 0.00 C ATOM 766 O TYR A 48 -0.932 -9.966 -7.454 1.00 0.00 O ATOM 767 CB TYR A 48 -0.480 -8.038 -4.982 1.00 0.00 C ATOM 768 CG TYR A 48 0.633 -7.044 -5.134 1.00 0.00 C ATOM 769 CD1 TYR A 48 1.763 -7.378 -5.886 1.00 0.00 C ATOM 770 CD2 TYR A 48 0.480 -5.750 -4.636 1.00 0.00 C ATOM 771 CE1 TYR A 48 2.731 -6.413 -6.156 1.00 0.00 C ATOM 772 CE2 TYR A 48 1.446 -4.781 -4.900 1.00 0.00 C ATOM 773 CZ TYR A 48 2.577 -5.109 -5.660 1.00 0.00 C ATOM 774 OH TYR A 48 3.541 -4.155 -5.916 1.00 0.00 O ATOM 0 H TYR A 48 -2.947 -8.293 -4.969 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.364 -6.892 -6.574 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.071 -7.825 -4.091 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.086 -9.048 -4.869 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.886 -8.385 -6.258 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.388 -5.499 -4.045 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.599 -6.668 -6.746 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.323 -3.778 -4.519 1.00 0.00 H new ATOM 0 HH TYR A 48 4.408 -4.468 -5.582 1.00 0.00 H new ATOM 784 N VAL A 49 0.135 -8.108 -8.143 1.00 0.00 N ATOM 785 CA VAL A 49 0.836 -8.777 -9.228 1.00 0.00 C ATOM 786 C VAL A 49 2.317 -8.938 -8.867 1.00 0.00 C ATOM 787 O VAL A 49 3.102 -7.994 -8.941 1.00 0.00 O ATOM 788 CB VAL A 49 0.681 -7.984 -10.529 1.00 0.00 C ATOM 789 CG1 VAL A 49 1.000 -6.510 -10.291 1.00 0.00 C ATOM 790 CG2 VAL A 49 1.634 -8.542 -11.581 1.00 0.00 C ATOM 0 H VAL A 49 0.338 -7.112 -8.061 1.00 0.00 H new ATOM 0 HA VAL A 49 0.402 -9.766 -9.377 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.348 -8.074 -10.876 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.886 -5.958 -11.224 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.317 -6.106 -9.544 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.026 -6.413 -9.935 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.524 -7.978 -12.507 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.660 -8.457 -11.224 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.400 -9.591 -11.765 1.00 0.00 H new ATOM 800 N PRO A 50 2.708 -10.151 -8.453 1.00 0.00 N ATOM 801 CA PRO A 50 4.074 -10.467 -8.061 1.00 0.00 C ATOM 802 C PRO A 50 4.954 -10.876 -9.247 1.00 0.00 C ATOM 803 O PRO A 50 5.917 -10.189 -9.583 1.00 0.00 O ATOM 804 CB PRO A 50 3.898 -11.622 -7.089 1.00 0.00 C ATOM 805 CG PRO A 50 2.586 -12.296 -7.489 1.00 0.00 C ATOM 806 CD PRO A 50 1.814 -11.296 -8.352 1.00 0.00 C ATOM 0 HA PRO A 50 4.585 -9.605 -7.631 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.733 -12.320 -7.153 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.858 -11.266 -6.060 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.778 -13.215 -8.042 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.008 -12.570 -6.606 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.584 -11.710 -9.334 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.865 -11.021 -7.892 1.00 0.00 H new ATOM 814 N GLY A 51 4.621 -11.993 -9.880 1.00 0.00 N ATOM 815 CA GLY A 51 5.398 -12.468 -11.010 1.00 0.00 C ATOM 816 C GLY A 51 4.878 -13.829 -11.450 1.00 0.00 C ATOM 817 O GLY A 51 4.668 -14.077 -12.635 1.00 0.00 O ATOM 0 H GLY A 51 3.825 -12.580 -9.631 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.331 -11.758 -11.834 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.450 -12.541 -10.736 1.00 0.00 H new ATOM 821 N LEU A 52 4.674 -14.708 -10.485 1.00 0.00 N ATOM 822 CA LEU A 52 4.160 -16.029 -10.780 1.00 0.00 C ATOM 823 C LEU A 52 2.638 -15.955 -10.938 1.00 0.00 C ATOM 824 O LEU A 52 2.137 -15.844 -12.055 1.00 0.00 O ATOM 825 CB LEU A 52 4.535 -17.002 -9.663 1.00 0.00 C ATOM 826 CG LEU A 52 6.051 -17.017 -9.483 1.00 0.00 C ATOM 827 CD1 LEU A 52 6.420 -17.988 -8.365 1.00 0.00 C ATOM 828 CD2 LEU A 52 6.720 -17.464 -10.779 1.00 0.00 C ATOM 0 H LEU A 52 4.856 -14.531 -9.497 1.00 0.00 H new ATOM 0 HA LEU A 52 4.599 -16.391 -11.709 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.051 -16.706 -8.732 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.178 -18.003 -9.904 1.00 0.00 H new ATOM 0 HG LEU A 52 6.392 -16.014 -9.227 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.502 -18.000 -8.236 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.947 -17.670 -7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.075 -18.989 -8.624 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.802 -17.473 -10.646 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.378 -18.466 -11.038 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.459 -16.773 -11.580 1.00 0.00 H new ATOM 840 N GLU A 53 1.919 -16.014 -9.814 1.00 0.00 N ATOM 841 CA GLU A 53 0.471 -15.955 -9.813 1.00 0.00 C ATOM 842 C GLU A 53 -0.112 -16.835 -10.922 1.00 0.00 C ATOM 843 O GLU A 53 -1.191 -16.566 -11.449 1.00 0.00 O ATOM 844 CB GLU A 53 0.018 -14.508 -9.948 1.00 0.00 C ATOM 845 CG GLU A 53 0.106 -14.031 -11.396 1.00 0.00 C ATOM 846 CD GLU A 53 -0.623 -12.695 -11.543 1.00 0.00 C ATOM 847 OE1 GLU A 53 -0.262 -11.766 -10.840 1.00 0.00 O ATOM 848 OE2 GLU A 53 -1.532 -12.624 -12.353 1.00 0.00 O ATOM 0 H GLU A 53 2.331 -16.104 -8.885 1.00 0.00 H new ATOM 0 HA GLU A 53 0.098 -16.345 -8.866 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.008 -14.411 -9.593 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.636 -13.871 -9.315 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.150 -13.921 -11.690 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.336 -14.773 -12.061 1.00 0.00 H new