USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 598 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 33 GLN : amide:sc= -17.5! C(o=-16!,f=-17!) USER MOD Set 1.2: A 64 THR OG1 : rot 55:sc= 1.25 USER MOD Set 2.1: A 29 SER OG : rot -74:sc= 1.21 USER MOD Set 2.2: A 30 HIS : no HE2:sc= -1.38 K(o=-0.18,f=-11!) USER MOD Set 3.1: A 28 TYR OH : rot 180:sc= -0.675 USER MOD Set 3.2: A 54 LYS NZ :NH3+ -143:sc= 0.132 (180deg=-1.29!) USER MOD Single : A 7 LYS NZ :NH3+ -174:sc= 1.37! (180deg=1.16) USER MOD Single : A 13 LYS NZ :NH3+ -118:sc= 0.243 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= 1.11 K(o=1.1,f=-5!) USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.144) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -106:sc= 0.775 (180deg=-1.88!) USER MOD Single : A 24 MET CE :methyl 133:sc= -0.207 (180deg=-1.28!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -84:sc= 0.647 USER MOD Single : A 40 ASN : amide:sc= -0.094 K(o=-0.094,f=-1.1) USER MOD Single : A 41 THR OG1 : rot 105:sc= 0.577! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.711 K(o=-0.71,f=-5.6!) USER MOD Single : A 62 LYS NZ :NH3+ -122:sc= 0.331 (180deg=-3.05!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -128:sc= 0.578 (180deg=-2.41!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -108:sc= 0.43 (180deg=-3.73!) USER MOD Single : A 73 TYR OH : rot 70:sc= -1.5 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -126:sc= 1.52 (180deg=-0.134) USER MOD Single : A 82 LYS NZ :NH3+ -133:sc= 0.766 (180deg=-0.119) USER MOD Single : A 83 LYS NZ :NH3+ -113:sc= 1.05 (180deg=-0.995!) USER MOD Single : A 84 TYR OH : rot -175:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 4.695 1.901 -1.682 1.00 0.74 N ATOM 42 CA GLU A 4 5.400 0.841 -0.883 1.00 0.60 C ATOM 43 C GLU A 4 6.853 0.727 -1.326 1.00 0.44 C ATOM 44 O GLU A 4 7.855 0.742 -0.644 1.00 0.78 O ATOM 45 CB GLU A 4 4.611 -0.454 -1.102 1.00 0.55 C ATOM 46 CG GLU A 4 4.094 -1.006 0.241 1.00 0.24 C ATOM 47 CD GLU A 4 5.306 -1.524 0.990 1.00 1.86 C ATOM 48 OE1 GLU A 4 5.919 -0.746 1.701 1.00 2.53 O ATOM 49 OE2 GLU A 4 5.535 -2.697 0.769 1.00 2.85 O ATOM 0 HA GLU A 4 5.433 1.078 0.180 1.00 0.60 H new ATOM 0 HB2 GLU A 4 3.772 -0.266 -1.772 1.00 0.55 H new ATOM 0 HB3 GLU A 4 5.246 -1.196 -1.586 1.00 0.55 H new ATOM 0 HG2 GLU A 4 3.589 -0.227 0.812 1.00 0.24 H new ATOM 0 HG3 GLU A 4 3.368 -1.803 0.079 1.00 0.24 H new ATOM 56 N PHE A 5 6.835 0.630 -2.598 1.00 0.18 N ATOM 57 CA PHE A 5 8.023 0.502 -3.450 1.00 0.13 C ATOM 58 C PHE A 5 8.860 1.772 -3.337 1.00 0.16 C ATOM 59 O PHE A 5 10.060 1.762 -3.165 1.00 0.11 O ATOM 60 CB PHE A 5 7.405 0.237 -4.777 1.00 0.30 C ATOM 61 CG PHE A 5 8.369 0.600 -5.876 1.00 0.27 C ATOM 62 CD1 PHE A 5 8.535 1.904 -6.252 1.00 0.94 C ATOM 63 CD2 PHE A 5 9.077 -0.388 -6.489 1.00 1.44 C ATOM 64 CE1 PHE A 5 9.414 2.216 -7.252 1.00 0.96 C ATOM 65 CE2 PHE A 5 9.959 -0.112 -7.490 1.00 1.47 C ATOM 66 CZ PHE A 5 10.128 1.215 -7.874 1.00 0.32 C ATOM 0 H PHE A 5 5.965 0.635 -3.131 1.00 0.18 H new ATOM 0 HA PHE A 5 8.738 -0.282 -3.199 1.00 0.13 H new ATOM 0 HB2 PHE A 5 7.130 -0.815 -4.856 1.00 0.30 H new ATOM 0 HB3 PHE A 5 6.487 0.815 -4.882 1.00 0.30 H new ATOM 0 HD1 PHE A 5 7.974 2.685 -5.761 1.00 0.94 H new ATOM 0 HD2 PHE A 5 8.937 -1.412 -6.175 1.00 1.44 H new ATOM 0 HE1 PHE A 5 9.548 3.244 -7.553 1.00 0.96 H new ATOM 0 HE2 PHE A 5 10.513 -0.903 -7.973 1.00 1.47 H new ATOM 0 HZ PHE A 5 10.822 1.461 -8.664 1.00 0.32 H new ATOM 76 N ASP A 6 8.153 2.847 -3.467 1.00 0.35 N ATOM 77 CA ASP A 6 8.739 4.200 -3.380 1.00 0.50 C ATOM 78 C ASP A 6 9.644 4.272 -2.149 1.00 0.49 C ATOM 79 O ASP A 6 10.757 4.757 -2.173 1.00 0.66 O ATOM 80 CB ASP A 6 7.494 5.059 -3.357 1.00 0.68 C ATOM 81 CG ASP A 6 6.749 4.911 -4.678 1.00 0.76 C ATOM 82 OD1 ASP A 6 6.080 3.895 -4.793 1.00 1.54 O ATOM 83 OD2 ASP A 6 6.887 5.796 -5.494 1.00 1.10 O ATOM 0 H ASP A 6 7.147 2.841 -3.638 1.00 0.35 H new ATOM 0 HA ASP A 6 9.403 4.518 -4.184 1.00 0.50 H new ATOM 0 HB2 ASP A 6 6.850 4.762 -2.529 1.00 0.68 H new ATOM 0 HB3 ASP A 6 7.763 6.103 -3.194 1.00 0.68 H new ATOM 88 N LYS A 7 9.098 3.747 -1.099 1.00 0.36 N ATOM 89 CA LYS A 7 9.836 3.720 0.189 1.00 0.48 C ATOM 90 C LYS A 7 11.041 2.773 -0.025 1.00 0.36 C ATOM 91 O LYS A 7 12.167 3.087 0.307 1.00 0.35 O ATOM 92 CB LYS A 7 8.882 3.213 1.277 1.00 0.58 C ATOM 93 CG LYS A 7 9.683 3.398 2.584 1.00 1.13 C ATOM 94 CD LYS A 7 8.905 2.828 3.769 1.00 0.71 C ATOM 95 CE LYS A 7 9.420 3.430 5.094 1.00 1.93 C ATOM 96 NZ LYS A 7 10.903 3.274 5.185 1.00 2.12 N ATOM 0 H LYS A 7 8.167 3.332 -1.074 1.00 0.36 H new ATOM 0 HA LYS A 7 10.197 4.699 0.503 1.00 0.48 H new ATOM 0 HB2 LYS A 7 7.953 3.784 1.293 1.00 0.58 H new ATOM 0 HB3 LYS A 7 8.612 2.169 1.118 1.00 0.58 H new ATOM 0 HG2 LYS A 7 10.648 2.899 2.500 1.00 1.13 H new ATOM 0 HG3 LYS A 7 9.885 4.457 2.748 1.00 1.13 H new ATOM 0 HD2 LYS A 7 7.843 3.045 3.653 1.00 0.71 H new ATOM 0 HD3 LYS A 7 9.008 1.743 3.791 1.00 0.71 H new ATOM 0 HE2 LYS A 7 9.153 4.485 5.151 1.00 1.93 H new ATOM 0 HE3 LYS A 7 8.942 2.934 5.938 1.00 1.93 H new ATOM 0 HZ1 LYS A 7 11.228 3.589 6.121 1.00 2.12 H new ATOM 0 HZ2 LYS A 7 11.156 2.275 5.049 1.00 2.12 H new ATOM 0 HZ3 LYS A 7 11.358 3.850 4.449 1.00 2.12 H new ATOM 110 N ALA A 8 10.802 1.613 -0.572 1.00 0.26 N ATOM 111 CA ALA A 8 11.955 0.686 -0.805 1.00 0.19 C ATOM 112 C ALA A 8 13.060 1.502 -1.557 1.00 0.18 C ATOM 113 O ALA A 8 14.228 1.431 -1.208 1.00 0.16 O ATOM 114 CB ALA A 8 11.382 -0.493 -1.594 1.00 0.17 C ATOM 0 H ALA A 8 9.886 1.270 -0.862 1.00 0.26 H new ATOM 0 HA ALA A 8 12.425 0.290 0.095 1.00 0.19 H new ATOM 0 HB1 ALA A 8 12.174 -1.213 -1.800 1.00 0.17 H new ATOM 0 HB2 ALA A 8 10.597 -0.974 -1.010 1.00 0.17 H new ATOM 0 HB3 ALA A 8 10.966 -0.133 -2.535 1.00 0.17 H new ATOM 120 N ALA A 9 12.699 2.264 -2.572 1.00 0.20 N ATOM 121 CA ALA A 9 13.718 3.078 -3.307 1.00 0.15 C ATOM 122 C ALA A 9 14.250 4.315 -2.506 1.00 0.56 C ATOM 123 O ALA A 9 14.759 5.257 -3.078 1.00 1.33 O ATOM 124 CB ALA A 9 13.069 3.513 -4.596 1.00 0.42 C ATOM 0 H ALA A 9 11.744 2.354 -2.918 1.00 0.20 H new ATOM 0 HA ALA A 9 14.603 2.465 -3.476 1.00 0.15 H new ATOM 0 HB1 ALA A 9 13.773 4.113 -5.173 1.00 0.42 H new ATOM 0 HB2 ALA A 9 12.782 2.634 -5.174 1.00 0.42 H new ATOM 0 HB3 ALA A 9 12.182 4.107 -4.375 1.00 0.42 H new ATOM 130 N GLU A 10 14.102 4.263 -1.217 1.00 0.09 N ATOM 131 CA GLU A 10 14.540 5.304 -0.234 1.00 0.33 C ATOM 132 C GLU A 10 15.411 4.435 0.577 1.00 0.41 C ATOM 133 O GLU A 10 16.563 4.744 0.742 1.00 0.61 O ATOM 134 CB GLU A 10 13.311 5.807 0.545 1.00 0.39 C ATOM 135 CG GLU A 10 13.284 5.423 2.068 1.00 1.77 C ATOM 136 CD GLU A 10 12.040 5.886 2.819 1.00 2.38 C ATOM 137 OE1 GLU A 10 11.285 6.697 2.319 1.00 2.07 O ATOM 138 OE2 GLU A 10 11.910 5.364 3.909 1.00 3.46 O ATOM 0 H GLU A 10 13.654 3.468 -0.762 1.00 0.09 H new ATOM 0 HA GLU A 10 15.013 6.210 -0.612 1.00 0.33 H new ATOM 0 HB2 GLU A 10 13.265 6.893 0.459 1.00 0.39 H new ATOM 0 HB3 GLU A 10 12.413 5.412 0.071 1.00 0.39 H new ATOM 0 HG2 GLU A 10 13.364 4.340 2.157 1.00 1.77 H new ATOM 0 HG3 GLU A 10 14.163 5.848 2.552 1.00 1.77 H new ATOM 145 N GLU A 11 14.875 3.363 1.067 1.00 0.26 N ATOM 146 CA GLU A 11 15.724 2.467 1.884 1.00 0.39 C ATOM 147 C GLU A 11 16.907 1.926 1.042 1.00 0.35 C ATOM 148 O GLU A 11 18.039 2.260 1.321 1.00 0.63 O ATOM 149 CB GLU A 11 14.798 1.364 2.381 1.00 0.54 C ATOM 150 CG GLU A 11 13.751 1.949 3.354 1.00 0.54 C ATOM 151 CD GLU A 11 13.640 1.276 4.734 1.00 0.87 C ATOM 152 OE1 GLU A 11 14.544 0.548 5.096 1.00 1.50 O ATOM 153 OE2 GLU A 11 12.621 1.523 5.366 1.00 2.02 O ATOM 0 H GLU A 11 13.906 3.071 0.942 1.00 0.26 H new ATOM 0 HA GLU A 11 16.183 2.981 2.729 1.00 0.39 H new ATOM 0 HB2 GLU A 11 14.297 0.891 1.536 1.00 0.54 H new ATOM 0 HB3 GLU A 11 15.378 0.589 2.882 1.00 0.54 H new ATOM 0 HG2 GLU A 11 13.980 3.004 3.507 1.00 0.54 H new ATOM 0 HG3 GLU A 11 12.774 1.901 2.872 1.00 0.54 H new ATOM 160 N VAL A 12 16.672 1.133 0.019 1.00 0.14 N ATOM 161 CA VAL A 12 17.761 0.564 -0.836 1.00 0.12 C ATOM 162 C VAL A 12 18.855 1.575 -1.123 1.00 0.09 C ATOM 163 O VAL A 12 20.026 1.303 -1.007 1.00 0.11 O ATOM 164 CB VAL A 12 17.065 0.053 -2.097 1.00 0.15 C ATOM 165 CG1 VAL A 12 16.986 1.045 -3.215 1.00 0.23 C ATOM 166 CG2 VAL A 12 17.677 -1.222 -2.540 1.00 0.14 C ATOM 0 H VAL A 12 15.735 0.849 -0.265 1.00 0.14 H new ATOM 0 HA VAL A 12 18.287 -0.247 -0.332 1.00 0.12 H new ATOM 0 HB VAL A 12 16.026 -0.121 -1.816 1.00 0.15 H new ATOM 0 HG11 VAL A 12 16.477 0.594 -4.066 1.00 0.23 H new ATOM 0 HG12 VAL A 12 16.431 1.923 -2.884 1.00 0.23 H new ATOM 0 HG13 VAL A 12 17.993 1.342 -3.510 1.00 0.23 H new ATOM 0 HG21 VAL A 12 17.172 -1.575 -3.439 1.00 0.14 H new ATOM 0 HG22 VAL A 12 18.733 -1.063 -2.756 1.00 0.14 H new ATOM 0 HG23 VAL A 12 17.576 -1.967 -1.751 1.00 0.14 H new ATOM 176 N LYS A 13 18.452 2.747 -1.498 1.00 0.17 N ATOM 177 CA LYS A 13 19.368 3.856 -1.804 1.00 0.29 C ATOM 178 C LYS A 13 20.497 4.109 -0.794 1.00 0.60 C ATOM 179 O LYS A 13 21.465 4.786 -1.111 1.00 0.90 O ATOM 180 CB LYS A 13 18.481 5.056 -1.911 1.00 0.27 C ATOM 181 CG LYS A 13 18.660 5.740 -3.196 1.00 0.55 C ATOM 182 CD LYS A 13 19.589 6.964 -2.896 1.00 1.35 C ATOM 183 CE LYS A 13 20.560 7.262 -4.004 1.00 1.45 C ATOM 184 NZ LYS A 13 21.803 6.477 -3.751 1.00 2.67 N ATOM 0 H LYS A 13 17.467 2.988 -1.609 1.00 0.17 H new ATOM 0 HA LYS A 13 19.918 3.613 -2.713 1.00 0.29 H new ATOM 0 HB2 LYS A 13 17.440 4.752 -1.801 1.00 0.27 H new ATOM 0 HB3 LYS A 13 18.700 5.746 -1.096 1.00 0.27 H new ATOM 0 HG2 LYS A 13 19.112 5.077 -3.934 1.00 0.55 H new ATOM 0 HG3 LYS A 13 17.703 6.065 -3.604 1.00 0.55 H new ATOM 0 HD2 LYS A 13 18.971 7.844 -2.718 1.00 1.35 H new ATOM 0 HD3 LYS A 13 20.144 6.773 -1.978 1.00 1.35 H new ATOM 0 HE2 LYS A 13 20.130 6.995 -4.969 1.00 1.45 H new ATOM 0 HE3 LYS A 13 20.783 8.328 -4.039 1.00 1.45 H new ATOM 0 HZ1 LYS A 13 22.603 7.128 -3.614 1.00 2.67 H new ATOM 0 HZ2 LYS A 13 21.679 5.896 -2.897 1.00 2.67 H new ATOM 0 HZ3 LYS A 13 21.995 5.859 -4.565 1.00 2.67 H new ATOM 198 N HIS A 14 20.251 3.548 0.363 1.00 0.64 N ATOM 199 CA HIS A 14 21.174 3.652 1.526 1.00 0.96 C ATOM 200 C HIS A 14 21.915 2.353 1.881 1.00 0.95 C ATOM 201 O HIS A 14 22.593 2.301 2.891 1.00 1.09 O ATOM 202 CB HIS A 14 20.316 4.163 2.720 1.00 1.06 C ATOM 203 CG HIS A 14 19.765 5.564 2.430 1.00 1.21 C ATOM 204 ND1 HIS A 14 18.600 5.854 1.939 1.00 1.17 N ATOM 205 CD2 HIS A 14 20.371 6.794 2.617 1.00 1.45 C ATOM 206 CE1 HIS A 14 18.487 7.143 1.830 1.00 1.38 C ATOM 207 NE2 HIS A 14 19.564 7.765 2.240 1.00 1.55 N ATOM 0 H HIS A 14 19.412 3.000 0.552 1.00 0.64 H new ATOM 0 HA HIS A 14 21.981 4.339 1.272 1.00 0.96 H new ATOM 0 HB2 HIS A 14 19.492 3.473 2.904 1.00 1.06 H new ATOM 0 HB3 HIS A 14 20.921 4.185 3.626 1.00 1.06 H new ATOM 0 HD1 HIS A 14 17.884 5.175 1.679 1.00 1.17 H new ATOM 0 HD2 HIS A 14 21.364 6.938 3.015 1.00 1.45 H new ATOM 0 HE1 HIS A 14 17.609 7.643 1.447 1.00 1.38 H new ATOM 215 N LEU A 15 21.787 1.314 1.093 1.00 0.78 N ATOM 216 CA LEU A 15 22.488 0.042 1.368 1.00 0.81 C ATOM 217 C LEU A 15 23.986 0.330 1.398 1.00 1.05 C ATOM 218 O LEU A 15 24.638 0.267 0.375 1.00 1.30 O ATOM 219 CB LEU A 15 22.147 -0.907 0.253 1.00 0.69 C ATOM 220 CG LEU A 15 20.685 -1.242 0.256 1.00 0.44 C ATOM 221 CD1 LEU A 15 20.437 -1.930 -1.046 1.00 0.45 C ATOM 222 CD2 LEU A 15 20.345 -2.226 1.330 1.00 0.36 C ATOM 0 H LEU A 15 21.209 1.304 0.252 1.00 0.78 H new ATOM 0 HA LEU A 15 22.193 -0.397 2.321 1.00 0.81 H new ATOM 0 HB2 LEU A 15 22.419 -0.461 -0.704 1.00 0.69 H new ATOM 0 HB3 LEU A 15 22.733 -1.820 0.357 1.00 0.69 H new ATOM 0 HG LEU A 15 20.098 -0.337 0.413 1.00 0.44 H new ATOM 0 HD11 LEU A 15 19.385 -2.206 -1.117 1.00 0.45 H new ATOM 0 HD12 LEU A 15 20.692 -1.259 -1.866 1.00 0.45 H new ATOM 0 HD13 LEU A 15 21.053 -2.827 -1.106 1.00 0.45 H new ATOM 0 HD21 LEU A 15 19.277 -2.443 1.300 1.00 0.36 H new ATOM 0 HD22 LEU A 15 20.907 -3.146 1.172 1.00 0.36 H new ATOM 0 HD23 LEU A 15 20.602 -1.807 2.303 1.00 0.36 H new ATOM 234 N LYS A 16 24.486 0.662 2.557 1.00 1.04 N ATOM 235 CA LYS A 16 25.935 0.970 2.774 1.00 1.24 C ATOM 236 C LYS A 16 26.939 0.356 1.783 1.00 1.29 C ATOM 237 O LYS A 16 27.947 0.958 1.470 1.00 1.46 O ATOM 238 CB LYS A 16 26.231 0.548 4.255 1.00 1.29 C ATOM 239 CG LYS A 16 27.750 0.459 4.529 1.00 2.90 C ATOM 240 CD LYS A 16 27.965 0.311 6.066 1.00 2.92 C ATOM 241 CE LYS A 16 29.367 -0.214 6.379 1.00 4.41 C ATOM 242 NZ LYS A 16 30.366 0.727 5.781 1.00 5.81 N ATOM 0 H LYS A 16 23.923 0.736 3.404 1.00 1.04 H new ATOM 0 HA LYS A 16 26.089 2.032 2.585 1.00 1.24 H new ATOM 0 HB2 LYS A 16 25.779 1.269 4.936 1.00 1.29 H new ATOM 0 HB3 LYS A 16 25.767 -0.417 4.459 1.00 1.29 H new ATOM 0 HG2 LYS A 16 28.181 -0.392 4.002 1.00 2.90 H new ATOM 0 HG3 LYS A 16 28.255 1.352 4.160 1.00 2.90 H new ATOM 0 HD2 LYS A 16 27.818 1.276 6.551 1.00 2.92 H new ATOM 0 HD3 LYS A 16 27.219 -0.369 6.477 1.00 2.92 H new ATOM 0 HE2 LYS A 16 29.513 -0.288 7.457 1.00 4.41 H new ATOM 0 HE3 LYS A 16 29.497 -1.216 5.970 1.00 4.41 H new ATOM 0 HZ1 LYS A 16 31.302 0.552 6.199 1.00 5.81 H new ATOM 0 HZ2 LYS A 16 30.412 0.577 4.753 1.00 5.81 H new ATOM 0 HZ3 LYS A 16 30.079 1.708 5.975 1.00 5.81 H new ATOM 256 N THR A 17 26.609 -0.811 1.329 1.00 1.15 N ATOM 257 CA THR A 17 27.469 -1.566 0.371 1.00 1.20 C ATOM 258 C THR A 17 26.970 -2.071 -0.996 1.00 1.12 C ATOM 259 O THR A 17 26.165 -2.974 -0.980 1.00 0.91 O ATOM 260 CB THR A 17 28.037 -2.778 1.168 1.00 1.21 C ATOM 261 OG1 THR A 17 29.216 -2.317 1.805 1.00 1.49 O ATOM 262 CG2 THR A 17 28.482 -3.932 0.303 1.00 1.25 C ATOM 0 H THR A 17 25.749 -1.295 1.588 1.00 1.15 H new ATOM 0 HA THR A 17 28.158 -0.794 0.029 1.00 1.20 H new ATOM 0 HB THR A 17 27.245 -3.130 1.828 1.00 1.21 H new ATOM 0 HG1 THR A 17 29.614 -3.047 2.325 1.00 1.49 H new ATOM 0 HG21 THR A 17 28.864 -4.734 0.935 1.00 1.25 H new ATOM 0 HG22 THR A 17 27.636 -4.299 -0.277 1.00 1.25 H new ATOM 0 HG23 THR A 17 29.268 -3.597 -0.374 1.00 1.25 H new ATOM 270 N LYS A 18 27.386 -1.502 -2.112 1.00 1.29 N ATOM 271 CA LYS A 18 26.973 -1.982 -3.494 1.00 1.29 C ATOM 272 C LYS A 18 26.688 -3.502 -3.426 1.00 1.10 C ATOM 273 O LYS A 18 27.616 -4.290 -3.429 1.00 1.10 O ATOM 274 CB LYS A 18 28.161 -1.666 -4.548 1.00 1.64 C ATOM 275 CG LYS A 18 28.708 -2.879 -5.430 1.00 2.40 C ATOM 276 CD LYS A 18 29.800 -2.392 -6.467 1.00 2.51 C ATOM 277 CE LYS A 18 30.802 -3.535 -6.866 1.00 3.33 C ATOM 278 NZ LYS A 18 30.471 -4.156 -8.193 1.00 4.49 N ATOM 0 H LYS A 18 28.015 -0.699 -2.128 1.00 1.29 H new ATOM 0 HA LYS A 18 26.072 -1.465 -3.825 1.00 1.29 H new ATOM 0 HB2 LYS A 18 27.810 -0.889 -5.227 1.00 1.64 H new ATOM 0 HB3 LYS A 18 29.001 -1.249 -3.992 1.00 1.64 H new ATOM 0 HG2 LYS A 18 29.137 -3.640 -4.778 1.00 2.40 H new ATOM 0 HG3 LYS A 18 27.880 -3.346 -5.963 1.00 2.40 H new ATOM 0 HD2 LYS A 18 29.305 -2.018 -7.363 1.00 2.51 H new ATOM 0 HD3 LYS A 18 30.357 -1.558 -6.039 1.00 2.51 H new ATOM 0 HE2 LYS A 18 31.814 -3.131 -6.900 1.00 3.33 H new ATOM 0 HE3 LYS A 18 30.793 -4.306 -6.096 1.00 3.33 H new ATOM 0 HZ1 LYS A 18 30.057 -5.098 -8.042 1.00 4.49 H new ATOM 0 HZ2 LYS A 18 29.788 -3.555 -8.697 1.00 4.49 H new ATOM 0 HZ3 LYS A 18 31.338 -4.246 -8.760 1.00 4.49 H new ATOM 292 N PRO A 19 25.444 -3.886 -3.313 1.00 0.96 N ATOM 293 CA PRO A 19 25.095 -5.335 -3.257 1.00 0.84 C ATOM 294 C PRO A 19 25.714 -6.139 -4.423 1.00 0.94 C ATOM 295 O PRO A 19 26.369 -5.552 -5.266 1.00 0.99 O ATOM 296 CB PRO A 19 23.595 -5.271 -3.236 1.00 0.72 C ATOM 297 CG PRO A 19 23.338 -3.935 -2.448 1.00 0.70 C ATOM 298 CD PRO A 19 24.268 -2.985 -3.175 1.00 0.89 C ATOM 0 HA PRO A 19 25.496 -5.878 -2.401 1.00 0.84 H new ATOM 0 HB2 PRO A 19 23.173 -5.240 -4.241 1.00 0.72 H new ATOM 0 HB3 PRO A 19 23.156 -6.133 -2.733 1.00 0.72 H new ATOM 0 HG2 PRO A 19 22.297 -3.617 -2.505 1.00 0.70 H new ATOM 0 HG3 PRO A 19 23.586 -4.026 -1.391 1.00 0.70 H new ATOM 0 HD2 PRO A 19 23.871 -2.658 -4.136 1.00 0.89 H new ATOM 0 HD3 PRO A 19 24.489 -2.087 -2.599 1.00 0.89 H new ATOM 306 N ALA A 20 25.538 -7.439 -4.502 1.00 0.97 N ATOM 307 CA ALA A 20 26.189 -8.104 -5.688 1.00 0.97 C ATOM 308 C ALA A 20 25.595 -7.369 -6.924 1.00 0.82 C ATOM 309 O ALA A 20 24.385 -7.202 -6.995 1.00 0.69 O ATOM 310 CB ALA A 20 25.834 -9.604 -5.676 1.00 1.04 C ATOM 0 H ALA A 20 25.017 -8.032 -3.857 1.00 0.97 H new ATOM 0 HA ALA A 20 27.277 -8.042 -5.688 1.00 0.97 H new ATOM 0 HB1 ALA A 20 26.300 -10.095 -6.530 1.00 1.04 H new ATOM 0 HB2 ALA A 20 26.198 -10.057 -4.754 1.00 1.04 H new ATOM 0 HB3 ALA A 20 24.752 -9.722 -5.735 1.00 1.04 H new ATOM 316 N ASP A 21 26.426 -6.933 -7.849 1.00 0.83 N ATOM 317 CA ASP A 21 25.878 -6.212 -9.045 1.00 0.70 C ATOM 318 C ASP A 21 24.622 -6.915 -9.524 1.00 0.62 C ATOM 319 O ASP A 21 23.684 -6.238 -9.853 1.00 0.52 O ATOM 320 CB ASP A 21 26.935 -6.157 -10.182 1.00 0.94 C ATOM 321 CG ASP A 21 28.197 -5.497 -9.637 1.00 1.10 C ATOM 322 OD1 ASP A 21 28.925 -6.191 -8.945 1.00 1.69 O ATOM 323 OD2 ASP A 21 28.412 -4.326 -9.900 1.00 1.17 O ATOM 0 H ASP A 21 27.440 -7.043 -7.828 1.00 0.83 H new ATOM 0 HA ASP A 21 25.633 -5.188 -8.763 1.00 0.70 H new ATOM 0 HB2 ASP A 21 