USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 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 45 MET CE :methyl -127:sc= -5.27! (180deg=-6.14!) USER MOD Set 1.2: A 81 MET CE :methyl 157:sc= -0.325 (180deg=-0.00216) USER MOD Set 2.1: A 69 SER OG : rot 114:sc= -0.257 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0.149 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= -0.707 (180deg=-2.27!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00796) USER MOD Single : A 11 GLN : amide:sc= -1.02 X(o=-1,f=-0.82) USER MOD Single : A 13 THR OG1 : rot -103:sc= 0.0789 USER MOD Single : A 16 GLN : amide:sc= -2.25 K(o=-2.2,f=-0.52) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.417 X(o=0.42,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 104:sc= 0.885 USER MOD Single : A 37 SER OG : rot 180:sc= 0.168 USER MOD Single : A 38 THR OG1 : rot 180:sc= -4.36! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 156:sc= -0.283 (180deg=-0.7) USER MOD Single : A 50 GLN : amide:sc= -0.286 K(o=-0.29,f=-3!) USER MOD Single : A 51 ASN : amide:sc= -0.215 K(o=-0.22,f=1) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.471 USER MOD Single : A 58 GLN : amide:sc= -3.75! C(o=-3.7!,f=-4!) USER MOD Single : A 60 MET CE :methyl 147:sc= -0.4 (180deg=-0.854) USER MOD Single : A 80 MET CE :methyl 138:sc= -0.514 (180deg=-3.25!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -170:sc= -0.15 (180deg=-0.222) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 95:sc= 0.18 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 72.556 -0.754 17.433 1.00 4.64 N ATOM 2 CA MET A 1 73.361 -0.074 16.377 1.00 4.12 C ATOM 3 C MET A 1 74.796 -0.603 16.382 1.00 3.48 C ATOM 4 O MET A 1 75.348 -0.921 17.418 1.00 3.58 O ATOM 5 CB MET A 1 73.335 1.408 16.752 1.00 4.98 C ATOM 6 CG MET A 1 73.924 1.591 18.151 1.00 5.66 C ATOM 7 SD MET A 1 72.930 2.791 19.073 1.00 6.61 S ATOM 8 CE MET A 1 71.993 1.598 20.059 1.00 7.61 C ATOM 0 H1 MET A 1 71.795 -0.121 17.751 1.00 4.64 H new ATOM 0 H2 MET A 1 72.142 -1.626 17.046 1.00 4.64 H new ATOM 0 H3 MET A 1 73.169 -0.990 18.239 1.00 4.64 H new ATOM 0 HA MET A 1 72.962 -0.249 15.378 1.00 4.12 H new ATOM 0 HB2 MET A 1 73.906 1.988 16.027 1.00 4.98 H new ATOM 0 HB3 MET A 1 72.312 1.783 16.725 1.00 4.98 H new ATOM 0 HG2 MET A 1 73.942 0.637 18.677 1.00 5.66 H new ATOM 0 HG3 MET A 1 74.956 1.935 18.081 1.00 5.66 H new ATOM 0 HE1 MET A 1 71.303 2.130 20.714 1.00 7.61 H new ATOM 0 HE2 MET A 1 71.430 0.940 19.396 1.00 7.61 H new ATOM 0 HE3 MET A 1 72.680 1.004 20.661 1.00 7.61 H new ATOM 20 N ASP A 2 75.407 -0.701 15.233 1.00 3.24 N ATOM 21 CA ASP A 2 76.807 -1.209 15.174 1.00 2.87 C ATOM 22 C ASP A 2 77.444 -0.856 13.827 1.00 2.07 C ATOM 23 O ASP A 2 76.766 -0.503 12.882 1.00 2.09 O ATOM 24 CB ASP A 2 76.684 -2.726 15.329 1.00 3.39 C ATOM 25 CG ASP A 2 77.638 -3.208 16.424 1.00 4.29 C ATOM 26 OD1 ASP A 2 78.491 -2.432 16.822 1.00 4.75 O ATOM 27 OD2 ASP A 2 77.500 -4.345 16.845 1.00 4.77 O ATOM 0 H ASP A 2 74.997 -0.451 14.333 1.00 3.24 H new ATOM 0 HA ASP A 2 77.438 -0.770 15.946 1.00 2.87 H new ATOM 0 HB2 ASP A 2 75.658 -2.994 15.582 1.00 3.39 H new ATOM 0 HB3 ASP A 2 76.919 -3.219 14.385 1.00 3.39 H new ATOM 32 N ASP A 3 78.743 -0.947 13.733 1.00 1.76 N ATOM 33 CA ASP A 3 79.424 -0.617 12.448 1.00 1.28 C ATOM 34 C ASP A 3 79.586 -1.886 11.598 1.00 1.35 C ATOM 35 O ASP A 3 78.630 -2.593 11.349 1.00 1.53 O ATOM 36 CB ASP A 3 80.784 -0.052 12.865 1.00 1.32 C ATOM 37 CG ASP A 3 80.591 0.975 13.983 1.00 2.14 C ATOM 38 OD1 ASP A 3 80.213 0.572 15.072 1.00 2.66 O ATOM 39 OD2 ASP A 3 80.824 2.146 13.732 1.00 2.84 O ATOM 0 H ASP A 3 79.362 -1.236 14.490 1.00 1.76 H new ATOM 0 HA ASP A 3 78.862 0.092 11.841 1.00 1.28 H new ATOM 0 HB2 ASP A 3 81.435 -0.857 13.205 1.00 1.32 H new ATOM 0 HB3 ASP A 3 81.274 0.414 12.010 1.00 1.32 H new ATOM 44 N ILE A 4 80.784 -2.178 11.149 1.00 1.45 N ATOM 45 CA ILE A 4 81.008 -3.400 10.316 1.00 1.66 C ATOM 46 C ILE A 4 80.236 -3.307 8.998 1.00 1.48 C ATOM 47 O ILE A 4 80.818 -3.239 7.933 1.00 1.58 O ATOM 48 CB ILE A 4 80.497 -4.569 11.162 1.00 1.89 C ATOM 49 CG1 ILE A 4 81.189 -4.551 12.527 1.00 2.25 C ATOM 50 CG2 ILE A 4 80.812 -5.887 10.451 1.00 1.95 C ATOM 51 CD1 ILE A 4 80.628 -5.675 13.400 1.00 2.30 C ATOM 0 H ILE A 4 81.619 -1.619 11.325 1.00 1.45 H new ATOM 0 HA ILE A 4 82.059 -3.521 10.052 1.00 1.66 H new ATOM 0 HB ILE A 4 79.420 -4.476 11.298 1.00 1.89 H new ATOM 0 HG12 ILE A 4 82.265 -4.676 12.403 1.00 2.25 H new ATOM 0 HG13 ILE A 4 81.034 -3.587 13.012 1.00 2.25 H new ATOM 0 HG21 ILE A 4 80.449 -6.721 11.052 1.00 1.95 H new ATOM 0 HG22 ILE A 4 80.322 -5.901 9.477 1.00 1.95 H new ATOM 0 HG23 ILE A 4 81.890 -5.979 10.316 1.00 1.95 H new ATOM 0 HD11 ILE A 4 81.121 -5.662 14.372 1.00 2.30 H new ATOM 0 HD12 ILE A 4 79.556 -5.530 13.535 1.00 2.30 H new ATOM 0 HD13 ILE A 4 80.806 -6.635 12.916 1.00 2.30 H new ATOM 63 N TYR A 5 78.934 -3.306 9.056 1.00 1.29 N ATOM 64 CA TYR A 5 78.135 -3.222 7.799 1.00 1.15 C ATOM 65 C TYR A 5 78.506 -1.960 7.018 1.00 1.04 C ATOM 66 O TYR A 5 78.266 -1.861 5.831 1.00 1.02 O ATOM 67 CB TYR A 5 76.677 -3.164 8.255 1.00 1.16 C ATOM 68 CG TYR A 5 76.155 -4.568 8.447 1.00 1.39 C ATOM 69 CD1 TYR A 5 76.335 -5.218 9.673 1.00 1.89 C ATOM 70 CD2 TYR A 5 75.494 -5.219 7.399 1.00 1.97 C ATOM 71 CE1 TYR A 5 75.854 -6.520 9.851 1.00 2.12 C ATOM 72 CE2 TYR A 5 75.012 -6.521 7.577 1.00 2.21 C ATOM 73 CZ TYR A 5 75.193 -7.172 8.803 1.00 1.97 C ATOM 74 OH TYR A 5 74.719 -8.456 8.980 1.00 2.28 O ATOM 0 H TYR A 5 78.388 -3.359 9.916 1.00 1.29 H new ATOM 0 HA TYR A 5 78.319 -4.068 7.137 1.00 1.15 H new ATOM 0 HB2 TYR A 5 76.598 -2.604 9.187 1.00 1.16 H new ATOM 0 HB3 TYR A 5 76.074 -2.638 7.515 1.00 1.16 H new ATOM 0 HD1 TYR A 5 76.845 -4.715 10.481 1.00 1.89 H new ATOM 0 HD2 TYR A 5 75.356 -4.717 6.453 1.00 1.97 H new ATOM 0 HE1 TYR A 5 75.993 -7.022 10.797 1.00 2.12 H new ATOM 0 HE2 TYR A 5 74.501 -7.023 6.769 1.00 2.21 H new ATOM 0 HH TYR A 5 74.285 -8.761 8.156 1.00 2.28 H new ATOM 84 N LYS A 6 79.094 -0.994 7.671 1.00 1.08 N ATOM 85 CA LYS A 6 79.481 0.255 6.955 1.00 1.15 C ATOM 86 C LYS A 6 80.605 -0.039 5.960 1.00 1.34 C ATOM 87 O LYS A 6 80.849 0.716 5.040 1.00 1.48 O ATOM 88 CB LYS A 6 79.959 1.214 8.050 1.00 1.28 C ATOM 89 CG LYS A 6 81.346 0.792 8.549 1.00 1.93 C ATOM 90 CD LYS A 6 81.961 1.928 9.367 1.00 2.17 C ATOM 91 CE LYS A 6 83.410 1.579 9.719 1.00 3.13 C ATOM 92 NZ LYS A 6 84.210 2.034 8.547 1.00 3.45 N ATOM 0 H LYS A 6 79.322 -1.015 8.665 1.00 1.08 H new ATOM 0 HA LYS A 6 78.655 0.679 6.384 1.00 1.15 H new ATOM 0 HB2 LYS A 6 79.997 2.232 7.662 1.00 1.28 H new ATOM 0 HB3 LYS A 6 79.250 1.215 8.878 1.00 1.28 H new ATOM 0 HG2 LYS A 6 81.266 -0.108 9.159 1.00 1.93 H new ATOM 0 HG3 LYS A 6 81.990 0.548 7.704 1.00 1.93 H new ATOM 0 HD2 LYS A 6 81.928 2.858 8.800 1.00 2.17 H new ATOM 0 HD3 LYS A 6 81.383 2.089 10.277 1.00 2.17 H new ATOM 0 HE2 LYS A 6 83.727 2.082 10.633 1.00 3.13 H new ATOM 0 HE3 LYS A 6 83.529 0.509 9.887 1.00 3.13 H new ATOM 0 HZ1 LYS A 6 85.060 1.441 8.455 1.00 3.45 H new ATOM 0 HZ2 LYS A 6 83.637 1.953 7.683 1.00 3.45 H new ATOM 0 HZ3 LYS A 6 84.493 3.025 8.684 1.00 3.45 H new ATOM 106 N ALA A 7 81.292 -1.135 6.137 1.00 1.45 N ATOM 107 CA ALA A 7 82.400 -1.481 5.202 1.00 1.74 C ATOM 108 C ALA A 7 81.831 -2.054 3.901 1.00 1.74 C ATOM 109 O ALA A 7 82.234 -1.680 2.818 1.00 1.92 O ATOM 110 CB ALA A 7 83.223 -2.537 5.941 1.00 1.95 C ATOM 0 H ALA A 7 81.134 -1.806 6.889 1.00 1.45 H new ATOM 0 HA ALA A 7 83.001 -0.613 4.930 1.00 1.74 H new ATOM 0 HB1 ALA A 7 84.062 -2.846 5.318 1.00 1.95 H new ATOM 0 HB2 ALA A 7 83.599 -2.118 6.874 1.00 1.95 H new ATOM 0 HB3 ALA A 7 82.595 -3.401 6.159 1.00 1.95 H new ATOM 116 N ALA A 8 80.898 -2.960 3.999 1.00 1.60 N ATOM 117 CA ALA A 8 80.305 -3.556 2.768 1.00 1.68 C ATOM 118 C ALA A 8 79.754 -2.452 1.860 1.00 1.49 C ATOM 119 O ALA A 8 79.956 -2.461 0.663 1.00 1.62 O ATOM 120 CB ALA A 8 79.175 -4.455 3.267 1.00 1.71 C ATOM 0 H ALA A 8 80.520 -3.314 4.878 1.00 1.60 H new ATOM 0 HA ALA A 8 81.038 -4.112 2.183 1.00 1.68 H new ATOM 0 HB1 ALA A 8 78.687 -4.932 2.417 1.00 1.71 H new ATOM 0 HB2 ALA A 8 79.583 -5.220 3.927 1.00 1.71 H new ATOM 0 HB3 ALA A 8 78.447 -3.855 3.813 1.00 1.71 H new ATOM 126 N VAL A 9 79.058 -1.501 2.423 1.00 1.25 N ATOM 127 CA VAL A 9 78.493 -0.398 1.593 1.00 1.20 C ATOM 128 C VAL A 9 79.610 0.301 0.812 1.00 1.40 C ATOM 129 O VAL A 9 79.516 0.494 -0.385 1.00 1.41 O ATOM 130 CB VAL A 9 77.857 0.565 2.596 1.00 1.13 C ATOM 131 CG1 VAL A 9 77.209 1.730 1.846 1.00 1.83 C ATOM 132 CG2 VAL A 9 76.789 -0.173 3.407 1.00 1.52 C ATOM 0 H VAL A 9 78.856 -1.440 3.421 1.00 1.25 H new ATOM 0 HA VAL A 9 77.771 -0.759 0.860 1.00 1.20 H new ATOM 0 HB VAL A 9 78.626 0.947 3.268 1.00 1.13 H new ATOM 0 HG11 VAL A 9 76.756 2.416 2.561 1.00 1.83 H new ATOM 0 HG12 VAL A 9 77.968 2.257 1.268 1.00 1.83 H new ATOM 0 HG13 VAL A 9 76.441 1.348 1.173 1.00 1.83 H new ATOM 0 HG21 VAL A 9 76.336 0.514 4.122 1.00 1.52 H new ATOM 0 HG22 VAL A 9 76.021 -0.556 2.735 1.00 1.52 H new ATOM 0 HG23 VAL A 9 77.248 -1.004 3.943 1.00 1.52 H new ATOM 142 N GLU A 10 80.665 0.683 1.480 1.00 1.64 N ATOM 143 CA GLU A 10 81.784 1.372 0.776 1.00 1.94 C ATOM 144 C GLU A 10 82.572 0.375 -0.080 1.00 1.97 C ATOM 145 O GLU A 10 83.478 0.744 -0.801 1.00 2.19 O ATOM 146 CB GLU A 10 82.665 1.933 1.892 1.00 2.23 C ATOM 147 CG GLU A 10 83.341 3.218 1.412 1.00 2.75 C ATOM 148 CD GLU A 10 84.717 3.348 2.067 1.00 3.11 C ATOM 149 OE1 GLU A 10 84.944 2.677 3.061 1.00 3.61 O ATOM 150 OE2 GLU A 10 85.522 4.115 1.565 1.00 3.35 O ATOM 0 H