USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 355 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 13 ASN : amide:sc= 0 K(o=-3.8,f=-4.6) USER MOD Set 1.2: A 14 MET CE :methyl 153:sc= -1.13 (180deg=-1.59!) USER MOD Set 1.3: A 28 MET CE :methyl -170:sc= -2.69! (180deg=-3.26!) USER MOD Single : A 1 GLY N :NH3+ -168:sc= -0.0165 (180deg=-0.192) USER MOD Single : A 3 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.00464) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.06) USER MOD Single : A 17 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.22) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -6.94! C(o=-6.9!,f=-2.9!) USER MOD Single : A 25 SER OG : rot 81:sc= -1.45! USER MOD Single : A 26 LYS NZ :NH3+ -161:sc= -2.73 (180deg=-3.14!) USER MOD Single : A 27 THR OG1 : rot -116:sc= 0.344 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0527 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.1) USER MOD Single : A 42 SER OG : rot -140:sc= -1.31 USER MOD Single : A 43 ASN : amide:sc= -1.13 K(o=-1.1,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.761 49.286 29.489 1.00 0.00 N ATOM 2 CA GLY A 1 -27.760 50.298 29.932 1.00 0.00 C ATOM 3 C GLY A 1 -27.471 51.266 28.784 1.00 0.00 C ATOM 4 O GLY A 1 -27.208 52.435 28.999 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.109 48.758 30.314 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.558 49.766 29.024 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.315 48.627 28.819 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.138 50.844 30.796 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.841 49.803 30.245 1.00 0.00 H new ATOM 10 N ARG A 2 -27.519 50.787 27.567 1.00 0.00 N ATOM 11 CA ARG A 2 -27.248 51.672 26.396 1.00 0.00 C ATOM 12 C ARG A 2 -28.390 52.679 26.242 1.00 0.00 C ATOM 13 O ARG A 2 -29.462 52.345 25.774 1.00 0.00 O ATOM 14 CB ARG A 2 -27.144 50.822 25.127 1.00 0.00 C ATOM 15 CG ARG A 2 -25.831 50.037 25.144 1.00 0.00 C ATOM 16 CD ARG A 2 -26.037 48.682 24.464 1.00 0.00 C ATOM 17 NE ARG A 2 -24.755 48.242 23.831 1.00 0.00 N ATOM 18 CZ ARG A 2 -24.579 46.999 23.428 1.00 0.00 C ATOM 19 NH1 ARG A 2 -25.518 46.091 23.566 1.00 0.00 N ATOM 20 NH2 ARG A 2 -23.443 46.662 22.880 1.00 0.00 N ATOM 0 H ARG A 2 -27.735 49.818 27.334 1.00 0.00 H new ATOM 0 HA ARG A 2 -26.311 52.206 26.554 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -27.989 50.136 25.066 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -27.187 51.460 24.245 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -25.052 50.599 24.629 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -25.494 49.893 26.171 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -26.367 47.943 25.194 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -26.820 48.757 23.710 1.00 0.00 H new ATOM 0 HE ARG A 2 -24.001 48.918 23.709 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -26.410 46.340 23.994 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -25.355 45.136 23.245 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -22.705 47.357 22.768 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -23.294 45.704 22.564 1.00 0.00 H new ATOM 34 N LYS A 3 -28.164 53.907 26.634 1.00 0.00 N ATOM 35 CA LYS A 3 -29.231 54.944 26.515 1.00 0.00 C ATOM 36 C LYS A 3 -29.527 55.204 25.037 1.00 0.00 C ATOM 37 O LYS A 3 -28.693 55.707 24.308 1.00 0.00 O ATOM 38 CB LYS A 3 -28.757 56.241 27.176 1.00 0.00 C ATOM 39 CG LYS A 3 -29.041 56.182 28.678 1.00 0.00 C ATOM 40 CD LYS A 3 -27.805 55.659 29.412 1.00 0.00 C ATOM 41 CE LYS A 3 -26.731 56.748 29.444 1.00 0.00 C ATOM 42 NZ LYS A 3 -27.022 57.700 30.553 1.00 0.00 N ATOM 0 H LYS A 3 -27.284 54.236 27.032 1.00 0.00 H new ATOM 0 HA LYS A 3 -30.136 54.593 27.010 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -27.690 56.381 27.002 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -29.267 57.096 26.732 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -29.304 57.173 29.048 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -29.894 55.532 28.872 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -28.070 55.365 30.428 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -27.421 54.770 28.912 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -25.747 56.300 29.584 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -26.707 57.278 28.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -26.683 58.648 30.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -28.048 57.733 30.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -26.539 57.384 31.418 1.00 0.00 H new ATOM 56 N ARG A 4 -30.710 54.864 24.592 1.00 0.00 N ATOM 57 CA ARG A 4 -31.071 55.088 23.161 1.00 0.00 C ATOM 58 C ARG A 4 -31.075 56.589 22.865 1.00 0.00 C ATOM 59 O ARG A 4 -30.373 57.058 21.988 1.00 0.00 O ATOM 60 CB ARG A 4 -32.462 54.510 22.889 1.00 0.00 C ATOM 61 CG ARG A 4 -32.755 54.567 21.387 1.00 0.00 C ATOM 62 CD ARG A 4 -32.375 53.236 20.727 1.00 0.00 C ATOM 63 NE ARG A 4 -31.323 53.469 19.677 1.00 0.00 N ATOM 64 CZ ARG A 4 -31.474 54.353 18.713 1.00 0.00 C ATOM 65 NH1 ARG A 4 -32.628 54.938 18.493 1.00 0.00 N ATOM 66 NH2 ARG A 4 -30.470 54.608 17.919 1.00 0.00 N ATOM 0 H ARG A 4 -31.443 54.440 25.161 1.00 0.00 H new ATOM 0 HA ARG A 4 -30.341 54.594 22.520 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -32.515 53.480 23.242 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -33.216 55.074 23.439 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -33.812 54.775 21.222 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -32.194 