USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 573 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 83 LYS NZ :NH3+ -118:sc= -1.05! (180deg=-0.672!) USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= 0.761 USER MOD Set 2.1: A 29 SER OG : rot -55:sc= 0.497 USER MOD Set 2.2: A 30 HIS : no HD1:sc= -2.21 K(o=-1.7,f=-0.95) USER MOD Single : A 7 LYS NZ :NH3+ -155:sc= -2.83 (180deg=-5.06!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= 0.667 K(o=0.67,f=-5.4!) USER MOD Single : A 16 LYS NZ :NH3+ -152:sc= -0.0589 (180deg=-0.595) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -127:sc= 0.267 (180deg=-2.29!) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 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 33 GLN : amide:sc= -3.4 K(o=-3.4,f=-1.8) USER MOD Single : A 35 THR OG1 : rot -170:sc= 0.95 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -142:sc= -0.101 (180deg=-1.06) USER MOD Single : A 59 ASN : amide:sc= -0.805 X(o=-0.8,f=-0.69) USER MOD Single : A 62 LYS NZ :NH3+ 174:sc= 0.188 (180deg=-0.181!) USER MOD Single : A 64 THR OG1 : rot 81:sc= 0.059 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -108:sc= -1.04 (180deg=-4.51!) USER MOD Single : A 73 TYR OH : rot -150:sc= -1.89! USER MOD Single : A 76 LYS NZ :NH3+ -127:sc= -1.68! (180deg=-5.62!) USER MOD Single : A 81 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.298) USER MOD Single : A 82 LYS NZ :NH3+ 155:sc= -0.042 (180deg=-0.569) USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 4.123 6.837 10.569 1.00 1.02 N ATOM 32 CA ALA A 3 3.335 7.295 11.767 1.00 0.83 C ATOM 33 C ALA A 3 4.189 8.053 12.801 1.00 0.63 C ATOM 34 O ALA A 3 3.841 9.098 13.300 1.00 0.76 O ATOM 35 CB ALA A 3 2.695 6.036 12.374 1.00 0.61 C ATOM 0 HA ALA A 3 2.579 8.017 11.458 1.00 0.83 H new ATOM 0 HB1 ALA A 3 2.109 6.312 13.251 1.00 0.61 H new ATOM 0 HB2 ALA A 3 2.045 5.566 11.636 1.00 0.61 H new ATOM 0 HB3 ALA A 3 3.477 5.335 12.667 1.00 0.61 H new ATOM 41 N GLU A 4 5.313 7.456 13.079 1.00 0.38 N ATOM 42 CA GLU A 4 6.307 8.001 14.052 1.00 0.21 C ATOM 43 C GLU A 4 6.661 9.487 13.819 1.00 0.27 C ATOM 44 O GLU A 4 6.897 10.272 14.713 1.00 0.37 O ATOM 45 CB GLU A 4 7.567 7.104 13.966 1.00 0.20 C ATOM 46 CG GLU A 4 8.055 6.823 12.469 1.00 1.86 C ATOM 47 CD GLU A 4 7.579 5.501 11.851 1.00 2.17 C ATOM 48 OE1 GLU A 4 6.390 5.263 11.721 1.00 4.30 O ATOM 49 OE2 GLU A 4 8.457 4.745 11.497 1.00 1.10 O ATOM 0 H GLU A 4 5.597 6.574 12.653 1.00 0.38 H new ATOM 0 HA GLU A 4 5.868 7.980 15.050 1.00 0.21 H new ATOM 0 HB2 GLU A 4 8.378 7.577 14.520 1.00 0.20 H new ATOM 0 HB3 GLU A 4 7.359 6.153 14.456 1.00 0.20 H new ATOM 0 HG2 GLU A 4 7.715 7.642 11.836 1.00 1.86 H new ATOM 0 HG3 GLU A 4 9.145 6.839 12.453 1.00 1.86 H new ATOM 56 N PHE A 5 6.664 9.817 12.573 1.00 0.25 N ATOM 57 CA PHE A 5 6.980 11.193 12.096 1.00 0.31 C ATOM 58 C PHE A 5 5.729 12.030 12.348 1.00 0.30 C ATOM 59 O PHE A 5 5.825 13.061 12.969 1.00 0.28 O ATOM 60 CB PHE A 5 7.294 11.109 10.635 1.00 0.28 C ATOM 61 CG PHE A 5 7.489 12.521 10.088 1.00 0.23 C ATOM 62 CD1 PHE A 5 8.617 13.281 10.356 1.00 2.36 C ATOM 63 CD2 PHE A 5 6.495 13.035 9.297 1.00 2.38 C ATOM 64 CE1 PHE A 5 8.742 14.550 9.828 1.00 2.32 C ATOM 65 CE2 PHE A 5 6.606 14.286 8.772 1.00 2.44 C ATOM 66 CZ PHE A 5 7.730 15.057 9.028 1.00 0.20 C ATOM 0 H PHE A 5 6.450 9.161 11.821 1.00 0.25 H new ATOM 0 HA PHE A 5 7.833 11.640 12.606 1.00 0.31 H new ATOM 0 HB2 PHE A 5 8.195 10.516 10.477 1.00 0.28 H new ATOM 0 HB3 PHE A 5 6.485 10.608 10.104 1.00 0.28 H new ATOM 0 HD1 PHE A 5 9.401 12.879 10.980 1.00 2.36 H new ATOM 0 HD2 PHE A 5 5.616 12.443 9.088 1.00 2.38 H new ATOM 0 HE1 PHE A 5 9.620 15.143 10.036 1.00 2.32 H new ATOM 0 HE2 PHE A 5 5.814 14.680 8.152 1.00 2.44 H new ATOM 0 HZ PHE A 5 7.816 16.047 8.606 1.00 0.20 H new ATOM 76 N ASP A 6 4.601 11.592 11.859 1.00 0.33 N ATOM 77 CA ASP A 6 3.325 12.321 12.062 1.00 0.39 C ATOM 78 C ASP A 6 3.292 12.684 13.549 1.00 0.36 C ATOM 79 O ASP A 6 3.174 13.809 13.979 1.00 0.48 O ATOM 80 CB ASP A 6 2.245 11.347 11.668 1.00 0.48 C ATOM 81 CG ASP A 6 2.469 10.834 10.269 1.00 0.95 C ATOM 82 OD1 ASP A 6 3.277 9.948 10.099 1.00 1.08 O ATOM 83 OD2 ASP A 6 1.797 11.383 9.429 1.00 1.14 O ATOM 0 H ASP A 6 4.513 10.735 11.313 1.00 0.33 H new ATOM 0 HA ASP A 6 3.201 13.235 11.481 1.00 0.39 H new ATOM 0 HB2 ASP A 6 2.230 10.512 12.368 1.00 0.48 H new ATOM 0 HB3 ASP A 6 1.271 11.833 11.730 1.00 0.48 H new ATOM 88 N LYS A 7 3.428 11.631 14.300 1.00 0.28 N ATOM 89 CA LYS A 7 3.434 11.723 15.769 1.00 0.31 C ATOM 90 C LYS A 7 4.450 12.822 16.123 1.00 0.37 C ATOM 91 O LYS A 7 4.105 13.719 16.863 1.00 0.39 O ATOM 92 CB LYS A 7 3.814 10.321 16.278 1.00 0.38 C ATOM 93 CG LYS A 7 3.499 10.121 17.773 1.00 0.40 C ATOM 94 CD LYS A 7 1.947 10.202 18.028 1.00 2.26 C ATOM 95 CE LYS A 7 1.635 11.452 18.818 1.00 4.15 C ATOM 96 NZ LYS A 7 2.422 11.353 20.081 1.00 5.46 N ATOM 0 H LYS A 7 3.538 10.684 13.937 1.00 0.28 H new ATOM 0 HA LYS A 7 2.484 11.995 16.229 1.00 0.31 H new ATOM 0 HB2 LYS A 7 3.279 9.571 15.695 1.00 0.38 H new ATOM 0 HB3 LYS A 7 4.878 10.155 16.111 1.00 0.38 H new ATOM 0 HG2 LYS A 7 3.877 9.154 18.104 1.00 0.40 H new ATOM 0 HG3 LYS A 7 4.010 10.882 18.363 1.00 0.40 H new ATOM 0 HD2 LYS A 7 1.411 10.215 17.079 1.00 2.26 H new ATOM 0 HD3 LYS A 7 1.610 9.320 18.573 1.00 2.26 H new ATOM 0 HE2 LYS A 7 1.909 12.346 18.257 1.00 4.15 H new ATOM 0 HE3 LYS A 7 0.568 11.523 19.029 1.00 4.15 H new ATOM 0 HZ1 LYS A 7 1.961 11.918 20.823 1.00 5.46 H new ATOM 0 HZ2 LYS A 7 2.471 10.359 20.383 1.00 5.46 H new ATOM 0 HZ3 LYS A 7 3.384 11.713 19.920 1.00 5.46 H new ATOM 110 N ALA A 8 5.665 12.768 15.612 1.00 0.41 N ATOM 111 CA ALA A 8 6.628 13.858 15.978 1.00 0.50 C ATOM 112 C ALA A 8 6.143 15.280 15.585 1.00 0.64 C ATOM 113 O ALA A 8 6.238 16.225 16.343 1.00 0.81 O ATOM 114 CB ALA A 