GLU A 10 80.800 0.548 2.482 1.00 1.64 H new ATOM 0 HA GLU A 10 81.428 2.152 0.103 1.00 1.94 H new ATOM 0 HB2 GLU A 10 82.063 2.135 2.778 1.00 2.23 H new ATOM 0 HB3 GLU A 10 83.418 1.199 2.179 1.00 2.23 H new ATOM 0 HG2 GLU A 10 83.443 3.204 0.327 1.00 2.75 H new ATOM 0 HG3 GLU A 10 82.724 4.081 1.663 1.00 2.75 H new ATOM 157 N GLN A 11 82.239 -0.884 -0.005 1.00 1.87 N ATOM 158 CA GLN A 11 82.975 -1.898 -0.816 1.00 2.00 C ATOM 159 C GLN A 11 82.364 -2.001 -2.216 1.00 1.46 C ATOM 160 O GLN A 11 82.940 -2.583 -3.114 1.00 1.69 O ATOM 161 CB GLN A 11 82.804 -3.214 -0.058 1.00 2.54 C ATOM 162 CG GLN A 11 84.178 -3.747 0.354 1.00 3.27 C ATOM 163 CD GLN A 11 84.063 -4.464 1.701 1.00 3.83 C ATOM 164 OE1 GLN A 11 84.182 -5.671 1.771 1.00 4.41 O ATOM 165 NE2 GLN A 11 83.836 -3.768 2.781 1.00 3.95 N ATOM 0 H GLN A 11 81.491 -1.255 0.581 1.00 1.87 H new ATOM 0 HA GLN A 11 84.025 -1.638 -0.947 1.00 2.00 H new ATOM 0 HB2 GLN A 11 82.182 -3.060 0.824 1.00 2.54 H new ATOM 0 HB3 GLN A 11 82.292 -3.944 -0.685 1.00 2.54 H new ATOM 0 HG2 GLN A 11 84.556 -4.433 -0.404 1.00 3.27 H new ATOM 0 HG3 GLN A 11 84.892 -2.926 0.426 1.00 3.27 H new ATOM 0 HE21 GLN A 11 83.736 -2.755 2.723 1.00 3.95 H new ATOM 0 HE22 GLN A 11 83.759 -4.237 3.683 1.00 3.95 H new ATOM 174 N LEU A 12 81.203 -1.439 -2.410 1.00 1.14 N ATOM 175 CA LEU A 12 80.556 -1.506 -3.751 1.00 1.23 C ATOM 176 C LEU A 12 81.368 -0.701 -4.770 1.00 1.75 C ATOM 177 O LEU A 12 81.872 0.364 -4.474 1.00 2.52 O ATOM 178 CB LEU A 12 79.172 -0.887 -3.552 1.00 1.10 C ATOM 179 CG LEU A 12 78.405 -1.687 -2.498 1.00 1.16 C ATOM 180 CD1 LEU A 12 77.175 -0.896 -2.047 1.00 1.74 C ATOM 181 CD2 LEU A 12 77.960 -3.023 -3.099 1.00 1.62 C ATOM 0 H LEU A 12 80.674 -0.936 -1.698 1.00 1.14 H new ATOM 0 HA LEU A 12 80.494 -2.525 -4.132 1.00 1.23 H new ATOM 0 HB2 LEU A 12 79.268 0.152 -3.237 1.00 1.10 H new ATOM 0 HB3 LEU A 12 78.623 -0.885 -4.494 1.00 1.10 H new ATOM 0 HG LEU A 12 79.052 -1.870 -1.640 1.00 1.16 H new ATOM 0 HD11 LEU A 12 76.630 -1.468 -1.296 1.00 1.74 H new ATOM 0 HD12 LEU A 12 77.491 0.056 -1.620 1.00 1.74 H new ATOM 0 HD13 LEU A 12 76.527 -0.712 -2.904 1.00 1.74 H new ATOM 0 HD21 LEU A 12 77.413 -3.595 -2.349 1.00 1.62 H new ATOM 0 HD22 LEU A 12 77.314 -2.839 -3.957 1.00 1.62 H new ATOM 0 HD23 LEU A 12 78.836 -3.588 -3.419 1.00 1.62 H new ATOM 193 N THR A 13 81.499 -1.203 -5.967 1.00 1.74 N ATOM 194 CA THR A 13 82.279 -0.468 -7.004 1.00 2.37 C ATOM 195 C THR A 13 81.548 0.815 -7.408 1.00 2.28 C ATOM 196 O THR A 13 80.334 0.882 -7.389 1.00 1.84 O ATOM 197 CB THR A 13 82.366 -1.432 -8.189 1.00 2.87 C ATOM 198 OG1 THR A 13 81.192 -2.231 -8.234 1.00 2.80 O ATOM 199 CG2 THR A 13 83.594 -2.332 -8.029 1.00 3.47 C ATOM 0 H THR A 13 81.100 -2.091 -6.272 1.00 1.74 H new ATOM 0 HA THR A 13 83.265 -0.171 -6.646 1.00 2.37 H new ATOM 0 HB THR A 13 82.454 -0.864 -9.115 1.00 2.87 H new ATOM 0 HG1 THR A 13 81.392 -3.126 -7.887 1.00 2.80 H new ATOM 0 HG21 THR A 13 83.655 -3.018 -8.874 1.00 3.47 H new ATOM 0 HG22 THR A 13 84.494 -1.717 -7.995 1.00 3.47 H new ATOM 0 HG23 THR A 13 83.509 -2.902 -7.104 1.00 3.47 H new ATOM 207 N GLU A 14 82.277 1.834 -7.774 1.00 2.79 N ATOM 208 CA GLU A 14 81.624 3.112 -8.179 1.00 2.85 C ATOM 209 C GLU A 14 80.596 2.850 -9.283 1.00 2.54 C ATOM 210 O GLU A 14 79.527 3.429 -9.300 1.00 2.21 O ATOM 211 CB GLU A 14 82.760 3.989 -8.703 1.00 3.57 C ATOM 212 CG GLU A 14 83.170 4.995 -7.623 1.00 3.91 C ATOM 213 CD GLU A 14 84.584 4.675 -7.138 1.00 4.24 C ATOM 214 OE1 GLU A 14 85.487 4.687 -7.958 1.00 4.48 O ATOM 215 OE2 GLU A 14 84.740 4.425 -5.954 1.00 4.66 O ATOM 0 H GLU A 14 83.296 1.837 -7.810 1.00 2.79 H new ATOM 0 HA GLU A 14 81.093 3.585 -7.353 1.00 2.85 H new ATOM 0 HB2 GLU A 14 83.613 3.370 -8.981 1.00 3.57 H new ATOM 0 HB3 GLU A 14 82.442 4.515 -9.603 1.00 3.57 H new ATOM 0 HG2 GLU A 14 83.132 6.009 -8.022 1.00 3.91 H new ATOM 0 HG3 GLU A 14 82.470 4.954 -6.788 1.00 3.91 H new ATOM 222 N GLU A 15 80.910 1.983 -10.207 1.00 2.73 N ATOM 223 CA GLU A 15 79.950 1.685 -11.308 1.00 2.59 C ATOM 224 C GLU A 15 78.660 1.087 -10.738 1.00 2.19 C ATOM 225 O GLU A 15 77.611 1.155 -11.347 1.00 2.08 O ATOM 226 CB GLU A 15 80.667 0.665 -12.194 1.00 3.01 C ATOM 227 CG GLU A 15 81.233 -0.458 -11.323 1.00 3.67 C ATOM 228 CD GLU A 15 80.750 -1.809 -11.854 1.00 4.32 C ATOM 229 OE1 GLU A 15 79.700 -2.252 -11.420 1.00 4.98 O ATOM 230 OE2 GLU A 15 81.441 -2.378 -12.683 1.00 4.51 O ATOM 0 H GLU A 15 81.790 1.468 -10.247 1.00 2.73 H new ATOM 0 HA GLU A 15 79.668 2.580 -11.863 1.00 2.59 H new ATOM 0 HB2 GLU A 15 79.974 0.256 -12.929 1.00 3.01 H new ATOM 0 HB3 GLU A 15 81.470 1.150 -12.748 1.00 3.01 H new ATOM 0 HG2 GLU A 15 82.322 -0.422 -11.327 1.00 3.67 H new ATOM 0 HG3 GLU A 15 80.914 -0.327 -10.289 1.00 3.67 H new ATOM 237 N GLN A 16 78.730 0.504 -9.573 1.00 2.04 N ATOM 238 CA GLN A 16 77.508 -0.096 -8.965 1.00 1.73 C ATOM 239 C GLN A 16 76.660 0.994 -8.302 1.00 1.35 C ATOM 240 O GLN A 16 75.570 1.300 -8.744 1.00 1.17 O ATOM 241 CB GLN A 16 78.028 -1.080 -7.918 1.00 1.74 C ATOM 242 CG GLN A 16 76.855 -1.859 -7.318 1.00 2.16 C ATOM 243 CD GLN A 16 77.280 -3.306 -7.061 1.00 2.30 C ATOM 244 OE1 GLN A 16 76.896 -4.202 -7.784 1.00 3.06 O ATOM 245 NE2 GLN A 16 78.063 -3.572 -6.050 1.00 2.19 N ATOM 0 H GLN A 16 79.580 0.417 -9.016 1.00 2.04 H new ATOM 0 HA GLN A 16 76.876 -0.586 -9.705 1.00 1.73 H new ATOM 0 HB2 GLN A 16 78.740 -1.768 -8.373 1.00 1.74 H new ATOM 0 HB3 GLN A 16 78.561 -0.543 -7.133 1.00 1.74 H new ATOM 0 HG2 GLN A 16 76.534 -1.393 -6.387 1.00 2.16 H new ATOM 0 HG3 GLN A 16 76.003 -1.834 -7.997 1.00 2.16 H new ATOM 0 HE21 GLN A 16 78.385 -2.819 -5.443 1.00 2.19 H new ATOM 0 HE22 GLN A 16 78.352 -4.533 -5.868 1.00 2.19 H new ATOM 254 N LYS A 17 77.152 1.581 -7.246 1.00 1.41 N ATOM 255 CA LYS A 17 76.376 2.651 -6.556 1.00 1.21 C ATOM 256 C LYS A 17 75.840 3.660 -7.576 1.00 1.08 C ATOM 257 O LYS A 17 74.866 4.344 -7.333 1.00 0.97 O ATOM 258 CB LYS A 17 77.377 3.323 -5.616 1.00 1.52 C ATOM 259 CG LYS A 17 77.157 2.818 -4.189 1.00 2.28 C ATOM 260 CD LYS A 17 78.506 2.477 -3.555 1.00 2.64 C ATOM 261 CE LYS A 17 79.336 3.754 -3.408 1.00 2.74 C ATOM 262 NZ LYS A 17 80.749 3.315 -3.581 1.00 2.91 N ATOM 0 H LYS A 17 78.058 1.366 -6.830 1.00 1.41 H new ATOM 0 HA LYS A 17 75.514 2.254 -6.020 1.00 1.21 H new ATOM 0 HB2 LYS A 17 78.396 3.105 -5.937 1.00 1.52 H new ATOM 0 HB3 LYS A 17 77.256 4.406 -5.653 1.00 1.52 H new ATOM 0 HG2 LYS A 17 76.647 3.578 -3.597 1.00 2.28 H new ATOM 0 HG3 LYS A 17 76.515 1.937 -4.198 1.00 2.28 H new ATOM 0 HD2 LYS A 17 78.355 2.014 -2.580 1.00 2.64 H new ATOM 0 HD3 LYS A 17 79.038 1.753 -4.173 1.00 2.64 H new ATOM 0 HE2 LYS A 17 79.058 4.494 -4.158 1.00 2.74 H new ATOM 0 HE3 LYS A 17 79.182 4.215 -2.432 1.00 2.74 H new ATOM 0 HZ1 LYS A 17 81.381 4.136 -3.494 1.00 2.91 H new ATOM 0 HZ2 LYS A 17 80.987 2.615 -2.849 1.00 2.91 H new ATOM 0 HZ3 LYS A 17 80.867 2.886 -4.521 1.00 2.91 H new ATOM 276 N ASN A 18 76.468 3.758 -8.715 1.00 1.19 N ATOM 277 CA ASN A 18 75.995 4.724 -9.748 1.00 1.13 C ATOM 278 C ASN A 18 74.655 4.266 -10.326 1.00 0.92 C ATOM 279 O ASN A 18 73.723 5.038 -10.447 1.00 0.77 O ATOM 280 CB ASN A 18 77.077 4.714 -10.826 1.00 1.38 C ATOM 281 CG ASN A 18 77.779 6.073 -10.859 1.00 1.81 C ATOM 282 OD1 ASN A 18 77.253 7.028 -11.394 1.00 1.98 O ATOM 283 ND2 ASN A 18 78.953 6.200 -10.303 1.00 2.51 N ATOM 0 H ASN A 18 77.289 3.211 -8.976 1.00 1.19 H new ATOM 0 HA ASN A 18 75.839 5.722 -9.339 1.00 1.13 H new ATOM 0 HB2 ASN A 18 77.800 3.924 -10.623 1.00 1.38 H new ATOM 0 HB3 ASN A 18 76.634 4.498 -11.798 1.00 1.38 H new ATOM 0 HD21 ASN A 18 79.429 7.102 -10.318 1.00 2.51 H new ATOM 0 HD22 ASN A 18 79.394 5.397 -9.854 1.00 2.51 H new ATOM 290 N GLU A 19 74.548 3.016 -10.685 1.00 1.02 N ATOM 291 CA GLU A 19 73.264 2.513 -11.254 1.00 0.98 C ATOM 292 C GLU A 19 72.155 2.605 -10.205 1.00 0.83 C ATOM 293 O GLU A 19 71.019 2.911 -10.512 1.00 0.82 O ATOM 294 CB GLU A 19 73.537 1.053 -11.618 1.00 1.25 C ATOM 295 CG GLU A 19 74.143 0.981 -13.021 1.00 1.54 C ATOM 296 CD GLU A 19 73.064 0.565 -14.022 1.00 2.01 C ATOM 297 OE1 GLU A 19 71.897 0.730 -13.707 1.00 2.48 O ATOM 298 OE2 GLU A 19 73.422 0.089 -15.086 1.00 2.60 O ATOM 0 H GLU A 19 75.292 2.322 -10.610 1.00 1.02 H new ATOM 0 HA GLU A 19 72.937 3.093 -12.117 1.00 0.98 H new ATOM 0 HB2 GLU A 19 74.218 0.608 -10.893 1.00 1.25 H new ATOM 0 HB3 GLU A 19 72.611 0.479 -11.580 1.00 1.25 H new ATOM 0 HG2 GLU A 19 74.558 1.950 -13.299 1.00 1.54 H new ATOM 0 HG3 GLU A 19 74.965 0.265 -13.037 1.00 1.54 H new ATOM 305 N PHE A 20 72.476 2.345 -8.967 1.00 0.83 N ATOM 306 CA PHE A 20 71.441 2.420 -7.897 1.00 0.78 C ATOM 307 C PHE A 20 71.082 3.880 -7.616 1.00 0.69 C ATOM 308 O PHE A 20 69.982 4.194 -7.205 1.00 0.74 O ATOM 309 CB PHE A 20 72.093 1.780 -6.670 1.00 0.94 C ATOM 310 CG PHE A 20 72.088 0.278 -6.819 1.00 1.20 C ATOM 311 CD1 PHE A 20 73.140 -0.364 -7.482 1.00 2.07 C ATOM 312 CD2 PHE A 20 71.029 -0.473 -6.293 1.00 1.96 C ATOM 313 CE1 PHE A 20 73.136 -1.757 -7.620 1.00 2.93 C ATOM 314 CE2 PHE A 20 71.025 -1.866 -6.431 1.00 2.88 C ATOM 315 CZ PHE A 20 72.077 -2.509 -7.094 1.00 3.19 C ATOM 0 H PHE A 20 73.410 2.084 -8.650 1.00 0.83 H new ATOM 0 HA PHE A 20 70.517 1.913 -8.176 1.00 0.78 H new ATOM 0 HB2 PHE A 20 73.115 2.141 -6.559 1.00 0.94 H new ATOM 0 HB3 PHE A 20 71.554 2.068 -5.768 1.00 0.94 H new ATOM 0 HD1 PHE A 20 73.956 0.216 -7.888 1.00 2.07 H new ATOM 0 HD2 PHE A 20 70.217 0.022 -5.782 1.00 1.96 H new ATOM 0 HE1 PHE A 20 73.948 -2.252 -8.131 1.00 2.93 H new ATOM 0 HE2 PHE A 20 70.209 -2.446 -6.025 1.00 2.88 H new ATOM 0 