55.382 20.930 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -32.003 52.540 21.479 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -33.256 52.778 20.277 1.00 0.00 H new ATOM 0 HE ARG A 4 -30.462 52.923 19.713 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -33.434 54.711 19.075 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -32.719 55.620 17.740 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -29.581 54.125 18.049 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -30.574 55.291 17.168 1.00 0.00 H new ATOM 80 N LYS A 5 -31.860 57.343 23.592 1.00 0.00 N ATOM 81 CA LYS A 5 -31.916 58.817 23.361 1.00 0.00 C ATOM 82 C LYS A 5 -30.557 59.436 23.695 1.00 0.00 C ATOM 83 O LYS A 5 -29.769 58.865 24.426 1.00 0.00 O ATOM 84 CB LYS A 5 -32.993 59.433 24.259 1.00 0.00 C ATOM 85 CG LYS A 5 -34.298 59.576 23.471 1.00 0.00 C ATOM 86 CD LYS A 5 -35.182 58.351 23.717 1.00 0.00 C ATOM 87 CE LYS A 5 -34.952 57.322 22.608 1.00 0.00 C ATOM 88 NZ LYS A 5 -36.081 56.350 22.590 1.00 0.00 N ATOM 0 H LYS A 5 -32.466 57.000 24.337 1.00 0.00 H new ATOM 0 HA LYS A 5 -32.158 59.014 22.317 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -33.153 58.805 25.136 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -32.666 60.408 24.620 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -34.821 60.482 23.776 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -34.083 59.675 22.407 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -34.951 57.912 24.688 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -36.231 58.646 23.742 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -34.874 57.823 21.643 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -34.010 56.799 22.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -35.925 55.651 21.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -36.135 55.864 23.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -36.972 56.856 22.413 1.00 0.00 H new ATOM 102 N ILE A 6 -30.281 60.601 23.165 1.00 0.00 N ATOM 103 CA ILE A 6 -28.975 61.267 23.446 1.00 0.00 C ATOM 104 C ILE A 6 -29.192 62.775 23.588 1.00 0.00 C ATOM 105 O ILE A 6 -29.744 63.416 22.714 1.00 0.00 O ATOM 106 CB ILE A 6 -28.001 60.992 22.296 1.00 0.00 C ATOM 107 CG1 ILE A 6 -28.628 61.439 20.969 1.00 0.00 C ATOM 108 CG2 ILE A 6 -27.695 59.494 22.237 1.00 0.00 C ATOM 109 CD1 ILE A 6 -28.105 62.828 20.596 1.00 0.00 C ATOM 0 H ILE A 6 -30.906 61.120 22.548 1.00 0.00 H new ATOM 0 HA ILE A 6 -28.558 60.873 24.373 1.00 0.00 H new ATOM 0 HB ILE A 6 -27.078 61.547 22.463 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -28.386 60.725 20.182 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -29.714 61.460 21.057 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -27.002 59.296 21.419 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -27.246 59.177 23.178 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -28.619 58.940 22.072 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -28.551 63.144 19.653 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -28.370 63.539 21.379 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -27.021 62.792 20.490 1.00 0.00 H new ATOM 121 N ASP A 7 -28.762 63.343 24.687 1.00 0.00 N ATOM 122 CA ASP A 7 -28.940 64.809 24.898 1.00 0.00 C ATOM 123 C ASP A 7 -27.577 65.503 24.839 1.00 0.00 C ATOM 124 O ASP A 7 -26.549 64.859 24.845 1.00 0.00 O ATOM 125 CB ASP A 7 -29.576 65.048 26.269 1.00 0.00 C ATOM 126 CG ASP A 7 -30.509 66.258 26.196 1.00 0.00 C ATOM 127 OD1 ASP A 7 -31.377 66.261 25.338 1.00 0.00 O ATOM 128 OD2 ASP A 7 -30.341 67.161 27.000 1.00 0.00 O ATOM 0 H ASP A 7 -28.294 62.851 25.448 1.00 0.00 H new ATOM 0 HA ASP A 7 -29.586 65.215 24.119 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -30.133 64.165 26.582 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -28.801 65.218 27.016 1.00 0.00 H new ATOM 133 N ARG A 8 -27.579 66.819 24.780 1.00 0.00 N ATOM 134 CA ARG A 8 -26.306 67.623 24.719 1.00 0.00 C ATOM 135 C ARG A 8 -25.270 66.981 23.780 1.00 0.00 C ATOM 136 O ARG A 8 -24.118 66.812 24.133 1.00 0.00 O ATOM 137 CB ARG A 8 -25.716 67.782 26.131 1.00 0.00 C ATOM 138 CG ARG A 8 -25.320 66.421 26.714 1.00 0.00 C ATOM 139 CD ARG A 8 -24.284 66.628 27.819 1.00 0.00 C ATOM 140 NE ARG A 8 -23.399 65.425 27.907 1.00 0.00 N ATOM 141 CZ ARG A 8 -22.251 65.462 28.555 1.00 0.00 C ATOM 142 NH1 ARG A 8 -21.823 66.559 29.136 1.00 0.00 N ATOM 143 NH2 ARG A 8 -21.521 64.382 28.619 1.00 0.00 N ATOM 0 H ARG A 8 -28.429 67.383 24.771 1.00 0.00 H new ATOM 0 HA ARG A 8 -26.552 68.605 24.316 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -24.843 68.434 26.094 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -26.446 68.263 26.782 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -26.198 65.914 27.113 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -24.911 65.782 25.931 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -23.688 67.516 27.611 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -24.783 66.796 28.773 1.00 0.00 H new ATOM 0 HE ARG A 8 -23.690 64.558 27.456 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -22.383 67.411 29.093 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -20.931 66.559 29.631 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -21.841 63.523 28.171 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -20.631 64.397 29.117 1.00 0.00 H new ATOM 157 N ASP A 9 -25.674 66.631 22.586 1.00 0.00 N ATOM 158 CA ASP A 9 -24.720 66.007 21.622 1.00 0.00 C ATOM 159 C ASP A 9 -23.761 