8 7.960 13.494 15.300 1.00 0.35 C ATOM 0 H ALA A 8 6.018 12.047 14.983 1.00 0.41 H new ATOM 0 HA ALA A 8 6.730 13.913 17.062 1.00 0.50 H new ATOM 0 HB1 ALA A 8 8.706 14.255 15.531 1.00 0.35 H new ATOM 0 HB2 ALA A 8 8.303 12.527 15.667 1.00 0.35 H new ATOM 0 HB3 ALA A 8 7.817 13.442 14.221 1.00 0.35 H new ATOM 120 N ALA A 9 5.644 15.374 14.394 1.00 0.58 N ATOM 121 CA ALA A 9 5.122 16.660 13.819 1.00 0.66 C ATOM 122 C ALA A 9 3.961 17.218 14.642 1.00 0.68 C ATOM 123 O ALA A 9 3.929 18.382 15.004 1.00 0.79 O ATOM 124 CB ALA A 9 4.676 16.393 12.375 1.00 0.63 C ATOM 0 H ALA A 9 5.568 14.581 13.757 1.00 0.58 H new ATOM 0 HA ALA A 9 5.914 17.409 13.841 1.00 0.66 H new ATOM 0 HB1 ALA A 9 4.293 17.314 11.936 1.00 0.63 H new ATOM 0 HB2 ALA A 9 5.526 16.039 11.791 1.00 0.63 H new ATOM 0 HB3 ALA A 9 3.892 15.635 12.370 1.00 0.63 H new ATOM 130 N GLU A 10 3.045 16.354 14.961 1.00 0.55 N ATOM 131 CA GLU A 10 1.863 16.776 15.754 1.00 0.54 C ATOM 132 C GLU A 10 2.303 17.022 17.188 1.00 0.56 C ATOM 133 O GLU A 10 1.886 18.011 17.761 1.00 0.61 O ATOM 134 CB GLU A 10 0.781 15.661 15.668 1.00 0.53 C ATOM 135 CG GLU A 10 0.438 15.389 14.158 1.00 3.23 C ATOM 136 CD GLU A 10 0.243 16.661 13.329 1.00 4.45 C ATOM 137 OE1 GLU A 10 -0.276 17.621 13.883 1.00 5.41 O ATOM 138 OE2 GLU A 10 0.633 16.569 12.178 1.00 5.26 O ATOM 0 H GLU A 10 3.064 15.367 14.705 1.00 0.55 H new ATOM 0 HA GLU A 10 1.434 17.699 15.365 1.00 0.54 H new ATOM 0 HB2 GLU A 10 1.144 14.748 16.141 1.00 0.53 H new ATOM 0 HB3 GLU A 10 -0.116 15.965 16.208 1.00 0.53 H new ATOM 0 HG2 GLU A 10 1.238 14.797 13.714 1.00 3.23 H new ATOM 0 HG3 GLU A 10 -0.470 14.789 14.104 1.00 3.23 H new ATOM 145 N GLU A 11 3.112 16.169 17.765 1.00 0.50 N ATOM 146 CA GLU A 11 3.530 16.446 19.156 1.00 0.55 C ATOM 147 C GLU A 11 4.260 17.807 19.133 1.00 0.66 C ATOM 148 O GLU A 11 3.973 18.650 19.954 1.00 0.62 O ATOM 149 CB GLU A 11 4.447 15.321 19.577 1.00 0.53 C ATOM 150 CG GLU A 11 3.673 14.012 19.898 1.00 0.48 C ATOM 151 CD GLU A 11 2.922 14.004 21.259 1.00 2.09 C ATOM 152 OE1 GLU A 11 3.495 14.455 22.235 1.00 2.29 O ATOM 153 OE2 GLU A 11 1.808 13.505 21.227 1.00 3.88 O ATOM 0 H GLU A 11 3.487 15.320 17.342 1.00 0.50 H new ATOM 0 HA GLU A 11 2.700 16.499 19.861 1.00 0.55 H new ATOM 0 HB2 GLU A 11 5.168 15.128 18.783 1.00 0.53 H new ATOM 0 HB3 GLU A 11 5.015 15.628 20.455 1.00 0.53 H new ATOM 0 HG2 GLU A 11 2.951 13.831 19.102 1.00 0.48 H new ATOM 0 HG3 GLU A 11 4.377 13.180 19.885 1.00 0.48 H new ATOM 160 N VAL A 12 5.172 18.009 18.205 1.00 0.80 N ATOM 161 CA VAL A 12 5.901 19.321 18.155 1.00 0.88 C ATOM 162 C VAL A 12 4.867 20.443 18.167 1.00 0.91 C ATOM 163 O VAL A 12 4.950 21.328 18.999 1.00 1.02 O ATOM 164 CB VAL A 12 6.804 19.381 16.876 1.00 0.92 C ATOM 165 CG1 VAL A 12 6.334 20.335 15.753 1.00 0.90 C ATOM 166 CG2 VAL A 12 8.177 19.858 17.308 1.00 0.90 C ATOM 0 H VAL A 12 5.440 17.332 17.490 1.00 0.80 H new ATOM 0 HA VAL A 12 6.555 19.433 19.020 1.00 0.88 H new ATOM 0 HB VAL A 12 6.776 18.376 16.454 1.00 0.92 H new ATOM 0 HG11 VAL A 12 7.037 20.292 14.921 1.00 0.90 H new ATOM 0 HG12 VAL A 12 5.345 20.032 15.409 1.00 0.90 H new ATOM 0 HG13 VAL A 12 6.288 21.354 16.137 1.00 0.90 H new ATOM 0 HG21 VAL A 12 8.833 19.912 16.440 1.00 0.90 H new ATOM 0 HG22 VAL A 12 8.093 20.846 17.761 1.00 0.90 H new ATOM 0 HG23 VAL A 12 8.593 19.160 18.035 1.00 0.90 H new ATOM 176 N LYS A 13 3.917 20.393 17.267 1.00 0.86 N ATOM 177 CA LYS A 13 2.845 21.450 17.212 1.00 1.12 C ATOM 178 C LYS A 13 2.175 21.736 18.585 1.00 0.95 C ATOM 179 O LYS A 13 1.418 22.677 18.725 1.00 0.91 O ATOM 180 CB LYS A 13 1.781 20.988 16.187 1.00 1.22 C ATOM 181 CG LYS A 13 2.371 20.938 14.762 1.00 2.32 C ATOM 182 CD LYS A 13 2.500 22.363 14.170 1.00 3.42 C ATOM 183 CE LYS A 13 3.137 22.244 12.789 1.00 5.48 C ATOM 184 NZ LYS A 13 3.000 23.562 12.086 1.00 7.38 N ATOM 0 H LYS A 13 3.833 19.662 16.560 1.00 0.86 H new ATOM 0 HA LYS A 13 3.313 22.389 16.916 1.00 1.12 H new ATOM 0 HB2 LYS A 13 1.407 20.002 16.465 1.00 1.22 H new ATOM 0 HB3 LYS A 13 0.930 21.669 16.209 1.00 1.22 H new ATOM 0 HG2 LYS A 13 3.350 20.459 14.785 1.00 2.32 H new ATOM 0 HG3 LYS A 13 1.734 20.329 14.121 1.00 2.32 H new ATOM 0 HD2 LYS A 13 1.521 22.836 14.098 1.00 3.42 H new ATOM 0 HD3 LYS A 13 3.111 22.991 14.818 1.00 3.42 H new ATOM 0 HE2 LYS A 13 4.188 21.970 12.879 1.00 5.48 H new ATOM 0 HE3 LYS A 13 2.651 21.456 12.214 1.00 5.48 H new ATOM 0 HZ1 LYS A 13 3.430 23.498 11.141 1.00 7.38 H new ATOM 0 HZ2 LYS A 13 1.993 23.802 11.992 1.00 7.38 H new ATOM 0 HZ3 LYS A 13 3.482 24.301 12.636 1.00 7.38 H new ATOM 198 N HIS A 14 2.483 20.923 19.562 1.00 0.87 N ATOM 199 CA HIS A 14 1.919 21.067 20.932 1.00 0.81 C ATOM 200 C HIS A 14 2.986 20.886 22.043 1.00 0.96 C ATOM 201 O HIS A 14 2.601 20.530 23.138 1.00 0.90 O ATOM 202 CB HIS A 14 0.804 20.018 21.096 1.00 0.70 C ATOM 203 CG HIS A 14 -0.206 20.163 19.968 1.00 0.81 C ATOM 204 ND1 HIS A 14 -0.096 19.591 18.818 1.00 0.83 N ATOM 205 CD2 HIS A 14 -1.381 20.882 19.896 1.00 0.95 C ATOM 206 CE1 HIS A 14 -1.113 19.916 18.076 1.00 0.98 C ATOM 207 NE2 HIS A 14 -1.934 20.718 18.711 1.00 1.06 N ATOM 0 H HIS A 14 3.126 20.138 19.459 1.00 0.87 H new ATOM 0 HA HIS A 14 1.531 22.080 21.042 1.00 0.81 H new ATOM 0 HB2 HIS A 14 1.231 19.015 21.088 1.00 0.70 H new ATOM 0 HB3 HIS A 14 0.309 20.146 22.059 1.00 0.70 H new ATOM 0 HD1 HIS A 14 0.669 18.979 18.534 1.00 0.83 H new ATOM 0 HD2 HIS A 14 -1.787 21.489 20.692 1.00 0.95 H new ATOM 0 HE1 HIS A 14 -1.263 19.569 17.064 1.00 0.98 H new ATOM 215 N LEU A 15 4.265 21.099 21.802 1.00 1.16 N ATOM 216 CA LEU A 15 5.214 20.894 22.971 1.00 1.32 C ATOM 217 C LEU A 15 4.877 21.870 24.120 1.00 1.42 C ATOM 218 O LEU A 15 4.311 22.923 23.900 1.00 1.49 O ATOM 219 CB LEU A 15 6.708 21.150 22.569 1.00 1.59 C ATOM 220 CG LEU A 15 7.142 20.326 21.343 1.00 2.02 C ATOM 