HZ PHE A 20 72.072 -3.584 -7.200 1.00 3.19 H new ATOM 325 N LYS A 21 72.005 4.777 -7.833 1.00 0.73 N ATOM 326 CA LYS A 21 71.723 6.219 -7.579 1.00 0.83 C ATOM 327 C LYS A 21 70.536 6.688 -8.425 1.00 0.81 C ATOM 328 O LYS A 21 69.550 7.179 -7.912 1.00 0.97 O ATOM 329 CB LYS A 21 73.000 6.948 -7.996 1.00 1.00 C ATOM 330 CG LYS A 21 72.776 8.460 -7.925 1.00 1.37 C ATOM 331 CD LYS A 21 74.125 9.171 -7.801 1.00 1.81 C ATOM 332 CE LYS A 21 74.098 10.464 -8.619 1.00 2.52 C ATOM 333 NZ LYS A 21 74.647 10.087 -9.951 1.00 3.32 N ATOM 0 H LYS A 21 72.944 4.573 -8.176 1.00 0.73 H new ATOM 0 HA LYS A 21 71.462 6.411 -6.538 1.00 0.83 H new ATOM 0 HB2 LYS A 21 73.824 6.661 -7.342 1.00 1.00 H new ATOM 0 HB3 LYS A 21 73.281 6.659 -9.009 1.00 1.00 H new ATOM 0 HG2 LYS A 21 72.253 8.803 -8.818 1.00 1.37 H new ATOM 0 HG3 LYS A 21 72.144 8.705 -7.071 1.00 1.37 H new ATOM 0 HD2 LYS A 21 74.336 9.394 -6.755 1.00 1.81 H new ATOM 0 HD3 LYS A 21 74.925 8.521 -8.155 1.00 1.81 H new ATOM 0 HE2 LYS A 21 73.084 10.855 -8.706 1.00 2.52 H new ATOM 0 HE3 LYS A 21 74.701 11.241 -8.149 1.00 2.52 H new ATOM 0 HZ1 LYS A 21 74.661 10.923 -10.570 1.00 3.32 H new ATOM 0 HZ2 LYS A 21 75.615 9.724 -9.837 1.00 3.32 H new ATOM 0 HZ3 LYS A 21 74.049 9.350 -10.377 1.00 3.32 H new ATOM 347 N ALA A 22 70.622 6.541 -9.719 1.00 0.78 N ATOM 348 CA ALA A 22 69.500 6.980 -10.597 1.00 0.87 C ATOM 349 C ALA A 22 68.173 6.411 -10.086 1.00 0.81 C ATOM 350 O ALA A 22 67.296 7.139 -9.664 1.00 0.83 O ATOM 351 CB ALA A 22 69.829 6.413 -11.977 1.00 0.97 C ATOM 0 H ALA A 22 71.421 6.136 -10.206 1.00 0.78 H new ATOM 0 HA ALA A 22 69.394 8.065 -10.617 1.00 0.87 H new ATOM 0 HB1 ALA A 22 69.047 6.694 -12.682 1.00 0.97 H new ATOM 0 HB2 ALA A 22 70.784 6.813 -12.316 1.00 0.97 H new ATOM 0 HB3 ALA A 22 69.891 5.326 -11.919 1.00 0.97 H new ATOM 357 N ALA A 23 68.018 5.115 -10.124 1.00 0.80 N ATOM 358 CA ALA A 23 66.747 4.500 -9.643 1.00 0.81 C ATOM 359 C ALA A 23 66.425 4.988 -8.228 1.00 0.74 C ATOM 360 O ALA A 23 65.310 5.362 -7.928 1.00 0.77 O ATOM 361 CB ALA A 23 67.011 2.993 -9.642 1.00 0.89 C ATOM 0 H ALA A 23 68.716 4.455 -10.467 1.00 0.80 H new ATOM 0 HA ALA A 23 65.897 4.765 -10.272 1.00 0.81 H new ATOM 0 HB1 ALA A 23 66.120 2.468 -9.299 1.00 0.89 H new ATOM 0 HB2 ALA A 23 67.258 2.666 -10.652 1.00 0.89 H new ATOM 0 HB3 ALA A 23 67.843 2.770 -8.974 1.00 0.89 H new ATOM 367 N PHE A 24 67.393 4.989 -7.356 1.00 0.71 N ATOM 368 CA PHE A 24 67.136 5.453 -5.963 1.00 0.72 C ATOM 369 C PHE A 24 66.332 6.758 -5.979 1.00 0.71 C ATOM 370 O PHE A 24 65.367 6.913 -5.257 1.00 0.73 O ATOM 371 CB PHE A 24 68.521 5.687 -5.362 1.00 0.82 C ATOM 372 CG PHE A 24 68.385 6.461 -4.073 1.00 1.04 C ATOM 373 CD1 PHE A 24 68.209 7.850 -4.106 1.00 1.51 C ATOM 374 CD2 PHE A 24 68.432 5.791 -2.845 1.00 1.81 C ATOM 375 CE1 PHE A 24 68.079 8.568 -2.911 1.00 1.88 C ATOM 376 CE2 PHE A 24 68.303 6.508 -1.649 1.00 2.09 C ATOM 377 CZ PHE A 24 68.126 7.897 -1.683 1.00 1.85 C ATOM 0 H PHE A 24 68.349 4.690 -7.546 1.00 0.71 H new ATOM 0 HA PHE A 24 66.558 4.730 -5.388 1.00 0.72 H new ATOM 0 HB2 PHE A 24 69.014 4.733 -5.176 1.00 0.82 H new ATOM 0 HB3 PHE A 24 69.146 6.237 -6.065 1.00 0.82 H new ATOM 0 HD1 PHE A 24 68.174 8.367 -5.053 1.00 1.51 H new ATOM 0 HD2 PHE A 24 68.568 4.720 -2.820 1.00 1.81 H new ATOM 0 HE1 PHE A 24 67.943 9.639 -2.936 1.00 1.88 H new ATOM 0 HE2 PHE A 24 68.340 5.991 -0.702 1.00 2.09 H new ATOM 0 HZ PHE A 24 68.026 8.451 -0.761 1.00 1.85 H new ATOM 387 N ASP A 25 66.727 7.697 -6.794 1.00 0.81 N ATOM 388 CA ASP A 25 65.994 8.995 -6.856 1.00 0.97 C ATOM 389 C ASP A 25 64.630 8.821 -7.534 1.00 1.04 C ATOM 390 O ASP A 25 63.830 9.737 -7.573 1.00 1.23 O ATOM 391 CB ASP A 25 66.889 9.913 -7.688 1.00 1.18 C ATOM 392 CG ASP A 25 67.736 10.782 -6.756 1.00 1.57 C ATOM 393 OD1 ASP A 25 67.926 10.385 -5.618 1.00 2.18 O ATOM 394 OD2 ASP A 25 68.178 11.830 -7.196 1.00 1.98 O ATOM 0 H ASP A 25 67.528 7.622 -7.422 1.00 0.81 H new ATOM 0 HA ASP A 25 65.797 9.398 -5.862 1.00 0.97 H new ATOM 0 HB2 ASP A 25 67.534 9.320 -8.336 1.00 1.18 H new ATOM 0 HB3 ASP A 25 66.280 10.543 -8.336 1.00 1.18 H new ATOM 399 N ILE A 26 64.355 7.665 -8.075 1.00 0.99 N ATOM 400 CA ILE A 26 63.041 7.460 -8.751 1.00 1.18 C ATOM 401 C ILE A 26 61.971 7.033 -7.742 1.00 1.09 C ATOM 402 O ILE A 26 60.795 7.270 -7.935 1.00 1.23 O ATOM 403 CB ILE A 26 63.287 6.354 -9.773 1.00 1.38 C ATOM 404 CG1 ILE A 26 64.223 6.885 -10.867 1.00 1.55 C ATOM 405 CG2 ILE A 26 61.947 5.934 -10.382 1.00 1.60 C ATOM 406 CD1 ILE A 26 64.083 6.037 -12.133 1.00 1.61 C ATOM 0 H ILE A 26 64.979 6.858 -8.079 1.00 0.99 H new ATOM 0 HA ILE A 26 62.678 8.375 -9.218 1.00 1.18 H new ATOM 0 HB ILE A 26 63.750 5.491 -9.295 1.00 1.38 H new ATOM 0 HG12 ILE A 26 63.984 7.925 -11.088 1.00 1.55 H new ATOM 0 HG13 ILE A 26 65.255 6.862 -10.517 1.00 1.55 H new ATOM 0 HG21 ILE A 26 62.112 5.144 -11.114 1.00 1.60 H new ATOM 0 HG22 ILE A 26 61.288 5.568 -9.595 1.00 1.60 H new ATOM 0 HG23 ILE A 26 61.485 6.791 -10.872 1.00 1.60 H new ATOM 0 HD11 ILE A 26 64.751 6.421 -12.904 1.00 1.61 H new ATOM 0 HD12 ILE A 26 64.344 5.003 -11.909 1.00 1.61 H new ATOM 0 HD13 ILE A 26 63.054 6.082 -12.489 1.00 1.61 H new ATOM 418 N PHE A 27 62.365 6.405 -6.668 1.00 0.94 N ATOM 419 CA PHE A 27 61.362 5.967 -5.656 1.00 0.95 C ATOM 420 C PHE A 27 60.931 7.162 -4.803 1.00 0.79 C ATOM 421 O PHE A 27 59.910 7.134 -4.143 1.00 0.87 O ATOM 422 CB PHE A 27 62.091 4.926 -4.806 1.00 1.05 C ATOM 423 CG PHE A 27 62.838 3.973 -5.710 1.00 1.28 C ATOM 424 CD1 PHE A 27 62.132 3.088 -6.534 1.00 1.67 C ATOM 425 CD2 PHE A 27 64.237 3.977 -5.726 1.00 1.97 C ATOM 426 CE1 PHE A 27 62.827 2.206 -7.373 1.00 1.91 C ATOM 427 CE2 PHE A 27 64.932 3.098 -6.565 1.00 2.24 C ATOM 428 CZ PHE A 27 64.226 2.212 -7.387 1.00 1.91 C ATOM 0 H PHE A 27 63.334 6.177 -6.448 1.00 0.94 H new ATOM 0 HA PHE A 27 60.459 5.557 -6.108 1.00 0.95 H new ATOM 0 HB2 PHE A 27 62.785 5.418 -4.125 1.00 1.05 H new ATOM 0 HB3 PHE A 27 61.377 4.377 -4.192 1.00 1.05 H new ATOM 0 HD1 PHE A 27 61.052 3.085 -6.523 1.00 1.67 H new ATOM 0 HD2 PHE A 27 64.782 4.659 -5.090 1.00 1.97 H new ATOM 0 HE1 PHE A 27 62.283 1.522 -8.008 1.00 1.91 H new ATOM 0 HE2 PHE A 27 66.012 3.103 -6.578 1.00 2.24 H new ATOM 0 HZ PHE A 27 64.762 1.532 -8.033 1.00 1.91 H new ATOM 438 N VAL A 28 61.699 8.216 -4.819 1.00 0.76 N ATOM 439 CA VAL A 28 61.337 9.418 -4.020 1.00 0.78 C ATOM 440 C VAL A 28 60.374 10.304 -4.815 1.00 0.97 C ATOM 441 O VAL A 28 59.916 11.324 -4.339 1.00 1.39 O ATOM 442 CB VAL A 28 62.662 10.138 -3.783 1.00 0.77 C ATOM 443 CG1 VAL A 28 63.558 9.276 -2.894 1.00 1.33 C ATOM 444 CG2 VAL A 28 63.359 10.383 -5.125 1.00 1.34 C ATOM 0 H VAL A 28 62.564 8.296 -5.353 1.00 0.76 H new ATOM 0 HA VAL A 28 60.836 9.166 -3.085 1.00 0.78 H new ATOM 0 HB VAL A 28 62.473 11.093 -3.293 1.00 0.77 H new ATOM 0 HG11 VAL A 28 64.504 9.790 -2.724 1.00 1.33 H new ATOM 0 HG12 VAL A 28 63.063 9.102 -1.938 1.00 1.33 H new ATOM 0 HG13 VAL A 28 63.746 8.321 -3.384 1.00 1.33 H new ATOM 0 HG21 VAL A 28 64.305 10.897 -4.955 1.00 1.34 H new ATOM 0 HG22 VAL A 28 63.548 9.429 -5.616 1.00 1.34 H new ATOM 0 HG23 VAL A 28 62.721 10.998 -5.760 1.00 1.34 H new ATOM 454 N LEU A 29 60.065 9.921 -6.024 1.00 1.11 N ATOM 455 CA LEU A 29 59.131 10.739 -6.848 1.00 1.39 C ATOM 456 C LEU A 29 57.902 11.122 -6.023 1.00 1.56 C ATOM 457 O LEU A 29 56.942 10.382 -5.938 1.00 1.98 O ATOM 458 CB LEU A 29 58.739 9.835 -8.017 1.00 1.45 C ATOM 459 CG LEU A 29 59.479 10.285 -9.278 1.00 1.71 C ATOM 460 CD1 LEU A 29 58.893 11.611 -9.765 1.00 2.28 C ATOM 461 CD2 LEU A 29 60.964 10.472 -8.958 1.00 2.41 C ATOM 0 H LEU A 29 60.419 9.078 -6.476 1.00 1.11 H new ATOM 0 HA LEU A 29 59.584 11.669 -7.191 1.00 1.39 H new ATOM 0 HB2 LEU A 29 58.986 8.798 -7.788 1.00 1.45 H new ATOM 0 HB3 LEU A 29 57.662 9.878 -8.179 1.00 1.45 H new ATOM 0 HG LEU A 29 59.367 9.529 -10.055 1.00 1.71 H new ATOM 0 HD11 LEU A 29 59.419 11.933 -10.664 1.00 2.28 H new ATOM 0 HD12 LEU A 29 57.835 11.480 -9.991 1.00 2.28 H new ATOM 0 HD13 LEU A 29 59.007 12.366 -8.987 1.00 2.28 H new ATOM 0 HD21 LEU A 29 61.492 10.793 -9.856 1.00 2.41 H new ATOM 0 HD22 LEU A 29 61.076 11.228 -8.181 1.00 2.41 H new ATOM 0 HD23 LEU A 29 61.383 9.528 -8.608 1.00 2.41 H new ATOM 473 N GLY A 30 57.927 12.272 -5.407 1.00 1.92 N ATOM 474 CA GLY A 30 56.766 12.704 -4.581 1.00 2.16 C ATOM 475 C GLY A 30 57.270 13.215 -3.229 1.00 1.95 C ATOM 476 O GLY A 30 56.762 14.178 -2.690 1.00 2.01 O ATOM 0 H GLY A 30 58.704 12.932 -5.441 1.00 1.92 H new ATOM 0 HA2 GLY A 30 56.211 13.488 -5.095 1.00 2.16 H new ATOM 0 HA3 GLY A 30 56.079 11.871 -4.435 1.00 2.16 H new ATOM 480 N ALA A 31 58.268 12.577 -2.679 1.00 1.94 N ATOM 481 CA ALA A 31 58.806 13.027 -1.362 1.00 1.87 C ATOM 482 C ALA A 31 58.990 14.547 -1.359 1.00 2.03 C ATOM 483 O ALA A 31 58.913 15.193 -2.385 1.00 2.28 O ATOM 484 CB ALA A 31 60.157 12.324 -1.226 1.00 1.50 C ATOM 0 H ALA A 31 58.734 11.765 -3.084 1.00 1.94 H new ATOM 0 HA ALA A 31 58.136 12.786 -0.537 1.00 1.87 H new ATOM 0 HB1 ALA A 31 60.619 12.604 -0.279 1.00 1.50 H new ATOM 0 HB2 ALA A 31 60.010 11.244 -1.253 1.00 1.50 H new ATOM 0 HB3 ALA A 31 60.807 12.622 -2.049 1.00 1.50 H new ATOM 490 N GLU A 32 59.231 15.122 -0.213 1.00 2.22 N ATOM 491 CA GLU A 32 59.419 16.599 -0.145 1.00 2.52 C ATOM 492 C GLU A 32 60.910 16.945 -0.179 1.00 2.19 C ATOM 493 O GLU A 32 61.297 18.028 -0.569 1.00 2.44 O ATOM 494 CB GLU A 32 58.803 17.015 1.191 1.00 3.02 C ATOM 495 CG GLU A 32 57.278 16.943 1.096 1.00 3.65 C ATOM 496 CD GLU A 32 56.690 18.346 1.257 1.00 4.03 C ATOM 497 OE1 GLU A 32 57.064 