67.075 21.085 1.00 0.00 C ATOM 160 O ASP A 9 -22.636 66.783 20.724 1.00 0.00 O ATOM 161 CB ASP A 9 -25.501 65.392 20.459 1.00 0.00 C ATOM 162 CG ASP A 9 -24.547 64.592 19.569 1.00 0.00 C ATOM 163 OD1 ASP A 9 -23.645 63.972 20.109 1.00 0.00 O ATOM 164 OD2 ASP A 9 -24.734 64.613 18.364 1.00 0.00 O ATOM 0 H ASP A 9 -26.625 66.751 22.237 1.00 0.00 H new ATOM 0 HA ASP A 9 -24.149 65.229 22.129 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -26.290 64.743 20.840 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -25.986 66.176 19.878 1.00 0.00 H new ATOM 169 N ALA A 10 -24.201 68.307 21.027 1.00 0.00 N ATOM 170 CA ALA A 10 -23.325 69.399 20.508 1.00 0.00 C ATOM 171 C ALA A 10 -22.334 69.836 21.591 1.00 0.00 C ATOM 172 O ALA A 10 -21.134 69.843 21.379 1.00 0.00 O ATOM 173 CB ALA A 10 -24.190 70.593 20.099 1.00 0.00 C ATOM 0 H ALA A 10 -25.133 68.603 21.318 1.00 0.00 H new ATOM 0 HA ALA A 10 -22.771 69.032 19.644 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -23.552 71.391 19.720 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -24.889 70.286 19.321 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -24.746 70.953 20.965 1.00 0.00 H new ATOM 179 N VAL A 11 -22.824 70.206 22.753 1.00 0.00 N ATOM 180 CA VAL A 11 -21.907 70.650 23.849 1.00 0.00 C ATOM 181 C VAL A 11 -20.931 69.522 24.174 1.00 0.00 C ATOM 182 O VAL A 11 -19.759 69.752 24.391 1.00 0.00 O ATOM 183 CB VAL A 11 -22.716 71.004 25.109 1.00 0.00 C ATOM 184 CG1 VAL A 11 -21.794 71.673 26.148 1.00 0.00 C ATOM 185 CG2 VAL A 11 -23.863 71.962 24.745 1.00 0.00 C ATOM 0 H VAL A 11 -23.817 70.219 22.987 1.00 0.00 H new ATOM 0 HA VAL A 11 -21.359 71.533 23.521 1.00 0.00 H new ATOM 0 HB VAL A 11 -23.134 70.090 25.531 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -22.370 71.922 27.039 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -20.990 70.987 26.416 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -21.369 72.583 25.725 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -24.431 72.208 25.643 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -23.452 72.875 24.315 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -24.521 71.483 24.019 1.00 0.00 H new ATOM 195 N LEU A 12 -21.411 68.305 24.188 1.00 0.00 N ATOM 196 CA LEU A 12 -20.528 67.137 24.484 1.00 0.00 C ATOM 197 C LEU A 12 -19.396 67.079 23.456 1.00 0.00 C ATOM 198 O LEU A 12 -18.260 66.788 23.784 1.00 0.00 O ATOM 199 CB LEU A 12 -21.357 65.850 24.414 1.00 0.00 C ATOM 200 CG LEU A 12 -20.492 64.648 24.824 1.00 0.00 C ATOM 201 CD1 LEU A 12 -21.292 63.729 25.751 1.00 0.00 C ATOM 202 CD2 LEU A 12 -20.076 63.865 23.576 1.00 0.00 C ATOM 0 H LEU A 12 -22.386 68.069 24.005 1.00 0.00 H new ATOM 0 HA LEU A 12 -20.101 67.241 25.481 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -22.222 65.928 25.072 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -21.738 65.707 23.403 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.604 65.008 25.344 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -20.676 62.878 26.040 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -21.589 64.281 26.643 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -22.182 63.373 25.231 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -19.463 63.013 23.869 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -20.966 63.510 23.056 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -19.503 64.514 22.914 1.00 0.00 H new ATOM 214 N ASN A 13 -19.696 67.371 22.212 1.00 0.00 N ATOM 215 CA ASN A 13 -18.638 67.351 21.154 1.00 0.00 C ATOM 216 C ASN A 13 -17.515 68.313 21.551 1.00 0.00 C ATOM 217 O ASN A 13 -16.353 68.076 21.282 1.00 0.00 O ATOM 218 CB ASN A 13 -19.242 67.792 19.818 1.00 0.00 C ATOM 219 CG ASN A 13 -18.200 67.631 18.710 1.00 0.00 C ATOM 220 OD1 ASN A 13 -17.393 68.512 18.486 1.00 0.00 O ATOM 221 ND2 ASN A 13 -18.183 66.536 18.000 1.00 0.00 N ATOM 0 H ASN A 13 -20.629 67.622 21.885 1.00 0.00 H new ATOM 0 HA ASN A 13 -18.239 66.342 21.052 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -20.125 67.195 19.591 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -19.567 68.831 19.879 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -17.493 66.420 17.258 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -18.860 65.796 18.187 1.00 0.00 H new ATOM 228 N MET A 14 -17.866 69.391 22.204 1.00 0.00 N ATOM 229 CA MET A 14 -16.859 70.375 22.645 1.00 0.00 C ATOM 230 C MET A 14 -15.895 69.716 23.642 1.00 0.00 C ATOM 231 O MET A 14 -14.702 69.877 23.556 1.00 0.00 O ATOM 232 CB MET A 14 -17.574 71.530 23.329 1.00 0.00 C ATOM 233 CG MET A 14 -18.666 72.112 22.417 1.00 0.00 C ATOM 234 SD MET A 14 -17.996 72.574 20.790 1.00 0.00 S ATOM 235 CE MET A 14 -19.275 71.782 19.784 1.00 0.00 C ATOM 0 H MET A 14 -18.828 69.626 22.450 1.00 0.00 H new ATOM 0 HA MET A 14 -16.295 70.737 21.785 1.00 0.00 H new ATOM 0 HB2 MET A 14 -18.019 71.187 24.263 1.00 0.00 H new ATOM 0 HB3 MET A 14 -16.855 72.308 23.585 1.00 0.00 H new ATOM 0 HG2 MET A 14 -19.464 71.380 22.289 1.00 0.00 H new ATOM 0 HG3 MET A 14 -19.110 72.987 22.891 1.00 0.00 H new ATOM 0 HE1 MET A 14 -19.361 72.301 18.830 1.00 0.00 H new ATOM 0 HE2 MET A 14 -19.006 70.741 19.608 1.00 0.00 H new ATOM 0 HE3 MET A 14 -20.230 71.826 20.308 1.00 0.00 H new ATOM 245 N TRP A 15 -16.414 68.985 24.599 1.00 0.00 N ATOM 246 CA TRP A 15 -15.539 68.329 25.623 1.00 0.00 C ATOM 247 C TRP A 15 -14.905 67.045 25.067 1.00 0.00 C ATOM 248 O TRP A 15 -14.174 66.367 25.767 1.00 0.00 O ATOM 249 CB TRP A 15 -16.389 67.967 26.851 1.00 0.00 C ATOM 250 