27.158 -7.162 -10.541 1.00 0.94 H new ATOM 0 HB3 ASP A 21 26.549 -5.593 -11.031 1.00 0.94 H new ATOM 328 N GLU A 22 24.590 -8.220 -9.564 1.00 0.71 N ATOM 329 CA GLU A 22 23.355 -8.925 -10.018 1.00 0.69 C ATOM 330 C GLU A 22 22.111 -8.520 -9.148 1.00 0.57 C ATOM 331 O GLU A 22 21.023 -8.335 -9.665 1.00 0.55 O ATOM 332 CB GLU A 22 23.643 -10.470 -9.963 1.00 0.83 C ATOM 333 CG GLU A 22 24.747 -10.866 -11.023 1.00 1.03 C ATOM 334 CD GLU A 22 24.926 -12.400 -11.167 1.00 1.51 C ATOM 335 OE1 GLU A 22 25.377 -13.015 -10.213 1.00 1.21 O ATOM 336 OE2 GLU A 22 24.597 -12.875 -12.242 1.00 2.72 O ATOM 0 H GLU A 22 25.365 -8.829 -9.302 1.00 0.71 H new ATOM 0 HA GLU A 22 23.105 -8.636 -11.039 1.00 0.69 H new ATOM 0 HB2 GLU A 22 23.974 -10.749 -8.963 1.00 0.83 H new ATOM 0 HB3 GLU A 22 22.725 -11.024 -10.161 1.00 0.83 H new ATOM 0 HG2 GLU A 22 24.480 -10.444 -11.992 1.00 1.03 H new ATOM 0 HG3 GLU A 22 25.698 -10.420 -10.732 1.00 1.03 H new ATOM 343 N GLU A 23 22.264 -8.370 -7.857 1.00 0.54 N ATOM 344 CA GLU A 23 21.077 -7.977 -7.008 1.00 0.47 C ATOM 345 C GLU A 23 20.776 -6.514 -7.365 1.00 0.40 C ATOM 346 O GLU A 23 19.624 -6.136 -7.492 1.00 0.40 O ATOM 347 CB GLU A 23 21.376 -8.052 -5.477 1.00 0.45 C ATOM 348 CG GLU A 23 21.892 -9.441 -5.140 1.00 0.28 C ATOM 349 CD GLU A 23 22.062 -9.510 -3.629 1.00 0.20 C ATOM 350 OE1 GLU A 23 23.120 -9.141 -3.151 1.00 1.45 O ATOM 351 OE2 GLU A 23 21.075 -9.924 -3.052 1.00 1.07 O ATOM 0 H GLU A 23 23.141 -8.498 -7.352 1.00 0.54 H new ATOM 0 HA GLU A 23 20.250 -8.659 -7.205 1.00 0.47 H new ATOM 0 HB2 GLU A 23 22.114 -7.299 -5.200 1.00 0.45 H new ATOM 0 HB3 GLU A 23 20.473 -7.837 -4.906 1.00 0.45 H new ATOM 0 HG2 GLU A 23 21.193 -10.204 -5.483 1.00 0.28 H new ATOM 0 HG3 GLU A 23 22.841 -9.630 -5.642 1.00 0.28 H new ATOM 358 N MET A 24 21.860 -5.779 -7.504 1.00 0.36 N ATOM 359 CA MET A 24 21.801 -4.329 -7.860 1.00 0.25 C ATOM 360 C MET A 24 21.027 -4.247 -9.188 1.00 0.18 C ATOM 361 O MET A 24 20.182 -3.410 -9.358 1.00 0.25 O ATOM 362 CB MET A 24 23.243 -3.798 -8.002 1.00 0.35 C ATOM 363 CG MET A 24 24.012 -3.798 -6.681 1.00 0.49 C ATOM 364 SD MET A 24 25.396 -2.625 -6.659 1.00 0.78 S ATOM 365 CE MET A 24 24.381 -1.127 -6.699 1.00 0.39 C ATOM 0 H MET A 24 22.806 -6.139 -7.381 1.00 0.36 H new ATOM 0 HA MET A 24 21.303 -3.723 -7.103 1.00 0.25 H new ATOM 0 HB2 MET A 24 23.779 -4.409 -8.728 1.00 0.35 H new ATOM 0 HB3 MET A 24 23.213 -2.783 -8.399 1.00 0.35 H new ATOM 0 HG2 MET A 24 23.326 -3.556 -5.869 1.00 0.49 H new ATOM 0 HG3 MET A 24 24.392 -4.802 -6.489 1.00 0.49 H new ATOM 0 HE1 MET A 24 24.739 -0.425 -5.946 1.00 0.39 H new ATOM 0 HE2 MET A 24 24.450 -0.667 -7.685 1.00 0.39 H new ATOM 0 HE3 MET A 24 23.343 -1.385 -6.491 1.00 0.39 H new ATOM 375 N LEU A 25 21.361 -5.118 -10.093 1.00 0.39 N ATOM 376 CA LEU A 25 20.772 -5.287 -11.446 1.00 0.40 C ATOM 377 C LEU A 25 19.260 -5.496 -11.253 1.00 0.39 C ATOM 378 O LEU A 25 18.445 -4.751 -11.761 1.00 0.44 O ATOM 379 CB LEU A 25 21.503 -6.503 -12.042 1.00 0.45 C ATOM 380 CG LEU A 25 22.773 -6.099 -12.788 1.00 0.30 C ATOM 381 CD1 LEU A 25 23.825 -7.177 -12.887 1.00 0.35 C ATOM 382 CD2 LEU A 25 22.361 -5.812 -14.200 1.00 0.25 C ATOM 0 H LEU A 25 22.106 -5.793 -9.921 1.00 0.39 H new ATOM 0 HA LEU A 25 20.888 -4.440 -12.123 1.00 0.40 H new ATOM 0 HB2 LEU A 25 21.758 -7.200 -11.243 1.00 0.45 H new ATOM 0 HB3 LEU A 25 20.835 -7.030 -12.723 1.00 0.45 H new ATOM 0 HG LEU A 25 23.207 -5.264 -12.237 1.00 0.30 H new ATOM 0 HD11 LEU A 25 24.687 -6.795 -13.433 1.00 0.35 H new ATOM 0 HD12 LEU A 25 24.134 -7.477 -11.886 1.00 0.35 H new ATOM 0 HD13 LEU A 25 23.415 -8.039 -13.414 1.00 0.35 H new ATOM 0 HD21 LEU A 25 23.235 -5.517 -14.781 1.00 0.25 H new ATOM 0 HD22 LEU A 25 21.918 -6.706 -14.639 1.00 0.25 H new ATOM 0 HD23 LEU A 25 21.630 -5.004 -14.209 1.00 0.25 H new ATOM 394 N PHE A 26 18.916 -6.523 -10.518 1.00 0.36 N ATOM 395 CA PHE A 26 17.466 -6.795 -10.266 1.00 0.37 C ATOM 396 C PHE A 26 16.784 -5.518 -9.756 1.00 0.34 C ATOM 397 O PHE A 26 15.845 -5.020 -10.340 1.00 0.35 O ATOM 398 CB PHE A 26 17.313 -7.876 -9.205 1.00 0.34 C ATOM 399 CG PHE A 26 15.808 -8.128 -9.065 1.00 0.33 C ATOM 400 CD1 PHE A 26 14.989 -7.286 -8.311 1.00 1.39 C ATOM 401 CD2 PHE A 26 15.257 -9.206 -9.726 1.00 1.33 C ATOM 402 CE1 PHE A 26 13.641 -7.547 -8.240 1.00 1.38 C ATOM 403 CE2 PHE A 26 13.909 -9.455 -9.649 1.00 1.32 C ATOM 404 CZ PHE A 26 13.112 -8.622 -8.905 1.00 0.32 C ATOM 0 H PHE A 26 19.567 -7.179 -10.085 1.00 0.36 H new ATOM 0 HA PHE A 26 17.007 -7.124 -11.198 1.00 0.37 H new ATOM 0 HB2 PHE A 26 17.834 -8.787 -9.499 1.00 0.34 H new ATOM 0 HB3 PHE A 26 17.744 -7.554 -8.257 1.00 0.34 H new ATOM 0 HD1 PHE A 26 15.409 -6.439 -7.789 1.00 1.39 H new ATOM 0 HD2 PHE A 26 15.890 -9.859 -10.308 1.00 1.33 H new ATOM 0 HE1 PHE A 26 12.998 -6.903 -7.659 1.00 1.38 H new ATOM 0 HE2 PHE A 26 13.480 -10.299 -10.169 1.00 1.32 H new ATOM 0 HZ PHE A 26 12.052 -8.817 -8.843 1.00 0.32 H new ATOM 414 N ILE A 27 17.312 -5.046 -8.660 1.00 0.29 N ATOM 415 CA ILE A 27 16.796 -3.819 -7.999 1.00 0.24 C ATOM 416 C ILE A 27 16.729 -2.706 -9.042 1.00 0.19 C ATOM 417 O ILE A 27 15.658 -2.268 -9.386 1.00 0.12 O ATOM 418 CB ILE A 27 17.755 -3.553 -6.868 1.00 0.22 C ATOM 419 CG1 ILE A 27 17.666 -4.768 -5.857 1.00 0.20 C ATOM 420 CG2 ILE A 27 17.287 -2.255 -6.224 1.00 0.24 C ATOM 421 CD1 ILE A 27 16.713 -4.507 -4.695 1.00 0.24 C ATOM 0 H ILE A 27 18.104 -5.476 -8.183 1.00 0.29 H new ATOM 0 HA ILE A 27 15.788 -3.905 -7.594 1.00 0.24 H new ATOM 0 HB ILE A 27 18.792 -3.458 -7.190 1.00 0.22 H new ATOM 0 HG12 ILE A 27 17.339 -5.658 -6.395 1.00 0.20 H new ATOM 0 HG13 ILE A 27 18.660 -4.980 -5.464 1.00 0.20 H new ATOM 0 HG21 ILE A 27 17.944 -2.004 -5.391 1.00 0.24 H new ATOM 0 HG22 ILE A 27 17.313 -1.453 -6.961 1.00 0.24 H new ATOM 0 HG23 ILE A 27 16.268 -2.378 -5.857 1.00 0.24 H new ATOM 0 HD11 ILE A 27 16.695 -5.376 -4.037 1.00 0.24 H new ATOM 0 HD12 ILE A 27 17.052 -3.635 -4.136 1.00 0.24 H new ATOM 0 HD13 ILE A 27 15.710 -4.323 -5.081 1.00 0.24 H new ATOM 433 N TYR A 28 17.849 -2.246 -9.518 1.00 0.27 N ATOM 434 CA TYR A 28 17.873 -1.181 -10.556 1.00 0.28 C ATOM 435 C TYR A 28 16.821 -1.440 -11.656 1.00 0.23 C ATOM 436 O TYR A 28 15.927 -0.644 -11.831 1.00 0.21 O ATOM 437 CB TYR A 28 19.252 -1.156 -11.179 1.00 0.43 C ATOM 438 CG TYR A 28 19.189 -0.227 -12.385 1.00 0.39 C ATOM 439 CD1 TYR A 28 18.805 -0.726 -13.623 1.00 0.76 C ATOM 440 CD2 TYR A 28 19.510 1.107 -12.260 1.00 0.51 C ATOM 441 CE1 TYR A 28 18.752 0.110 -14.711 1.00 0.91 C ATOM 442 CE2 TYR A 28 19.450 1.930 -13.360 1.00 0.37 C ATOM 443 CZ TYR A 28 19.070 1.422 -14.593 1.00 0.57 C ATOM 444 OH TYR A 28 18.996 2.158 -15.749 1.00 0.82 O ATOM 0 H TYR A 28 18.770 -2.571 -9.224 1.00 0.27 H new ATOM 0 HA TYR A 28 17.638 -0.226 -10.087 1.00 0.28 H new ATOM 0 HB2 TYR A 28 19.992 -0.803 -10.460 1.00 0.43 H new ATOM 0 HB3 TYR A 28 19.555 -2.158 -11.482 1.00 0.43 H new ATOM 0 HD1 TYR A 28 18.549 -1.770 -13.730 1.00 0.76 H new ATOM 0 HD2 TYR A 28 19.808 1.505 -11.301 1.00 0.51 H new ATOM 0 HE1 TYR A 28 18.453 -0.283 -15.672 1.00 0.91 H new ATOM 0 HE2 TYR A 28 19.700 2.976 -13.263 1.00 0.37 H new ATOM 0 HH TYR A 28 19.242 3.088 -15.561 1.00 0.82 H new ATOM 454 N SER A 29 16.944 -2.538 -12.355 1.00 0.22 N ATOM 455 CA SER A 29 15.944 -2.828 -13.449 1.00 0.22 C ATOM 456 C SER A 29 14.536 -2.661 -12.935 1.00 0.20 C ATOM 457 O SER A 29 13.826 -1.828 -13.445 1.00 0.29 O ATOM 458 CB SER A 29 16.147 -4.250 -13.982 1.00 0.17 C ATOM 459 OG SER A 29 15.902 -5.063 -12.844 1.00 0.33 O ATOM 0 H SER A 29 17.674 -3.239 -12.227 1.00 0.22 H new ATOM 0 HA SER A 29 16.101 -2.119 -14.262 1.00 0.22 H new ATOM 0 HB2 SER A 29 15.457 -4.477 -14.795 1.00 0.17 H new ATOM 0 HB3 SER A 29 17.155 -4.394 -14.370 1.00 0.17 H new ATOM 0 HG SER A 29 16.660 -4.997 -12.226 1.00 0.33 H new ATOM 465 N HIS A 30 14.164 -3.419 -11.952 1.00 0.10 N ATOM 466 CA HIS A 30 12.815 -3.334 -11.373 1.00 0.09 C ATOM 467 C HIS A 30 12.439 -1.901 -10.933 1.00 0.04 C ATOM 468 O HIS A 30 11.369 -1.414 -11.225 1.00 0.13 O ATOM 469 CB HIS A 30 12.841 -4.334 -10.260 1.00 0.08 C ATOM 470 CG HIS A 30 12.764 -5.693 -10.934 1.00 0.17 C ATOM 471 ND1 HIS A 30 13.690 -6.223 -11.664 1.00 1.42 N ATOM 472 CD2 HIS A 30 11.737 -6.616 -10.937 1.00 1.04 C ATOM 473 CE1 HIS A 30 13.282 -7.381 -12.090 1.00 1.11 C ATOM 474 NE2 HIS A 30 12.075 -7.662 -11.660 1.00 0.45 N ATOM 0 H HIS A 30 14.765 -4.117 -11.514 1.00 0.10 H new ATOM 0 HA HIS A 30 12.030 -3.562 -12.094 1.00 0.09 H new ATOM 0 HB2 HIS A 30 13.752 -4.240 -9.669 1.00 0.08 H new