221 CD1 LEU A 15 8.631 20.517 21.109 1.00 2.09 C ATOM 222 CD2 LEU A 15 6.908 18.816 21.559 1.00 2.17 C ATOM 0 H LEU A 15 4.679 21.386 20.915 1.00 1.16 H new ATOM 0 HA LEU A 15 5.091 19.857 23.285 1.00 1.32 H new ATOM 0 HB2 LEU A 15 6.847 22.210 22.357 1.00 1.59 H new ATOM 0 HB3 LEU A 15 7.354 20.907 23.413 1.00 1.59 H new ATOM 0 HG LEU A 15 6.550 20.670 20.495 1.00 2.02 H new ATOM 0 HD11 LEU A 15 8.941 19.934 20.241 1.00 2.09 H new ATOM 0 HD12 LEU A 15 8.839 21.572 20.931 1.00 2.09 H new ATOM 0 HD13 LEU A 15 9.183 20.182 21.987 1.00 2.09 H new ATOM 0 HD21 LEU A 15 7.226 18.268 20.672 1.00 2.17 H new ATOM 0 HD22 LEU A 15 7.484 18.478 22.421 1.00 2.17 H new ATOM 0 HD23 LEU A 15 5.848 18.634 21.737 1.00 2.17 H new ATOM 234 N LYS A 16 5.229 21.521 25.332 1.00 1.50 N ATOM 235 CA LYS A 16 4.936 22.424 26.494 1.00 1.71 C ATOM 236 C LYS A 16 5.750 23.718 26.574 1.00 1.32 C ATOM 237 O LYS A 16 5.244 24.749 26.969 1.00 1.53 O ATOM 238 CB LYS A 16 5.118 21.525 27.734 1.00 1.87 C ATOM 239 CG LYS A 16 5.112 22.275 29.080 1.00 1.76 C ATOM 240 CD LYS A 16 5.126 21.170 30.188 1.00 0.48 C ATOM 241 CE LYS A 16 3.713 20.605 30.381 1.00 2.47 C ATOM 242 NZ LYS A 16 2.879 21.679 31.011 1.00 2.67 N ATOM 0 H LYS A 16 5.706 20.651 25.570 1.00 1.50 H new ATOM 0 HA LYS A 16 3.929 22.829 26.396 1.00 1.71 H new ATOM 0 HB2 LYS A 16 4.323 20.780 27.745 1.00 1.87 H new ATOM 0 HB3 LYS A 16 6.060 20.985 27.639 1.00 1.87 H new ATOM 0 HG2 LYS A 16 5.981 22.927 29.168 1.00 1.76 H new ATOM 0 HG3 LYS A 16 4.229 22.908 29.171 1.00 1.76 H new ATOM 0 HD2 LYS A 16 5.811 20.370 29.907 1.00 0.48 H new ATOM 0 HD3 LYS A 16 5.491 21.588 31.126 1.00 0.48 H new ATOM 0 HE2 LYS A 16 3.288 20.301 29.424 1.00 2.47 H new ATOM 0 HE3 LYS A 16 3.738 19.718 31.014 1.00 2.47 H new ATOM 0 HZ1 LYS A 16 2.120 21.244 31.574 1.00 2.67 H new ATOM 0 HZ2 LYS A 16 3.476 22.265 31.629 1.00 2.67 H new ATOM 0 HZ3 LYS A 16 2.461 22.275 30.268 1.00 2.67 H new ATOM 256 N THR A 17 6.984 23.625 26.197 1.00 0.92 N ATOM 257 CA THR A 17 7.920 24.812 26.221 1.00 0.78 C ATOM 258 C THR A 17 8.576 24.964 24.833 1.00 1.31 C ATOM 259 O THR A 17 8.309 24.184 23.939 1.00 1.37 O ATOM 260 CB THR A 17 8.952 24.544 27.341 1.00 0.88 C ATOM 261 OG1 THR A 17 8.184 24.504 28.544 1.00 1.28 O ATOM 262 CG2 THR A 17 9.974 25.650 27.592 1.00 1.30 C ATOM 0 H THR A 17 7.411 22.761 25.862 1.00 0.92 H new ATOM 0 HA THR A 17 7.404 25.749 26.429 1.00 0.78 H new ATOM 0 HB THR A 17 9.503 23.650 27.050 1.00 0.88 H new ATOM 0 HG1 THR A 17 8.777 24.334 29.305 1.00 1.28 H new ATOM 0 HG21 THR A 17 10.644 25.350 28.398 1.00 1.30 H new ATOM 0 HG22 THR A 17 10.553 25.824 26.685 1.00 1.30 H new ATOM 0 HG23 THR A 17 9.456 26.567 27.873 1.00 1.30 H new ATOM 270 N LYS A 18 9.416 25.948 24.663 1.00 1.80 N ATOM 271 CA LYS A 18 10.098 26.169 23.330 1.00 2.49 C ATOM 272 C LYS A 18 11.557 25.602 23.211 1.00 2.51 C ATOM 273 O LYS A 18 12.385 25.904 24.056 1.00 2.64 O ATOM 274 CB LYS A 18 10.120 27.716 23.044 1.00 2.98 C ATOM 275 CG LYS A 18 10.750 28.019 21.627 1.00 5.21 C ATOM 276 CD LYS A 18 11.240 29.510 21.540 1.00 6.13 C ATOM 277 CE LYS A 18 12.165 29.722 20.302 1.00 6.62 C ATOM 278 NZ LYS A 18 12.675 31.136 20.271 1.00 7.83 N ATOM 0 H LYS A 18 9.669 26.619 25.388 1.00 1.80 H new ATOM 0 HA LYS A 18 9.518 25.609 22.597 1.00 2.49 H new ATOM 0 HB2 LYS A 18 9.106 28.112 23.088 1.00 2.98 H new ATOM 0 HB3 LYS A 18 10.694 28.225 23.818 1.00 2.98 H new ATOM 0 HG2 LYS A 18 11.587 27.345 21.445 1.00 5.21 H new ATOM 0 HG3 LYS A 18 10.012 27.828 20.848 1.00 5.21 H new ATOM 0 HD2 LYS A 18 10.380 30.176 21.474 1.00 6.13 H new ATOM 0 HD3 LYS A 18 11.778 29.774 22.450 1.00 6.13 H new ATOM 0 HE2 LYS A 18 13.003 29.026 20.342 1.00 6.62 H new ATOM 0 HE3 LYS A 18 11.615 29.506 19.386 1.00 6.62 H new ATOM 0 HZ1 LYS A 18 12.471 31.558 19.343 1.00 7.83 H new ATOM 0 HZ2 LYS A 18 12.205 31.691 21.014 1.00 7.83 H new ATOM 0 HZ3 LYS A 18 13.702 31.138 20.435 1.00 7.83 H new ATOM 292 N PRO A 19 11.847 24.794 22.212 1.00 2.48 N ATOM 293 CA PRO A 19 13.225 24.249 22.055 1.00 2.57 C ATOM 294 C PRO A 19 14.101 25.416 21.495 1.00 2.55 C ATOM 295 O PRO A 19 13.586 26.465 21.152 1.00 2.62 O ATOM 296 CB PRO A 19 13.003 23.070 21.112 1.00 2.67 C ATOM 297 CG PRO A 19 11.909 23.636 20.171 1.00 2.78 C ATOM 298 CD PRO A 19 10.915 24.295 21.159 1.00 2.47 C ATOM 0 HA PRO A 19 13.747 23.901 22.947 1.00 2.57 H new ATOM 0 HB2 PRO A 19 13.910 22.799 20.572 1.00 2.67 H new ATOM 0 HB3 PRO A 19 12.669 22.178 21.641 1.00 2.67 H new ATOM 0 HG2 PRO A 19 12.317 24.359 19.465 1.00 2.78 H new ATOM 0 HG3 PRO A 19 11.434 22.850 19.584 1.00 2.78 H new ATOM 0 HD2 PRO A 19 10.347 25.102 20.696 1.00 2.47 H new ATOM 0 HD3 PRO A 19 10.192 23.581 21.553 1.00 2.47 H new ATOM 306 N ALA A 20 15.392 25.249 21.409 1.00 2.50 N ATOM 307 CA ALA A 20 16.208 26.394 20.867 1.00 2.43 C ATOM 308 C ALA A 20 15.728 26.767 19.419 1.00 1.78 C ATOM 309 O ALA A 20 15.266 25.906 18.686 1.00 1.52 O ATOM 310 CB ALA A 20 17.694 25.947 20.900 1.00 2.65 C ATOM 0 H ALA A 20 15.908 24.411 21.675 1.00 2.50 H new ATOM 0 HA ALA A 20 16.085 27.295 21.468 1.00 2.43 H new ATOM 0 HB1 ALA A 20 18.324 26.749 20.515 1.00 2.65 H new ATOM 0 HB2 ALA A 20 17.983 25.720 21.926 1.00 2.65 H new ATOM 0 HB3 ALA A 20 17.820 25.058 20.282 1.00 2.65 H new ATOM 316 N ASP A 21 15.804 28.013 19.004 1.00 1.53 N ATOM 317 CA ASP A 21 15.347 28.340 17.614 1.00 0.97 C ATOM 318 C ASP A 21 15.976 27.346 16.628 1.00 0.92 C ATOM 319 O ASP A 21 15.336 26.844 15.729 1.00 0.92 O ATOM 320 CB ASP A 21 15.731 29.798 17.371 1.00 0.44 C ATOM 321 CG ASP A 21 14.853 30.627 18.310 1.00 2.37 C ATOM 322 OD1 ASP A 21 15.192 30.643 19.483 1.00 3.64 O ATOM 323 OD2 ASP A 21 13.869 31.202 17.862 1.00 3.35 O ATOM 0 H ASP A 21 16.154 28.799 19.552 1.00 1.53 H new ATOM 0 HA ASP A 21 14.271 28.241 17.474 1.00 0.97 H new ATOM 0 HB2 ASP