CG TRP A 15 -17.210 69.129 27.260 1.00 0.00 C ATOM 251 CD1 TRP A 15 -18.443 69.379 26.799 1.00 0.00 C ATOM 252 CD2 TRP A 15 -16.903 70.185 28.203 1.00 0.00 C ATOM 253 NE1 TRP A 15 -18.885 70.558 27.336 1.00 0.00 N ATOM 254 CE2 TRP A 15 -17.976 71.093 28.204 1.00 0.00 C ATOM 255 CE3 TRP A 15 -15.803 70.462 29.027 1.00 0.00 C ATOM 256 CZ2 TRP A 15 -17.966 72.231 28.976 1.00 0.00 C ATOM 257 CZ3 TRP A 15 -15.797 71.608 29.831 1.00 0.00 C ATOM 258 CH2 TRP A 15 -16.878 72.493 29.798 1.00 0.00 C ATOM 0 H TRP A 15 -17.413 68.813 24.716 1.00 0.00 H new ATOM 0 HA TRP A 15 -14.744 69.024 25.893 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -17.034 67.119 26.620 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -15.742 67.661 27.673 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -18.997 68.753 26.116 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -19.784 70.985 27.115 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -14.958 69.789 29.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -18.800 72.917 28.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -14.956 71.808 30.478 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -16.867 73.381 30.412 1.00 0.00 H new ATOM 269 N GLN A 16 -15.187 66.684 23.835 1.00 0.00 N ATOM 270 CA GLN A 16 -14.606 65.426 23.275 1.00 0.00 C ATOM 271 C GLN A 16 -13.397 65.721 22.378 1.00 0.00 C ATOM 272 O GLN A 16 -12.581 64.850 22.136 1.00 0.00 O ATOM 273 CB GLN A 16 -15.677 64.709 22.455 1.00 0.00 C ATOM 274 CG GLN A 16 -16.833 64.303 23.371 1.00 0.00 C ATOM 275 CD GLN A 16 -16.553 62.922 23.967 1.00 0.00 C ATOM 276 OE1 GLN A 16 -16.614 62.741 25.167 1.00 0.00 O ATOM 277 NE2 GLN A 16 -16.248 61.932 23.173 1.00 0.00 N ATOM 0 H GLN A 16 -15.791 67.205 23.199 1.00 0.00 H new ATOM 0 HA GLN A 16 -14.272 64.800 24.103 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -16.040 65.362 21.661 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.253 63.827 21.974 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -16.954 65.037 24.168 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -17.767 64.286 22.809 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -16.197 62.083 22.166 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -16.061 61.007 23.560 1.00 0.00 H new ATOM 286 N GLN A 17 -13.279 66.922 21.865 1.00 0.00 N ATOM 287 CA GLN A 17 -12.127 67.239 20.966 1.00 0.00 C ATOM 288 C GLN A 17 -10.973 67.896 21.744 1.00 0.00 C ATOM 289 O GLN A 17 -10.031 68.386 21.150 1.00 0.00 O ATOM 290 CB GLN A 17 -12.602 68.180 19.861 1.00 0.00 C ATOM 291 CG GLN A 17 -13.689 67.488 19.038 1.00 0.00 C ATOM 292 CD GLN A 17 -13.070 66.349 18.227 1.00 0.00 C ATOM 293 OE1 GLN A 17 -12.143 66.561 17.470 1.00 0.00 O ATOM 294 NE2 GLN A 17 -13.545 65.140 18.353 1.00 0.00 N ATOM 0 H GLN A 17 -13.927 67.692 22.029 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.756 66.308 20.537 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -12.990 69.102 20.295 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -11.766 68.457 19.219 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -14.466 67.099 19.696 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -14.167 68.206 18.371 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -14.323 64.961 18.988 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -13.138 64.374 17.816 1.00 0.00 H new ATOM 303 N GLY A 18 -11.024 67.904 23.057 1.00 0.00 N ATOM 304 CA GLY A 18 -9.914 68.521 23.847 1.00 0.00 C ATOM 305 C GLY A 18 -10.132 70.031 23.968 1.00 0.00 C ATOM 306 O GLY A 18 -9.370 70.822 23.446 1.00 0.00 O ATOM 0 H GLY A 18 -11.784 67.511 23.612 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.869 68.071 24.839 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.958 68.321 23.363 1.00 0.00 H new ATOM 310 N LEU A 19 -11.172 70.429 24.650 1.00 0.00 N ATOM 311 CA LEU A 19 -11.465 71.880 24.816 1.00 0.00 C ATOM 312 C LEU A 19 -11.561 72.208 26.301 1.00 0.00 C ATOM 313 O LEU A 19 -11.274 71.381 27.147 1.00 0.00 O ATOM 314 CB LEU A 19 -12.799 72.200 24.163 1.00 0.00 C ATOM 315 CG LEU A 19 -12.705 72.200 22.636 1.00 0.00 C ATOM 316 CD1 LEU A 19 -12.622 70.768 22.091 1.00 0.00 C ATOM 317 CD2 LEU A 19 -13.967 72.882 22.097 1.00 0.00 C ATOM 0 H LEU A 19 -11.838 69.803 25.104 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.670 72.465 24.353 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.542 71.469 24.480 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.145 73.175 24.505 1.00 0.00 H new ATOM 0 HG LEU A 19 -11.805 72.729 22.321 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.556 70.796 21.003 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.738 70.275 22.496 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.513 70.214 22.386 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.934 72.900 21.008 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.847 72.329 22.424 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.019 73.903 22.475 1.00 0.00 H new ATOM 329 N GLY A 20 -11.961 73.412 26.622 1.00 0.00 N ATOM 330 CA GLY A 20 -12.074 73.797 28.058 1.00 0.00 C ATOM 331 C GLY A 20 -12.901 75.076 28.220 1.00 0.00 C ATOM 332 O GLY A 20 -12.548 76.100 27.693 1.00 0.00 O ATOM 0 H GLY A 20 -12.213 74.141 25.954 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.538 72.986 28.620 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.079 73.947 28.477 1.00 0.00 H new ATOM 336 N ALA A 21 -13.989 74.980 28.969 1.00 0.00 N ATOM 337 CA ALA A 21 -14.928 76.136 29.284 1.00 0.00 C ATOM 338 C ALA A 21 -14.786 77.349 28.352 1.00 0.00 C ATOM 339 O ALA A 21 -15.649 77.604 27.552 1.00 0.00 O ATOM 340 CB ALA A 21 -14.685 76.599 30.722 1.00 0.00 C ATOM 0 H ALA A 21 -14.281 74.102 29.398 1.00 0.00 H new ATOM 0 HA ALA A 21 -15.937 75.749 29.137 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -15.354 77.427 30.956 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.877 75.773 31.407 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.651 76.927 30.829 1.00 0.00 H new ATOM 346 N SER A 22 -13.720 78.112 28.469 1.00 0.00 N ATOM 347 CA SER A 22 -13.537 79.319 27.592 1.00 0.00 C ATOM 348 C SER A 22 -13.737 78.942 26.114 1.00 0.00 C ATOM 349 O SER A 22 -14.605 79.469 25.446 1.00 0.00 O ATOM 350 CB SER A 22 -12.126 79.875 27.785 1.00 0.00 C ATOM 351 OG SER A 22 -11.926 80.180 29.159 1.00 0.00 O ATOM 0 H SER A 22 -12.966 77.950 29.137 1.00 0.00 H new ATOM 0 HA SER A 22 -14.275 80.072 27.868 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.387 79.147 27.451 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.989 80.770 27.178 1.00 0.00 H new ATOM 0 HG SER A 22 -11.022 80.535 29.287 1.00 0.00 H new ATOM 357 N HIS A 23 -12.940 78.037 25.605 1.00 0.00 N ATOM 358 CA HIS A 23 -13.085 77.620 24.178 1.00 0.00 C ATOM 359 C HIS A 23 -14.433 76.912 23.990 1.00 0.00 C ATOM 360 O HIS A 23 -15.099 77.092 22.991 1.00 0.00 O ATOM 361 CB HIS A 23 -11.944 76.662 23.811 1.00 0.00 C ATOM 362 CG HIS A 23 -12.040 76.289 22.355 1.00 0.00 C ATOM 363 ND1 HIS A 23 -11.003 76.512 21.463 1.00 0.00 N ATOM 364 CD2 HIS A 23 -13.046 75.707 21.623 1.00 0.00 C ATOM 365 CE1 HIS A 23 -11.404 76.070 20.256 1.00 0.00 C ATOM 366 NE2 HIS A 23 -12.642 75.569 20.299 1.00 0.00 N ATOM 0 H HIS A 23 -12.193 77.568 26.118 1.00 0.00 H new ATOM 0 HA HIS A 23 -13.044 78.497 23.532 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -10.982 77.133 24.013 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -11.996 75.766 24.430 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.005 75.403 22.016 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -10.799 76.115 19.362 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -13.176 75.171 19.527 1.00 0.00 H new ATOM 374 N ILE A 24 -14.840 76.120 24.955 1.00 0.00 N ATOM 375 CA ILE A 24 -16.160 75.392 24.850 1.00 0.00 C ATOM 376 C ILE A 24 -17.326 76.371 25.039 1.00 0.00 C ATOM 377 O ILE A 24 -18.479 76.015 24.882 1.00 0.00 O ATOM 378 CB ILE A 24 -16.239 74.320 25.945 1.00 0.00 C ATOM 379 CG1 ILE A 24 -14.978 73.485 25.914 1.00 0.00 C ATOM 380 CG2 ILE A 24 -17.447 73.392 25.725 1.00 0.00 C ATOM 381 CD1 ILE A 24 -14.937 72.640 27.157 1.00 0.00 C ATOM 0 H ILE A 24 -14.319 75.942 25.814 1.00 0.00 H new ATOM 0 HA ILE A 24 -16.228 74.933 23.863 1.00 0.00 H new ATOM 0 HB ILE A 24 -16.349 74.821 26.907 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -14.963 72.854 25.026 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -14.099 74.127 25.863 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -17.478 72.642 26.515 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -18.365 73.979 25.745 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -17.354 72.897 24.758 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -14.034 72.030 27.153 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -14.935 73.285 28.036 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -15.813 71.991 27.185 1.00 0.00 H new ATOM 393 N SER A 25 -17.031 77.590 25.394 1.00 0.00 N ATOM 394 CA SER A 25 -18.092 78.602 25.624 1.00 0.00 C ATOM 395 C SER A 25 -18.447 79.297 24.310 1.00 0.00 C ATOM 396 O SER A 25 -19.530 79.126 23.784 1.00 0.00 O ATOM 397 CB SER A 25 -17.572 79.641 26.623 1.00 0.00 C ATOM 398 OG SER A 25 -17.966 79.272 27.936 1.00 0.00 O ATOM 0 H SER A 25 -16.080 77.931 25.536 1.00 0.00 H new ATOM 0 HA SER A 25 -18.983 78.113 26.017 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.486 79.708 26.563 1.00 0.00 H new ATOM 0 HB3 SER A 25 -17.966 80.627 26.377 1.00 0.00 H new ATOM 0 HG SER A 25 -17.351 78.592 28.283 1.00 0.00 H new ATOM 404 N LYS A 26 -17.543 80.084 23.781 1.00 0.00 N ATOM 405 CA LYS A 26 -17.814 80.812 22.507 1.00 0.00 C ATOM 406 C LYS A 26 -18.217 79.836 21.403 1.00 0.00 C ATOM 407 O LYS A 26 -18.913 80.198 20.471 1.00 0.00 O ATOM 408 CB LYS A 26 -16.554 81.566 22.095 1.00 0.00 C ATOM 409 CG LYS A 26 -15.376 80.594 21.996 1.00 0.00 C ATOM 410 CD LYS A 26 -14.085 81.316 22.393 1.00 0.00 C ATOM 411 CE LYS A 26 -14.152 81.760 23.859 1.00 0.00 C ATOM 412 NZ LYS A 26 -12.938 81.284 24.580 1.00 0.00 N ATOM 0 H LYS A 26 -16.621 80.253 24.183 1.00 0.00 H new ATOM 0 HA LYS A 26 -18.636 81.511 22.661 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -16.712 82.059 21.136 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.333 82.347 22.822 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -15.542 79.737 22.649 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.292 80.209 20.980 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.231 80.655 22.245 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.933 82.183 21.750 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.220 82.846 23.918 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.049 81.358 24.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.117 81.292 25.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.711 80.316 24.