ATOM 0 HB3 HIS A 30 12.003 -4.185 -9.579 1.00 0.08 H new ATOM 0 HD1 HIS A 30 14.595 -5.800 -11.872 1.00 1.42 H new ATOM 0 HD2 HIS A 30 10.795 -6.497 -10.422 1.00 1.04 H new ATOM 0 HE1 HIS A 30 13.866 -8.033 -12.722 1.00 1.11 H new ATOM 482 N TYR A 31 13.315 -1.257 -10.228 1.00 0.02 N ATOM 483 CA TYR A 31 13.094 0.133 -9.747 1.00 0.04 C ATOM 484 C TYR A 31 12.794 1.058 -10.959 1.00 0.03 C ATOM 485 O TYR A 31 11.782 1.724 -11.092 1.00 0.12 O ATOM 486 CB TYR A 31 14.372 0.576 -9.048 1.00 0.11 C ATOM 487 CG TYR A 31 14.237 2.030 -8.681 1.00 0.11 C ATOM 488 CD1 TYR A 31 13.252 2.484 -7.827 1.00 1.41 C ATOM 489 CD2 TYR A 31 15.103 2.903 -9.276 1.00 1.21 C ATOM 490 CE1 TYR A 31 13.145 3.846 -7.600 1.00 1.43 C ATOM 491 CE2 TYR A 31 14.997 4.246 -9.041 1.00 1.21 C ATOM 492 CZ TYR A 31 14.018 4.723 -8.211 1.00 0.24 C ATOM 493 OH TYR A 31 13.919 6.083 -8.047 1.00 0.35 O ATOM 0 H TYR A 31 14.214 -1.652 -9.952 1.00 0.02 H new ATOM 0 HA TYR A 31 12.248 0.184 -9.061 1.00 0.04 H new ATOM 0 HB2 TYR A 31 14.543 -0.026 -8.155 1.00 0.11 H new ATOM 0 HB3 TYR A 31 15.232 0.429 -9.702 1.00 0.11 H new ATOM 0 HD1 TYR A 31 12.578 1.791 -7.345 1.00 1.41 H new ATOM 0 HD2 TYR A 31 15.874 2.531 -9.934 1.00 1.21 H new ATOM 0 HE1 TYR A 31 12.376 4.223 -6.943 1.00 1.43 H new ATOM 0 HE2 TYR A 31 15.687 4.932 -9.511 1.00 1.21 H new ATOM 0 HH TYR A 31 14.627 6.527 -8.559 1.00 0.35 H new ATOM 503 N LYS A 32 13.767 1.034 -11.817 1.00 0.13 N ATOM 504 CA LYS A 32 13.742 1.827 -13.061 1.00 0.21 C ATOM 505 C LYS A 32 12.474 1.517 -13.872 1.00 0.25 C ATOM 506 O LYS A 32 11.812 2.458 -14.248 1.00 0.30 O ATOM 507 CB LYS A 32 15.016 1.465 -13.760 1.00 0.30 C ATOM 508 CG LYS A 32 16.268 1.916 -12.906 1.00 0.34 C ATOM 509 CD LYS A 32 16.594 3.454 -12.831 1.00 0.39 C ATOM 510 CE LYS A 32 16.726 4.068 -14.217 1.00 0.38 C ATOM 511 NZ LYS A 32 17.646 5.255 -14.170 1.00 0.22 N ATOM 0 H LYS A 32 14.611 0.473 -11.698 1.00 0.13 H new ATOM 0 HA LYS A 32 13.695 2.903 -12.895 1.00 0.21 H new ATOM 0 HB2 LYS A 32 15.052 0.389 -13.927 1.00 0.30 H new ATOM 0 HB3 LYS A 32 15.047 1.941 -14.740 1.00 0.30 H new ATOM 0 HG2 LYS A 32 16.126 1.554 -11.888 1.00 0.34 H new ATOM 0 HG3 LYS A 32 17.146 1.407 -13.305 1.00 0.34 H new ATOM 0 HD2 LYS A 32 15.806 3.967 -12.279 1.00 0.39 H new ATOM 0 HD3 LYS A 32 17.521 3.603 -12.277 1.00 0.39 H new ATOM 0 HE2 LYS A 32 17.112 3.326 -14.917 1.00 0.38 H new ATOM 0 HE3 LYS A 32 15.746 4.372 -14.583 1.00 0.38 H new ATOM 0 HZ1 LYS A 32 17.730 5.667 -15.121 1.00 0.22 H new ATOM 0 HZ2 LYS A 32 17.261 5.967 -13.517 1.00 0.22 H new ATOM 0 HZ3 LYS A 32 18.585 4.954 -13.840 1.00 0.22 H new ATOM 525 N GLN A 33 12.145 0.273 -14.147 1.00 0.25 N ATOM 526 CA GLN A 33 10.908 -0.015 -14.928 1.00 0.37 C ATOM 527 C GLN A 33 9.742 0.590 -14.093 1.00 0.37 C ATOM 528 O GLN A 33 9.003 1.432 -14.553 1.00 0.51 O ATOM 529 CB GLN A 33 10.528 -1.490 -15.035 1.00 0.16 C ATOM 530 CG GLN A 33 11.328 -2.444 -14.219 1.00 2.27 C ATOM 531 CD GLN A 33 10.565 -3.759 -14.136 1.00 3.44 C ATOM 532 OE1 GLN A 33 10.354 -4.418 -13.142 1.00 4.65 O ATOM 533 NE2 GLN A 33 10.117 -4.196 -15.248 1.00 3.49 N ATOM 0 H GLN A 33 12.681 -0.547 -13.863 1.00 0.25 H new ATOM 0 HA GLN A 33 11.079 0.374 -15.932 1.00 0.37 H new ATOM 0 HB2 GLN A 33 9.481 -1.594 -14.751 1.00 0.16 H new ATOM 0 HB3 GLN A 33 10.606 -1.787 -16.081 1.00 0.16 H new ATOM 0 HG2 GLN A 33 12.308 -2.601 -14.671 1.00 2.27 H new ATOM 0 HG3 GLN A 33 11.498 -2.040 -13.221 1.00 2.27 H new ATOM 0 HE21 GLN A 33 10.276 -3.667 -16.105 1.00 3.49 H new ATOM 0 HE22 GLN A 33 9.600 -5.075 -15.280 1.00 3.49 H new ATOM 542 N ALA A 34 9.620 0.127 -12.870 1.00 0.33 N ATOM 543 CA ALA A 34 8.551 0.591 -11.934 1.00 0.34 C ATOM 544 C ALA A 34 8.251 2.085 -11.977 1.00 0.36 C ATOM 545 O ALA A 34 7.126 2.514 -12.137 1.00 0.49 O ATOM 546 CB ALA A 34 8.960 0.201 -10.528 1.00 0.29 C ATOM 0 H ALA A 34 10.241 -0.578 -12.472 1.00 0.33 H new ATOM 0 HA ALA A 34 7.628 0.108 -12.254 1.00 0.34 H new ATOM 0 HB1 ALA A 34 8.196 0.528 -9.823 1.00 0.29 H new ATOM 0 HB2 ALA A 34 9.069 -0.882 -10.468 1.00 0.29 H new ATOM 0 HB3 ALA A 34 9.909 0.676 -10.280 1.00 0.29 H new ATOM 552 N THR A 35 9.301 2.827 -11.829 1.00 0.26 N ATOM 553 CA THR A 35 9.184 4.323 -11.839 1.00 0.33 C ATOM 554 C THR A 35 9.076 4.856 -13.264 1.00 0.42 C ATOM 555 O THR A 35 8.190 5.639 -13.540 1.00 0.45 O ATOM 556 CB THR A 35 10.431 4.927 -11.124 1.00 0.31 C ATOM 557 OG1 THR A 35 11.523 4.398 -11.844 1.00 0.28 O ATOM 558 CG2 THR A 35 10.626 4.338 -9.757 1.00 0.26 C ATOM 0 H THR A 35 10.248 2.470 -11.700 1.00 0.26 H new ATOM 0 HA THR A 35 8.276 4.616 -11.311 1.00 0.33 H new ATOM 0 HB THR A 35 10.333 6.011 -11.069 1.00 0.31 H new ATOM 0 HG1 THR A 35 11.738 3.505 -11.503 1.00 0.28 H new ATOM 0 HG21 THR A 35 11.505 4.784 -9.291 1.00 0.26 H new ATOM 0 HG22 THR A 35 9.748 4.541 -9.145 1.00 0.26 H new ATOM 0 HG23 THR A 35 10.768 3.261 -9.842 1.00 0.26 H new ATOM 566 N VAL A 36 9.948 4.414 -14.126 1.00 0.46 N ATOM 567 CA VAL A 36 9.957 4.863 -15.561 1.00 0.55 C ATOM 568 C VAL A 36 9.010 4.090 -16.506 1.00 0.59 C ATOM 569 O VAL A 36 8.063 4.629 -17.045 1.00 0.68 O ATOM 570 CB VAL A 36 11.423 4.737 -16.140 1.00 0.45 C ATOM 571 CG1 VAL A 36 11.499 5.475 -17.498 1.00 0.49 C ATOM 572 CG2 VAL A 36 12.508 5.234 -15.194 1.00 0.42 C ATOM 0 H VAL A 36 10.679 3.741 -13.896 1.00 0.46 H new ATOM 0 HA VAL A 36 9.596 5.891 -15.534 1.00 0.55 H new ATOM 0 HB VAL A 36 11.622 3.674 -16.272 1.00 0.45 H new ATOM 0 HG11 VAL A 36 12.508 5.391 -17.902 1.00 0.49 H new ATOM 0 HG12 VAL A 36 10.791 5.028 -18.195 1.00 0.49 H new ATOM 0 HG13 VAL A 36 11.252 6.527 -17.355 1.00 0.49 H new ATOM 0 HG21 VAL A 36 13.484 5.114 -15.664 1.00 0.42 H new ATOM 0 HG22 VAL A 36 12.341 6.287 -14.970 1.00 0.42 H new ATOM 0 HG23 VAL A 36 12.477 4.657 -14.270 1.00 0.42 H new ATOM 582 N GLY A 37 9.340 2.841 -16.643 1.00 0.54 N ATOM 583 CA GLY A 37 8.648 1.802 -17.502 1.00 0.59 C ATOM 584 C GLY A 37 9.691 1.470 -18.578 1.00 0.48 C ATOM 585 O GLY A 37 10.645 0.756 -18.298 1.00 0.34 O ATOM 0 H GLY A 37 10.141 2.450 -16.148 1.00 0.54 H new ATOM 0 HA2 GLY A 37 8.375 0.920 -16.923 1.00 0.59 H new ATOM 0 HA3 GLY A 37 7.730 2.192 -17.941 1.00 0.59 H new ATOM 589 N ASP A 38 9.486 2.015 -19.755 1.00 0.58 N ATOM 590 CA ASP A 38 10.445 1.775 -20.880 1.00 0.48 C ATOM 591 C ASP A 38 11.759 2.490 -20.516 1.00 0.39 C ATOM 592 O ASP A 38 11.811 3.205 -19.534 1.00 0.87 O ATOM 593 CB ASP A 38 9.880 2.367 -22.215 1.00 0.40 C ATOM 594 CG ASP A 38 9.124 1.365 -23.068 1.00 1.01 C ATOM 595 OD1 ASP A 38 8.671 0.365 -22.554 1.00 1.12 O ATOM 596 OD2 ASP A 38 9.053 1.662 -24.251 1.00 2.07 O ATOM 0 H ASP A 38 8.695 2.616 -19.984 1.00 0.58 H new ATOM 0 HA ASP A 38 10.602 0.706 -21.024 1.00 0.48 H new ATOM 0 HB2 ASP A 38 9.217 3.199 -21.979 1.00 0.40 H new ATOM 0 HB3 ASP A 38 10.707 2.773 -22.798 1.00 0.40 H new ATOM 601 N ILE A 39 12.780 2.314 -21.306 1.00 0.23 N ATOM 602 CA ILE A 39 14.093 2.972 -21.006 1.00 0.21 C ATOM 603 C ILE A 39 14.464 4.060 -22.051 1.00 0.44 C ATOM 604 O ILE A 39 14.422 3.852 -23.247 1.00 0.56 O ATOM 605 CB ILE A 39 15.099 1.788 -20.918 1.00 0.20 C ATOM 606 CG1 ILE A 39 16.522 2.244 -20.610 1.00 0.33 C ATOM 607 CG2 ILE A 39 15.076 1.003 -22.220 1.00 0.32 C ATOM 608 CD1 ILE A 39 17.364 0.998 -20.243 1.00 0.24 C ATOM 0 H ILE A 39 12.767 1.742 -22.150 1.00 0.23 H new ATOM 0 HA ILE A 39 14.082 3.541 -20.076 1.00 0.21 H new ATOM 0 HB ILE A 39 14.783 1.154 -20.089 1.00 0.20 H new ATOM 0 HG12 ILE A 39 16.953 2.752 -21.473 1.00 0.33 H new ATOM 0 HG13 ILE A 39 16.522 2.958 -19.786 1.00 0.33 H new ATOM 0 HG21 ILE A 39 15.781 0.174 -22.158 1.00 0.32 H new ATOM 0 HG22 ILE A 39 14.073 0.614 -22.393 1.00 0.32 H new ATOM 0 HG23 ILE A 39 15.358 1.658 -23.045 1.00 0.32 H new ATOM 0 HD11 ILE A 39 18.386 1.303 -20.019 1.00 0.24 H new ATOM 0 HD12 ILE A 39 16.931 0.511 -19.369 1.00 0.24 H new ATOM 0 HD13 ILE A 39 17.368 0.302 -21.082 1.00 0.24 H new ATOM 620 N ASN A 40 14.810 5.210 -21.537 1.00 0.54 N ATOM 621 CA ASN A 40 15.208 6.414 -22.356 1.00 0.74 C ATOM 622 C ASN A 40 16.501 7.047 -21.765 1.00 0.95 C ATOM 623 O ASN A 40 16.755 8.234 -21.818 1.00 1.04 O ATOM 624 CB ASN A 40 13.988 7.368 -22.307 1.00 0.66 C ATOM 625 CG ASN A 40 13.471 7.415 -20.868 1.00 0.65 C ATOM 626 OD1 ASN A 40 14.161 7.757 -19.937 1.00 1.00 O ATOM 627 ND2 ASN A 40 12.257 7.072 -20.592 1.00 0.61 N ATOM 0 H ASN A 40 14.836 5.379 -20.532 1.00 0.54 H new ATOM 0 HA ASN A 40 15.447 6.170 -23.391 1.00 0.74 H new ATOM 0 HB2 ASN A 40 14.273 8.366 -22.641 1.00 0.66 H new ATOM 0 HB3 ASN A 40 13.205 7.018 -22.980 1.00 0.66 H new ATOM 0 HD21 ASN A 40 11.926 7.099 -19.627 1.00 0.61 H new ATOM 0 HD22 ASN A 40 11.629 6.774 -21.339 1.00 0.61 H new ATOM 634 N THR A 41 17.285 6.165 -21.224 1.00 1.01 N ATOM 635 CA THR A 41 18.594 6.511 -20.564 1.00 1.23 C ATOM 636 C THR A 41 19.780 5.963 -21.366 1.00 1.32 C ATOM 637 O THR A 41 19.557 5.327 -22.379 1.00 1.26 O ATOM 638 CB THR A 41 18.560 5.898 -19.175 1.00 1.11 C ATOM 639 OG1 THR A 41 18.485 4.532 -19.536 1.00 0.79 O ATOM 640 CG2 THR A 41 17.187 6.056 -18.501 1.00 1.01 C ATOM 0 H THR A 41 17.071 5.168 -21.206 1.00 1.01 H new ATOM 0 HA THR A 41 18.723 7.592 -20.513 1.00 1.23 H new ATOM 0 HB THR A 41 19.356 6.294 -18.544 1.00 1.11 H new ATOM 0 HG1 THR A 41 19.356 4.107 -19.390 1.00 0.79 H new ATOM 0 HG21 THR A 41 17.213 5.602 -17.510 1.00 1.01 H new ATOM 0 HG22 THR A 41 16.947 7.115 -18.408 1.00 1.01 H new ATOM 0 HG23 THR A 41 16.426 5.563 -19.106 1.00 1.01 H new ATOM 798 N GLY A 51 26.867 1.279 -15.211 1.00 0.86 N ATOM 799 CA GLY A 51 25.957 2.143 -16.024 1.00 1.01 C ATOM 800 C GLY A 51 25.165 1.184 -16.922 1.00 0.94 C ATOM 801 O GLY A 51 23.964 1.303 -17.078 1.00 0.87 O ATOM 0 HA2 GLY A 51 25.290 2.720 -15.384 1.00 1.01 H new ATOM 0 HA3 GLY A 51 26.525 2.858 -16.620 1.00 1.01 H new ATOM 805 N LYS A 52 25.880 0.249 -17.477 1.00 0.98 N ATOM 806 CA LYS A 52 25.230 -0.746 -18.358 1.00 0.90 C ATOM 807 C LYS A 52 24.502 -1.838 -17.589 1.00 0.73 C ATOM 808 O LYS A 52 23.314 -1.854 -17.803 1.00 0.64 O ATOM 809 CB LYS A 52 26.303 -1.315 -19.247 1.00 1.06 C ATOM 810 CG LYS A 52 26.475 -0.244 -20.330 1.00 1.51 C ATOM 811 CD LYS A 52 27.890 0.298 -20.365 1.00 2.00 C ATOM 812 CE LYS A 52 28.758 -0.658 -21.157 1.00 1.57 C ATOM 813 NZ LYS A 52 29.760 0.185 -21.871 1.00 2.38 N ATOM 0 H LYS A 52 26.886 0.134 -17.356 1.00 0.98 H new ATOM 0 HA LYS A 52 24.453 -0.258 -18.947 1.00 0.90 H new ATOM 0 HB2 LYS A 52 27.230 -1.485 -18.699 1.00 1.06 H new ATOM 0 HB3 LYS A 52 26.005 -2.273 -19.673 1.00 1.06 H new ATOM 0 HG2 LYS A 52 26.223 -0.667 -21.303 1.00 1.51 H new ATOM 0 HG3 LYS A 52 25.777 0.573 -20.147 1.00 1.51 H new ATOM 0 HD2 LYS A 52 27.904 1.288 -20.822 1.00 2.00 H new ATOM 0 HD3 LYS A 52 28.277 0.409 -19.352 1.00 2.00 H new ATOM 0 HE2 LYS A 52 29.250 -1.374 -20.498 1.00 1.57 H new ATOM 0 HE3 LYS A 52 28.159 -1.234 -21.863 1.00 1.57 H new ATOM 0 HZ1 LYS A 52 30.387 -0.424 -22.435 1.00 2.38 H new ATOM 0 HZ2 LYS A 52 29.268 0.852 -22.499 1.00 2.38 H new ATOM 0 HZ3 LYS A 52 30.325 0.716 -21.177 1.00 2.38 H new ATOM 827 N ALA A 53 25.129 -2.670 -16.772 1.00 0.69 N ATOM 828 CA ALA A 53 24.417 -3.754 -16.000 1.00 0.53 C ATOM 829 C ALA A 53 22.941 -3.436 -15.910 1.00 0.31 C ATOM 830 O ALA A 53 22.096 -4.076 -16.488 1.00 0.36 O ATOM 831 CB ALA A 53 25.126 -3.836 -14.587 1.00 0.57 C ATOM 0 H ALA A 53 26.135 -2.639 -16.605 1.00 0.69 H new ATOM 0 HA ALA A 53 24.479 -4.726 -16.489 1.00 0.53 H new ATOM 0 HB1 ALA A 53 24.648 -4.608 -13.984 1.00 0.57 H new ATOM 0 HB2 ALA A 53 26.179 -4.081 -14.722 1.00 0.57 H new ATOM 0 HB3 ALA A 53 25.039 -2.875 -14.080 1.00 0.57 H new ATOM 837 N LYS A 54 22.736 -2.413 -15.163 1.00 0.35 N ATOM 838 CA LYS A 54 21.402 -1.851 -14.900 1.00 0.34 C ATOM 839 C LYS A 54 20.598 -1.580 -16.204 1.00 0.27 C ATOM 840 O LYS A 54 19.559 -2.164 -16.443 1.00 0.26 O ATOM 841 CB LYS A 54 21.758 -0.640 -14.116 1.00 0.55 C ATOM 842 CG LYS A 54 22.680 0.218 -14.958 1.00 0.26 C ATOM 843 CD LYS A 54 23.509 0.988 -14.050 1.00 0.49 C ATOM 844 CE LYS A 54 22.762 2.222 -13.457 1.00 0.85 C ATOM 845 NZ LYS A 54 22.210 3.030 -14.604 1.00 1.37 N ATOM 0 H LYS A 54 23.489 -1.910 -14.693 1.00 0.35 H new ATOM 0 HA LYS A 54 20.717 -2.511 -14.368 1.00 0.34 H new ATOM 0 HB2 LYS A 54 20.860 -0.083 -13.849 1.00 0.55 H new ATOM 0 HB3 LYS A 54 22.248 -0.922 -13.184 1.00 0.55 H new ATOM 0 HG2 LYS A 54 23.297 -0.404 -15.606 1.00 0.26 H new ATOM 0 HG3 LYS A 54 22.104 0.879 -15.605 1.00 0.26 H new ATOM 0 HD2 LYS A 54 23.844 0.345 -13.236 1.00 0.49 H new ATOM 0 HD3 LYS A 54 24.401 1.327 -14.577 1.00 0.49 H new ATOM 0 HE2 LYS A 54 21.957 1.899 -12.797 1.00 0.85 H new ATOM 0 HE3 LYS A 54 23.442 2.827 -12.858 1.00 0.85 H new ATOM 0 HZ1 LYS A 54 22.282 4.043 -14.381 1.00 1.37 H new ATOM 0 HZ2 LYS A 54 22.754 2.826 -15.466 1.00 1.37 H new ATOM 0 HZ3 LYS A 54 21.212 2.779 -14.757 1.00 1.37 H new ATOM 859 N TRP A 55 21.117 -0.689 -17.022 1.00 0.45 N ATOM 860 CA TRP A 55 20.493 -0.282 -18.305 1.00 0.52 C ATOM 861 C TRP A 55 20.014 -1.527 -19.001 1.00 0.46 C ATOM 862 O TRP A 55 18.862 -1.672 -19.321 1.00 0.44 O ATOM 863 CB TRP A 55 21.560 0.443 -19.109 1.00 0.71 C ATOM 864 CG TRP A 55 20.895 1.374 -20.107 1.00 0.77 C ATOM 865 CD1 TRP A 55 20.404 2.584 -19.765 1.00 0.80 C ATOM 866 CD2 TRP A 55 20.714 1.174 -21.426 1.00 0.84 C ATOM 867 NE1 TRP A 55 19.957 3.046 -20.911 1.00 0.84 N ATOM 868 CE2 TRP A 55 20.099 2.278 -21.967 1.00 0.88 C ATOM 869 CE3 TRP A 55 21.035 0.106 -22.230 1.00 0.92 C ATOM 870 CZ2 TRP A 55 19.810 2.338 -23.299 1.00 0.99 C ATOM 871 CZ3 TRP A 55 20.746 0.154 -23.579 1.00 1.06 C ATOM 872 CH2 TRP A 55 20.134 1.278 -24.109 1.00 1.09 C ATOM 0 H TRP A 55 21.996 -0.209 -16.830 1.00 0.45 H new ATOM 0 HA TRP A 55 19.639 0.382 -18.170 1.00 0.52 H new ATOM 0 HB2 TRP A 55 22.210 1.011 -18.443 1.00 0.71 H new ATOM 0 HB3 TRP A 55 22.190 -0.277 -19.631 1.00 0.71 H new ATOM 0 HD1 TRP A 55 20.384 3.054 -18.793 1.00 0.80 H new ATOM 0 HE1 TRP A 55 19.517 3.964 -20.978 1.00 0.84 H new ATOM 0 HE3 TRP A 55 21.511 -0.767 -21.808 1.00 0.92 H new ATOM 0 HZ2 TRP A 55 19.330 3.213 -23.713 1.00 0.99 H new ATOM 0 HZ3 TRP A 55 20.996 -0.680 -24.218 1.00 1.06 H new ATOM 0 HH2 TRP A 55 19.911 1.321 -25.165 1.00 1.09 H new ATOM 883 N ASP A 56 20.973 -2.383 -19.171 1.00 0.54 N ATOM 884 CA ASP A 56 20.829 -3.702 -19.822 1.00 0.54 C ATOM 885 C ASP A 56 19.720 -4.533 -19.143 1.00 0.40 C ATOM 886 O ASP A 56 18.737 -4.875 -19.770 1.00 0.40 O ATOM 887 CB ASP A 56 22.300 -4.253 -19.746 1.00 0.61 C ATOM 888 CG ASP A 56 22.901 -4.130 -21.132 1.00 0.72 C ATOM 889 OD1 ASP A 56 22.778 -5.038 -21.928 1.00 0.53 O ATOM 890 OD2 ASP A 56 23.465 -3.077 -21.339 1.00 1.99 O ATOM 0 H ASP A 56 21.926 -2.200 -18.857 1.00 0.54 H new ATOM 0 HA ASP A 56 20.480 -3.706 -20.855 1.00 0.54 H new ATOM 0 HB2 ASP A 56 22.885 -3.686 -19.022 1.00 0.61 H new ATOM 0 HB3 ASP A 56 22.304 -5.292 -19.416 1.00 0.61 H new ATOM 895 N ALA A 57 19.888 -4.826 -17.885 1.00 0.31 N ATOM 896 CA ALA A 57 18.877 -5.618 -17.135 1.00 0.30 C ATOM 897 C ALA A 57 17.466 -4.969 -17.180 1.00 0.27 C ATOM 898 O ALA A 57 16.436 -5.610 -17.175 1.00 0.29 O ATOM 899 CB ALA A 57 19.424 -5.736 -15.727 1.00 0.37 C ATOM 0 H ALA A 57 20.699 -4.544 -17.335 1.00 0.31 H new ATOM 0 HA ALA A 57 18.727 -6.601 -17.581 1.00 0.30 H new ATOM 0 HB1 ALA A 57 18.729 -6.310 -15.114 1.00 0.37 H new ATOM 0 HB2 ALA A 57 20.389 -6.242 -15.753 1.00 0.37 H new ATOM 0 HB3 ALA A 57 19.548 -4.741 -15.300 1.00 0.37 H new ATOM 905 N TRP A 58 17.448 -3.671 -17.230 1.00 0.26 N ATOM 906 CA TRP A 58 16.153 -2.915 -17.278 1.00 0.25 C ATOM 907 C TRP A 58 15.558 -2.939 -18.703 1.00 0.23 C ATOM 908 O TRP A 58 14.425 -3.323 -18.910 1.00 0.30 O ATOM 909 CB TRP A 58 16.440 -1.478 -16.820 1.00 0.26 C ATOM 910 CG TRP A 58 15.202 -0.601 -17.035 1.00 0.27 C ATOM 911 CD1 TRP A 58 13.913 -1.038 -17.198 1.00 0.29 C ATOM 912 CD2 TRP A 58 15.239 0.741 -17.129 1.00 0.29 C ATOM 913 NE1 TRP A 58 13.267 0.098 -17.390 1.00 0.29 N ATOM 914 CE2 TRP A 58 13.974 1.197 -17.360 1.00 0.28 C ATOM 915 CE3 TRP A 58 16.255 1.659 -17.028 1.00 0.35 C ATOM 916 CZ2 TRP A 58 13.691 2.521 -17.496 1.00 0.32 C ATOM 917 CZ3 TRP A 58 15.969 3.006 -17.163 1.00 0.41 C ATOM 918 CH2 TRP A 58 14.695 3.444 -17.399 1.00 0.38 C ATOM 0 H TRP A 58 18.283 -3.086 -17.240 1.00 0.26 H new ATOM 0 HA TRP A 58 15.416 -3.377 -16.621 1.00 0.25 H new ATOM 0 HB2 TRP A 58 16.721 -1.473 -15.767 1.00 0.26 H new ATOM 0 HB3 TRP A 58 17.284 -1.072 -17.377 1.00 0.26 H new ATOM 0 HD1 TRP A 58 13.527 -2.046 -17.175 1.00 0.29 H new ATOM 0 HE1 TRP A 58 12.261 0.117 -17.554 1.00 0.29 H new ATOM 0 HE3 TRP A 58 17.268 1.333 -16.845 1.00 0.35 H new ATOM 0 HZ2 TRP A 58 12.676 2.842 -17.680 1.00 0.32 H new ATOM 0 HZ3 TRP A 58 16.769 3.727 -17.080 1.00 0.41 H new ATOM 0 HH2 TRP A 58 14.486 4.498 -17.507 1.00 0.38 H new ATOM 929 N ASN A 59 16.331 -2.530 -19.652 1.00 0.24 N ATOM 930 CA ASN A 59 15.961 -2.476 -21.087 1.00 0.32 C ATOM 931 C ASN A 59 15.157 -3.700 -21.573 1.00 0.41 C ATOM 932 O ASN A 59 14.488 -3.633 -22.584 1.00 0.56 O ATOM 933 CB ASN A 59 17.285 -2.328 -21.778 1.00 0.40 C ATOM 934 CG ASN