19.216 0.489 1.00 4.40 O ATOM 498 OE2 GLU A 32 55.874 18.526 2.146 1.00 4.34 O ATOM 0 H GLU A 32 59.306 14.633 0.679 1.00 2.22 H new ATOM 0 HA GLU A 32 58.955 17.113 -0.986 1.00 2.52 H new ATOM 0 HB2 GLU A 32 59.159 16.361 1.987 1.00 3.02 H new ATOM 0 HB3 GLU A 32 59.114 18.028 1.447 1.00 3.02 H new ATOM 0 HG2 GLU A 32 56.982 16.521 0.135 1.00 3.65 H new ATOM 0 HG3 GLU A 32 56.886 16.282 1.869 1.00 3.65 H new ATOM 505 N ASP A 33 61.749 16.032 0.227 1.00 1.88 N ATOM 506 CA ASP A 33 63.213 16.312 0.220 1.00 1.82 C ATOM 507 C ASP A 33 63.927 15.387 -0.770 1.00 1.49 C ATOM 508 O ASP A 33 65.035 15.651 -1.193 1.00 1.70 O ATOM 509 CB ASP A 33 63.675 16.030 1.651 1.00 2.02 C ATOM 510 CG ASP A 33 63.713 14.519 1.890 1.00 2.43 C ATOM 511 OD1 ASP A 33 62.663 13.901 1.826 1.00 2.79 O ATOM 512 OD2 ASP A 33 64.792 14.004 2.134 1.00 2.98 O ATOM 0 H ASP A 33 61.485 15.106 0.563 1.00 1.88 H new ATOM 0 HA ASP A 33 63.437 17.334 -0.087 1.00 1.82 H new ATOM 0 HB2 ASP A 33 64.663 16.459 1.816 1.00 2.02 H new ATOM 0 HB3 ASP A 33 62.999 16.504 2.362 1.00 2.02 H new ATOM 517 N GLY A 34 63.303 14.303 -1.141 1.00 1.25 N ATOM 518 CA GLY A 34 63.947 13.363 -2.101 1.00 1.06 C ATOM 519 C GLY A 34 64.345 12.082 -1.370 1.00 0.97 C ATOM 520 O GLY A 34 65.366 11.486 -1.650 1.00 1.19 O ATOM 0 H GLY A 34 62.375 14.028 -0.821 1.00 1.25 H new ATOM 0 HA2 GLY A 34 63.261 13.131 -2.915 1.00 1.06 H new ATOM 0 HA3 GLY A 34 64.826 13.828 -2.547 1.00 1.06 H new ATOM 524 N CYS A 35 63.542 11.652 -0.437 1.00 0.83 N ATOM 525 CA CYS A 35 63.868 10.406 0.312 1.00 0.79 C ATOM 526 C CYS A 35 62.928 9.277 -0.119 1.00 0.72 C ATOM 527 O CYS A 35 61.852 9.517 -0.631 1.00 0.75 O ATOM 528 CB CYS A 35 63.648 10.757 1.783 1.00 0.83 C ATOM 529 SG CYS A 35 65.211 11.310 2.510 1.00 1.87 S ATOM 0 H CYS A 35 62.673 12.110 -0.160 1.00 0.83 H new ATOM 0 HA CYS A 35 64.886 10.064 0.126 1.00 0.79 H new ATOM 0 HB2 CYS A 35 62.895 11.540 1.873 1.00 0.83 H new ATOM 0 HB3 CYS A 35 63.270 9.889 2.323 1.00 0.83 H new ATOM 0 HG CYS A 35 65.199 12.604 2.633 1.00 1.87 H new ATOM 535 N ILE A 36 63.325 8.051 0.080 1.00 0.68 N ATOM 536 CA ILE A 36 62.451 6.913 -0.325 1.00 0.69 C ATOM 537 C ILE A 36 61.733 6.342 0.903 1.00 0.78 C ATOM 538 O ILE A 36 62.244 5.476 1.586 1.00 0.91 O ATOM 539 CB ILE A 36 63.393 5.862 -0.930 1.00 0.66 C ATOM 540 CG1 ILE A 36 64.520 6.545 -1.713 1.00 0.65 C ATOM 541 CG2 ILE A 36 62.602 4.962 -1.881 1.00 0.65 C ATOM 542 CD1 ILE A 36 65.555 5.498 -2.128 1.00 0.76 C ATOM 0 H ILE A 36 64.214 7.787 0.504 1.00 0.68 H new ATOM 0 HA ILE A 36 61.685 7.221 -1.036 1.00 0.69 H new ATOM 0 HB ILE A 36 63.825 5.270 -0.123 1.00 0.66 H new ATOM 0 HG12 ILE A 36 64.116 7.043 -2.595 1.00 0.65 H new ATOM 0 HG13 ILE A 36 64.990 7.314 -1.100 1.00 0.65 H new ATOM 0 HG21 ILE A 36 63.268 4.214 -2.313 1.00 0.65 H new ATOM 0 HG22 ILE A 36 61.804 4.463 -1.331 1.00 0.65 H new ATOM 0 HG23 ILE A 36 62.170 5.566 -2.678 1.00 0.65 H new ATOM 0 HD11 ILE A 36 66.358 5.981 -2.685 1.00 0.76 H new ATOM 0 HD12 ILE A 36 65.967 5.021 -1.239 1.00 0.76 H new ATOM 0 HD13 ILE A 36 65.079 4.745 -2.756 1.00 0.76 H new ATOM 554 N SER A 37 60.553 6.821 1.190 1.00 0.79 N ATOM 555 CA SER A 37 59.807 6.307 2.376 1.00 0.91 C ATOM 556 C SER A 37 59.425 4.838 2.168 1.00 0.85 C ATOM 557 O SER A 37 59.194 4.399 1.059 1.00 0.92 O ATOM 558 CB SER A 37 58.554 7.178 2.466 1.00 1.09 C ATOM 559 OG SER A 37 58.259 7.707 1.180 1.00 1.94 O ATOM 0 H SER A 37 60.073 7.545 0.656 1.00 0.79 H new ATOM 0 HA SER A 37 60.402 6.354 3.288 1.00 0.91 H new ATOM 0 HB2 SER A 37 57.713 6.589 2.832 1.00 1.09 H new ATOM 0 HB3 SER A 37 58.710 7.988 3.179 1.00 1.09 H new ATOM 0 HG SER A 37 57.455 8.265 1.232 1.00 1.94 H new ATOM 565 N THR A 38 59.357 4.076 3.226 1.00 0.88 N ATOM 566 CA THR A 38 58.990 2.637 3.087 1.00 1.02 C ATOM 567 C THR A 38 57.668 2.499 2.328 1.00 1.13 C ATOM 568 O THR A 38 57.441 1.532 1.629 1.00 1.48 O ATOM 569 CB THR A 38 58.845 2.118 4.518 1.00 1.12 C ATOM 570 OG1 THR A 38 58.165 0.871 4.499 1.00 1.47 O ATOM 571 CG2 THR A 38 58.049 3.124 5.347 1.00 1.25 C ATOM 0 H THR A 38 59.540 4.387 4.180 1.00 0.88 H new ATOM 0 HA THR A 38 59.738 2.075 2.527 1.00 1.02 H new ATOM 0 HB THR A 38 59.832 1.987 4.961 1.00 1.12 H new ATOM 0 HG1 THR A 38 58.072 0.535 5.415 1.00 1.47 H new ATOM 0 HG21 THR A 38 57.946 2.754 6.367 1.00 1.25 H new ATOM 0 HG22 THR A 38 58.572 4.080 5.359 1.00 1.25 H new ATOM 0 HG23 THR A 38 57.060 3.257 4.907 1.00 1.25 H new ATOM 579 N LYS A 39 56.794 3.460 2.456 1.00 1.09 N ATOM 580 CA LYS A 39 55.491 3.380 1.737 1.00 1.33 C ATOM 581 C LYS A 39 55.739 3.162 0.244 1.00 1.20 C ATOM 582 O LYS A 39 55.020 2.440 -0.419 1.00 1.45 O ATOM 583 CB LYS A 39 54.819 4.732 1.978 1.00 1.57 C ATOM 584 CG LYS A 39 53.666 4.559 2.968 1.00 2.27 C ATOM 585 CD LYS A 39 52.631 5.664 2.749 1.00 2.86 C ATOM 586 CE LYS A 39 51.237 5.042 2.628 1.00 3.52 C ATOM 587 NZ LYS A 39 50.885 5.167 1.186 1.00 4.37 N ATOM 0 H LYS A 39 56.926 4.295 3.026 1.00 1.09 H new ATOM 0 HA LYS A 39 54.871 2.554 2.086 1.00 1.33 H new ATOM 0 HB2 LYS A 39 55.544 5.446 2.369 1.00 1.57 H new ATOM 0 HB3 LYS A 39 54.447 5.138 1.037 1.00 1.57 H new ATOM 0 HG2 LYS A 39 53.203 3.581 2.835 1.00 2.27 H new ATOM 0 HG3 LYS A 39 54.042 4.597 3.990 1.00 2.27 H new ATOM 0 HD2 LYS A 39 52.655 6.369 3.580 1.00 2.86 H new ATOM 0 HD3 LYS A 39 52.869 6.226 1.846 1.00 2.86 H new ATOM 0 HE2 LYS A 39 51.241 3.999 2.945 1.00 3.52 H new ATOM 0 HE3 LYS A 39 50.516 5.563 3.257 1.00 3.52 H new ATOM 0 HZ1 LYS A 39 49.941 4.762 1.023 1.00 4.37 H new ATOM 0 HZ2 LYS A 39 50.883 6.171 0.915 1.00 4.37 H new ATOM 0 HZ3 LYS A 39 51.585 4.655 0.612 1.00 4.37 H new ATOM 601 N GLU A 40 56.759 3.777 -0.288 1.00 0.96 N ATOM 602 CA GLU A 40 57.065 3.606 -1.736 1.00 0.95 C ATOM 603 C GLU A 40 58.288 2.703 -1.905 1.00 0.84 C ATOM 604 O GLU A 40 59.170 2.979 -2.693 1.00 0.95 O ATOM 605 CB GLU A 40 57.366 5.015 -2.247 1.00 1.08 C ATOM 606 CG GLU A 40 56.263 5.456 -3.211 1.00 1.33 C ATOM 607 CD GLU A 40 56.058 6.968 -3.094 1.00 1.85 C ATOM 608 OE1 GLU A 40 55.251 7.375 -2.273 1.00 2.70 O ATOM 609 OE2 GLU A 40 56.709 7.693 -3.828 1.00 1.99 O ATOM 0 H GLU A 40 57.395 4.392 0.219 1.00 0.96 H new ATOM 0 HA GLU A 40 56.244 3.143 -2.283 1.00 0.95 H new ATOM 0 HB2 GLU A 40 57.431 5.710 -1.410 1.00 1.08 H new ATOM 0 HB3 GLU A 40 58.332 5.032 -2.751 1.00 1.08 H new ATOM 0 HG2 GLU A 40 56.533 5.193 -4.234 1.00 1.33 H new ATOM 0 HG3 GLU A 40 55.334 4.933 -2.982 1.00 1.33 H new ATOM 616 N LEU A 41 58.350 1.628 -1.167 1.00 0.81 N ATOM 617 CA LEU A 41 59.520 0.709 -1.283 1.00 0.75 C ATOM 618 C LEU A 41 59.079 -0.651 -1.832 1.00 0.77 C ATOM 619 O LEU A 41 59.689 -1.195 -2.730 1.00 0.77 O ATOM 620 CB LEU A 41 60.050 0.563 0.143 1.00 0.82 C ATOM 621 CG LEU A 41 61.438 1.199 0.239 1.00 0.89 C ATOM 622 CD1 LEU A 41 62.056 0.872 1.600 1.00 1.10 C ATOM 623 CD2 LEU A 41 62.331 0.640 -0.871 1.00 1.20 C ATOM 0 H LEU A 41 57.642 1.346 -0.489 1.00 0.81 H new ATOM 0 HA LEU A 41 60.278 1.093 -1.965 1.00 0.75 H new ATOM 0 HB2 LEU A 41 59.369 1.043 0.846 1.00 0.82 H new ATOM 0 HB3 LEU A 41 60.101 -0.491 0.417 1.00 0.82 H new ATOM 0 HG LEU A 41 61.351 2.280 0.129 1.00 0.89 H new ATOM 0 HD11 LEU A 41 63.045 1.325 1.669 1.00 1.10 H new ATOM 0 HD12 LEU A 41 61.420 1.267 2.393 1.00 1.10 H new ATOM 0 HD13 LEU A 41 62.144 -0.209 1.710 1.00 1.10 H new ATOM 0 HD21 LEU A 41 63.321 1.092 -0.804 1.00 1.20 H new ATOM 0 HD22 LEU A 41 62.417 -0.441 -0.759 1.00 1.20 H new ATOM 0 HD23 LEU A 41 61.892 0.870 -1.842 1.00 1.20 H new ATOM 635 N GLY A 42 58.025 -1.205 -1.299 1.00 0.88 N ATOM 636 CA GLY A 42 57.550 -2.528 -1.793 1.00 1.02 C ATOM 637 C GLY A 42 57.568 -2.532 -3.322 1.00 0.99 C ATOM 638 O GLY A 42 58.048 -3.460 -3.945 1.00 1.11 O ATOM 0 H GLY A 42 57.473 -0.799 -0.544 1.00 0.88 H new ATOM 0 HA2 GLY A 42 58.188 -3.323 -1.408 1.00 1.02 H new ATOM 0 HA3 GLY A 42 56.541 -2.724 -1.429 1.00 1.02 H new ATOM 642 N LYS A 43 57.054 -1.501 -3.934 1.00 0.91 N ATOM 643 CA LYS A 43 57.049 -1.447 -5.423 1.00 1.00 C ATOM 644 C LYS A 43 58.487 -1.365 -5.944 1.00 0.84 C ATOM 645 O LYS A 43 58.769 -1.699 -7.078 1.00 0.89 O ATOM 646 CB LYS A 43 56.270 -0.175 -5.771 1.00 1.12 C ATOM 647 CG LYS A 43 57.142 1.053 -5.500 1.00 1.32 C ATOM 648 CD LYS A 43 56.340 2.324 -5.784 1.00 1.85 C ATOM 649 CE LYS A 43 57.181 3.279 -6.636 1.00 2.24 C ATOM 650 NZ LYS A 43 56.193 4.165 -7.312 1.00 2.80 N ATOM 0 H LYS A 43 56.638 -0.695 -3.468 1.00 0.91 H new ATOM 0 HA LYS A 43 56.597 -2.331 -5.873 1.00 1.00 H new ATOM 0 HB2 LYS A 43 55.970 -0.196 -6.819 1.00 1.12 H new ATOM 0 HB3 LYS A 43 55.357 -0.123 -5.178 1.00 1.12 H new ATOM 0 HG2 LYS A 43 57.482 1.049 -4.464 1.00 1.32 H new ATOM 0 HG3 LYS A 43 58.033 1.025 -6.128 1.00 1.32 H new ATOM 0 HD2 LYS A 43 55.415 2.075 -6.304 1.00 1.85 H new ATOM 0 HD3 LYS A 43 56.059 2.806 -4.848 1.00 1.85 H new ATOM 0 HE2 LYS A 43 57.870 3.855 -6.019 1.00 2.24 H new ATOM 0 HE3 LYS A 43 57.783 2.733 -7.362 1.00 2.24 H new ATOM 0 HZ1 LYS A 43 56.695 4.848 -7.915 1.00 2.80 H new ATOM 0 HZ2 LYS A 43 55.555 3.590 -7.898 1.00 2.80 H new ATOM 0 HZ3 LYS A 43 55.639 4.677 -6.596 1.00 2.80 H new ATOM 664 N VAL A 44 59.396 -0.924 -5.118 1.00 0.75 N ATOM 665 CA VAL A 44 60.820 -0.821 -5.554 1.00 0.68 C ATOM 666 C VAL A 44 61.509 -2.178 -5.422 1.00 0.68 C ATOM 667 O VAL A 44 62.186 -2.634 -6.323 1.00 0.76 O ATOM 668 CB VAL A 44 61.450 0.190 -4.598 1.00 0.72 C ATOM 669 CG1 VAL A 44 62.903 0.441 -5.005 1.00 1.10 C ATOM 670 CG2 VAL A 44 60.667 1.501 -4.661 1.00 1.70 C ATOM 0 H VAL A 44 59.215 -0.630 -4.158 1.00 0.75 H new ATOM 0 HA VAL A 44 60.914 -0.515 -6.596 1.00 