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.137 81.912 24.364 1.00 0.00 H new ATOM 426 N THR A 27 -17.788 78.605 21.497 1.00 0.00 N ATOM 427 CA THR A 27 -18.150 77.608 20.447 1.00 0.00 C ATOM 428 C THR A 27 -19.514 76.980 20.769 1.00 0.00 C ATOM 429 O THR A 27 -20.289 76.676 19.881 1.00 0.00 O ATOM 430 CB THR A 27 -17.074 76.514 20.386 1.00 0.00 C ATOM 431 OG1 THR A 27 -17.350 75.644 19.298 1.00 0.00 O ATOM 432 CG2 THR A 27 -17.062 75.710 21.691 1.00 0.00 C ATOM 0 H THR A 27 -17.204 78.248 22.253 1.00 0.00 H new ATOM 0 HA THR A 27 -18.211 78.109 19.481 1.00 0.00 H new ATOM 0 HB THR A 27 -16.099 76.981 20.249 1.00 0.00 H new ATOM 0 HG1 THR A 27 -17.544 74.746 19.638 1.00 0.00 H new ATOM 0 HG21 THR A 27 -16.295 74.938 21.635 1.00 0.00 H new ATOM 0 HG22 THR A 27 -16.846 76.376 22.527 1.00 0.00 H new ATOM 0 HG23 THR A 27 -18.036 75.244 21.840 1.00 0.00 H new ATOM 440 N MET A 28 -19.795 76.760 22.031 1.00 0.00 N ATOM 441 CA MET A 28 -21.057 76.137 22.424 1.00 0.00 C ATOM 442 C MET A 28 -21.574 76.814 23.704 1.00 0.00 C ATOM 443 O MET A 28 -20.989 76.672 24.760 1.00 0.00 O ATOM 444 CB MET A 28 -20.784 74.654 22.692 1.00 0.00 C ATOM 445 CG MET A 28 -22.104 73.972 22.998 1.00 0.00 C ATOM 446 SD MET A 28 -22.652 72.991 21.572 1.00 0.00 S ATOM 447 CE MET A 28 -22.540 74.295 20.318 1.00 0.00 C ATOM 0 H MET A 28 -19.177 76.998 22.807 1.00 0.00 H new ATOM 0 HA MET A 28 -21.806 76.245 21.640 1.00 0.00 H new ATOM 0 HB2 MET A 28 -20.311 74.193 21.825 1.00 0.00 H new ATOM 0 HB3 MET A 28 -20.095 74.540 23.529 1.00 0.00 H new ATOM 0 HG2 MET A 28 -21.995 73.328 23.871 1.00 0.00 H new ATOM 0 HG3 MET A 28 -22.858 74.719 23.246 1.00 0.00 H new ATOM 0 HE1 MET A 28 -23.004 73.951 19.393 1.00 0.00 H new ATOM 0 HE2 MET A 28 -23.056 75.187 20.673 1.00 0.00 H new ATOM 0 HE3 MET A 28 -21.492 74.532 20.132 1.00 0.00 H new ATOM 457 N ASN A 29 -22.683 77.526 23.615 1.00 0.00 N ATOM 458 CA ASN A 29 -23.290 78.213 24.805 1.00 0.00 C ATOM 459 C ASN A 29 -22.219 78.851 25.706 1.00 0.00 C ATOM 460 O ASN A 29 -21.686 78.215 26.586 1.00 0.00 O ATOM 461 CB ASN A 29 -24.078 77.174 25.575 1.00 0.00 C ATOM 462 CG ASN A 29 -25.220 77.848 26.338 1.00 0.00 C ATOM 463 OD1 ASN A 29 -24.986 78.652 27.218 1.00 0.00 O ATOM 464 ND2 ASN A 29 -26.454 77.552 26.035 1.00 0.00 N ATOM 0 H ASN A 29 -23.201 77.660 22.747 1.00 0.00 H new ATOM 0 HA ASN A 29 -23.936 79.024 24.469 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -24.478 76.427 24.890 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -23.423 76.650 26.271 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -27.223 77.996 26.537 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -26.650 76.877 25.296 1.00 0.00 H new ATOM 471 N ILE A 30 -21.878 80.086 25.451 1.00 0.00 N ATOM 472 CA ILE A 30 -20.805 80.768 26.247 1.00 0.00 C ATOM 473 C ILE A 30 -21.094 80.817 27.760 1.00 0.00 C ATOM 474 O ILE A 30 -21.904 80.076 28.278 1.00 0.00 O ATOM 475 CB ILE A 30 -20.550 82.182 25.711 1.00 0.00 C ATOM 476 CG1 ILE A 30 -21.646 83.171 26.163 1.00 0.00 C ATOM 477 CG2 ILE A 30 -20.473 82.175 24.179 1.00 0.00 C ATOM 478 CD1 ILE A 30 -23.015 82.704 25.665 1.00 0.00 C ATOM 0 H ILE A 30 -22.298 80.660 24.720 1.00 0.00 H new ATOM 0 HA ILE A 30 -19.909 80.160 26.123 1.00 0.00 H new ATOM 0 HB ILE A 30 -19.596 82.512 26.123 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -21.652 83.246 27.250 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -21.430 84.167 25.776 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -20.292 83.188 23.819 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -19.659 81.525 23.859 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -21.414 81.807 23.769 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -23.780 83.409 25.990 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -23.008 82.652 24.576 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -23.234 81.718 26.074 1.00 0.00 H new ATOM 490 N ALA A 31 -20.386 81.693 28.469 1.00 0.00 N ATOM 491 CA ALA A 31 -20.538 81.821 29.943 1.00 0.00 C ATOM 492 C ALA A 31 -20.104 80.497 30.549 1.00 0.00 C ATOM 493 O ALA A 31 -20.795 79.532 30.425 1.00 0.00 O ATOM 494 CB ALA A 31 -21.989 82.127 30.269 1.00 0.00 C ATOM 0 H ALA A 31 -19.700 82.329 28.062 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.930 82.630 30.347 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -22.107 82.222 31.348 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -22.281 83.061 29.788 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -22.622 81.318 29.905 1.00 0.00 H new ATOM 500 N ARG A 32 -18.942 80.439 31.154 1.00 0.00 N ATOM 501 CA ARG A 32 -18.430 79.155 31.707 1.00 0.00 C ATOM 502 C ARG A 32 -19.387 78.560 32.712 1.00 0.00 C ATOM 503 O ARG A 32 -19.754 77.407 32.620 1.00 0.00 O ATOM 504 CB ARG A 32 -17.105 79.415 32.408 1.00 0.00 C ATOM 505 CG ARG A 32 -16.138 80.095 31.449 1.00 0.00 C ATOM 506 CD ARG A 32 -14.709 79.628 31.744 1.00 0.00 C ATOM 507 NE ARG A 32 -14.001 80.669 32.552 1.00 0.00 N ATOM 508 CZ ARG A 32 -12.871 80.403 33.178 1.00 0.00 C ATOM 509 NH1 ARG A 32 -12.316 79.214 33.122 1.00 0.00 N ATOM 510 NH2 ARG A 32 -12.291 81.345 33.870 1.00 0.00 N ATOM 0 H ARG A 32 -18.323 81.238 31.287 1.00 0.00 H new ATOM 0 HA ARG A 32 -18.313 78.455 30.880 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -17.264 80.043 33.284 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.680 78.476 32.762 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -16.404 79.857 30.419 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -16.207 81.178 31.554 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -14.729 78.683 32.286 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -14.173 79.450 30.812 