A 21 16.788 29.963 17.578 1.00 0.44 H new ATOM 0 HB3 ASP A 21 15.563 30.078 16.331 1.00 0.44 H new ATOM 328 N GLU A 22 17.227 27.058 16.806 1.00 0.92 N ATOM 329 CA GLU A 22 17.891 26.086 15.893 1.00 0.88 C ATOM 330 C GLU A 22 17.119 24.744 15.970 1.00 0.91 C ATOM 331 O GLU A 22 16.950 24.068 14.973 1.00 0.63 O ATOM 332 CB GLU A 22 19.373 25.848 16.325 1.00 1.09 C ATOM 333 CG GLU A 22 20.233 27.171 16.405 1.00 0.94 C ATOM 334 CD GLU A 22 20.011 28.031 17.667 1.00 1.71 C ATOM 335 OE1 GLU A 22 19.251 27.636 18.539 1.00 3.34 O ATOM 336 OE2 GLU A 22 20.652 29.067 17.668 1.00 2.95 O ATOM 0 H GLU A 22 17.820 27.448 17.538 1.00 0.92 H new ATOM 0 HA GLU A 22 17.886 26.481 14.877 1.00 0.88 H new ATOM 0 HB2 GLU A 22 19.384 25.359 17.299 1.00 1.09 H new ATOM 0 HB3 GLU A 22 19.842 25.163 15.619 1.00 1.09 H new ATOM 0 HG2 GLU A 22 21.288 26.902 16.351 1.00 0.94 H new ATOM 0 HG3 GLU A 22 20.014 27.780 15.528 1.00 0.94 H new ATOM 343 N GLU A 23 16.638 24.358 17.125 1.00 1.27 N ATOM 344 CA GLU A 23 15.882 23.059 17.249 1.00 1.37 C ATOM 345 C GLU A 23 14.603 23.126 16.428 1.00 1.40 C ATOM 346 O GLU A 23 14.341 22.316 15.554 1.00 1.41 O ATOM 347 CB GLU A 23 15.507 22.799 18.736 1.00 1.35 C ATOM 348 CG GLU A 23 16.742 22.522 19.615 1.00 1.33 C ATOM 349 CD GLU A 23 17.475 21.295 19.095 1.00 2.71 C ATOM 350 OE1 GLU A 23 18.172 21.436 18.109 1.00 4.98 O ATOM 351 OE2 GLU A 23 17.302 20.257 19.702 1.00 1.89 O ATOM 0 H GLU A 23 16.733 24.883 17.994 1.00 1.27 H new ATOM 0 HA GLU A 23 16.517 22.252 16.884 1.00 1.37 H new ATOM 0 HB2 GLU A 23 14.972 23.663 19.129 1.00 1.35 H new ATOM 0 HB3 GLU A 23 14.826 21.949 18.793 1.00 1.35 H new ATOM 0 HG2 GLU A 23 17.407 23.386 19.607 1.00 1.33 H new ATOM 0 HG3 GLU A 23 16.436 22.364 20.649 1.00 1.33 H new ATOM 358 N MET A 24 13.824 24.127 16.745 1.00 1.40 N ATOM 359 CA MET A 24 12.546 24.266 15.988 1.00 1.51 C ATOM 360 C MET A 24 12.917 24.393 14.486 1.00 1.16 C ATOM 361 O MET A 24 12.248 23.793 13.672 1.00 1.13 O ATOM 362 CB MET A 24 11.768 25.491 16.564 1.00 1.71 C ATOM 363 CG MET A 24 12.606 26.725 16.743 1.00 1.92 C ATOM 364 SD MET A 24 11.703 28.223 17.202 1.00 1.84 S ATOM 365 CE MET A 24 11.794 29.015 15.579 1.00 3.51 C ATOM 0 H MET A 24 14.005 24.827 17.464 1.00 1.40 H new ATOM 0 HA MET A 24 11.883 23.407 16.089 1.00 1.51 H new ATOM 0 HB2 MET A 24 10.936 25.724 15.899 1.00 1.71 H new ATOM 0 HB3 MET A 24 11.339 25.214 17.527 1.00 1.71 H new ATOM 0 HG2 MET A 24 13.356 26.525 17.509 1.00 1.92 H new ATOM 0 HG3 MET A 24 13.142 26.916 15.814 1.00 1.92 H new ATOM 0 HE1 MET A 24 11.290 29.981 15.617 1.00 3.51 H new ATOM 0 HE2 MET A 24 12.838 29.161 15.303 1.00 3.51 H new ATOM 0 HE3 MET A 24 11.308 28.381 14.837 1.00 3.51 H new ATOM 375 N LEU A 25 13.933 25.140 14.115 1.00 0.87 N ATOM 376 CA LEU A 25 14.340 25.274 12.692 1.00 0.50 C ATOM 377 C LEU A 25 14.678 23.868 12.167 1.00 0.38 C ATOM 378 O LEU A 25 14.293 23.526 11.066 1.00 0.23 O ATOM 379 CB LEU A 25 15.536 26.225 12.678 1.00 0.42 C ATOM 380 CG LEU A 25 15.069 27.697 12.630 1.00 0.53 C ATOM 381 CD1 LEU A 25 16.288 28.561 12.937 1.00 0.54 C ATOM 382 CD2 LEU A 25 14.607 28.016 11.202 1.00 0.50 C ATOM 0 H LEU A 25 14.509 25.675 14.765 1.00 0.87 H new ATOM 0 HA LEU A 25 13.563 25.681 12.045 1.00 0.50 H new ATOM 0 HB2 LEU A 25 16.146 26.062 13.566 1.00 0.42 H new ATOM 0 HB3 LEU A 25 16.166 26.011 11.815 1.00 0.42 H new ATOM 0 HG LEU A 25 14.259 27.878 13.337 1.00 0.53 H new ATOM 0 HD11 LEU A 25 16.004 29.613 12.914 1.00 0.54 H new ATOM 0 HD12 LEU A 25 16.672 28.311 13.926 1.00 0.54 H new ATOM 0 HD13 LEU A 25 17.061 28.378 12.191 1.00 0.54 H new ATOM 0 HD21 LEU A 25 14.274 29.052 11.150 1.00 0.50 H new ATOM 0 HD22 LEU A 25 15.435 27.866 10.510 1.00 0.50 H new ATOM 0 HD23 LEU A 25 13.783 27.356 10.930 1.00 0.50 H new ATOM 394 N PHE A 26 15.388 23.090 12.955 1.00 0.51 N ATOM 395 CA PHE A 26 15.754 21.692 12.533 1.00 0.50 C ATOM 396 C PHE A 26 14.401 21.072 12.150 1.00 0.39 C ATOM 397 O PHE A 26 14.227 20.650 11.026 1.00 0.28 O ATOM 398 CB PHE A 26 16.399 20.965 13.728 1.00 0.60 C ATOM 399 CG PHE A 26 16.896 19.567 13.331 1.00 0.56 C ATOM 400 CD1 PHE A 26 16.062 18.467 13.412 1.00 2.23 C ATOM 401 CD2 PHE A 26 18.189 19.393 12.890 1.00 2.60 C ATOM 402 CE1 PHE A 26 16.513 17.211 13.057 1.00 2.33 C ATOM 403 CE2 PHE A 26 18.647 18.143 12.538 1.00 2.52 C ATOM 404 CZ PHE A 26 17.808 17.049 12.620 1.00 0.51 C ATOM 0 H PHE A 26 15.732 23.363 13.876 1.00 0.51 H new ATOM 0 HA PHE A 26 16.470 21.638 11.713 1.00 0.50 H new ATOM 0 HB2 PHE A 26 17.233 21.555 14.108 1.00 0.60 H new ATOM 0 HB3 PHE A 26 15.674 20.879 14.538 1.00 0.60 H new ATOM 0 HD1 PHE A 26 15.046 18.592 13.757 1.00 2.23 H new ATOM 0 HD2 PHE A 26 18.850 20.244 12.820 1.00 2.60 H new ATOM 0 HE1 PHE A 26 15.852 16.359 13.122 1.00 2.33 H new ATOM 0 HE2 PHE A 26 19.664 18.018 12.197 1.00 2.52 H new ATOM 0 HZ PHE A 26 18.167 16.069 12.342 1.00 0.51 H new ATOM 414 N ILE A 27 13.489 21.049 13.098 1.00 0.59 N ATOM 415 CA ILE A 27 12.109 20.483 12.845 1.00 0.54 C ATOM 416 C ILE A 27 11.621 21.136 11.534 1.00 0.42 C ATOM 417 O ILE A 27 11.610 20.501 10.508 1.00 0.27 O ATOM 418 CB ILE A 27 11.198 20.862 14.058 1.00 0.65 C ATOM 419 CG1 ILE A 27 11.321 19.836 15.225 1.00 0.74 C ATOM 420 CG2 ILE A 27 9.677 20.984 13.703 1.00 0.66 C ATOM 421 CD1 ILE A 27 12.768 19.690 15.737 1.00 0.67 C ATOM 0 H ILE A 27 13.638 21.399 14.044 1.00 0.59 H new ATOM 0 HA ILE A 27 12.095 19.397 12.747 1.00 0.54 H new ATOM 0 HB ILE A 27 11.567 21.842 14.360 1.00 0.65 H new ATOM 0 HG12 ILE A 27 10.678 20.149 16.048 1.00 0.74 H new ATOM 0 HG13 ILE A 27 10.959 18.864 14.889 1.00 0.74 H new ATOM 0 HG21 ILE A 27 9.115 21.249 14.598 1.00 0.66 H new ATOM 0 HG22 ILE A 27 9.541 21.757 12.946 1.00 0.66 H new ATOM 0 HG23 ILE A 27 9.316 20.031 13.317 1.00 0.66 H new ATOM 0 HD11 ILE A 27 12.795 18.963 16.549 