0.68 H new ATOM 0 HB VAL A 44 61.423 -0.202 -3.581 1.00 0.72 H new ATOM 0 HG11 VAL A 44 63.353 1.163 -4.323 1.00 1.10 H new ATOM 0 HG12 VAL A 44 63.460 -0.495 -4.962 1.00 1.10 H new ATOM 0 HG13 VAL A 44 62.933 0.835 -6.021 1.00 1.10 H new ATOM 0 HG21 VAL A 44 61.114 2.225 -3.980 1.00 1.70 H new ATOM 0 HG22 VAL A 44 60.696 1.893 -5.677 1.00 1.70 H new ATOM 0 HG23 VAL A 44 59.632 1.321 -4.371 1.00 1.70 H new ATOM 680 N MET A 45 61.344 -2.827 -4.302 1.00 0.79 N ATOM 681 CA MET A 45 61.990 -4.155 -4.109 1.00 0.99 C ATOM 682 C MET A 45 61.566 -5.109 -5.227 1.00 1.03 C ATOM 683 O MET A 45 62.332 -5.940 -5.673 1.00 1.16 O ATOM 684 CB MET A 45 61.482 -4.658 -2.753 1.00 1.26 C ATOM 685 CG MET A 45 61.728 -3.597 -1.672 1.00 1.54 C ATOM 686 SD MET A 45 63.414 -2.950 -1.811 1.00 2.11 S ATOM 687 CE MET A 45 64.264 -4.544 -1.916 1.00 1.74 C ATOM 0 H MET A 45 60.790 -2.495 -3.513 1.00 0.79 H new ATOM 0 HA MET A 45 63.078 -4.092 -4.134 1.00 0.99 H new ATOM 0 HB2 MET A 45 60.418 -4.885 -2.816 1.00 1.26 H new ATOM 0 HB3 MET A 45 61.990 -5.585 -2.486 1.00 1.26 H new ATOM 0 HG2 MET A 45 61.008 -2.785 -1.777 1.00 1.54 H new ATOM 0 HG3 MET A 45 61.577 -4.031 -0.684 1.00 1.54 H new ATOM 0 HE1 MET A 45 65.051 -4.587 -1.163 1.00 1.74 H new ATOM 0 HE2 MET A 45 63.550 -5.349 -1.741 1.00 1.74 H new ATOM 0 HE3 MET A 45 64.703 -4.657 -2.907 1.00 1.74 H new ATOM 697 N ARG A 46 60.351 -4.992 -5.686 1.00 1.05 N ATOM 698 CA ARG A 46 59.876 -5.890 -6.778 1.00 1.22 C ATOM 699 C ARG A 46 60.762 -5.730 -8.017 1.00 1.26 C ATOM 700 O ARG A 46 61.234 -6.697 -8.580 1.00 1.51 O ATOM 701 CB ARG A 46 58.448 -5.431 -7.073 1.00 1.28 C ATOM 702 CG ARG A 46 57.471 -6.220 -6.201 1.00 1.46 C ATOM 703 CD ARG A 46 56.047 -5.712 -6.438 1.00 1.98 C ATOM 704 NE ARG A 46 55.175 -6.899 -6.218 1.00 2.34 N ATOM 705 CZ ARG A 46 54.006 -6.754 -5.656 1.00 2.82 C ATOM 706 NH1 ARG A 46 53.922 -6.387 -4.405 1.00 3.34 N ATOM 707 NH2 ARG A 46 52.919 -6.975 -6.345 1.00 3.26 N ATOM 0 H ARG A 46 59.666 -4.314 -5.353 1.00 1.05 H new ATOM 0 HA ARG A 46 59.915 -6.942 -6.496 1.00 1.22 H new ATOM 0 HB2 ARG A 46 58.349 -4.364 -6.875 1.00 1.28 H new ATOM 0 HB3 ARG A 46 58.216 -5.583 -8.127 1.00 1.28 H new ATOM 0 HG2 ARG A 46 57.533 -7.282 -6.437 1.00 1.46 H new ATOM 0 HG3 ARG A 46 57.737 -6.111 -5.149 1.00 1.46 H new ATOM 0 HD2 ARG A 46 55.796 -4.905 -5.750 1.00 1.98 H new ATOM 0 HD3 ARG A 46 55.931 -5.318 -7.448 1.00 1.98 H new ATOM 0 HE ARG A 46 55.491 -7.825 -6.506 1.00 2.34 H new ATOM 0 HH11 ARG A 46 54.771 -6.213 -3.866 1.00 3.34 H new ATOM 0 HH12 ARG A 46 53.008 -6.274 -3.967 1.00 3.34 H new ATOM 0 HH21 ARG A 46 52.984 -7.261 -7.322 1.00 3.26 H new ATOM 0 HH22 ARG A 46 52.005 -6.862 -5.906 1.00 3.26 H new ATOM 721 N MET A 47 60.990 -4.519 -8.447 1.00 1.11 N ATOM 722 CA MET A 47 61.845 -4.310 -9.651 1.00 1.26 C ATOM 723 C MET A 47 63.328 -4.310 -9.257 1.00 1.19 C ATOM 724 O MET A 47 64.177 -4.743 -10.011 1.00 1.31 O ATOM 725 CB MET A 47 61.417 -2.951 -10.216 1.00 1.28 C ATOM 726 CG MET A 47 62.066 -1.818 -9.418 1.00 1.46 C ATOM 727 SD MET A 47 63.711 -1.476 -10.090 1.00 1.99 S ATOM 728 CE MET A 47 63.417 0.252 -10.540 1.00 2.19 C ATOM 0 H MET A 47 60.623 -3.669 -8.019 1.00 1.11 H new ATOM 0 HA MET A 47 61.724 -5.103 -10.389 1.00 1.26 H new ATOM 0 HB2 MET A 47 61.705 -2.878 -11.265 1.00 1.28 H new ATOM 0 HB3 MET A 47 60.332 -2.858 -10.176 1.00 1.28 H new ATOM 0 HG2 MET A 47 61.447 -0.922 -9.468 1.00 1.46 H new ATOM 0 HG3 MET A 47 62.141 -2.095 -8.367 1.00 1.46 H new ATOM 0 HE1 MET A 47 64.367 0.786 -10.574 1.00 2.19 H new ATOM 0 HE2 MET A 47 62.940 0.297 -11.519 1.00 2.19 H new ATOM 0 HE3 MET A 47 62.767 0.716 -9.798 1.00 2.19 H new ATOM 738 N LEU A 48 63.646 -3.837 -8.081 1.00 1.09 N ATOM 739 CA LEU A 48 65.072 -3.820 -7.644 1.00 1.18 C ATOM 740 C LEU A 48 65.663 -5.230 -7.724 1.00 1.51 C ATOM 741 O LEU A 48 66.864 -5.412 -7.721 1.00 1.89 O ATOM 742 CB LEU A 48 65.023 -3.346 -6.190 1.00 1.18 C ATOM 743 CG LEU A 48 65.314 -1.842 -6.106 1.00 1.35 C ATOM 744 CD1 LEU A 48 66.826 -1.613 -6.095 1.00 2.05 C ATOM 745 CD2 LEU A 48 64.699 -1.113 -7.306 1.00 1.70 C ATOM 0 H LEU A 48 62.980 -3.462 -7.405 1.00 1.09 H new ATOM 0 HA LEU A 48 65.693 -3.178 -8.268 1.00 1.18 H new ATOM 0 HB2 LEU A 48 64.042 -3.557 -5.765 1.00 1.18 H new ATOM 0 HB3 LEU A 48 65.752 -3.897 -5.597 1.00 1.18 H new ATOM 0 HG LEU A 48 64.875 -1.450 -5.189 1.00 1.35 H new ATOM 0 HD11 LEU A 48 67.032 -0.544 -6.035 1.00 2.05 H new ATOM 0 HD12 LEU A 48 67.264 -2.116 -5.233 1.00 2.05 H new ATOM 0 HD13 LEU A 48 67.262 -2.016 -7.009 1.00 2.05 H new ATOM 0 HD21 LEU A 48 64.913 -0.047 -7.233 1.00 1.70 H new ATOM 0 HD22 LEU A 48 65.126 -1.507 -8.229 1.00 1.70 H new ATOM 0 HD23 LEU A 48 63.620 -1.266 -7.311 1.00 1.70 H new ATOM 757 N GLY A 49 64.825 -6.228 -7.789 1.00 1.56 N ATOM 758 CA GLY A 49 65.333 -7.626 -7.861 1.00 1.97 C ATOM 759 C GLY A 49 64.929 -8.375 -6.591 1.00 1.69 C ATOM 760 O GLY A 49 65.500 -9.390 -6.246 1.00 1.87 O ATOM 0 H GLY A 49 63.809 -6.135 -7.795 1.00 1.56 H new ATOM 0 HA2 GLY A 49 64.926 -8.128 -8.739 1.00 1.97 H new ATOM 0 HA3 GLY A 49 66.418 -7.626 -7.968 1.00 1.97 H new ATOM 764 N GLN A 50 63.947 -7.877 -5.888 1.00 1.38 N ATOM 765 CA GLN A 50 63.505 -8.556 -4.636 1.00 1.26 C ATOM 766 C GLN A 50 61.981 -8.709 -4.625 1.00 1.19 C ATOM 767 O GLN A 50 61.280 -8.086 -5.397 1.00 1.25 O ATOM 768 CB GLN A 50 63.955 -7.630 -3.503 1.00 1.39 C ATOM 769 CG GLN A 50 65.397 -7.179 -3.750 1.00 1.69 C ATOM 770 CD GLN A 50 66.342 -8.362 -3.541 1.00 2.12 C ATOM 771 OE1 GLN A 50 65.918 -9.431 -3.148 1.00 2.58 O ATOM 772 NE2 GLN A 50 67.615 -8.215 -3.788 1.00 2.76 N ATOM 0 H GLN A 50 63.432 -7.030 -6.127 1.00 1.38 H new ATOM 0 HA GLN A 50 63.927 -9.557 -4.540 1.00 1.26 H new ATOM 0 HB2 GLN A 50 63.297 -6.763 -3.445 1.00 1.39 H new ATOM 0 HB3 GLN A 50 63.884 -8.148 -2.547 1.00 1.39 H new ATOM 0 HG2 GLN A 50 65.500 -6.792 -4.764 1.00 1.69 H new ATOM 0 HG3 GLN A 50 65.657 -6.367 -3.071 1.00 1.69 H new ATOM 0 HE21 GLN A 50 67.970 -7.318 -4.118 1.00 2.76 H new ATOM 0 HE22 GLN A 50 68.255 -8.998 -3.651 1.00 2.76 H new ATOM 781 N ASN A 51 61.465 -9.530 -3.754 1.00 1.22 N ATOM 782 CA ASN A 51 59.987 -9.719 -3.691 1.00 1.29 C ATOM 783 C ASN A 51 59.522 -9.723 -2.232 1.00 1.25 C ATOM 784 O ASN A 51 58.871 -10.649 -1.790 1.00 1.41 O ATOM 785 CB ASN A 51 59.730 -11.078 -4.342 1.00 1.54 C ATOM 786 CG ASN A 51 58.260 -11.176 -4.754 1.00 1.88 C ATOM 787 OD1 ASN A 51 57.384 -11.227 -3.914 1.00 2.25 O ATOM 788 ND2 ASN A 51 57.951 -11.204 -6.021 1.00 2.57 N ATOM 0 H ASN A 51 62.002 -10.079 -3.082 1.00 1.22 H new ATOM 0 HA ASN A 51 59.445 -8.920 -4.197 1.00 1.29 H new ATOM 0 HB2 ASN A 51 60.372 -11.203 -5.214 1.00 1.54 H new ATOM 0 HB3 ASN A 51 59.978 -11.879 -3.646 1.00 1.54 H new ATOM 0 HD21 ASN A 51 56.974 -11.269 -6.306 1.00 2.57 H new ATOM 0 HD22 ASN A 51 58.687 -11.161 -6.726 1.00 2.57 H new ATOM 795 N PRO A 52 59.879 -8.681 -1.533 1.00 1.15 N ATOM 796 CA PRO A 52 59.501 -8.553 -0.106 1.00 1.20 C ATOM 797 C PRO A 52 58.015 -8.214 0.029 1.00 1.33 C ATOM 798 O PRO A 52 57.269 -8.243 -0.930 1.00 1.45 O ATOM 799 CB PRO A 52 60.369 -7.401 0.393 1.00 1.19 C ATOM 800 CG PRO A 52 60.683 -6.592 -0.826 1.00 1.20 C ATOM 801 CD PRO A 52 60.662 -7.532 -2.005 1.00 1.14 C ATOM 0 HA PRO A 52 59.653 -9.472 0.460 1.00 1.20 H new ATOM 0 HB2 PRO A 52 59.842 -6.804 1.137 1.00 1.19 H new ATOM 0 HB3 PRO A 52 61.279 -7.770 0.867 1.00 1.19 H new ATOM 0 HG2 PRO A 52 59.951 -5.795 -0.957 1.00 1.20 H new ATOM 0 HG3 PRO A 52 61.659 -6.117 -0.731 1.00 1.20 H new ATOM 0 HD2 PRO A 52 60.202 -7.067 -2.877 1.00 1.14 H new ATOM 0 HD3 PRO A 52 61.670 -7.829 -2.296 1.00 1.14 H new ATOM 809 N THR A 53 57.582 -7.892 1.216 1.00 1.39 N ATOM 810 CA THR A 53 56.146 -7.549 1.424 1.00 1.58 C ATOM 811 C THR A 53 56.035 -6.198 2.136 1.00 1.47 C ATOM 812 O THR A 53 57.015 -5.686 2.642 1.00 1.27 O ATOM 813 CB THR A 53 55.595 -8.673 2.308 1.00 1.77 C ATOM 814 OG1 THR A 53 55.999 -8.455 3.652 1.00 1.69 O ATOM 815 CG2 THR A 53 56.129 -10.022 1.825 1.00 1.97 C ATOM 0 H THR A 53 58.162 -7.851 2.054 1.00 1.39 H new ATOM 0 HA THR A 53 55.595 -7.465 0.487 1.00 1.58 H new ATOM 0 HB THR A 53 54.507 -8.678 2.249 1.00 1.77 H new ATOM 0 HG1 THR A 53 55.647 -9.172 4.220 1.00 1.69 H new ATOM 0 HG21 THR A 53 55.734 -10.817 2.457 1.00 1.97 H new ATOM 0 HG22 THR A 53 55.817 -10.189 0.794 1.00 1.97 H new ATOM 0 HG23 THR A 53 57.218 -10.023 1.879 1.00 1.97 H new ATOM 823 N PRO A 54 54.845 -5.662 2.158 1.00 1.64 N ATOM 824 CA PRO A 54 54.615 -4.357 2.823 1.00 1.63 C ATOM 825 C PRO A 54 54.741 -4.514 4.340 1.00 1.55 C ATOM 826 O PRO A 54 54.962 -3.560 5.059 1.00 1.47 O ATOM 827 CB PRO A 54 53.188 -3.993 2.419 1.00 1.92 C ATOM 828 CG PRO A 54 52.535 -5.299 2.107 1.00 2.08 C ATOM 829 CD PRO A 54 53.613 -6.211 1.580 1.00 1.93 C ATOM 0 HA PRO A 54 55.334 -3.589 2.536 1.00 1.63 H new ATOM 0 HB2 PRO A 54 52.669 -3.474 3.225 1.00 1.92 H new ATOM 0 HB3 PRO A 54 53.179 -3.330 1.554 1.00 1.92 H new ATOM 0 HG2 PRO A 54 52.072 -5.722 2.999 1.00 2.08 H new ATOM 0 HG3 PRO A 54 51.744 -5.169 1.369 1.00 2.08 H new ATOM 0 HD2 PRO A 54 53.451 -7.244 1.889 1.00 1.93 H new ATOM 0 HD3 PRO A 54 53.645 -6.206 0.490 1.00 1.93 H new ATOM 837 N GLU A 55 54.615 -5.718 4.826 1.00 1.61 N ATOM 838 CA GLU A 55 54.742 -5.947 6.293 1.00 1.58 C ATOM 839 C GLU A 55 56.222 -6.018 6.673 1.00 1.42 C ATOM 840 O GLU A 55 56.654 -5.433 7.647 1.00 1.36 O ATOM 841 CB GLU A 55 54.055 -7.290 6.545 1.00 1.74 C ATOM 842 CG GLU A 55 52.987 -7.122 7.628 1.00 2.16 C ATOM 843 CD GLU A 55 53.310 -8.038 8.810 1.00 2.56 C ATOM 844 OE1 GLU A 55 52.964 -9.205 