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.401 81.605 32.620 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.759 78.469 32.585 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.442 79.036 33.616 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.712 82.273 33.922 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.417 81.154 34.359 1.00 0.00 H new ATOM 524 N SER A 33 -19.770 79.326 33.684 1.00 0.00 N ATOM 525 CA SER A 33 -20.699 78.790 34.731 1.00 0.00 C ATOM 526 C SER A 33 -21.984 78.291 34.055 1.00 0.00 C ATOM 527 O SER A 33 -22.514 77.244 34.382 1.00 0.00 O ATOM 528 CB SER A 33 -21.036 79.891 35.736 1.00 0.00 C ATOM 529 OG SER A 33 -21.036 81.148 35.073 1.00 0.00 O ATOM 0 H SER A 33 -19.487 80.298 33.808 1.00 0.00 H new ATOM 0 HA SER A 33 -20.220 77.965 35.258 1.00 0.00 H new ATOM 0 HB2 SER A 33 -22.012 79.704 36.185 1.00 0.00 H new ATOM 0 HB3 SER A 33 -20.308 79.895 36.547 1.00 0.00 H new ATOM 0 HG SER A 33 -21.254 81.856 35.715 1.00 0.00 H new ATOM 535 N THR A 34 -22.459 79.031 33.093 1.00 0.00 N ATOM 536 CA THR A 34 -23.687 78.629 32.345 1.00 0.00 C ATOM 537 C THR A 34 -23.379 77.374 31.521 1.00 0.00 C ATOM 538 O THR A 34 -24.228 76.523 31.296 1.00 0.00 O ATOM 539 CB THR A 34 -24.064 79.764 31.390 1.00 0.00 C ATOM 540 OG1 THR A 34 -24.270 80.960 32.131 1.00 0.00 O ATOM 541 CG2 THR A 34 -25.345 79.410 30.630 1.00 0.00 C ATOM 0 H THR A 34 -22.043 79.911 32.787 1.00 0.00 H new ATOM 0 HA THR A 34 -24.503 78.427 33.039 1.00 0.00 H new ATOM 0 HB THR A 34 -23.254 79.909 30.675 1.00 0.00 H new ATOM 0 HG1 THR A 34 -24.510 81.687 31.519 1.00 0.00 H new ATOM 0 HG21 THR A 34 -25.604 80.225 29.954 1.00 0.00 H new ATOM 0 HG22 THR A 34 -25.187 78.498 30.055 1.00 0.00 H new ATOM 0 HG23 THR A 34 -26.158 79.255 31.339 1.00 0.00 H new ATOM 549 N VAL A 35 -22.158 77.260 31.082 1.00 0.00 N ATOM 550 CA VAL A 35 -21.744 76.090 30.279 1.00 0.00 C ATOM 551 C VAL A 35 -21.805 74.861 31.184 1.00 0.00 C ATOM 552 O VAL A 35 -22.080 73.772 30.730 1.00 0.00 O ATOM 553 CB VAL A 35 -20.308 76.321 29.747 1.00 0.00 C ATOM 554 CG1 VAL A 35 -19.807 75.074 29.009 1.00 0.00 C ATOM 555 CG2 VAL A 35 -20.289 77.526 28.778 1.00 0.00 C ATOM 0 H VAL A 35 -21.420 77.944 31.252 1.00 0.00 H new ATOM 0 HA VAL A 35 -22.401 75.943 29.422 1.00 0.00 H new ATOM 0 HB VAL A 35 -19.655 76.524 30.596 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -18.797 75.251 28.641 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -19.801 74.225 29.692 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -20.467 74.859 28.169 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -19.275 77.680 28.409 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -20.954 77.328 27.938 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -20.624 78.420 29.303 1.00 0.00 H new ATOM 565 N TYR A 36 -21.561 75.038 32.462 1.00 0.00 N ATOM 566 CA TYR A 36 -21.605 73.884 33.398 1.00 0.00 C ATOM 567 C TYR A 36 -23.038 73.503 33.697 1.00 0.00 C ATOM 568 O TYR A 36 -23.314 72.367 34.011 1.00 0.00 O ATOM 569 CB TYR A 36 -20.831 74.205 34.677 1.00 0.00 C ATOM 570 CG TYR A 36 -19.378 73.935 34.395 1.00 0.00 C ATOM 571 CD1 TYR A 36 -18.991 72.666 33.957 1.00 0.00 C ATOM 572 CD2 TYR A 36 -18.436 74.953 34.522 1.00 0.00 C ATOM 573 CE1 TYR A 36 -17.667 72.402 33.645 1.00 0.00 C ATOM 574 CE2 TYR A 36 -17.099 74.703 34.210 1.00 0.00 C ATOM 575 CZ TYR A 36 -16.707 73.423 33.767 1.00 0.00 C ATOM 576 OH TYR A 36 -15.385 73.171 33.457 1.00 0.00 O ATOM 0 H TYR A 36 -21.334 75.935 32.891 1.00 0.00 H new ATOM 0 HA TYR A 36 -21.125 73.027 32.926 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -20.980 75.245 34.967 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -21.183 73.590 35.505 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -19.730 71.884 33.861 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -18.739 75.933 34.861 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -17.374 71.418 33.310 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -16.365 75.489 34.308 1.00 0.00 H new ATOM 0 HH TYR A 36 -14.856 73.984 33.595 1.00 0.00 H new ATOM 586 N LYS A 37 -23.971 74.408 33.536 1.00 0.00 N ATOM 587 CA LYS A 37 -25.397 74.028 33.731 1.00 0.00 C ATOM 588 C LYS A 37 -25.699 72.939 32.693 1.00 0.00 C ATOM 589 O LYS A 37 -26.408 71.983 32.936 1.00 0.00 O ATOM 590 CB LYS A 37 -26.290 75.229 33.460 1.00 0.00 C ATOM 591 CG LYS A 37 -26.581 75.975 34.770 1.00 0.00 C ATOM 592 CD LYS A 37 -25.757 77.263 34.827 1.00 0.00 C ATOM 593 CE LYS A 37 -25.864 77.876 36.225 1.00 0.00 C ATOM 594 NZ LYS A 37 -25.838 79.363 36.118 1.00 0.00 N ATOM 0 H LYS A 37 -23.807 75.382 33.281 1.00 0.00 H new ATOM 0 HA LYS A 37 -25.577 73.682 34.749 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -25.806 75.900 32.750 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -27.224 74.902 33.003 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -27.643 76.209 34.838 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -26.339 75.340 35.622 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -24.714 77.051 34.590 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -26.116 77.970 34.080 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -26.786 77.551 36.707 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -25.040 77.531 36.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -25.911 79.781 37.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -24.946 79.664 35.