1.00 0.67 H new ATOM 0 HD12 ILE A 27 13.409 19.350 14.924 1.00 0.67 H new ATOM 0 HD13 ILE A 27 13.124 20.654 16.101 1.00 0.67 H new ATOM 433 N TYR A 28 11.218 22.372 11.619 1.00 0.57 N ATOM 434 CA TYR A 28 10.732 23.148 10.431 1.00 0.54 C ATOM 435 C TYR A 28 11.284 22.649 9.075 1.00 0.30 C ATOM 436 O TYR A 28 10.578 22.246 8.170 1.00 0.39 O ATOM 437 CB TYR A 28 11.124 24.612 10.623 1.00 0.78 C ATOM 438 CG TYR A 28 10.495 25.410 9.476 1.00 0.93 C ATOM 439 CD1 TYR A 28 11.119 25.541 8.244 1.00 0.91 C ATOM 440 CD2 TYR A 28 9.263 25.989 9.667 1.00 1.15 C ATOM 441 CE1 TYR A 28 10.505 26.239 7.227 1.00 1.12 C ATOM 442 CE2 TYR A 28 8.658 26.686 8.647 1.00 1.36 C ATOM 443 CZ TYR A 28 9.274 26.810 7.436 1.00 1.37 C ATOM 444 OH TYR A 28 8.618 27.517 6.465 1.00 1.65 O ATOM 0 H TYR A 28 11.203 22.899 12.492 1.00 0.57 H new ATOM 0 HA TYR A 28 9.652 23.012 10.384 1.00 0.54 H new ATOM 0 HB2 TYR A 28 10.770 24.981 11.586 1.00 0.78 H new ATOM 0 HB3 TYR A 28 12.208 24.723 10.618 1.00 0.78 H new ATOM 0 HD1 TYR A 28 12.089 25.095 8.082 1.00 0.91 H new ATOM 0 HD2 TYR A 28 8.768 25.896 10.622 1.00 1.15 H new ATOM 0 HE1 TYR A 28 10.991 26.337 6.267 1.00 1.12 H new ATOM 0 HE2 TYR A 28 7.690 27.138 8.806 1.00 1.36 H new ATOM 0 HH TYR A 28 7.761 27.837 6.816 1.00 1.65 H new ATOM 454 N SER A 29 12.585 22.684 8.988 1.00 0.15 N ATOM 455 CA SER A 29 13.330 22.258 7.759 1.00 0.15 C ATOM 456 C SER A 29 13.180 20.775 7.440 1.00 0.09 C ATOM 457 O SER A 29 12.725 20.408 6.371 1.00 0.20 O ATOM 458 CB SER A 29 14.798 22.634 7.998 1.00 0.29 C ATOM 459 OG SER A 29 15.219 21.826 9.091 1.00 0.35 O ATOM 0 H SER A 29 13.189 23.002 9.746 1.00 0.15 H new ATOM 0 HA SER A 29 12.918 22.764 6.886 1.00 0.15 H new ATOM 0 HB2 SER A 29 15.402 22.442 7.111 1.00 0.29 H new ATOM 0 HB3 SER A 29 14.900 23.694 8.230 1.00 0.29 H new ATOM 0 HG SER A 29 14.614 21.961 9.850 1.00 0.35 H new ATOM 465 N HIS A 30 13.562 19.948 8.370 1.00 0.11 N ATOM 466 CA HIS A 30 13.454 18.476 8.160 1.00 0.20 C ATOM 467 C HIS A 30 11.985 18.089 7.900 1.00 0.18 C ATOM 468 O HIS A 30 11.719 17.150 7.182 1.00 0.13 O ATOM 469 CB HIS A 30 13.990 17.757 9.421 1.00 0.29 C ATOM 470 CG HIS A 30 15.512 17.695 9.418 1.00 0.53 C ATOM 471 ND1 HIS A 30 16.187 16.614 9.612 1.00 2.65 N ATOM 472 CD2 HIS A 30 16.471 18.662 9.225 1.00 1.54 C ATOM 473 CE1 HIS A 30 17.459 16.868 9.543 1.00 2.22 C ATOM 474 NE2 HIS A 30 17.677 18.137 9.303 1.00 0.58 N ATOM 0 H HIS A 30 13.947 20.228 9.272 1.00 0.11 H new ATOM 0 HA HIS A 30 14.043 18.177 7.293 1.00 0.20 H new ATOM 0 HB2 HIS A 30 13.647 18.280 10.314 1.00 0.29 H new ATOM 0 HB3 HIS A 30 13.583 16.747 9.467 1.00 0.29 H new ATOM 0 HD2 HIS A 30 16.264 19.705 9.036 1.00 1.54 H new ATOM 0 HE1 HIS A 30 18.236 16.129 9.667 1.00 2.22 H new ATOM 0 HE2 HIS A 30 18.575 18.610 9.200 1.00 0.58 H new ATOM 482 N TYR A 31 11.065 18.819 8.468 1.00 0.24 N ATOM 483 CA TYR A 31 9.628 18.500 8.257 1.00 0.26 C ATOM 484 C TYR A 31 9.320 18.896 6.818 1.00 0.27 C ATOM 485 O TYR A 31 8.712 18.112 6.104 1.00 0.30 O ATOM 486 CB TYR A 31 8.719 19.318 9.223 1.00 0.16 C ATOM 487 CG TYR A 31 7.272 18.991 8.836 1.00 0.38 C ATOM 488 CD1 TYR A 31 6.703 19.574 7.717 1.00 2.71 C ATOM 489 CD2 TYR A 31 6.537 18.082 9.570 1.00 2.09 C ATOM 490 CE1 TYR A 31 5.430 19.247 7.335 1.00 2.90 C ATOM 491 CE2 TYR A 31 5.253 17.759 9.178 1.00 1.96 C ATOM 492 CZ TYR A 31 4.708 18.344 8.058 1.00 0.89 C ATOM 493 OH TYR A 31 3.449 18.021 7.622 1.00 1.15 O ATOM 0 H TYR A 31 11.248 19.623 9.069 1.00 0.24 H new ATOM 0 HA TYR A 31 9.437 17.444 8.450 1.00 0.26 H new ATOM 0 HB2 TYR A 31 8.914 19.049 10.261 1.00 0.16 H new ATOM 0 HB3 TYR A 31 8.914 20.386 9.129 1.00 0.16 H new ATOM 0 HD1 TYR A 31 7.268 20.292 7.141 1.00 2.71 H new ATOM 0 HD2 TYR A 31 6.965 17.624 10.449 1.00 2.09 H new ATOM 0 HE1 TYR A 31 4.996 19.705 6.459 1.00 2.90 H new ATOM 0 HE2 TYR A 31 4.677 17.047 9.750 1.00 1.96 H new ATOM 0 HH TYR A 31 3.050 17.365 8.231 1.00 1.15 H new ATOM 503 N LYS A 32 9.724 20.080 6.406 1.00 0.32 N ATOM 504 CA LYS A 32 9.404 20.431 4.978 1.00 0.42 C ATOM 505 C LYS A 32 10.041 19.384 4.077 1.00 0.48 C ATOM 506 O LYS A 32 9.332 18.817 3.277 1.00 0.54 O ATOM 507 CB LYS A 32 9.953 21.803 4.543 1.00 0.44 C ATOM 508 CG LYS A 32 9.345 22.986 5.285 1.00 0.38 C ATOM 509 CD LYS A 32 7.882 23.195 4.847 1.00 0.82 C ATOM 510 CE LYS A 32 7.282 24.273 5.739 1.00 1.12 C ATOM 511 NZ LYS A 32 5.945 24.654 5.191 1.00 1.78 N ATOM 0 H LYS A 32 10.228 20.778 6.953 1.00 0.32 H new ATOM 0 HA LYS A 32 8.318 20.465 4.896 1.00 0.42 H new ATOM 0 HB2 LYS A 32 11.033 21.813 4.691 1.00 0.44 H new ATOM 0 HB3 LYS A 32 9.777 21.930 3.475 1.00 0.44 H new ATOM 0 HG2 LYS A 32 9.389 22.812 6.360 1.00 0.38 H new ATOM 0 HG3 LYS A 32 9.924 23.887 5.084 1.00 0.38 H new ATOM 0 HD2 LYS A 32 7.835 23.495 3.800 1.00 0.82 H new ATOM 0 HD3 LYS A 32 7.319 22.266 4.938 1.00 0.82 H new ATOM 0 HE2 LYS A 32 7.182 23.906 6.761 1.00 1.12 H new ATOM 0 HE3 LYS A 32 7.938 25.143 5.775 1.00 1.12 H new ATOM 0 HZ1 LYS A 32 5.521 25.391 5.790 1.00 1.78 H new ATOM 0 HZ2 LYS A 32 6.057 25.017 4.223 1.00 1.78 H new ATOM 0 HZ3 LYS A 32 5.325 23.819 5.178 1.00 1.78 H new ATOM 525 N GLN A 33 11.317 19.117 4.194 1.00 0.45 N ATOM 526 CA GLN A 33 11.870 18.072 3.267 1.00 0.51 C ATOM 527 C GLN A 33 11.126 16.728 3.446 1.00 0.54 C ATOM 528 O GLN A 33 10.775 16.098 2.472 1.00 0.77 O ATOM 529 CB GLN A 33 13.373 17.873 3.542 1.00 0.47 C ATOM 530 CG GLN A 33 14.139 17.927 2.179 1.00 0.48 C ATOM 531 CD GLN A 33 13.724 16.847 1.157 1.00 0.79 C ATOM 532 OE1 GLN A 33 13.618 15.670 1.433 1.00 0.91 O ATOM 533 NE2 GLN A 33 13.497 17.223 -0.058 1.00 0.99 N ATOM 0 H GLN A 33 11.971 19.546 4.849 1.00 0.45 H new ATOM 0 HA GLN A 33 11.728 18.413 2.241 1.00 0.51 H new ATOM 0 HB2 GLN A 33 13.741 18.648 4.214 1.00 0.47 H new ATOM 0 HB3 GLN A 33 13.544 16.916 4.035 1.00 0.47 H new