A 59 17.149 -2.136 -23.260 1.00 0.48 C ATOM 935 OD1 ASN A 59 16.456 -1.293 -23.787 1.00 0.63 O ATOM 936 ND2 ASN A 59 17.842 -2.932 -23.983 1.00 0.60 N ATOM 0 H ASN A 59 17.282 -2.205 -19.476 1.00 0.24 H new ATOM 0 HA ASN A 59 15.276 -1.656 -21.303 1.00 0.32 H new ATOM 0 HB2 ASN A 59 17.818 -1.477 -21.353 1.00 0.40 H new ATOM 0 HB3 ASN A 59 17.891 -3.213 -21.585 1.00 0.40 H new ATOM 0 HD21 ASN A 59 17.810 -2.856 -25.000 1.00 0.60 H new ATOM 0 HD22 ASN A 59 18.426 -3.643 -23.543 1.00 0.60 H new ATOM 943 N GLU A 60 15.270 -4.749 -20.804 1.00 0.38 N ATOM 944 CA GLU A 60 14.589 -6.048 -21.094 1.00 0.51 C ATOM 945 C GLU A 60 13.108 -5.997 -20.661 1.00 0.50 C ATOM 946 O GLU A 60 12.181 -6.406 -21.329 1.00 0.71 O ATOM 947 CB GLU A 60 15.391 -7.101 -20.328 1.00 0.55 C ATOM 948 CG GLU A 60 14.884 -8.523 -20.691 1.00 0.65 C ATOM 949 CD GLU A 60 15.537 -9.561 -19.778 1.00 0.37 C ATOM 950 OE1 GLU A 60 15.237 -9.484 -18.599 1.00 1.14 O ATOM 951 OE2 GLU A 60 16.287 -10.355 -20.318 1.00 1.10 O ATOM 0 H GLU A 60 15.830 -4.760 -19.951 1.00 0.38 H new ATOM 0 HA GLU A 60 14.566 -6.281 -22.159 1.00 0.51 H new ATOM 0 HB2 GLU A 60 16.450 -7.011 -20.570 1.00 0.55 H new ATOM 0 HB3 GLU A 60 15.294 -6.934 -19.255 1.00 0.55 H new ATOM 0 HG2 GLU A 60 13.800 -8.568 -20.589 1.00 0.65 H new ATOM 0 HG3 GLU A 60 15.116 -8.746 -21.732 1.00 0.65 H new ATOM 958 N LEU A 61 12.977 -5.442 -19.497 1.00 0.32 N ATOM 959 CA LEU A 61 11.688 -5.221 -18.776 1.00 0.30 C ATOM 960 C LEU A 61 10.944 -4.033 -19.359 1.00 0.25 C ATOM 961 O LEU A 61 9.738 -3.933 -19.255 1.00 0.25 O ATOM 962 CB LEU A 61 11.914 -4.854 -17.345 1.00 0.37 C ATOM 963 CG LEU A 61 12.999 -5.622 -16.651 1.00 0.43 C ATOM 964 CD1 LEU A 61 13.140 -5.019 -15.282 1.00 0.48 C ATOM 965 CD2 LEU A 61 12.500 -7.026 -16.592 1.00 0.35 C ATOM 0 H LEU A 61 13.781 -5.103 -18.969 1.00 0.32 H new ATOM 0 HA LEU A 61 11.132 -6.154 -18.872 1.00 0.30 H new ATOM 0 HB2 LEU A 61 12.153 -3.792 -17.293 1.00 0.37 H new ATOM 0 HB3 LEU A 61 10.982 -4.999 -16.798 1.00 0.37 H new ATOM 0 HG LEU A 61 13.971 -5.594 -17.143 1.00 0.43 H new ATOM 0 HD11 LEU A 61 13.921 -5.544 -14.732 1.00 0.48 H new ATOM 0 HD12 LEU A 61 13.406 -3.966 -15.374 1.00 0.48 H new ATOM 0 HD13 LEU A 61 12.195 -5.109 -14.746 1.00 0.48 H new ATOM 0 HD21 LEU A 61 13.240 -7.655 -16.096 1.00 0.35 H new ATOM 0 HD22 LEU A 61 11.565 -7.057 -16.033 1.00 0.35 H new ATOM 0 HD23 LEU A 61 12.330 -7.395 -17.604 1.00 0.35 H new ATOM 977 N LYS A 62 11.731 -3.183 -19.930 1.00 0.32 N ATOM 978 CA LYS A 62 11.281 -1.932 -20.585 1.00 0.47 C ATOM 979 C LYS A 62 9.755 -1.841 -20.748 1.00 0.64 C ATOM 980 O LYS A 62 9.113 -1.020 -20.129 1.00 1.46 O ATOM 981 CB LYS A 62 12.085 -1.972 -21.869 1.00 0.39 C ATOM 982 CG LYS A 62 11.763 -0.829 -22.753 1.00 0.62 C ATOM 983 CD LYS A 62 12.563 -1.068 -24.050 1.00 0.87 C ATOM 984 CE LYS A 62 12.171 -0.063 -25.096 1.00 0.72 C ATOM 985 NZ LYS A 62 10.707 -0.241 -25.341 1.00 0.94 N ATOM 0 H LYS A 62 12.742 -3.315 -19.972 1.00 0.32 H new ATOM 0 HA LYS A 62 11.459 -1.022 -20.012 1.00 0.47 H new ATOM 0 HB2 LYS A 62 13.149 -1.961 -21.633 1.00 0.39 H new ATOM 0 HB3 LYS A 62 11.885 -2.906 -22.394 1.00 0.39 H new ATOM 0 HG2 LYS A 62 10.693 -0.780 -22.956 1.00 0.62 H new ATOM 0 HG3 LYS A 62 12.043 0.117 -22.289 1.00 0.62 H new ATOM 0 HD2 LYS A 62 13.631 -0.993 -23.846 1.00 0.87 H new ATOM 0 HD3 LYS A 62 12.379 -2.077 -24.418 1.00 0.87 H new ATOM 0 HE2 LYS A 62 12.386 0.951 -24.757 1.00 0.72 H new ATOM 0 HE3 LYS A 62 12.738 -0.219 -26.014 1.00 0.72 H new ATOM 0 HZ1 LYS A 62 10.547 -0.456 -26.346 1.00 0.94 H new ATOM 0 HZ2 LYS A 62 10.350 -1.025 -24.758 1.00 0.94 H new ATOM 0 HZ3 LYS A 62 10.204 0.634 -25.089 1.00 0.94 H new ATOM 999 N GLY A 63 9.212 -2.715 -21.530 1.00 0.56 N ATOM 1000 CA GLY A 63 7.714 -2.708 -21.761 1.00 0.47 C ATOM 1001 C GLY A 63 6.899 -3.353 -20.621 1.00 0.46 C ATOM 1002 O GLY A 63 5.917 -4.029 -20.850 1.00 0.49 O ATOM 0 H GLY A 63 9.723 -3.443 -22.029 1.00 0.56 H new ATOM 0 HA2 GLY A 63 7.382 -1.678 -21.893 1.00 0.47 H new ATOM 0 HA3 GLY A 63 7.498 -3.234 -22.691 1.00 0.47 H new ATOM 1006 N THR A 64 7.343 -3.102 -19.418 1.00 0.50 N ATOM 1007 CA THR A 64 6.687 -3.640 -18.169 1.00 0.54 C ATOM 1008 C THR A 64 5.741 -2.626 -17.589 1.00 0.46 C ATOM 1009 O THR A 64 5.808 -1.440 -17.857 1.00 0.46 O ATOM 1010 CB THR A 64 7.704 -3.937 -17.026 1.00 0.70 C ATOM 1011 OG1 THR A 64 8.406 -5.086 -17.432 1.00 1.05 O ATOM 1012 CG2 THR A 64 7.117 -4.451 -15.683 1.00 0.37 C ATOM 0 H THR A 64 8.164 -2.525 -19.235 1.00 0.50 H new ATOM 0 HA THR A 64 6.188 -4.556 -18.487 1.00 0.54 H new ATOM 0 HB THR A 64 8.228 -2.994 -16.871 1.00 0.70 H new ATOM 0 HG1 THR A 64 8.796 -4.935 -18.318 1.00 1.05 H new ATOM 0 HG21 THR A 64 7.927 -4.619 -14.973 1.00 0.37 H new ATOM 0 HG22 THR A 64 6.428 -3.709 -15.279 1.00 0.37 H new ATOM 0 HG23 THR A 64 6.584 -5.386 -15.853 1.00 0.37 H new ATOM 1020 N SER A 65 4.866 -3.147 -16.786 1.00 0.38 N ATOM 1021 CA SER A 65 3.876 -2.274 -16.122 1.00 0.33 C ATOM 1022 C SER A 65 4.398 -2.057 -14.705 1.00 0.14 C ATOM 1023 O SER A 65 4.525 -2.938 -13.874 1.00 0.41 O ATOM 1024 CB SER A 65 2.552 -2.926 -16.081 1.00 0.55 C ATOM 1025 OG SER A 65 2.288 -3.161 -17.466 1.00 2.08 O ATOM 0 H SER A 65 4.795 -4.139 -16.562 1.00 0.38 H new ATOM 0 HA SER A 65 3.754 -1.333 -16.658 1.00 0.33 H new ATOM 0 HB2 SER A 65 2.572 -3.853 -15.507 1.00 0.55 H new ATOM 0 HB3 SER A 65 1.797 -2.286 -15.626 1.00 0.55 H new ATOM 0 HG SER A 65 1.418 -3.601 -17.563 1.00 2.08 H new ATOM 1031 N LYS A 66 4.669 -0.805 -14.547 1.00 0.21 N ATOM 1032 CA LYS A 66 5.216 -0.172 -13.311 1.00 0.14 C ATOM 1033 C LYS A 66 5.144 -0.917 -11.961 1.00 0.15 C ATOM 1034 O LYS A 66 6.105 -1.167 -11.259 1.00 0.20 O ATOM 1035 CB LYS A 66 4.534 1.168 -13.099 1.00 0.17 C ATOM 1036 CG LYS A 66 4.644 2.173 -14.251 1.00 0.60 C ATOM 1037 CD LYS A 66 4.472 3.633 -13.690 1.00 0.94 C ATOM 1038 CE LYS A 66 3.465 3.762 -12.522 1.00 2.73 C ATOM 1039 NZ LYS A 66 2.177 3.129 -12.932 1.00 4.32 N ATOM 0 H LYS A 66 4.520 -0.127 -15.295 1.00 0.21 H new ATOM 0 HA LYS A 66 6.281 -0.142 -13.541 1.00 0.14 H new ATOM 0 HB2 LYS A 66 3.477 0.987 -12.902 1.00 0.17 H new ATOM 0 HB3 LYS A 66 4.952 1.627 -12.203 1.00 0.17 H new ATOM 0 HG2 LYS A 66 5.611 2.073 -14.744 1.00 0.60 H new ATOM 0 HG3 LYS A 66 3.880 1.968 -15.001 1.00 0.60 H new ATOM 0 HD2 LYS A 66 5.444 3.996 -13.356 1.00 0.94 H new ATOM 0 HD3 LYS A 66 4.151 4.284 -14.503 1.00 0.94 H new ATOM 0 HE2 LYS A 66 3.858 3.276 -11.629 1.00 2.73 H new ATOM 0 HE3 LYS A 66 3.308 4.811 -12.272 1.00 2.73 H new ATOM 0 HZ1 LYS A 66 1.396 3.798 -12.775 1.00 4.32 H new ATOM 0 HZ2 LYS A 66 2.219 2.877 -13.940 1.00 4.32 H new ATOM 0 HZ3 LYS A 66 2.017 2.270 -12.367 1.00 4.32 H new ATOM 1053 N GLU A 67 3.925 -1.253 -11.684 1.00 0.24 N ATOM 1054 CA GLU A 67 3.530 -1.959 -10.441 1.00 0.28 C ATOM 1055 C GLU A 67 3.997 -3.405 -10.360 1.00 0.23 C ATOM 1056 O GLU A 67 4.404 -3.843 -9.301 1.00 0.23 O ATOM 1057 CB GLU A 67 2.008 -1.885 -10.342 1.00 0.44 C ATOM 1058 CG GLU A 67 1.474 -0.565 -9.555 1.00 0.66 C ATOM 1059 CD GLU A 67 1.453 0.757 -10.326 1.00 1.03 C ATOM 1060 OE1 GLU A 67 1.813 0.763 -11.485 1.00 1.72 O ATOM 1061 OE2 GLU A 67 1.069 1.745 -9.713 1.00 1.85 O ATOM 0 H GLU A 67 3.141 -1.055 -12.305 1.00 0.24 H new ATOM 0 HA GLU A 67 4.022 -1.464 -9.604 1.00 0.28 H new ATOM 0 HB2 GLU A 67 1.585 -1.896 -11.347 1.00 0.44 H new ATOM 0 HB3 GLU A 67 1.641 -2.776 -9.832 1.00 0.44 H new ATOM 0 HG2 GLU A 67 0.461 -0.768 -9.207 1.00 0.66 H new ATOM 0 HG3 GLU A 67 2.094 -0.428 -8.669 1.00 0.66 H new ATOM 1068 N ASP A 68 3.958 -4.152 -11.429 1.00 0.27 N ATOM 1069 CA ASP A 68 4.434 -5.568 -11.271 1.00 0.34 C ATOM 1070 C ASP A 68 5.880 -5.607 -10.854 1.00 0.32 C ATOM 1071 O ASP A 68 6.310 -6.503 -10.159 1.00 0.50 O ATOM 1072 CB ASP A 68 4.206 -6.295 -12.583 1.00 0.34 C ATOM 1073 CG ASP A 68 3.285 -7.472 -12.275 1.00 0.81 C ATOM 1074 OD1 ASP A 68 2.241 -7.278 -11.673 1.00 0.97 O ATOM 1075 OD2 ASP A 68 3.659 -8.572 -12.637 1.00 2.03 O ATOM 0 H ASP A 68 3.638 -3.873 -12.356 1.00 0.27 H new ATOM 0 HA ASP A 68 3.872 -6.067 -10.481 1.00 0.34 H new ATOM 0 HB2 ASP A 68 3.754 -5.632 -13.320 1.00 0.34 H new ATOM 0 HB3 ASP A 68 5.150 -6.641 -13.003 1.00 0.34 H new ATOM 1080 N ALA A 69 6.588 -4.626 -11.302 1.00 0.34 N ATOM 1081 CA ALA A 69 8.022 -4.543 -10.941 1.00 0.56 C ATOM 1082 C ALA A 69 8.072 -4.497 -9.386 1.00 0.70 C ATOM 1083 O ALA A 69 8.693 -5.318 -8.734 1.00 0.98 O ATOM 1084 CB ALA A 69 8.538 -3.276 -11.570 1.00 0.66 C ATOM 0 H ALA A 69 6.241 -3.877 -11.902 1.00 0.34 H new ATOM 