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -26.639 79.683 35.537 1.00 0.00 H new ATOM 608 N VAL A 38 -25.127 73.114 31.528 1.00 0.00 N ATOM 609 CA VAL A 38 -25.301 72.157 30.411 1.00 0.00 C ATOM 610 C VAL A 38 -24.620 70.802 30.719 1.00 0.00 C ATOM 611 O VAL A 38 -25.213 69.752 30.571 1.00 0.00 O ATOM 612 CB VAL A 38 -24.665 72.833 29.167 1.00 0.00 C ATOM 613 CG1 VAL A 38 -23.936 71.841 28.240 1.00 0.00 C ATOM 614 CG2 VAL A 38 -25.763 73.549 28.391 1.00 0.00 C ATOM 0 H VAL A 38 -24.528 73.910 31.306 1.00 0.00 H new ATOM 0 HA VAL A 38 -26.355 71.933 30.246 1.00 0.00 H new ATOM 0 HB VAL A 38 -23.909 73.533 29.523 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -23.515 72.379 27.391 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -23.135 71.349 28.792 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -24.642 71.092 27.881 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -25.333 74.030 27.513 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -26.517 72.827 28.077 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -26.226 74.303 29.028 1.00 0.00 H new ATOM 624 N ILE A 39 -23.365 70.831 31.078 1.00 0.00 N ATOM 625 CA ILE A 39 -22.609 69.559 31.325 1.00 0.00 C ATOM 626 C ILE A 39 -23.296 68.746 32.418 1.00 0.00 C ATOM 627 O ILE A 39 -23.362 67.533 32.369 1.00 0.00 O ATOM 628 CB ILE A 39 -21.155 69.848 31.719 1.00 0.00 C ATOM 629 CG1 ILE A 39 -20.592 71.019 30.918 1.00 0.00 C ATOM 630 CG2 ILE A 39 -20.293 68.610 31.435 1.00 0.00 C ATOM 631 CD1 ILE A 39 -19.146 71.203 31.306 1.00 0.00 C ATOM 0 H ILE A 39 -22.823 71.685 31.213 1.00 0.00 H new ATOM 0 HA ILE A 39 -22.602 68.983 30.400 1.00 0.00 H new ATOM 0 HB ILE A 39 -21.136 70.098 32.780 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -20.677 70.824 29.849 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -21.159 71.927 31.123 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -19.259 68.814 31.715 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -20.666 67.766 32.015 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -20.341 68.369 30.373 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -18.722 72.036 30.745 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -19.080 71.413 32.373 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -18.590 70.293 31.080 1.00 0.00 H new ATOM 643 N ASN A 40 -23.821 69.424 33.385 1.00 0.00 N ATOM 644 CA ASN A 40 -24.539 68.755 34.500 1.00 0.00 C ATOM 645 C ASN A 40 -25.802 68.098 33.953 1.00 0.00 C ATOM 646 O ASN A 40 -26.195 67.029 34.380 1.00 0.00 O ATOM 647 CB ASN A 40 -24.945 69.810 35.520 1.00 0.00 C ATOM 648 CG ASN A 40 -23.695 70.487 36.086 1.00 0.00 C ATOM 649 OD1 ASN A 40 -22.633 69.898 36.119 1.00 0.00 O ATOM 650 ND2 ASN A 40 -23.777 71.709 36.536 1.00 0.00 N ATOM 0 H ASN A 40 -23.784 70.441 33.455 1.00 0.00 H new ATOM 0 HA ASN A 40 -23.896 68.006 34.962 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -25.592 70.552 35.052 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -25.518 69.350 36.325 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -22.950 72.169 36.915 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -24.668 72.204 36.508 1.00 0.00 H new ATOM 657 N GLU A 41 -26.443 68.740 33.006 1.00 0.00 N ATOM 658 CA GLU A 41 -27.694 68.167 32.417 1.00 0.00 C ATOM 659 C GLU A 41 -27.417 66.770 31.847 1.00 0.00 C ATOM 660 O GLU A 41 -28.320 65.973 31.678 1.00 0.00 O ATOM 661 CB GLU A 41 -28.202 69.082 31.300 1.00 0.00 C ATOM 662 CG GLU A 41 -28.750 70.377 31.907 1.00 0.00 C ATOM 663 CD GLU A 41 -30.272 70.280 32.038 1.00 0.00 C ATOM 664 OE1 GLU A 41 -30.945 70.458 31.036 1.00 0.00 O ATOM 665 OE2 GLU A 41 -30.737 70.029 33.137 1.00 0.00 O ATOM 0 H GLU A 41 -26.153 69.637 32.615 1.00 0.00 H new ATOM 0 HA GLU A 41 -28.450 68.090 33.199 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -27.393 69.308 30.605 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -28.982 68.578 30.729 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -28.301 70.550 32.885 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -28.483 71.227 31.279 1.00 0.00 H new ATOM 672 N SER A 42 -26.173 66.466 31.553 1.00 0.00 N ATOM 673 CA SER A 42 -25.832 65.119 30.999 1.00 0.00 C ATOM 674 C SER A 42 -26.306 64.023 31.960 1.00 0.00 C ATOM 675 O SER A 42 -27.017 63.114 31.575 1.00 0.00 O ATOM 676 CB SER A 42 -24.317 65.011 30.824 1.00 0.00 C ATOM 677 OG SER A 42 -24.012 63.868 30.034 1.00 0.00 O ATOM 0 H SER A 42 -25.379 67.095 31.674 1.00 0.00 H new ATOM 0 HA SER A 42 -26.327 64.994 30.036 1.00 0.00 H new ATOM 0 HB2 SER A 42 -23.930 65.911 30.346 1.00 0.00 H new ATOM 0 HB3 SER A 42 -23.832 64.934 31.797 1.00 0.00 H new ATOM 0 HG SER A 42 -23.218 63.423 30.396 1.00 0.00 H new ATOM 683 N ASN A 43 -25.916 64.107 33.207 1.00 0.00 N ATOM 684 CA ASN A 43 -26.338 63.077 34.201 1.00 0.00 C ATOM 685 C ASN A 43 -27.517 63.609 35.018 1.00 0.00 C ATOM 686 O ASN A 43 -28.065 62.846 35.796 1.00 0.00 O ATOM 687 CB ASN A 43 -25.168 62.763 35.137 1.00 0.00 C ATOM 688 CG ASN A 43 -24.645 64.060 35.756 1.00 0.00 C ATOM 689 OD1 ASN A 43 -25.410 64.854 36.268 1.00 0.00 O ATOM 690 ND2 ASN A 43 -23.365 64.311 35.731 1.00 0.00 N ATOM 691 OXT ASN A 43 -27.851 64.770 34.851 1.00 0.00 O ATOM 0 H ASN A 43 -25.322 64.848 33.579 1.00 0.00 H new ATOM 0 HA ASN A 43 -26.639 62.169 33.678 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -25.490 62.078 35.921 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -24.371 62.264 34.585 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -23.006 65.173 36.141 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -22.723 63.645 35.301 1.00 0.00 H new TER 698 ASN A 43