ATOM 0 HG2 GLN A 33 13.985 18.909 1.731 1.00 0.48 H new ATOM 0 HG3 GLN A 33 15.207 17.830 2.375 1.00 0.48 H new ATOM 0 HE21 GLN A 33 13.580 18.208 -0.311 1.00 0.99 H new ATOM 0 HE22 GLN A 33 13.234 16.535 -0.764 1.00 0.99 H new ATOM 542 N ALA A 34 10.880 16.297 4.647 1.00 0.35 N ATOM 543 CA ALA A 34 10.162 15.004 4.824 1.00 0.46 C ATOM 544 C ALA A 34 8.746 14.958 4.180 1.00 0.47 C ATOM 545 O ALA A 34 8.385 13.956 3.594 1.00 0.51 O ATOM 546 CB ALA A 34 10.092 14.762 6.329 1.00 0.42 C ATOM 0 H ALA A 34 11.141 16.777 5.508 1.00 0.35 H new ATOM 0 HA ALA A 34 10.709 14.220 4.301 1.00 0.46 H new ATOM 0 HB1 ALA A 34 9.573 13.823 6.523 1.00 0.42 H new ATOM 0 HB2 ALA A 34 11.102 14.710 6.736 1.00 0.42 H new ATOM 0 HB3 ALA A 34 9.551 15.580 6.804 1.00 0.42 H new ATOM 552 N THR A 35 8.001 16.025 4.304 1.00 0.44 N ATOM 553 CA THR A 35 6.599 16.058 3.720 1.00 0.44 C ATOM 554 C THR A 35 6.291 16.880 2.482 1.00 0.48 C ATOM 555 O THR A 35 5.466 16.487 1.684 1.00 0.45 O ATOM 556 CB THR A 35 5.629 16.511 4.804 1.00 0.28 C ATOM 557 OG1 THR A 35 6.017 17.839 5.073 1.00 0.23 O ATOM 558 CG2 THR A 35 5.952 15.868 6.128 1.00 0.31 C ATOM 0 H THR A 35 8.289 16.880 4.781 1.00 0.44 H new ATOM 0 HA THR A 35 6.494 15.032 3.368 1.00 0.44 H new ATOM 0 HB THR A 35 4.607 16.313 4.479 1.00 0.28 H new ATOM 0 HG1 THR A 35 5.549 18.161 5.872 1.00 0.23 H new ATOM 0 HG21 THR A 35 5.243 16.211 6.882 1.00 0.31 H new ATOM 0 HG22 THR A 35 5.884 14.784 6.032 1.00 0.31 H new ATOM 0 HG23 THR A 35 6.963 16.143 6.429 1.00 0.31 H new ATOM 566 N VAL A 36 6.943 17.985 2.333 1.00 0.60 N ATOM 567 CA VAL A 36 6.724 18.882 1.142 1.00 0.70 C ATOM 568 C VAL A 36 7.764 18.449 0.098 1.00 0.73 C ATOM 569 O VAL A 36 7.495 18.284 -1.077 1.00 0.77 O ATOM 570 CB VAL A 36 6.956 20.375 1.549 1.00 0.58 C ATOM 571 CG1 VAL A 36 6.849 21.245 0.277 1.00 0.66 C ATOM 572 CG2 VAL A 36 5.875 20.856 2.548 1.00 0.68 C ATOM 0 H VAL A 36 7.640 18.327 2.994 1.00 0.60 H new ATOM 0 HA VAL A 36 5.709 18.801 0.754 1.00 0.70 H new ATOM 0 HB VAL A 36 7.936 20.461 2.018 1.00 0.58 H new ATOM 0 HG11 VAL A 36 7.008 22.291 0.538 1.00 0.66 H new ATOM 0 HG12 VAL A 36 7.605 20.932 -0.443 1.00 0.66 H new ATOM 0 HG13 VAL A 36 5.859 21.127 -0.163 1.00 0.66 H new ATOM 0 HG21 VAL A 36 6.062 21.897 2.813 1.00 0.68 H new ATOM 0 HG22 VAL A 36 4.890 20.770 2.088 1.00 0.68 H new ATOM 0 HG23 VAL A 36 5.911 20.241 3.447 1.00 0.68 H new ATOM 582 N GLY A 37 8.951 18.300 0.616 1.00 0.73 N ATOM 583 CA GLY A 37 10.141 17.880 -0.160 1.00 0.74 C ATOM 584 C GLY A 37 11.158 19.009 -0.333 1.00 0.74 C ATOM 585 O GLY A 37 11.380 19.917 0.456 1.00 0.69 O ATOM 0 H GLY A 37 9.148 18.464 1.603 1.00 0.73 H new ATOM 0 HA2 GLY A 37 10.619 17.039 0.342 1.00 0.74 H new ATOM 0 HA3 GLY A 37 9.824 17.527 -1.142 1.00 0.74 H new ATOM 589 N ASP A 38 11.770 18.810 -1.454 1.00 0.83 N ATOM 590 CA ASP A 38 12.820 19.652 -2.035 1.00 0.90 C ATOM 591 C ASP A 38 12.257 21.079 -2.094 1.00 0.77 C ATOM 592 O ASP A 38 11.295 21.293 -2.808 1.00 0.85 O ATOM 593 CB ASP A 38 13.100 19.034 -3.447 1.00 1.16 C ATOM 594 CG ASP A 38 12.690 17.557 -3.561 1.00 1.95 C ATOM 595 OD1 ASP A 38 13.112 16.775 -2.729 1.00 0.80 O ATOM 596 OD2 ASP A 38 11.947 17.293 -4.482 1.00 3.75 O ATOM 0 H ASP A 38 11.551 18.007 -2.044 1.00 0.83 H new ATOM 0 HA ASP A 38 13.754 19.693 -1.474 1.00 0.90 H new ATOM 0 HB2 ASP A 38 12.564 19.611 -4.200 1.00 1.16 H new ATOM 0 HB3 ASP A 38 14.163 19.126 -3.671 1.00 1.16 H new ATOM 601 N ILE A 39 12.826 22.014 -1.371 1.00 0.68 N ATOM 602 CA ILE A 39 12.270 23.403 -1.443 1.00 0.67 C ATOM 603 C ILE A 39 11.981 23.734 -2.908 1.00 0.70 C ATOM 604 O ILE A 39 12.710 23.439 -3.845 1.00 0.63 O ATOM 605 CB ILE A 39 13.267 24.402 -0.835 1.00 0.69 C ATOM 606 CG1 ILE A 39 12.439 25.696 -0.608 1.00 1.02 C ATOM 607 CG2 ILE A 39 14.499 24.678 -1.722 1.00 0.46 C ATOM 608 CD1 ILE A 39 12.940 26.308 0.680 1.00 1.23 C ATOM 0 H ILE A 39 13.626 21.884 -0.752 1.00 0.68 H new ATOM 0 HA ILE A 39 11.345 23.471 -0.871 1.00 0.67 H new ATOM 0 HB ILE A 39 13.694 23.999 0.083 1.00 0.69 H new ATOM 0 HG12 ILE A 39 12.565 26.388 -1.441 1.00 1.02 H new ATOM 0 HG13 ILE A 39 11.375 25.469 -0.541 1.00 1.02 H new ATOM 0 HG21 ILE A 39 15.154 25.392 -1.223 1.00 0.46 H new ATOM 0 HG22 ILE A 39 15.040 23.747 -1.893 1.00 0.46 H new ATOM 0 HG23 ILE A 39 14.174 25.089 -2.678 1.00 0.46 H new ATOM 0 HD11 ILE A 39 12.388 27.225 0.886 1.00 1.23 H new ATOM 0 HD12 ILE A 39 12.793 25.604 1.499 1.00 1.23 H new ATOM 0 HD13 ILE A 39 14.001 26.537 0.585 1.00 1.23 H new ATOM 805 N LYS A 52 13.411 33.941 6.531 1.00 0.92 N ATOM 806 CA LYS A 52 14.810 33.550 6.123 1.00 0.93 C ATOM 807 C LYS A 52 15.372 32.348 6.892 1.00 0.73 C ATOM 808 O LYS A 52 15.833 31.427 6.267 1.00 0.70 O ATOM 809 CB LYS A 52 15.758 34.795 6.281 1.00 1.15 C ATOM 810 CG LYS A 52 15.859 35.383 7.717 1.00 2.01 C ATOM 811 CD LYS A 52 17.011 34.825 8.590 1.00 2.82 C ATOM 812 CE LYS A 52 18.365 35.111 7.968 1.00 2.95 C ATOM 813 NZ LYS A 52 19.400 34.735 8.992 1.00 3.74 N ATOM 0 HA LYS A 52 14.760 33.231 5.082 1.00 0.93 H new ATOM 0 HB2 LYS A 52 16.758 34.512 5.952 1.00 1.15 H new ATOM 0 HB3 LYS A 52 15.412 35.581 5.609 1.00 1.15 H new ATOM 0 HG2 LYS A 52 15.976 36.464 7.640 1.00 2.01 H new ATOM 0 HG3 LYS A 52 14.916 35.201 8.232 1.00 2.01 H new ATOM 0 HD2 LYS A 52 16.964 35.269 9.584 1.00 2.82 H new ATOM 0 HD3 LYS A 52 16.886 33.749 8.716 1.00 2.82 H new ATOM 0 HE2 LYS A 52 18.500 34.535 7.052 1.00 2.95 H new ATOM 0 HE3 LYS A 52 18.452 36.163 7.698 1.00 2.95 H new ATOM 0 HZ1 LYS A 52 20.350 34.915 8.608 1.00 3.74 H new ATOM 0 HZ2 LYS A 52 19.261 35.304 9.851 1.00 3.74 H new ATOM 0 HZ3 LYS A 52 19.307 33.726 9.226 1.00 3.74 H new ATOM 827 N ALA A 53 15.323 32.343 8.199 1.00 0.64 N ATOM 828 CA ALA A 53 15.880 31.163 8.955 1.00 0.45 C ATOM 829 C ALA A 53 15.168 29.898 8.440 1.00 0.43 C ATOM 830 O ALA