0 HA ALA A 69 8.630 -5.379 -11.287 1.00 0.56 H new ATOM 0 HB1 ALA A 69 9.597 -3.159 -11.338 1.00 0.66 H new ATOM 0 HB2 ALA A 69 8.407 -3.327 -12.651 1.00 0.66 H new ATOM 0 HB3 ALA A 69 7.984 -2.423 -11.177 1.00 0.66 H new ATOM 1090 N MET A 70 7.383 -3.501 -8.876 1.00 0.52 N ATOM 1091 CA MET A 70 7.295 -3.266 -7.403 1.00 0.52 C ATOM 1092 C MET A 70 7.222 -4.564 -6.605 1.00 0.53 C ATOM 1093 O MET A 70 8.042 -4.808 -5.737 1.00 0.62 O ATOM 1094 CB MET A 70 6.036 -2.438 -7.040 1.00 0.41 C ATOM 1095 CG MET A 70 5.958 -1.053 -7.691 1.00 0.34 C ATOM 1096 SD MET A 70 4.540 -0.065 -7.152 1.00 0.23 S ATOM 1097 CE MET A 70 4.980 1.490 -7.969 1.00 0.21 C ATOM 0 H MET A 70 6.865 -2.825 -9.438 1.00 0.52 H new ATOM 0 HA MET A 70 8.206 -2.727 -7.143 1.00 0.52 H new ATOM 0 HB2 MET A 70 5.151 -3.007 -7.326 1.00 0.41 H new ATOM 0 HB3 MET A 70 6.000 -2.316 -5.957 1.00 0.41 H new ATOM 0 HG2 MET A 70 6.874 -0.506 -7.469 1.00 0.34 H new ATOM 0 HG3 MET A 70 5.913 -1.174 -8.773 1.00 0.34 H new ATOM 0 HE1 MET A 70 4.219 2.241 -7.757 1.00 0.21 H new ATOM 0 HE2 MET A 70 5.945 1.836 -7.597 1.00 0.21 H new ATOM 0 HE3 MET A 70 5.042 1.331 -9.046 1.00 0.21 H new ATOM 1107 N LYS A 71 6.197 -5.297 -6.973 1.00 0.42 N ATOM 1108 CA LYS A 71 5.874 -6.628 -6.368 1.00 0.46 C ATOM 1109 C LYS A 71 7.146 -7.341 -5.890 1.00 0.61 C ATOM 1110 O LYS A 71 7.241 -7.831 -4.784 1.00 0.81 O ATOM 1111 CB LYS A 71 5.103 -7.414 -7.477 1.00 0.28 C ATOM 1112 CG LYS A 71 3.586 -7.509 -7.154 1.00 0.78 C ATOM 1113 CD LYS A 71 2.776 -7.921 -8.432 1.00 1.38 C ATOM 1114 CE LYS A 71 3.285 -9.219 -9.075 1.00 1.93 C ATOM 1115 NZ LYS A 71 2.484 -9.456 -10.314 1.00 2.90 N ATOM 0 H LYS A 71 5.543 -5.011 -7.702 1.00 0.42 H new ATOM 0 HA LYS A 71 5.259 -6.540 -5.473 1.00 0.46 H new ATOM 0 HB2 LYS A 71 5.242 -6.920 -8.439 1.00 0.28 H new ATOM 0 HB3 LYS A 71 5.520 -8.417 -7.571 1.00 0.28 H new ATOM 0 HG2 LYS A 71 3.422 -8.239 -6.362 1.00 0.78 H new ATOM 0 HG3 LYS A 71 3.227 -6.549 -6.782 1.00 0.78 H new ATOM 0 HD2 LYS A 71 1.726 -8.042 -8.166 1.00 1.38 H new ATOM 0 HD3 LYS A 71 2.829 -7.115 -9.164 1.00 1.38 H new ATOM 0 HE2 LYS A 71 4.345 -9.137 -9.315 1.00 1.93 H new ATOM 0 HE3 LYS A 71 3.178 -10.056 -8.384 1.00 1.93 H new ATOM 0 HZ1 LYS A 71 1.834 -10.253 -10.160 1.00 2.90 H new ATOM 0 HZ2 LYS A 71 1.936 -8.602 -10.542 1.00 2.90 H new ATOM 0 HZ3 LYS A 71 3.123 -9.678 -11.104 1.00 2.90 H new ATOM 1129 N ALA A 72 8.092 -7.364 -6.782 1.00 0.56 N ATOM 1130 CA ALA A 72 9.397 -8.015 -6.474 1.00 0.71 C ATOM 1131 C ALA A 72 10.425 -6.940 -6.065 1.00 0.67 C ATOM 1132 O ALA A 72 11.122 -7.149 -5.097 1.00 0.78 O ATOM 1133 CB ALA A 72 9.806 -8.780 -7.733 1.00 0.82 C ATOM 0 H ALA A 72 8.020 -6.959 -7.715 1.00 0.56 H new ATOM 0 HA ALA A 72 9.333 -8.709 -5.636 1.00 0.71 H new ATOM 0 HB1 ALA A 72 10.760 -9.278 -7.562 1.00 0.82 H new ATOM 0 HB2 ALA A 72 9.045 -9.524 -7.970 1.00 0.82 H new ATOM 0 HB3 ALA A 72 9.904 -8.084 -8.566 1.00 0.82 H new ATOM 1139 N TYR A 73 10.514 -5.834 -6.769 1.00 0.56 N ATOM 1140 CA TYR A 73 11.493 -4.752 -6.422 1.00 0.47 C ATOM 1141 C TYR A 73 11.658 -4.628 -4.924 1.00 0.41 C ATOM 1142 O TYR A 73 12.726 -4.790 -4.375 1.00 0.36 O ATOM 1143 CB TYR A 73 11.019 -3.414 -6.942 1.00 0.42 C ATOM 1144 CG TYR A 73 11.934 -2.313 -6.370 1.00 0.32 C ATOM 1145 CD1 TYR A 73 13.203 -2.160 -6.875 1.00 0.61 C ATOM 1146 CD2 TYR A 73 11.515 -1.462 -5.354 1.00 0.89 C ATOM 1147 CE1 TYR A 73 14.026 -1.191 -6.382 1.00 0.58 C ATOM 1148 CE2 TYR A 73 12.356 -0.489 -4.877 1.00 0.86 C ATOM 1149 CZ TYR A 73 13.605 -0.363 -5.397 1.00 0.18 C ATOM 1150 OH TYR A 73 14.455 0.601 -4.945 1.00 0.18 O ATOM 0 H TYR A 73 9.937 -5.632 -7.586 1.00 0.56 H new ATOM 0 HA TYR A 73 12.443 -5.024 -6.882 1.00 0.47 H new ATOM 0 HB2 TYR A 73 11.046 -3.400 -8.032 1.00 0.42 H new ATOM 0 HB3 TYR A 73 9.985 -3.238 -6.647 1.00 0.42 H new ATOM 0 HD1 TYR A 73 13.550 -2.810 -7.665 1.00 0.61 H new ATOM 0 HD2 TYR A 73 10.524 -1.567 -4.939 1.00 0.89 H new ATOM 0 HE1 TYR A 73 15.024 -1.083 -6.781 1.00 0.58 H new ATOM 0 HE2 TYR A 73 12.027 0.174 -4.091 1.00 0.86 H new ATOM 0 HH TYR A 73 14.571 1.285 -5.637 1.00 0.18 H new ATOM 1160 N ILE A 74 10.522 -4.345 -4.347 1.00 0.42 N ATOM 1161 CA ILE A 74 10.431 -4.163 -2.879 1.00 0.42 C ATOM 1162 C ILE A 74 11.062 -5.371 -2.211 1.00 0.47 C ATOM 1163 O ILE A 74 12.055 -5.245 -1.533 1.00 0.44 O ATOM 1164 CB ILE A 74 8.985 -4.054 -2.475 1.00 0.53 C ATOM 1165 CG1 ILE A 74 8.344 -2.887 -3.166 1.00 0.47 C ATOM 1166 CG2 ILE A 74 9.018 -3.725 -0.993 1.00 0.56 C ATOM 1167 CD1 ILE A 74 6.855 -2.854 -2.816 1.00 0.79 C ATOM 0 H ILE A 74 9.639 -4.231 -4.845 1.00 0.42 H new ATOM 0 HA ILE A 74 10.950 -3.254 -2.576 1.00 0.42 H new ATOM 0 HB ILE A 74 8.437 -4.964 -2.719 1.00 0.53 H new ATOM 0 HG12 ILE A 74 8.823 -1.958 -2.858 1.00 0.47 H new ATOM 0 HG13 ILE A 74 8.475 -2.971 -4.245 1.00 0.47 H new ATOM 0 HG21 ILE A 74 7.999 -3.628 -0.619 1.00 0.56 H new ATOM 0 HG22 ILE A 74 9.528 -4.524 -0.454 1.00 0.56 H new ATOM 0 HG23 ILE A 74 9.551 -2.787 -0.840 1.00 0.56 H new ATOM 0 HD11 ILE A 74 6.383 -2.008 -3.315 1.00 0.79 H new ATOM 0 HD12 ILE A 74 6.383 -3.780 -3.146 1.00 0.79 H new ATOM 0 HD13 ILE A 74 6.737 -2.751 -1.737 1.00 0.79 H new ATOM 1179 N ASP A 75 10.493 -6.526 -2.391 1.00 0.56 N ATOM 1180 CA ASP A 75 11.107 -7.728 -1.759 1.00 0.65 C ATOM 1181 C ASP A 75 12.623 -7.780 -1.925 1.00 0.56 C ATOM 1182 O ASP A 75 13.386 -8.009 -1.006 1.00 0.68 O ATOM 1183 CB ASP A 75 10.451 -8.941 -2.381 1.00 0.85 C ATOM 1184 CG ASP A 75 9.838 -9.913 -1.378 1.00 1.69 C ATOM 1185 OD1 ASP A 75 9.633 -9.539 -0.233 1.00 2.67 O ATOM 1186 OD2 ASP A 75 9.617 -11.009 -1.866 1.00 1.85 O ATOM 0 H ASP A 75 9.647 -6.692 -2.936 1.00 0.56 H new ATOM 0 HA ASP A 75 10.938 -7.694 -0.683 1.00 0.65 H new ATOM 0 HB2 ASP A 75 9.672 -8.606 -3.066 1.00 0.85 H new ATOM 0 HB3 ASP A 75 11.192 -9.473 -2.977 1.00 0.85 H new ATOM 1191 N LYS A 76 13.005 -7.526 -3.135 1.00 0.44 N ATOM 1192 CA LYS A 76 14.459 -7.548 -3.469 1.00 0.30 C ATOM 1193 C LYS A 76 15.175 -6.497 -2.640 1.00 0.23 C ATOM 1194 O LYS A 76 16.281 -6.714 -2.180 1.00 0.17 O ATOM 1195 CB LYS A 76 14.618 -7.307 -4.979 1.00 0.30 C ATOM 1196 CG LYS A 76 15.976 -7.956 -5.357 1.00 0.25 C ATOM 1197 CD LYS A 76 15.761 -9.503 -5.395 1.00 0.53 C ATOM 1198 CE LYS A 76 16.992 -10.222 -5.909 1.00 0.56 C ATOM 1199 NZ LYS A 76 16.696 -11.690 -5.773 1.00 1.45 N ATOM 0 H LYS A 76 12.381 -7.304 -3.911 1.00 0.44 H new ATOM 0 HA LYS A 76 14.905 -8.514 -3.232 1.00 0.30 H new ATOM 0 HB2 LYS A 76 13.798 -7.758 -5.538 1.00 0.30 H new ATOM 0 HB3 LYS A 76 14.613 -6.242 -5.210 1.00 0.30 H new ATOM 0 HG2 LYS A 76 16.319 -7.592 -6.326 1.00 0.25 H new ATOM 0 HG3 LYS A 76 16.743 -7.693 -4.628 1.00 0.25 H new ATOM 0 HD2 LYS A 76 15.519 -9.863 -4.395 1.00 0.53 H new ATOM 0 HD3 LYS A 76 14.909 -9.737 -6.033 1.00 0.53 H new ATOM 0 HE2 LYS A 76 17.194 -9.958 -6.947 1.00 0.56 H new ATOM 0 HE3 LYS A 76 17.875 -9.946 -5.333 1.00 0.56 H new ATOM 0 HZ1 LYS A 76 17.510 -12.241 -6.112 1.00 1.45 H new ATOM 0 HZ2 LYS A 76 16.516 -11.917 -4.774 1.00 1.45 H new ATOM 0 HZ3 LYS A 76 15.856 -11.929 -6.338 1.00 1.45 H new ATOM 1213 N VAL A 77 14.530 -5.385 -2.470 1.00 0.30 N ATOM 1214 CA VAL A 77 15.123 -4.281 -1.662 1.00 0.20 C ATOM 1215 C VAL A 77 15.204 -4.855 -0.247 1.00 0.28 C ATOM 1216 O VAL A 77 16.272 -4.846 0.334 1.00 0.28 O ATOM 1217 CB VAL A 77 14.191 -3.032 -1.689 1.00 0.19 C ATOM 1218 CG1 VAL A 77 14.645 -2.032 -0.597 1.00 0.14 C ATOM 1219 CG2 VAL A 77 14.261 -2.322 -3.051 1.00 0.20 C ATOM 0 H VAL A 77 13.608 -5.187 -2.858 1.00 0.30 H new ATOM 0 HA VAL A 77 16.093 -3.957 -2.039 1.00 0.20 H new ATOM 0 HB VAL A 77 13.169 -3.366 -1.511 1.00 0.19 H new ATOM 0 HG11 VAL A 77 13.996 -1.157 -0.613 1.00 0.14 H new ATOM 0 HG12 VAL A 77 14.587 -2.510 0.381 1.00 0.14 H new ATOM 0 HG13 VAL A 77 15.673 -1.725 -0.790 1.00 0.14 H new ATOM 0 HG21 VAL A 77 13.602 -1.454 -3.043 1.00 0.20 H new ATOM 0 HG22 VAL A 77 15.284 -1.998 -3.240 1.00 0.20 H new ATOM 0 HG23 VAL A 77 13.947 -3.009 -3.836 1.00 0.20 H new ATOM 1229 N GLU A 78 14.102 -5.332 0.279 1.00 0.47 N ATOM 1230 CA GLU A 78 14.099 -5.910 1.649 1.00 0.62 C ATOM 1231 C GLU A 78 15.322 -6.834 1.726 1.00 0.50 C ATOM 1232 O GLU A 78 16.132 -6.705 2.626 1.00 0.60 O ATOM 1233 CB GLU A 78 12.702 -6.590 1.802 1.00 0.78 C ATOM 1234 CG GLU A 78 11.814 -5.719 2.795 1.00 0.94 C ATOM 1235 CD GLU A 78 11.758 -4.237 2.350 1.00 1.69 C ATOM 1236 OE1 GLU A 78 10.909 -3.987 1.510 1.00 2.59 O ATOM 1237 OE2 GLU A 78 12.570 -3.470 2.878 1.00 2.26 O ATOM 0 H GLU A 78 13.197 -5.343 -0.192 1.00 0.47 