8.742 1.00 2.83 O ATOM 845 OE2 GLU A 55 53.899 -7.555 9.764 1.00 3.10 O ATOM 0 H GLU A 55 54.430 -6.553 4.271 1.00 1.61 H new ATOM 0 HA GLU A 55 54.294 -5.149 6.884 1.00 1.58 H new ATOM 0 HB2 GLU A 55 53.600 -7.656 5.625 1.00 1.74 H new ATOM 0 HB3 GLU A 55 54.789 -8.033 6.856 1.00 1.74 H new ATOM 0 HG2 GLU A 55 52.949 -6.084 7.958 1.00 2.16 H new ATOM 0 HG3 GLU A 55 52.004 -7.364 7.225 1.00 2.16 H new ATOM 852 N GLU A 56 57.003 -6.724 5.902 1.00 1.38 N ATOM 853 CA GLU A 56 58.458 -6.830 6.205 1.00 1.26 C ATOM 854 C GLU A 56 59.152 -5.501 5.897 1.00 1.14 C ATOM 855 O GLU A 56 60.170 -5.169 6.472 1.00 1.07 O ATOM 856 CB GLU A 56 58.974 -7.928 5.274 1.00 1.32 C ATOM 857 CG GLU A 56 58.882 -9.285 5.976 1.00 2.10 C ATOM 858 CD GLU A 56 60.223 -9.609 6.640 1.00 2.79 C ATOM 859 OE1 GLU A 56 60.719 -8.766 7.370 1.00 3.18 O ATOM 860 OE2 GLU A 56 60.730 -10.693 6.406 1.00 3.40 O ATOM 0 H GLU A 56 56.695 -7.233 5.073 1.00 1.38 H new ATOM 0 HA GLU A 56 58.650 -7.059 7.253 1.00 1.26 H new ATOM 0 HB2 GLU A 56 58.389 -7.943 4.354 1.00 1.32 H new ATOM 0 HB3 GLU A 56 60.007 -7.723 4.992 1.00 1.32 H new ATOM 0 HG2 GLU A 56 58.089 -9.266 6.724 1.00 2.10 H new ATOM 0 HG3 GLU A 56 58.623 -10.062 5.256 1.00 2.10 H new ATOM 867 N LEU A 57 58.606 -4.739 4.990 1.00 1.17 N ATOM 868 CA LEU A 57 59.226 -3.430 4.634 1.00 1.13 C ATOM 869 C LEU A 57 59.445 -2.580 5.891 1.00 1.06 C ATOM 870 O LEU A 57 60.536 -2.116 6.155 1.00 1.02 O ATOM 871 CB LEU A 57 58.213 -2.759 3.706 1.00 1.24 C ATOM 872 CG LEU A 57 58.933 -2.199 2.479 1.00 1.41 C ATOM 873 CD1 LEU A 57 58.556 -3.021 1.244 1.00 1.93 C ATOM 874 CD2 LEU A 57 58.517 -0.742 2.268 1.00 1.87 C ATOM 0 H LEU A 57 57.754 -4.967 4.478 1.00 1.17 H new ATOM 0 HA LEU A 57 60.202 -3.551 4.163 1.00 1.13 H new ATOM 0 HB2 LEU A 57 57.455 -3.479 3.398 1.00 1.24 H new ATOM 0 HB3 LEU A 57 57.696 -1.958 4.234 1.00 1.24 H new ATOM 0 HG LEU A 57 60.011 -2.252 2.634 1.00 1.41 H new ATOM 0 HD11 LEU A 57 59.070 -2.621 0.370 1.00 1.93 H new ATOM 0 HD12 LEU A 57 58.851 -4.060 1.394 1.00 1.93 H new ATOM 0 HD13 LEU A 57 57.479 -2.969 1.087 1.00 1.93 H new ATOM 0 HD21 LEU A 57 59.029 -0.340 1.394 1.00 1.87 H new ATOM 0 HD22 LEU A 57 57.439 -0.690 2.113 1.00 1.87 H new ATOM 0 HD23 LEU A 57 58.786 -0.156 3.147 1.00 1.87 H new ATOM 886 N GLN A 58 58.415 -2.371 6.664 1.00 1.09 N ATOM 887 CA GLN A 58 58.560 -1.548 7.901 1.00 1.08 C ATOM 888 C GLN A 58 59.576 -2.184 8.853 1.00 1.04 C ATOM 889 O GLN A 58 60.364 -1.503 9.480 1.00 1.05 O ATOM 890 CB GLN A 58 57.169 -1.539 8.535 1.00 1.15 C ATOM 891 CG GLN A 58 57.043 -0.339 9.475 1.00 1.39 C ATOM 892 CD GLN A 58 58.209 -0.338 10.466 1.00 1.62 C ATOM 893 OE1 GLN A 58 58.278 -1.176 11.342 1.00 2.20 O ATOM 894 NE2 GLN A 58 59.136 0.576 10.363 1.00 1.88 N ATOM 0 H GLN A 58 57.477 -2.735 6.493 1.00 1.09 H new ATOM 0 HA GLN A 58 58.919 -0.542 7.683 1.00 1.08 H new ATOM 0 HB2 GLN A 58 56.405 -1.488 7.759 1.00 1.15 H new ATOM 0 HB3 GLN A 58 57.003 -2.465 9.086 1.00 1.15 H new ATOM 0 HG2 GLN A 58 57.040 0.587 8.900 1.00 1.39 H new ATOM 0 HG3 GLN A 58 56.096 -0.383 10.013 1.00 1.39 H new ATOM 0 HE21 GLN A 58 59.078 1.280 9.627 1.00 1.88 H new ATOM 0 HE22 GLN A 58 59.918 0.586 11.018 1.00 1.88 H new ATOM 903 N GLU A 59 59.562 -3.483 8.973 1.00 1.07 N ATOM 904 CA GLU A 59 60.525 -4.157 9.893 1.00 1.09 C ATOM 905 C GLU A 59 61.937 -4.129 9.302 1.00 1.07 C ATOM 906 O GLU A 59 62.915 -4.020 10.015 1.00 1.08 O ATOM 907 CB GLU A 59 60.023 -5.596 10.008 1.00 1.17 C ATOM 908 CG GLU A 59 59.160 -5.736 11.264 1.00 1.28 C ATOM 909 CD GLU A 59 58.079 -6.791 11.026 1.00 1.84 C ATOM 910 OE1 GLU A 59 57.842 -7.118 9.874 1.00 2.18 O ATOM 911 OE2 GLU A 59 57.505 -7.253 11.998 1.00 2.48 O ATOM 0 H GLU A 59 58.927 -4.107 8.475 1.00 1.07 H new ATOM 0 HA GLU A 59 60.579 -3.663 10.863 1.00 1.09 H new ATOM 0 HB2 GLU A 59 59.443 -5.862 9.124 1.00 1.17 H new ATOM 0 HB3 GLU A 59 60.867 -6.284 10.055 1.00 1.17 H new ATOM 0 HG2 GLU A 59 59.780 -6.021 12.114 1.00 1.28 H new ATOM 0 HG3 GLU A 59 58.701 -4.779 11.511 1.00 1.28 H new ATOM 918 N MET A 60 62.053 -4.228 8.007 1.00 1.08 N ATOM 919 CA MET A 60 63.404 -4.211 7.377 1.00 1.09 C ATOM 920 C MET A 60 64.028 -2.817 7.495 1.00 1.10 C ATOM 921 O MET A 60 65.229 -2.674 7.608 1.00 1.47 O ATOM 922 CB MET A 60 63.164 -4.570 5.912 1.00 1.09 C ATOM 923 CG MET A 60 63.251 -6.087 5.740 1.00 1.42 C ATOM 924 SD MET A 60 64.986 -6.602 5.799 1.00 1.89 S ATOM 925 CE MET A 60 64.898 -7.511 7.362 1.00 1.71 C ATOM 0 H MET A 60 61.272 -4.320 7.358 1.00 1.08 H new ATOM 0 HA MET A 60 64.091 -4.906 7.859 1.00 1.09 H new ATOM 0 HB2 MET A 60 62.185 -4.213 5.594 1.00 1.09 H new ATOM 0 HB3 MET A 60 63.903 -4.078 5.280 1.00 1.09 H new ATOM 0 HG2 MET A 60 62.685 -6.586 6.527 1.00 1.42 H new ATOM 0 HG3 MET A 60 62.805 -6.382 4.790 1.00 1.42 H new ATOM 0 HE1 MET A 60 65.588 -8.354 7.332 1.00 1.71 H new ATOM 0 HE2 MET A 60 65.170 -6.849 8.184 1.00 1.71 H new ATOM 0 HE3 MET A 60 63.883 -7.879 7.512 1.00 1.71 H new ATOM 935 N ILE A 61 63.224 -1.791 7.471 1.00 0.91 N ATOM 936 CA ILE A 61 63.777 -0.410 7.582 1.00 0.95 C ATOM 937 C ILE A 61 63.924 -0.019 9.055 1.00 0.94 C ATOM 938 O ILE A 61 64.473 1.016 9.380 1.00 1.06 O ATOM 939 CB ILE A 61 62.753 0.484 6.884 1.00 1.03 C ATOM 940 CG1 ILE A 61 62.915 0.353 5.368 1.00 1.35 C ATOM 941 CG2 ILE A 61 62.978 1.941 7.293 1.00 1.55 C ATOM 942 CD1 ILE A 61 61.535 0.333 4.706 1.00 1.56 C ATOM 0 H ILE A 61 62.210 -1.847 7.380 1.00 0.91 H new ATOM 0 HA ILE A 61 64.765 -0.321 7.131 1.00 0.95 H new ATOM 0 HB ILE A 61 61.748 0.177 7.174 1.00 1.03 H new ATOM 0 HG12 ILE A 61 63.503 1.185 4.981 1.00 1.35 H new ATOM 0 HG13 ILE A 61 63.459 -0.561 5.127 1.00 1.35 H new ATOM 0 HG21 ILE A 61 62.246 2.576 6.794 1.00 1.55 H new ATOM 0 HG22 ILE A 61 62.865 2.037 8.373 1.00 1.55 H new ATOM 0 HG23 ILE A 61 63.983 2.249 7.004 1.00 1.55 H new ATOM 0 HD11 ILE A 61 61.651 0.240 3.626 1.00 1.56 H new ATOM 0 HD12 ILE A 61 60.962 -0.514 5.084 1.00 1.56 H new ATOM 0 HD13 ILE A 61 61.008 1.259 4.936 1.00 1.56 H new ATOM 954 N ASP A 62 63.438 -0.835 9.947 1.00 1.09 N ATOM 955 CA ASP A 62 63.551 -0.506 11.398 1.00 1.09 C ATOM 956 C ASP A 62 64.856 -1.072 11.965 1.00 1.11 C ATOM 957 O ASP A 62 65.036 -1.162 13.163 1.00 1.24 O ATOM 958 CB ASP A 62 62.345 -1.182 12.050 1.00 1.22 C ATOM 959 CG ASP A 62 61.412 -0.117 12.627 1.00 1.40 C ATOM 960 OD1 ASP A 62 61.243 0.905 11.982 1.00 1.87 O ATOM 961 OD2 ASP A 62 60.880 -0.340 13.702 1.00 1.91 O ATOM 0 H ASP A 62 62.968 -1.715 9.736 1.00 1.09 H new ATOM 0 HA ASP A 62 63.564 0.568 11.581 1.00 1.09 H new ATOM 0 HB2 ASP A 62 61.813 -1.787 11.316 1.00 1.22 H new ATOM 0 HB3 ASP A 62 62.676 -1.857 12.839 1.00 1.22 H new ATOM 966 N GLU A 63 65.768 -1.456 11.112 1.00 1.18 N ATOM 967 CA GLU A 63 67.059 -2.018 11.603 1.00 1.31 C ATOM 968 C GLU A 63 68.227 -1.122 11.185 1.00 1.18 C ATOM 969 O GLU A 63 69.303 -1.188 11.745 1.00 1.41 O ATOM 970 CB GLU A 63 67.171 -3.388 10.933 1.00 1.50 C ATOM 971 CG GLU A 63 65.854 -4.149 11.098 1.00 1.93 C ATOM 972 CD GLU A 63 66.147 -5.626 11.368 1.00 1.91 C ATOM 973 OE1 GLU A 63 67.312 -5.988 11.366 1.00 2.33 O ATOM 974 OE2 GLU A 63 65.202 -6.370 11.573 1.00 2.24 O ATOM 0 H GLU A 63 65.675 -1.405 10.098 1.00 1.18 H new ATOM 0 HA GLU A 63 67.090 -2.087 12.690 1.00 1.31 H new ATOM 0 HB2 GLU A 63 67.404 -3.269 9.875 1.00 1.50 H new ATOM 0 HB3 GLU A 63 67.989 -3.956 11.377 1.00 1.50 H new ATOM 0 HG2 GLU A 63 65.278 -3.726 11.921 1.00 1.93 H new ATOM 0 HG3 GLU A 63 65.247 -4.046 10.198 1.00 1.93 H new ATOM 981 N VAL A 64 68.028 -0.284 10.203 1.00 0.93 N ATOM 982 CA VAL A 64 69.134 0.609 9.753 1.00 0.92 C ATOM 983 C VAL A 64 68.671 2.070 9.736 1.00 0.95 C ATOM 984 O VAL A 64 69.459 2.976 9.554 1.00 1.37 O ATOM 985 CB VAL A 64 69.473 0.139 8.339 1.00 0.91 C ATOM 986 CG1 VAL A 64 68.299 0.438 7.404 1.00 1.66 C ATOM 987 CG2 VAL A 64 70.718 0.877 7.843 1.00 1.51 C ATOM 0 H VAL A 64 67.150 -0.180 9.694 1.00 0.93 H new ATOM 0 HA VAL A 64 69.996 0.560 10.418 1.00 0.92 H new ATOM 0 HB VAL A 64 69.664 -0.934 8.350 1.00 0.91 H new ATOM 0 HG11 VAL A 64 68.542 0.102 6.396 1.00 1.66 H new ATOM 0 HG12 VAL A 64 67.411 -0.086 7.757 1.00 1.66 H new ATOM 0 HG13 VAL A 64 68.107 1.511 7.393 1.00 1.66 H new ATOM 0 HG21 VAL A 64 70.961 0.543 6.834 1.00 1.51 H new ATOM 0 HG22 VAL A 64 70.525 1.950 7.833 1.00 1.51 H new ATOM 0 HG23 VAL A 64 71.556 0.665 8.507 1.00 1.51 H new ATOM 997 N ASP A 65 67.401 2.306 9.923 1.00 0.96 N ATOM 998 CA ASP A 65 66.899 3.711 9.916 1.00 1.02 C ATOM 999 C ASP A 65 67.481 4.485 11.103 1.00 1.06 C ATOM 1000 O ASP A 65 66.781 4.834 12.032 1.00 1.22 O ATOM 1001 CB ASP A 65 65.381 3.591 10.048 1.00 1.24 C ATOM 1002 CG ASP A 65 64.781 4.970 10.331 1.00 1.68 C ATOM 1003 OD1 ASP A 65 65.394 5.951 9.943 1.00 2.50 O ATOM 1004 OD2 ASP A 65 63.721 5.021 10.930 1.00 1.96 O ATOM 0 H ASP A 65 66.691 1.590 10.080 1.00 0.96 H new ATOM 0 HA ASP A 65 67.188 4.248 9.013 1.00 1.02 H new ATOM 0 HB2 ASP A 65 64.957 3.180 9.132 1.00 1.24 H new ATOM 0 HB3 ASP A 65 65.129 2.901 10.853 1.00 1.24 H new ATOM 1009 N GLU A 66 68.758 4.758 11.077 1.00 1.15 N ATOM 1010 CA GLU A 66 69.383 5.509 12.202 1.00 1.37 C ATOM 1011 C GLU A 66 68.659 6.841 12.413 1.00 1.34 C ATOM 1012 O GLU A 66 68.603 7.362 13.510 1.00 1.62 O ATOM 1013 CB GLU A 66 70.828 5.748 11.764 1.00 1.74 C ATOM 1014 CG GLU A 66 70.843 6.668 10.543 1.00 1.95 C ATOM 1015 CD GLU A 66 72.229 6.637 9.897 1.00 2.73 C ATOM 1016 OE1 GLU A 66 72.590 5.599 9.366 1.00 3.39 O ATOM 1017 OE2 GLU A 66 72.907 7.650 9.945 1.00 3.12 O ATOM 0 H GLU A 66 69.395 4.493 10.325 1.00 1.15 H new ATOM 0 HA GLU A 