A 53 15.745 28.982 7.904 1.00 0.37 O ATOM 831 CB ALA A 53 15.615 31.413 10.448 1.00 0.50 C ATOM 0 H ALA A 53 14.930 33.088 8.775 1.00 0.64 H new ATOM 0 HA ALA A 53 16.952 31.031 8.810 1.00 0.45 H new ATOM 0 HB1 ALA A 53 16.004 30.579 11.031 1.00 0.50 H new ATOM 0 HB2 ALA A 53 16.110 32.334 10.756 1.00 0.50 H new ATOM 0 HB3 ALA A 53 14.542 31.504 10.617 1.00 0.50 H new ATOM 837 N LYS A 54 13.892 29.908 8.646 1.00 0.56 N ATOM 838 CA LYS A 54 12.999 28.791 8.213 1.00 0.59 C ATOM 839 C LYS A 54 13.335 28.262 6.806 1.00 0.61 C ATOM 840 O LYS A 54 13.564 27.089 6.547 1.00 0.59 O ATOM 841 CB LYS A 54 11.538 29.322 8.242 1.00 0.68 C ATOM 842 CG LYS A 54 11.199 30.069 9.552 1.00 2.50 C ATOM 843 CD LYS A 54 11.278 29.094 10.751 1.00 4.98 C ATOM 844 CE LYS A 54 9.868 28.775 11.211 1.00 6.21 C ATOM 845 NZ LYS A 54 9.339 30.058 11.767 1.00 8.08 N ATOM 0 H LYS A 54 13.404 30.671 9.115 1.00 0.56 H new ATOM 0 HA LYS A 54 13.138 27.952 8.894 1.00 0.59 H new ATOM 0 HB2 LYS A 54 11.383 29.992 7.396 1.00 0.68 H new ATOM 0 HB3 LYS A 54 10.850 28.486 8.117 1.00 0.68 H new ATOM 0 HG2 LYS A 54 11.893 30.896 9.699 1.00 2.50 H new ATOM 0 HG3 LYS A 54 10.200 30.499 9.487 1.00 2.50 H new ATOM 0 HD2 LYS A 54 11.797 28.180 10.462 1.00 4.98 H new ATOM 0 HD3 LYS A 54 11.849 29.541 11.565 1.00 4.98 H new ATOM 0 HE2 LYS A 54 9.254 28.422 10.383 1.00 6.21 H new ATOM 0 HE3 LYS A 54 9.868 27.989 11.966 1.00 6.21 H new ATOM 0 HZ1 LYS A 54 8.758 29.859 12.606 1.00 8.08 H new ATOM 0 HZ2 LYS A 54 10.133 30.674 12.034 1.00 8.08 H new ATOM 0 HZ3 LYS A 54 8.757 30.534 11.048 1.00 8.08 H new ATOM 859 N TRP A 55 13.358 29.218 5.927 1.00 0.66 N ATOM 860 CA TRP A 55 13.640 28.951 4.519 1.00 0.68 C ATOM 861 C TRP A 55 14.999 28.389 4.334 1.00 0.60 C ATOM 862 O TRP A 55 15.143 27.263 3.925 1.00 0.57 O ATOM 863 CB TRP A 55 13.502 30.248 3.756 1.00 0.84 C ATOM 864 CG TRP A 55 13.471 29.815 2.309 1.00 0.80 C ATOM 865 CD1 TRP A 55 12.332 29.446 1.673 1.00 0.85 C ATOM 866 CD2 TRP A 55 14.535 29.710 1.489 1.00 0.82 C ATOM 867 NE1 TRP A 55 12.772 29.127 0.471 1.00 0.82 N ATOM 868 CE2 TRP A 55 14.066 29.257 0.271 1.00 0.83 C ATOM 869 CE3 TRP A 55 15.905 29.944 1.639 1.00 0.89 C ATOM 870 CZ2 TRP A 55 14.919 29.045 -0.790 1.00 0.90 C ATOM 871 CZ3 TRP A 55 16.772 29.722 0.573 1.00 1.00 C ATOM 872 CH2 TRP A 55 16.270 29.274 -0.649 1.00 1.02 C ATOM 0 H TRP A 55 13.186 30.199 6.146 1.00 0.66 H new ATOM 0 HA TRP A 55 12.933 28.211 4.145 1.00 0.68 H new ATOM 0 HB2 TRP A 55 12.592 30.780 4.034 1.00 0.84 H new ATOM 0 HB3 TRP A 55 14.337 30.919 3.955 1.00 0.84 H new ATOM 0 HD1 TRP A 55 11.322 29.420 2.054 1.00 0.85 H new ATOM 0 HE1 TRP A 55 12.144 28.798 -0.262 1.00 0.82 H new ATOM 0 HE3 TRP A 55 16.291 30.298 2.584 1.00 0.89 H new ATOM 0 HZ2 TRP A 55 14.527 28.698 -1.735 1.00 0.90 H new ATOM 0 HZ3 TRP A 55 17.831 29.896 0.692 1.00 1.00 H new ATOM 0 HH2 TRP A 55 16.938 29.107 -1.481 1.00 1.02 H new ATOM 883 N ASP A 56 15.960 29.188 4.650 1.00 0.57 N ATOM 884 CA ASP A 56 17.361 28.722 4.501 1.00 0.52 C ATOM 885 C ASP A 56 17.544 27.341 5.126 1.00 0.42 C ATOM 886 O ASP A 56 18.067 26.454 4.484 1.00 0.47 O ATOM 887 CB ASP A 56 18.249 29.835 5.125 1.00 0.49 C ATOM 888 CG ASP A 56 18.594 30.749 3.968 1.00 0.25 C ATOM 889 OD1 ASP A 56 19.244 30.204 3.089 1.00 1.91 O ATOM 890 OD2 ASP A 56 18.195 31.896 4.032 1.00 1.88 O ATOM 0 H ASP A 56 15.845 30.138 5.003 1.00 0.57 H new ATOM 0 HA ASP A 56 17.650 28.579 3.460 1.00 0.52 H new ATOM 0 HB2 ASP A 56 17.716 30.373 5.909 1.00 0.49 H new ATOM 0 HB3 ASP A 56 19.147 29.416 5.580 1.00 0.49 H new ATOM 895 N ALA A 57 17.085 27.199 6.336 1.00 0.32 N ATOM 896 CA ALA A 57 17.180 25.921 7.071 1.00 0.24 C ATOM 897 C ALA A 57 16.488 24.819 6.227 1.00 0.33 C ATOM 898 O ALA A 57 16.943 23.693 6.205 1.00 0.40 O ATOM 899 CB ALA A 57 16.506 26.158 8.416 1.00 0.19 C ATOM 0 H ALA A 57 16.632 27.948 6.860 1.00 0.32 H new ATOM 0 HA ALA A 57 18.204 25.588 7.241 1.00 0.24 H new ATOM 0 HB1 ALA A 57 16.544 25.244 9.008 1.00 0.19 H new ATOM 0 HB2 ALA A 57 17.024 26.956 8.947 1.00 0.19 H new ATOM 0 HB3 ALA A 57 15.466 26.444 8.257 1.00 0.19 H new ATOM 905 N TRP A 58 15.413 25.130 5.534 1.00 0.37 N ATOM 906 CA TRP A 58 14.768 24.059 4.717 1.00 0.47 C ATOM 907 C TRP A 58 15.566 24.002 3.406 1.00 0.67 C ATOM 908 O TRP A 58 16.030 22.922 3.129 1.00 0.67 O ATOM 909 CB TRP A 58 13.361 24.427 4.468 1.00 0.52 C ATOM 910 CG TRP A 58 12.754 23.421 3.463 1.00 0.58 C ATOM 911 CD1 TRP A 58 13.208 22.166 3.049 1.00 0.65 C ATOM 912 CD2 TRP A 58 11.632 23.715 2.801 1.00 0.63 C ATOM 913 NE1 TRP A 58 12.291 21.836 2.153 1.00 0.75 N ATOM 914 CE2 TRP A 58 11.317 22.690 1.934 1.00 0.74 C ATOM 915 CE3 TRP A 58 10.812 24.837 2.893 1.00 0.62 C ATOM 916 CZ2 TRP A 58 10.195 22.758 1.136 1.00 0.79 C ATOM 917 CZ3 TRP A 58 9.680 24.913 2.101 1.00 0.66 C ATOM 918 CH2 TRP A 58 9.379 23.879 1.226 1.00 0.75 C ATOM 0 H TRP A 58 14.970 26.048 5.500 1.00 0.37 H new ATOM 0 HA TRP A 58 14.770 23.089 5.213 1.00 0.47 H new ATOM 0 HB2 TRP A 58 12.797 24.416 5.401 1.00 0.52 H new ATOM 0 HB3 TRP A 58 13.300 25.440 4.071 1.00 0.52 H new ATOM 0 HD1 TRP A 58 14.076 21.612 3.374 1.00 0.65 H new ATOM 0 HE1 TRP A 58 12.339 20.950 1.650 1.00 0.75 H new ATOM 0 HE3 TRP A 58 11.057 25.638 3.574 1.00 0.62 H new ATOM 0 HZ2 TRP A 58 9.955 21.956 0.454 1.00 0.79 H new ATOM 0 HZ3 TRP A 58 9.032 25.775 2.164 1.00 0.66 H new ATOM 0 HH2 TRP A 58 8.497 23.947 0.606 1.00 0.75 H new ATOM 929 N ASN A 59 15.712 25.051 2.618 1.00 0.82 N ATOM 930 CA ASN A 59 16.505 25.045 1.347 1.00 0.98 C ATOM 931 C ASN A 59 17.743 24.148 1.529 1.00 1.03 C ATOM 932 O ASN A 59 18.004 23.310 0.697 1.00 1.15 O ATOM 933 CB ASN A 59 16.839 26.542 1.078 1.00 1.03 C ATOM 934 CG ASN A 59 18.118 26.740 0.286 1.00 1.25 C ATOM 935 OD1 ASN A 59 18.296 26.208 -0.789 1.00 1.21 O ATOM 936 ND2 ASN A 59 19.059 27.496 0.767 