H new ATOM 0 HA GLU A 78 14.202 -5.212 2.480 1.00 0.62 H new ATOM 0 HB2 GLU A 78 12.213 -6.671 0.831 1.00 0.78 H new ATOM 0 HB3 GLU A 78 12.816 -7.603 2.187 1.00 0.78 H new ATOM 0 HG2 GLU A 78 10.804 -6.127 2.835 1.00 0.94 H new ATOM 0 HG3 GLU A 78 12.224 -5.783 3.803 1.00 0.94 H new ATOM 1244 N GLU A 79 15.426 -7.740 0.796 1.00 0.38 N ATOM 1245 CA GLU A 79 16.582 -8.676 0.755 1.00 0.20 C ATOM 1246 C GLU A 79 17.848 -7.851 0.980 1.00 0.15 C ATOM 1247 O GLU A 79 18.581 -8.018 1.936 1.00 0.22 O ATOM 1248 CB GLU A 79 16.558 -9.364 -0.612 1.00 0.20 C ATOM 1249 CG GLU A 79 15.625 -10.584 -0.501 1.00 0.46 C ATOM 1250 CD GLU A 79 16.290 -11.600 0.404 1.00 1.89 C ATOM 1251 OE1 GLU A 79 17.154 -12.234 -0.182 1.00 1.90 O ATOM 1252 OE2 GLU A 79 15.918 -11.644 1.573 1.00 3.15 O ATOM 0 H GLU A 79 14.745 -7.874 0.048 1.00 0.38 H new ATOM 0 HA GLU A 79 16.543 -9.447 1.525 1.00 0.20 H new ATOM 0 HB2 GLU A 79 16.202 -8.678 -1.380 1.00 0.20 H new ATOM 0 HB3 GLU A 79 17.562 -9.674 -0.903 1.00 0.20 H new ATOM 0 HG2 GLU A 79 14.657 -10.288 -0.096 1.00 0.46 H new ATOM 0 HG3 GLU A 79 15.440 -11.014 -1.486 1.00 0.46 H new ATOM 1259 N LEU A 80 18.092 -6.956 0.074 1.00 0.13 N ATOM 1260 CA LEU A 80 19.296 -6.100 0.224 1.00 0.23 C ATOM 1261 C LEU A 80 19.466 -5.499 1.601 1.00 0.29 C ATOM 1262 O LEU A 80 20.518 -5.590 2.189 1.00 0.38 O ATOM 1263 CB LEU A 80 19.212 -4.995 -0.749 1.00 0.28 C ATOM 1264 CG LEU A 80 19.482 -5.480 -2.129 1.00 0.29 C ATOM 1265 CD1 LEU A 80 19.439 -4.263 -3.013 1.00 0.30 C ATOM 1266 CD2 LEU A 80 20.891 -6.069 -2.109 1.00 0.38 C ATOM 0 H LEU A 80 17.521 -6.779 -0.753 1.00 0.13 H new ATOM 0 HA LEU A 80 20.155 -6.749 0.054 1.00 0.23 H new ATOM 0 HB2 LEU A 80 18.222 -4.542 -0.706 1.00 0.28 H new ATOM 0 HB3 LEU A 80 19.930 -4.218 -0.486 1.00 0.28 H new ATOM 0 HG LEU A 80 18.771 -6.227 -2.482 1.00 0.29 H new ATOM 0 HD11 LEU A 80 19.631 -4.556 -4.045 1.00 0.30 H new ATOM 0 HD12 LEU A 80 18.455 -3.798 -2.945 1.00 0.30 H new ATOM 0 HD13 LEU A 80 20.199 -3.552 -2.690 1.00 0.30 H new ATOM 0 HD21 LEU A 80 21.143 -6.442 -3.101 1.00 0.38 H new ATOM 0 HD22 LEU A 80 21.604 -5.297 -1.820 1.00 0.38 H new ATOM 0 HD23 LEU A 80 20.933 -6.889 -1.392 1.00 0.38 H new ATOM 1278 N LYS A 81 18.434 -4.884 2.070 1.00 0.30 N ATOM 1279 CA LYS A 81 18.461 -4.241 3.424 1.00 0.50 C ATOM 1280 C LYS A 81 19.112 -5.169 4.453 1.00 0.44 C ATOM 1281 O LYS A 81 19.907 -4.734 5.260 1.00 0.64 O ATOM 1282 CB LYS A 81 17.040 -3.931 3.840 1.00 0.65 C ATOM 1283 CG LYS A 81 17.033 -3.141 5.175 1.00 1.08 C ATOM 1284 CD LYS A 81 15.772 -2.230 5.275 1.00 1.59 C ATOM 1285 CE LYS A 81 14.488 -3.021 5.440 1.00 0.63 C ATOM 1286 NZ LYS A 81 13.368 -2.059 5.228 1.00 1.07 N ATOM 0 H LYS A 81 17.548 -4.790 1.573 1.00 0.30 H new ATOM 0 HA LYS A 81 19.049 -3.324 3.375 1.00 0.50 H new ATOM 0 HB2 LYS A 81 16.544 -3.350 3.062 1.00 0.65 H new ATOM 0 HB3 LYS A 81 16.476 -4.857 3.954 1.00 0.65 H new ATOM 0 HG2 LYS A 81 17.052 -3.837 6.014 1.00 1.08 H new ATOM 0 HG3 LYS A 81 17.934 -2.531 5.246 1.00 1.08 H new ATOM 0 HD2 LYS A 81 15.886 -1.551 6.120 1.00 1.59 H new ATOM 0 HD3 LYS A 81 15.702 -1.615 4.378 1.00 1.59 H new ATOM 0 HE2 LYS A 81 14.440 -3.837 4.719 1.00 0.63 H new ATOM 0 HE3 LYS A 81 14.433 -3.468 6.432 1.00 0.63 H new ATOM 0 HZ1 LYS A 81 12.724 -2.091 6.044 1.00 1.07 H new ATOM 0 HZ2 LYS A 81 13.751 -1.097 5.127 1.00 1.07 H new ATOM 0 HZ3 LYS A 81 12.848 -2.317 4.365 1.00 1.07 H new ATOM 1300 N LYS A 82 18.721 -6.412 4.348 1.00 0.18 N ATOM 1301 CA LYS A 82 19.200 -7.502 5.227 1.00 0.09 C ATOM 1302 C LYS A 82 20.626 -7.918 4.916 1.00 0.13 C ATOM 1303 O LYS A 82 21.448 -8.163 5.772 1.00 0.32 O ATOM 1304 CB LYS A 82 18.253 -8.672 5.037 1.00 0.10 C ATOM 1305 CG LYS A 82 16.832 -8.277 5.563 1.00 0.40 C ATOM 1306 CD LYS A 82 15.764 -9.403 5.350 1.00 0.46 C ATOM 1307 CE LYS A 82 15.458 -9.520 3.864 1.00 1.21 C ATOM 1308 NZ LYS A 82 14.316 -10.453 3.595 1.00 1.59 N ATOM 0 H LYS A 82 18.051 -6.724 3.645 1.00 0.18 H new ATOM 0 HA LYS A 82 19.209 -7.157 6.261 1.00 0.09 H new ATOM 0 HB2 LYS A 82 18.201 -8.945 3.983 1.00 0.10 H new ATOM 0 HB3 LYS A 82 18.623 -9.545 5.574 1.00 0.10 H new ATOM 0 HG2 LYS A 82 16.897 -8.042 6.625 1.00 0.40 H new ATOM 0 HG3 LYS A 82 16.502 -7.371 5.055 1.00 0.40 H new ATOM 0 HD2 LYS A 82 16.136 -10.353 5.734 1.00 0.46 H new ATOM 0 HD3 LYS A 82 14.855 -9.170 5.904 1.00 0.46 H new ATOM 0 HE2 LYS A 82 15.222 -8.534 3.464 1.00 1.21 H new ATOM 0 HE3 LYS A 82 16.345 -9.873 3.338 1.00 1.21 H new ATOM 0 HZ1 LYS A 82 14.573 -11.103 2.825 1.00 1.59 H new ATOM 0 HZ2 LYS A 82 14.105 -11.000 4.454 1.00 1.59 H new ATOM 0 HZ3 LYS A 82 13.477 -9.904 3.319 1.00 1.59 H new ATOM 1322 N LYS A 83 20.858 -8.006 3.653 1.00 0.13 N ATOM 1323 CA LYS A 83 22.173 -8.392 3.094 1.00 0.11 C ATOM 1324 C LYS A 83 23.279 -7.431 3.436 1.00 0.23 C ATOM 1325 O LYS A 83 24.311 -7.796 3.956 1.00 0.22 O ATOM 1326 CB LYS A 83 22.011 -8.467 1.621 1.00 0.11 C ATOM 1327 CG LYS A 83 21.128 -9.642 1.354 1.00 0.15 C ATOM 1328 CD LYS A 83 20.514 -9.568 -0.047 1.00 0.33 C ATOM 1329 CE LYS A 83 19.929 -10.980 -0.154 1.00 0.74 C ATOM 1330 NZ LYS A 83 19.427 -11.257 -1.517 1.00 0.93 N ATOM 0 H LYS A 83 20.152 -7.816 2.942 1.00 0.13 H new ATOM 0 HA LYS A 83 22.468 -9.346 3.530 1.00 0.11 H new ATOM 0 HB2 LYS A 83 21.567 -7.551 1.232 1.00 0.11 H new ATOM 0 HB3 LYS A 83 22.976 -8.587 1.130 1.00 0.11 H new ATOM 0 HG2 LYS A 83 21.703 -10.562 1.453 1.00 0.15 H new ATOM 0 HG3 LYS A 83 20.334 -9.680 2.100 1.00 0.15 H new ATOM 0 HD2 LYS A 83 19.751 -8.793 -0.128 1.00 0.33 H new ATOM 0 HD3 LYS A 83 21.257 -9.365 -0.818 1.00 0.33 H new ATOM 0 HE2 LYS A 83 20.692 -11.712 0.109 1.00 0.74 H new ATOM 0 HE3 LYS A 83 19.117 -11.094 0.564 1.00 0.74 H new ATOM 0 HZ1 LYS A 83 18.392 -11.355 -1.493 1.00 0.93 H new ATOM 0 HZ2 LYS A 83 19.686 -10.472 -2.148 1.00 0.93 H new ATOM 0 HZ3 LYS A 83 19.850 -12.139 -1.870 1.00 0.93 H new ATOM 1344 N TYR A 84 22.993 -6.209 3.121 1.00 0.36 N ATOM 1345 CA TYR A 84 24.003 -5.147 3.397 1.00 0.50 C ATOM 1346 C TYR A 84 23.718 -4.521 4.769 1.00 0.60 C ATOM 1347 O TYR A 84 24.712 -4.367 5.455 1.00 0.73 O ATOM 1348 CB TYR A 84 23.950 -4.222 2.087 1.00 0.49 C ATOM 1349 CG TYR A 84 24.265 -5.308 1.033 1.00 0.45 C ATOM 1350 CD1 TYR A 84 25.554 -5.795 0.951 1.00 1.63 C ATOM 1351 CD2 TYR A 84 23.282 -5.876 0.229 1.00 1.59 C ATOM 1352 CE1 TYR A 84 25.853 -6.831 0.099 1.00 1.57 C ATOM 1353 CE2 TYR A 84 23.592 -6.918 -0.621 1.00 1.65 C ATOM 1354 CZ TYR A 84 24.880 -7.393 -0.683 1.00 0.49 C ATOM 1355 OH TYR A 84 25.241 -8.425 -1.514 1.00 0.57 O ATOM 0 H TYR A 84 22.122 -5.895 2.692 1.00 0.36 H new ATOM 0 HA TYR A 84 25.039 -5.462 3.521 1.00 0.50 H new ATOM 0 HB2 TYR A 84 22.977 -3.755 1.937 1.00 0.49 H new ATOM 0 HB3 TYR A 84 24.689 -3.421 2.104 1.00 0.49 H new ATOM 0 HD1 TYR A 84 26.332 -5.359 1.560 1.00 1.63 H new ATOM 0 HD2 TYR A 84 22.271 -5.499 0.270 1.00 1.59 H new ATOM 0 HE1 TYR A 84 26.865 -7.205 0.046 1.00 1.57 H new ATOM 0 HE2 TYR A 84 22.823 -7.360 -1.237 1.00 1.65 H new ATOM 0 HH TYR A 84 24.477 -8.677 -2.073 1.00 0.57 H new ATOM 1365 N GLY A 85 22.526 -4.161 5.202 1.00 0.61 N ATOM 1366 CA GLY A 85 22.473 -3.589 6.614 1.00 0.74 C ATOM 1367 C GLY A 85 21.979 -2.196 6.913 1.00 0.75 C ATOM 1368 O GLY A 85 22.734 -1.337 7.338 1.00 0.87 O ATOM 0 H GLY A 85 21.644 -4.226 4.693 1.00 0.61 H new ATOM 0 HA2 GLY A 85 21.857 -4.270 7.202 1.00 0.74 H new ATOM 0 HA3 GLY A 85 23.486 -3.651 7.012 1.00 0.74 H new ATOM 1372 N ILE A 86 20.715 -2.032 6.666 1.00 0.65 N ATOM 1373 CA ILE A 86 20.014 -0.768 6.895 1.00 0.65 C ATOM 1374 C ILE A 86 18.735 -1.045 7.740 1.00 0.46 C ATOM 1375 O ILE A 86 18.314 -2.193 7.766 1.00 0.90 O ATOM 1376 CB ILE A 86 19.783 -0.201 5.459 1.00 0.77 C ATOM 1377 CG1 ILE A 86 18.313 0.001 5.060 1.00 0.72 C ATOM 1378 CG2 ILE A 86 20.515 -0.898 4.336 1.00 1.22 C ATOM 1379 CD1 ILE A 86 18.016 1.480 4.744 1.00 0.66 C ATOM 1380 OXT ILE A 86 18.239 -0.095 8.318 1.00 0.91 O ATOM 0 H ILE A 86 20.118 -2.771 6.295 1.00 0.65 H new ATOM 0 HA ILE A 86 20.552 -0.023 7.481 1.00 0.65 H new ATOM 0 HB ILE A 86 20.242 0.781 5.577 1.00 0.77 H new ATOM 0 HG12 ILE A 86 18.083 -0.612 4.189 1.00 0.72 H new ATOM 0 HG13 ILE A 86 17.665 -0.338 5.868 1.00 0.72 H new ATOM 0 HG21 ILE A 86 20.275 -0.414 3.389 1.00 1.22 H new ATOM 0 HG22 ILE A 86 21.589 -0.840 4.511 1.00 1.22 H new ATOM 0 HG23 ILE A 86 20.210 -1.944 4.297 1.00 1.22 H new ATOM 0 HD11 ILE A 86 16.968 1.589 4.465 1.00 0.66 H new ATOM 0 HD12 ILE A 86 18.223 2.089 5.624 1.00 0.66 H new ATOM 0 HD13 ILE A 86 18.647 1.810 3.919 1.00 0.66 H new