66 69.328 4.964 13.144 1.00 1.37 H new ATOM 0 HB2 GLU A 66 71.397 6.197 12.578 1.00 1.74 H new ATOM 0 HB3 GLU A 66 71.309 4.799 11.524 1.00 1.74 H new ATOM 0 HG2 GLU A 66 70.088 6.348 9.825 1.00 1.95 H new ATOM 0 HG3 GLU A 66 70.591 7.686 10.839 1.00 1.95 H new ATOM 1024 N ASP A 67 68.107 7.396 11.370 1.00 1.42 N ATOM 1025 CA ASP A 67 67.388 8.694 11.509 1.00 1.67 C ATOM 1026 C ASP A 67 66.029 8.478 12.178 1.00 1.70 C ATOM 1027 O ASP A 67 65.323 9.415 12.493 1.00 2.12 O ATOM 1028 CB ASP A 67 67.207 9.203 10.078 1.00 2.50 C ATOM 1029 CG ASP A 67 68.553 9.173 9.351 1.00 3.17 C ATOM 1030 OD1 ASP A 67 69.560 9.413 9.996 1.00 3.83 O ATOM 1031 OD2 ASP A 67 68.553 8.909 8.159 1.00 3.45 O ATOM 0 H ASP A 67 68.122 7.007 10.427 1.00 1.42 H new ATOM 0 HA ASP A 67 67.936 9.405 12.128 1.00 1.67 H new ATOM 0 HB2 ASP A 67 66.482 8.584 9.549 1.00 2.50 H new ATOM 0 HB3 ASP A 67 66.810 10.218 10.089 1.00 2.50 H new ATOM 1036 N GLY A 68 65.654 7.246 12.396 1.00 1.77 N ATOM 1037 CA GLY A 68 64.340 6.970 13.042 1.00 2.43 C ATOM 1038 C GLY A 68 63.252 7.804 12.365 1.00 2.01 C ATOM 1039 O GLY A 68 62.268 8.173 12.974 1.00 2.65 O ATOM 0 H GLY A 68 66.201 6.420 12.154 1.00 1.77 H new ATOM 0 HA2 GLY A 68 64.101 5.909 12.965 1.00 2.43 H new ATOM 0 HA3 GLY A 68 64.388 7.209 14.104 1.00 2.43 H new ATOM 1043 N SER A 69 63.420 8.105 11.106 1.00 1.59 N ATOM 1044 CA SER A 69 62.394 8.917 10.389 1.00 1.99 C ATOM 1045 C SER A 69 61.443 8.003 9.612 1.00 1.42 C ATOM 1046 O SER A 69 60.373 8.408 9.203 1.00 1.97 O ATOM 1047 CB SER A 69 63.189 9.802 9.430 1.00 2.89 C ATOM 1048 OG SER A 69 64.283 9.062 8.906 1.00 3.53 O ATOM 0 H SER A 69 64.223 7.824 10.543 1.00 1.59 H new ATOM 0 HA SER A 69 61.781 9.504 11.073 1.00 1.99 H new ATOM 0 HB2 SER A 69 62.547 10.148 8.619 1.00 2.89 H new ATOM 0 HB3 SER A 69 63.551 10.689 9.950 1.00 2.89 H new ATOM 0 HG SER A 69 64.158 8.931 7.943 1.00 3.53 H new ATOM 1054 N GLY A 70 61.826 6.773 9.405 1.00 1.23 N ATOM 1055 CA GLY A 70 60.943 5.836 8.654 1.00 1.51 C ATOM 1056 C GLY A 70 61.283 5.896 7.164 1.00 1.28 C ATOM 1057 O GLY A 70 60.888 5.044 6.392 1.00 1.42 O ATOM 0 H GLY A 70 62.711 6.377 9.723 1.00 1.23 H new ATOM 0 HA2 GLY A 70 61.073 4.820 9.027 1.00 1.51 H new ATOM 0 HA3 GLY A 70 59.897 6.101 8.810 1.00 1.51 H new ATOM 1061 N THR A 71 62.014 6.896 6.753 1.00 1.12 N ATOM 1062 CA THR A 71 62.380 7.011 5.311 1.00 0.98 C ATOM 1063 C THR A 71 63.784 6.446 5.077 1.00 0.88 C ATOM 1064 O THR A 71 64.617 6.443 5.962 1.00 0.92 O ATOM 1065 CB THR A 71 62.349 8.511 5.012 1.00 1.11 C ATOM 1066 OG1 THR A 71 63.094 9.205 6.004 1.00 1.83 O ATOM 1067 CG2 THR A 71 60.901 9.006 5.018 1.00 1.34 C ATOM 0 H THR A 71 62.374 7.639 7.353 1.00 1.12 H new ATOM 0 HA THR A 71 61.701 6.453 4.666 1.00 0.98 H new ATOM 0 HB THR A 71 62.788 8.695 4.032 1.00 1.11 H new ATOM 0 HG1 THR A 71 63.077 10.166 5.813 1.00 1.83 H new ATOM 0 HG21 THR A 71 60.881 10.075 4.805 1.00 1.34 H new ATOM 0 HG22 THR A 71 60.331 8.473 4.257 1.00 1.34 H new ATOM 0 HG23 THR A 71 60.458 8.823 5.997 1.00 1.34 H new ATOM 1075 N VAL A 72 64.054 5.968 3.893 1.00 0.83 N ATOM 1076 CA VAL A 72 65.406 5.403 3.609 1.00 0.76 C ATOM 1077 C VAL A 72 66.204 6.367 2.728 1.00 0.68 C ATOM 1078 O VAL A 72 65.879 6.586 1.578 1.00 0.72 O ATOM 1079 CB VAL A 72 65.153 4.089 2.864 1.00 0.79 C ATOM 1080 CG1 VAL A 72 66.388 3.199 2.978 1.00 0.87 C ATOM 1081 CG2 VAL A 72 63.952 3.364 3.476 1.00 1.02 C ATOM 0 H VAL A 72 63.399 5.944 3.111 1.00 0.83 H new ATOM 0 HA VAL A 72 65.981 5.246 4.521 1.00 0.76 H new ATOM 0 HB VAL A 72 64.946 4.306 1.816 1.00 0.79 H new ATOM 0 HG11 VAL A 72 66.212 2.263 2.449 1.00 0.87 H new ATOM 0 HG12 VAL A 72 67.245 3.708 2.538 1.00 0.87 H new ATOM 0 HG13 VAL A 72 66.590 2.990 4.028 1.00 0.87 H new ATOM 0 HG21 VAL A 72 63.779 2.431 2.940 1.00 1.02 H new ATOM 0 HG22 VAL A 72 64.153 3.148 4.525 1.00 1.02 H new ATOM 0 HG23 VAL A 72 63.067 3.996 3.399 1.00 1.02 H new ATOM 1091 N ASP A 73 67.247 6.944 3.257 1.00 0.72 N ATOM 1092 CA ASP A 73 68.066 7.891 2.448 1.00 0.76 C ATOM 1093 C ASP A 73 69.158 7.130 1.692 1.00 0.83 C ATOM 1094 O ASP A 73 69.362 5.950 1.899 1.00 1.49 O ATOM 1095 CB ASP A 73 68.686 8.847 3.466 1.00 0.98 C ATOM 1096 CG ASP A 73 69.018 10.175 2.784 1.00 1.30 C ATOM 1097 OD1 ASP A 73 68.360 10.499 1.809 1.00 1.99 O ATOM 1098 OD2 ASP A 73 69.925 10.847 3.250 1.00 1.89 O ATOM 0 H ASP A 73 67.568 6.801 4.215 1.00 0.72 H new ATOM 0 HA ASP A 73 67.472 8.419 1.702 1.00 0.76 H new ATOM 0 HB2 ASP A 73 67.995 9.013 4.292 1.00 0.98 H new ATOM 0 HB3 ASP A 73 69.589 8.408 3.890 1.00 0.98 H new ATOM 1103 N PHE A 74 69.863 7.795 0.819 1.00 0.67 N ATOM 1104 CA PHE A 74 70.939 7.106 0.052 1.00 0.64 C ATOM 1105 C PHE A 74 71.845 6.318 1.003 1.00 0.73 C ATOM 1106 O PHE A 74 72.130 5.157 0.784 1.00 0.87 O ATOM 1107 CB PHE A 74 71.723 8.230 -0.630 1.00 0.79 C ATOM 1108 CG PHE A 74 72.340 7.708 -1.905 1.00 0.86 C ATOM 1109 CD1 PHE A 74 73.311 6.701 -1.852 1.00 1.68 C ATOM 1110 CD2 PHE A 74 71.943 8.232 -3.140 1.00 1.33 C ATOM 1111 CE1 PHE A 74 73.884 6.218 -3.033 1.00 1.78 C ATOM 1112 CE2 PHE A 74 72.516 7.749 -4.323 1.00 1.45 C ATOM 1113 CZ PHE A 74 73.487 6.741 -4.269 1.00 1.20 C ATOM 0 H PHE A 74 69.741 8.784 0.604 1.00 0.67 H new ATOM 0 HA PHE A 74 70.540 6.393 -0.669 1.00 0.64 H new ATOM 0 HB2 PHE A 74 71.062 9.068 -0.849 1.00 0.79 H new ATOM 0 HB3 PHE A 74 72.500 8.603 0.037 1.00 0.79 H new ATOM 0 HD1 PHE A 74 73.618 6.297 -0.899 1.00 1.68 H new ATOM 0 HD2 PHE A 74 71.194 9.009 -3.181 1.00 1.33 H new ATOM 0 HE1 PHE A 74 74.633 5.441 -2.991 1.00 1.78 H new ATOM 0 HE2 PHE A 74 72.209 8.153 -5.276 1.00 1.45 H new ATOM 0 HZ PHE A 74 73.929 6.367 -5.181 1.00 1.20 H new ATOM 1123 N ASP A 75 72.299 6.938 2.058 1.00 0.94 N ATOM 1124 CA ASP A 75 73.184 6.221 3.019 1.00 1.11 C ATOM 1125 C ASP A 75 72.447 5.024 3.628 1.00 0.90 C ATOM 1126 O ASP A 75 73.031 3.992 3.889 1.00 0.94 O ATOM 1127 CB ASP A 75 73.520 7.255 4.095 1.00 1.45 C ATOM 1128 CG ASP A 75 72.308 7.466 5.004 1.00 2.16 C ATOM 1129 OD1 ASP A 75 72.195 6.748 5.985 1.00 2.66 O ATOM 1130 OD2 ASP A 75 71.514 8.342 4.705 1.00 2.78 O ATOM 0 H ASP A 75 72.096 7.909 2.296 1.00 0.94 H new ATOM 0 HA ASP A 75 74.081 5.827 2.541 1.00 1.11 H new ATOM 0 HB2 ASP A 75 74.373 6.918 4.683 1.00 1.45 H new ATOM 0 HB3 ASP A 75 73.806 8.198 3.630 1.00 1.45 H new ATOM 1135 N GLU A 76 71.169 5.154 3.854 1.00 0.81 N ATOM 1136 CA GLU A 76 70.396 4.023 4.444 1.00 0.76 C ATOM 1137 C GLU A 76 70.043 3.003 3.358 1.00 0.62 C ATOM 1138 O GLU A 76 70.349 1.832 3.470 1.00 0.61 O ATOM 1139 CB GLU A 76 69.127 4.661 5.008 1.00 0.93 C ATOM 1140 CG GLU A 76 69.418 5.246 6.391 1.00 1.09 C ATOM 1141 CD GLU A 76 68.154 5.907 6.944 1.00 1.59 C ATOM 1142 OE1 GLU A 76 67.308 6.280 6.148 1.00 1.93 O ATOM 1143 OE2 GLU A 76 68.054 6.029 8.153 1.00 2.25 O ATOM 0 H GLU A 76 70.626 5.994 3.656 1.00 0.81 H new ATOM 0 HA GLU A 76 70.961 3.492 5.210 1.00 0.76 H new ATOM 0 HB2 GLU A 76 68.773 5.444 4.338 1.00 0.93 H new ATOM 0 HB3 GLU A 76 68.333 3.917 5.076 1.00 0.93 H new ATOM 0 HG2 GLU A 76 69.755 4.459 7.066 1.00 1.09 H new ATOM 0 HG3 GLU A 76 70.224 5.977 6.326 1.00 1.09 H new ATOM 1150 N PHE A 77 69.400 3.439 2.309 1.00 0.59 N ATOM 1151 CA PHE A 77 69.025 2.496 1.215 1.00 0.57 C ATOM 1152 C PHE A 77 70.180 1.535 0.924 1.00 0.59 C ATOM 1153 O PHE A 77 69.974 0.392 0.567 1.00 0.71 O ATOM 1154 CB PHE A 77 68.749 3.383 0.001 1.00 0.62 C ATOM 1155 CG PHE A 77 68.235 2.534 -1.137 1.00 0.72 C ATOM 1156 CD1 PHE A 77 67.025 1.842 -1.004 1.00 1.51 C ATOM 1157 CD2 PHE A 77 68.968 2.437 -2.327 1.00 1.42 C ATOM 1158 CE1 PHE A 77 66.547 1.056 -2.059 1.00 1.76 C ATOM 1159 CE2 PHE A 77 68.490 1.649 -3.382 1.00 1.60 C ATOM 1160 CZ PHE A 77 67.280 0.959 -3.248 1.00 1.37 C ATOM 0 H PHE A 77 69.118 4.408 2.162 1.00 0.59 H new ATOM 0 HA PHE A 77 68.162 1.885 1.478 1.00 0.57 H new ATOM 0 HB2 PHE A 77 68.017 4.149 0.256 1.00 0.62 H new ATOM 0 HB3 PHE A 77 69.660 3.900 -0.300 1.00 0.62 H new ATOM 0 HD1 PHE A 77 66.460 1.915 -0.086 1.00 1.51 H new ATOM 0 HD2 PHE A 77 69.902 2.970 -2.431 1.00 1.42 H new ATOM 0 HE1 PHE A 77 65.613 0.524 -1.956 1.00 1.76 H new ATOM 0 HE2 PHE A 77 69.056 1.574 -4.299 1.00 1.60 H new ATOM 0 HZ PHE A 77 66.912 0.352 -4.062 1.00 1.37 H new ATOM 1170 N LEU A 78 71.395 1.988 1.075 1.00 0.57 N ATOM 1171 CA LEU A 78 72.558 1.094 0.807 1.00 0.62 C ATOM 1172 C LEU A 78 72.667 0.030 1.901 1.00 0.61 C ATOM 1173 O LEU A 78 72.488 -1.145 1.654 1.00 0.68 O ATOM 1174 CB LEU A 78 73.779 2.014 0.821 1.00 0.66 C ATOM 1175 CG LEU A 78 73.928 2.677 -0.549 1.00 0.73 C ATOM 1176 CD1 LEU A 78 75.029 3.738 -0.491 1.00 1.10 C ATOM 1177 CD2 LEU A 78 74.299 1.617 -1.588 1.00 1.34 C ATOM 0 H LEU A 78 71.632 2.935 1.371 1.00 0.57 H new ATOM 0 HA LEU A 78 72.464 0.564 -0.141 1.00 0.62 H new ATOM 0 HB2 LEU A 78 73.668 2.773 1.595 1.00 0.66 H new ATOM 0 HB3 LEU A 78 74.676 1.443 1.061 1.00 0.66 H new ATOM 0 HG LEU A 78 72.986 3.149 -0.827 1.00 0.73 H new ATOM 0 HD11 LEU A 78 75.133 4.209 -1.469 1.00 1.10 H new ATOM 0 HD12 LEU A 78 74.767 4.494 0.250 1.00 1.10 H new ATOM 0 HD13 LEU A 78 75.972 3.268 -0.212 1.00 1.10 H new ATOM 0 HD21 LEU A 78 74.406 2.087 -2.565 1.00 1.34 H new ATOM 0 HD22 LEU A 78 75.241 1.146 -1.307 1.00 1.34 H new ATOM 0 HD23 LEU A 78 73.515 0.861 -1.633 1.00 1.34 H new ATOM 1189 N VAL A 79 72.951 0.427 3.112 1.00 0.64 N ATOM 1190 CA VAL A 79 73.060 -0.573 4.213 1.00 0.68 C ATOM 1191 C VAL A 79 71.849 -1.508 4.184 1.00 0.78 C ATOM 1192 O VAL A 79 71.982 -2.707 4.035 1.00 0.92 O ATOM 1193 CB VAL A 79 73.073 0.249 5.500 1.00 0.73 C ATOM 1194 CG1 VAL A 79 73.015 -0.692 6.705 1.00 1.15 C ATOM 1195 CG2 VAL A 79 74.358 1.078 5.562 1.00 0.91 C ATOM 0 H VAL A 79 73.112 1.396 3.386 1.00 0.64 H new ATOM 0 HA VAL A 79 73.951 -1.195 4.124 1.00 0.68 H new ATOM 0 HB VAL A 79 72.210 0.915 5.516 1.00 0.73 H new ATOM 0 HG11 VAL A 79 73.024 -0.107 7.624 1.00 1.15 H new ATOM 0 HG12 VAL A 79 72.101 -1.284 6.661 1.00 1.15 H new ATOM 0 HG13 VAL A 79 73.879 -1.357 6.689 1.00 1.15 H new ATOM 0 HG21 VAL A 79 74.368 1.665 6.480 1.00 0.91 H new ATOM 0 HG22 VAL A 79 75.221 0.413 5.547 1.00 0.91 H new ATOM 0 HG23 VAL A 79 74.401 1.747 4.703 1.00 0.91 H new ATOM 1205 N MET A 80 70.668 -0.971 4.318 1.00 0.82 N ATOM 1206 CA MET A 80 69.456 -1.838 4.289 1.00 0.93 C ATOM 1207 C MET A 80 69.526 -2.778 3.083 1.00 0.92 C ATOM 1208 O MET A 80 68.984 -3.865 3.098 1.00 0.99 O ATOM 1209 CB MET A 80 68.276 -0.872 4.157 1.00 1.04 C ATOM 1210 CG MET A 80 68.393 -0.096 2.847 1.00 1.05 C ATOM 1211 SD MET A 80 67.384 -0.899 1.577 1.00 1.64 S ATOM 1212 CE MET A 80 65.784 -0.681 2.392 1.00 1.27 C ATOM 0 H MET A 80 70.490 0.025 4.446 1.00 0.82 H new ATOM 0 HA MET A 80 69.364 -2.461 5.179 1.00 0.93 H new ATOM 0 HB2 MET A 80 67.337 -1.424 4.182 1.00 1.04 H new ATOM 0 HB3 MET A 80 68.262 -0.182 5.000 1.00 1.04 H new ATOM 0 HG2 MET A 80 68.064 0.933 2.991 1.00 1.05 H new ATOM 0 HG3 MET A 80 69.434 -0.056 2.528 1.00 1.05 H new ATOM 0 HE1 MET A 80 65.037 -0.386 1.655 1.00 1.27 H new ATOM 0 HE2 MET A 80 65.483 -1.619 2.858 1.00 1.27 H new ATOM 0 HE3 MET A 80 65.867 0.093 3.155 1.00 1.27 H new ATOM 1222 N MET A 81 70.198 -2.367 2.041 1.00 0.86 N ATOM 1223 CA MET A 81 70.316 -3.236 0.835 1.00 0.88 C ATOM 1224 C MET A 81 71.383 -4.310 1.070 1.00 0.90 C ATOM 1225 O MET A 81 71.101 -5.492 1.064 1.00 1.04 O ATOM 1226 CB MET A 81 70.739 -2.291 -0.291 1.00 0.86 C ATOM 1227 CG MET A 81 69.552 -2.035 -1.218 1.00 0.97 C ATOM 1228 SD MET A 81 68.958 -3.608 -1.887 1.00 1.31 S ATOM 1229 CE MET A 81 67.255 -3.087 -2.202 1.00 0.93 C ATOM 0 H MET A 81 70.671 -1.466 1.973 1.00 0.86 H new ATOM 0 HA MET A 81 69.387 -3.755 0.600 1.00 0.88 H new ATOM 0 HB2 MET A 81 71.097 -1.350 0.126 1.00 0.86 H new ATOM 0 HB3 MET A 81 71.565 -2.726 -0.853 1.00 0.86 H new ATOM 0 HG2 MET A 81 68.752 -1.535 -0.672 1.00 0.97 H new ATOM 0 HG3 MET A 81 69.848 -1.371 -2.030 1.00 0.97 H new ATOM 0 HE1 MET A 81 66.814 -3.727 -2.967 1.00 0.93 H new ATOM 0 HE2 MET A 81 66.674 -3.167 -1.283 1.00 0.93 H new ATOM 0 HE3 MET A 81 67.249 -2.053 -2.546 1.00 0.93 H new ATOM 1239 N VAL A 82 72.605 -3.905 1.282 1.00 0.81 N ATOM 1240 CA VAL A 82 73.691 -4.899 1.525 1.00 0.87 C ATOM 1241 C VAL A 82 73.328 -5.787 2.718 1.00 0.93 C ATOM 1242 O VAL A 82 73.865 -6.864 2.892 1.00 1.06 O ATOM 1243 CB VAL A 82 74.929 -4.055 1.835 1.00 0.86 C ATOM 1244 CG1 VAL A 82 74.586 -3.021 2.904 1.00 1.12 C ATOM 1245 CG2 VAL A 82 76.050 -4.954 2.358 1.00 1.38 C ATOM 0 H VAL A 82 72.899 -2.929 1.298 1.00 0.81 H new ATOM 0 HA VAL A 82 73.853 -5.561 0.674 1.00 0.87 H new ATOM 0 HB VAL A 82 75.255 -3.554 0.924 1.00 0.86 H new ATOM 0 HG11 VAL A 82 75.468 -2.420 3.125 1.00 1.12 H new ATOM 0 HG12 VAL A 82 73.787 -2.374 2.541 1.00 1.12 H new ATOM 0 HG13 VAL A 82 74.258 -3.530 3.810 1.00 1.12 H new ATOM 0 HG21 VAL A 82 76.929 -4.349 2.577 1.00 1.38 H new ATOM 0 HG22 VAL A 82 75.719 -5.456 3.267 1.00 1.38 H new ATOM 0 HG23 VAL A 82 76.301 -5.699 1.603 1.00 1.38 H new ATOM 1255 N ARG A 83 72.419 -5.344 3.542 1.00 0.92 N ATOM 1256 CA ARG A 83 72.018 -6.159 4.725 1.00 1.06 C ATOM 1257 C ARG A 83 71.191 -7.371 4.283 1.00 1.17 C ATOM 1258 O ARG A 83 71.490 -8.497 4.630 1.00 1.35 O ATOM 1259 CB ARG A 83 71.173 -5.217 5.582 1.00 1.12 C ATOM 1260 CG ARG A 83 72.087 -4.412 6.510 1.00 1.21 C ATOM 1261 CD ARG A 83 71.240 -3.697 7.564 1.00 1.42 C ATOM 1262 NE ARG A 83 72.165 -3.467 8.708 1.00 1.54 N ATOM 1263 CZ ARG A 83 72.658 -4.481 9.366 1.00 1.90 C ATOM 1264 NH1 ARG A 83 72.181 -5.680 9.173 1.00 1.93 N ATOM 1265 NH2 ARG A 83 73.630 -4.295 10.218 1.00 2.73 N ATOM 0 H ARG A 83 71.935 -4.451 3.448 1.00 0.92 H new ATOM 0 HA ARG A 83 72.879 -6.548 5.269 1.00 1.06 H new ATOM 0 HB2 ARG A 83 70.600 -4.543 4.944 1.00 1.12 H new ATOM 0 HB3 ARG A 83 70.454 -5.789 6.169 1.00 1.12 H new ATOM 0 HG2 ARG A 83 72.806 -5.073 6.993 1.00 1.21 H new ATOM 0 HG3 ARG A 83 72.659 -3.685 5.934 1.00 1.21 H new ATOM 0 HD2 ARG A 83 70.844 -2.756 7.181 1.00 1.42 H new ATOM 0 HD3 ARG A 83 70.386 -4.304 7.863 1.00 1.42 H new ATOM 0 HE ARG A 83 72.414 -2.515 8.978 1.00 1.54 H new ATOM 0 HH11 ARG A 83 71.422 -5.826 8.507 1.00 1.93 H new ATOM 0 HH12 ARG A 83 72.567 -6.471 9.688 1.00 1.93 H new ATOM 0 HH21 ARG A 83 74.003 -3.358 10.369 1.00 2.73 H new ATOM 0 HH22 ARG A 83 74.016 -5.087 10.733 1.00 2.73 H new ATOM 1279 N CYS A 84 70.153 -7.150 3.524 1.00 1.21 N ATOM 1280 CA CYS A 84 69.308 -8.292 3.066 1.00 1.46 C ATOM 1281 C CYS A 84 70.007 -9.052 1.936 1.00 1.52 C ATOM 1282 O CYS A 84 69.856 -10.249 1.794 1.00 1.97 O ATOM 1283 CB CYS A 84 68.016 -7.651 2.560 1.00 1.72 C ATOM 1284 SG CYS A 84 66.680 -8.871 2.605 1.00 2.58 S ATOM 0 H CYS A 84 69.853 -6.230 3.201 1.00 1.21 H new ATOM 0 HA CYS A 84 69.122 -9.012 3.863 1.00 1.46 H new ATOM 0 HB2 CYS A 84 67.758 -6.791 3.177 1.00 1.72 H new ATOM 0 HB3 CYS A 84 68.154 -7.284 1.543 1.00 1.72 H new ATOM 0 HG CYS A 84 65.580 -8.326 2.177 1.00 2.58 H new ATOM 1290 N MET A 85 70.769 -8.366 1.129 1.00 1.31 N ATOM 1291 CA MET A 85 71.475 -9.050 0.008 1.00 1.51 C ATOM 1292 C MET A 85 72.190 -10.304 0.519 1.00 1.66 C ATOM 1293 O MET A 85 71.890 -11.410 0.117 1.00 2.46 O ATOM 1294 CB MET A 85 72.488 -8.026 -0.506 1.00 1.47 C ATOM 1295 CG MET A 85 71.815 -7.111 -1.531 1.00 1.57 C ATOM 1296 SD MET A 85 73.064 -6.463 -2.670 1.00 1.89 S ATOM 1297 CE MET A 85 72.826 -4.709 -2.294 1.00 1.57 C ATOM 0 H MET A 85 70.933 -7.362 1.197 1.00 1.31 H new ATOM 0 HA MET A 85 70.790 -9.373 -0.775 1.00 1.51 H new ATOM 0 HB2 MET A 85 72.877 -7.436 0.324 1.00 1.47 H new ATOM 0 HB3 MET A 85 73.337 -8.536 -0.961 1.00 1.47 H new ATOM 0 HG2 MET A 85 71.054 -7.663 -2.083 1.00 1.57 H new ATOM 0 HG3 MET A 85 71.308 -6.290 -1.024 1.00 1.57 H new ATOM 0 HE1 MET A 85 73.376 -4.104 -3.016 1.00 1.57 H new ATOM 0 HE2 MET A 85 71.765 -4.466 -2.350 1.00 1.57 H new ATOM 0 HE3 MET A 85 73.194 -4.499 -1.290 1.00 1.57 H new ATOM 1307 N LYS A 86 73.136 -10.137 1.402 1.00 1.46 N ATOM 1308 CA LYS A 86 73.872 -11.317 1.938 1.00 1.86 C ATOM 1309 C LYS A 86 73.826 -11.319 3.470 1.00 2.10 C ATOM 1310 O LYS A 86 74.729 -10.843 4.127 1.00 2.77 O ATOM 1311 CB LYS A 86 75.310 -11.141 1.446 1.00 2.69 C ATOM 1312 CG LYS A 86 76.238 -12.082 2.218 1.00 3.47 C ATOM 1313 CD LYS A 86 76.944 -13.020 1.237 1.00 4.38 C ATOM 1314 CE LYS A 86 77.911 -13.927 2.002 1.00 5.10 C ATOM 1315 NZ LYS A 86 77.161 -15.197 2.212 1.00 5.92 N ATOM 0 H LYS A 86 73.431 -9.235 1.775 1.00 1.46 H new ATOM 0 HA LYS A 86 73.438 -12.260 1.606 1.00 1.86 H new ATOM 0 HB2 LYS A 86 75.368 -11.353 0.378 1.00 2.69 H new ATOM 0 HB3 LYS A 86 75.628 -10.107 1.584 1.00 2.69 H new ATOM 0 HG2 LYS A 86 76.973 -11.505 2.779 1.00 3.47 H new ATOM 0 HG3 LYS A 86 75.666 -12.661 2.943 1.00 3.47 H new ATOM 0 HD2 LYS A 86 76.210 -13.623 0.702 1.00 4.38 H new ATOM 0 HD3 LYS A 86 77.486 -12.441 0.490 1.00 4.38 H new ATOM 0 HE2 LYS A 86 78.826 -14.098 1.434 1.00 5.10 H new ATOM 0 HE3 LYS A 86 78.204 -13.480 2.952 1.00 5.10 H new ATOM 0 HZ1 LYS A 86 77.759 -15.871 2.731 1.00 5.92 H new ATOM 0 HZ2 LYS A 86 76.299 -15.004 2.761 1.00 5.92 H new ATOM 0 HZ3 LYS A 86 76.901 -15.603 1.291 1.00 5.92 H new ATOM 1329 N ASP A 87 72.779 -11.850 4.043 1.00 2.49 N ATOM 1330 CA ASP A 87 72.680 -11.879 5.531 1.00 3.49 C ATOM 1331 C ASP A 87 73.502 -13.040 6.095 1.00 4.14 C ATOM 1332 O ASP A 87 73.544 -14.116 5.530 1.00 4.30 O ATOM 1333 CB ASP A 87 71.193 -12.083 5.828 1.00 4.13 C ATOM 1334 CG ASP A 87 70.979 -12.145 7.341 1.00 5.17 C ATOM 1335 OD1 ASP A 87 71.207 -11.139 7.993 1.00 5.90 O ATOM 1336 OD2 ASP A 87 70.594 -13.198 7.823 1.00 5.51 O ATOM 0 H ASP A 87 71.990 -12.264 3.546 1.00 2.49 H new ATOM 0 HA ASP A 87 73.065 -10.966 5.986 1.00 3.49 H new ATOM 0 HB2 ASP A 87 70.611 -11.267 5.401 1.00 4.13 H new ATOM 0 HB3 ASP A 87 70.841 -13.003 5.362 1.00 4.13 H new ATOM 1341 N ASP A 88 74.159 -12.833 7.204 1.00 4.97 N ATOM 1342 CA ASP A 88 74.978 -13.926 7.800 1.00 5.97 C ATOM 1343 C ASP A 88 74.371 -14.376 9.133 1.00 6.80 C ATOM 1344 O ASP A 88 73.971 -15.512 9.290 1.00 7.43 O ATOM 1345 CB ASP A 88 76.361 -13.312 8.020 1.00 6.65 C ATOM 1346 CG ASP A 88 77.390 -14.428 8.211 1.00 6.90 C ATOM 1347 OD1 ASP A 88 77.323 -15.103 9.225 1.00 7.08 O ATOM 1348 OD2 ASP A 88 78.229 -14.588 7.340 1.00 7.19 O ATOM 0 H ASP A 88 74.164 -11.955 7.723 1.00 4.97 H new ATOM 0 HA ASP A 88 75.021 -14.806 7.158 1.00 5.97 H new ATOM 0 HB2 ASP A 88 76.635 -12.692 7.167 1.00 6.65 H new ATOM 0 HB3 ASP A 88 76.347 -12.662 8.895 1.00 6.65 H new ATOM 1353 N SER A 89 74.300 -13.494 10.092 1.00 7.04 N ATOM 1354 CA SER A 89 73.718 -13.876 11.412 1.00 8.10 C ATOM 1355 C SER A 89 72.379 -14.589 11.211 1.00 8.42 C ATOM 1356 O SER A 89 72.299 -15.762 11.540 1.00 8.45 O ATOM 1357 CB SER A 89 73.516 -12.555 12.154 1.00 8.54 C ATOM 1358 OG SER A 89 74.351 -11.559 11.577 1.00 8.99 O ATOM 1359 OXT SER A 89 71.456 -13.952 10.731 1.00 8.86 O ATOM 0 H SER A 89 74.619 -12.528 10.020 1.00 7.04 H new ATOM 0 HA SER A 89 74.362 -14.559 11.966 1.00 8.10 H new ATOM 0 HB2 SER A 89 72.472 -12.248 12.096 1.00 8.54 H new ATOM 0 HB3 SER A 89 73.754 -12.678 13.211 1.00 8.54 H new ATOM 0 HG SER A 89 73.842 -11.051 10.911 1.00 8.99 H new TER 1365 SER A 89 HETATM 1366 CA CA A 90 66.272 7.303 8.023 1.00 0.00 CA