1.00 1.53 N ATOM 0 H ASN A 59 15.288 25.956 2.822 1.00 0.82 H new ATOM 0 HA ASN A 59 15.976 24.631 0.489 1.00 0.98 H new ATOM 0 HB2 ASN A 59 16.011 27.000 0.537 1.00 1.03 H new ATOM 0 HB3 ASN A 59 16.926 27.064 2.031 1.00 1.03 H new ATOM 0 HD21 ASN A 59 19.923 27.631 0.242 1.00 1.53 H new ATOM 0 HD22 ASN A 59 18.933 27.955 1.669 1.00 1.53 H new ATOM 943 N GLU A 60 18.430 24.378 2.614 1.00 0.95 N ATOM 944 CA GLU A 60 19.659 23.617 2.995 1.00 1.01 C ATOM 945 C GLU A 60 19.538 22.078 2.710 1.00 1.06 C ATOM 946 O GLU A 60 20.506 21.390 2.465 1.00 1.09 O ATOM 947 CB GLU A 60 19.879 23.928 4.492 1.00 0.88 C ATOM 948 CG GLU A 60 21.144 23.197 5.022 1.00 0.97 C ATOM 949 CD GLU A 60 21.507 23.665 6.432 1.00 0.92 C ATOM 950 OE1 GLU A 60 20.760 23.335 7.339 1.00 2.20 O ATOM 951 OE2 GLU A 60 22.525 24.333 6.506 1.00 2.49 O ATOM 0 H GLU A 60 18.176 25.101 3.287 1.00 0.95 H new ATOM 0 HA GLU A 60 20.515 23.922 2.393 1.00 1.01 H new ATOM 0 HB2 GLU A 60 19.988 25.003 4.634 1.00 0.88 H new ATOM 0 HB3 GLU A 60 19.006 23.618 5.066 1.00 0.88 H new ATOM 0 HG2 GLU A 60 20.969 22.121 5.027 1.00 0.97 H new ATOM 0 HG3 GLU A 60 21.981 23.381 4.349 1.00 0.97 H new ATOM 958 N LEU A 61 18.316 21.623 2.753 1.00 1.07 N ATOM 959 CA LEU A 61 17.881 20.211 2.538 1.00 1.14 C ATOM 960 C LEU A 61 17.294 19.859 1.145 1.00 1.16 C ATOM 961 O LEU A 61 16.919 18.723 0.929 1.00 1.24 O ATOM 962 CB LEU A 61 16.827 19.903 3.626 1.00 1.01 C ATOM 963 CG LEU A 61 17.323 20.161 5.055 1.00 0.84 C ATOM 964 CD1 LEU A 61 16.128 19.931 5.986 1.00 0.75 C ATOM 965 CD2 LEU A 61 18.434 19.138 5.398 1.00 1.14 C ATOM 0 H LEU A 61 17.527 22.240 2.948 1.00 1.07 H new ATOM 0 HA LEU A 61 18.783 19.601 2.596 1.00 1.14 H new ATOM 0 HB2 LEU A 61 15.941 20.510 3.443 1.00 1.01 H new ATOM 0 HB3 LEU A 61 16.522 18.860 3.539 1.00 1.01 H new ATOM 0 HG LEU A 61 17.721 21.170 5.160 1.00 0.84 H new ATOM 0 HD11 LEU A 61 16.433 20.103 7.018 1.00 0.75 H new ATOM 0 HD12 LEU A 61 15.325 20.620 5.725 1.00 0.75 H new ATOM 0 HD13 LEU A 61 15.775 18.905 5.878 1.00 0.75 H new ATOM 0 HD21 LEU A 61 18.791 19.315 6.412 1.00 1.14 H new ATOM 0 HD22 LEU A 61 18.033 18.127 5.326 1.00 1.14 H new ATOM 0 HD23 LEU A 61 19.261 19.250 4.697 1.00 1.14 H new ATOM 977 N LYS A 62 17.207 20.759 0.208 1.00 1.18 N ATOM 978 CA LYS A 62 16.627 20.441 -1.125 1.00 1.15 C ATOM 979 C LYS A 62 16.623 19.045 -1.699 1.00 1.07 C ATOM 980 O LYS A 62 15.607 18.690 -2.240 1.00 1.07 O ATOM 981 CB LYS A 62 17.246 21.469 -2.145 1.00 1.24 C ATOM 982 CG LYS A 62 16.486 21.286 -3.513 1.00 1.27 C ATOM 983 CD LYS A 62 16.386 22.620 -4.303 1.00 2.37 C ATOM 984 CE LYS A 62 15.492 22.427 -5.557 1.00 4.35 C ATOM 985 NZ LYS A 62 14.104 22.010 -5.146 1.00 5.51 N ATOM 0 H LYS A 62 17.521 21.724 0.313 1.00 1.18 H new ATOM 0 HA LYS A 62 15.555 20.521 -0.943 1.00 1.15 H new ATOM 0 HB2 LYS A 62 17.136 22.489 -1.777 1.00 1.24 H new ATOM 0 HB3 LYS A 62 18.314 21.290 -2.271 1.00 1.24 H new ATOM 0 HG2 LYS A 62 17.004 20.543 -4.119 1.00 1.27 H new ATOM 0 HG3 LYS A 62 15.484 20.901 -3.323 1.00 1.27 H new ATOM 0 HD2 LYS A 62 15.969 23.400 -3.665 1.00 2.37 H new ATOM 0 HD3 LYS A 62 17.381 22.951 -4.602 1.00 2.37 H new ATOM 0 HE2 LYS A 62 15.447 23.355 -6.127 1.00 4.35 H new ATOM 0 HE3 LYS A 62 15.928 21.672 -6.211 1.00 4.35 H new ATOM 0 HZ1 LYS A 62 13.488 21.982 -5.983 1.00 5.51 H new ATOM 0 HZ2 LYS A 62 14.140 21.066 -4.711 1.00 5.51 H new ATOM 0 HZ3 LYS A 62 13.725 22.693 -4.460 1.00 5.51 H new ATOM 999 N GLY A 63 17.638 18.264 -1.629 1.00 1.07 N ATOM 1000 CA GLY A 63 17.562 16.863 -2.222 1.00 1.07 C ATOM 1001 C GLY A 63 17.775 15.760 -1.164 1.00 0.70 C ATOM 1002 O GLY A 63 18.146 14.648 -1.483 1.00 0.62 O ATOM 0 H GLY A 63 18.529 18.504 -1.195 1.00 1.07 H new ATOM 0 HA2 GLY A 63 16.590 16.725 -2.695 1.00 1.07 H new ATOM 0 HA3 GLY A 63 18.315 16.762 -3.004 1.00 1.07 H new ATOM 1006 N THR A 64 17.560 16.128 0.069 1.00 0.53 N ATOM 1007 CA THR A 64 17.707 15.181 1.237 1.00 0.32 C ATOM 1008 C THR A 64 16.895 13.879 1.066 1.00 0.34 C ATOM 1009 O THR A 64 16.092 13.741 0.162 1.00 0.55 O ATOM 1010 CB THR A 64 17.240 15.912 2.520 1.00 0.53 C ATOM 1011 OG1 THR A 64 18.015 17.100 2.573 1.00 1.24 O ATOM 1012 CG2 THR A 64 17.677 15.231 3.819 1.00 0.89 C ATOM 0 H THR A 64 17.280 17.072 0.334 1.00 0.53 H new ATOM 0 HA THR A 64 18.756 14.891 1.300 1.00 0.32 H new ATOM 0 HB THR A 64 16.154 15.989 2.465 1.00 0.53 H new ATOM 0 HG1 THR A 64 17.621 17.774 1.981 1.00 1.24 H new ATOM 0 HG21 THR A 64 17.311 15.804 4.671 1.00 0.89 H new ATOM 0 HG22 THR A 64 17.266 14.222 3.857 1.00 0.89 H new ATOM 0 HG23 THR A 64 18.765 15.182 3.856 1.00 0.89 H new ATOM 1020 N SER A 65 17.113 12.931 1.942 1.00 0.62 N ATOM 1021 CA SER A 65 16.360 11.634 1.867 1.00 0.89 C ATOM 1022 C SER A 65 15.230 11.857 2.892 1.00 0.79 C ATOM 1023 O SER A 65 15.474 12.025 4.076 1.00 0.83 O ATOM 1024 CB SER A 65 17.285 10.443 2.288 1.00 1.19 C ATOM 1025 OG SER A 65 18.081 10.143 1.135 1.00 1.01 O ATOM 0 H SER A 65 17.781 12.996 2.710 1.00 0.62 H new ATOM 0 HA SER A 65 15.996 11.383 0.871 1.00 0.89 H new ATOM 0 HB2 SER A 65 17.912 10.716 3.137 1.00 1.19 H new ATOM 0 HB3 SER A 65 16.695 9.578 2.592 1.00 1.19 H new ATOM 0 HG SER A 65 18.686 9.400 1.340 1.00 1.01 H new ATOM 1031 N LYS A 66 14.002 11.856 2.433 1.00 0.77 N ATOM 1032 CA LYS A 66 12.846 12.081 3.359 1.00 0.63 C ATOM 1033 C LYS A 66 12.928 11.241 4.632 1.00 0.60 C ATOM 1034 O LYS A 66 12.598 11.751 5.682 1.00 0.46 O ATOM 1035 CB LYS A 66 11.573 11.816 2.501 1.00 0.59 C ATOM 1036 CG LYS A 66 11.564 12.985 1.463 1.00 2.23 C ATOM 1037 CD LYS A 66 11.116 12.559 0.050 1.00 2.81 C ATOM 1038 CE LYS A 66 11.391 13.777 -0.848 1.00 3.40 C ATOM 1039 NZ LYS A 66 11.046 13.483 -2.283 1.00 3.35 N ATOM 0 H LYS A 66 13.749 11.709 1.456 1.00 0.77 H new ATOM 0 HA LYS A 66 12.836 13.098 3.751 1.00 0.63 H new ATOM 0 HB2 LYS A 66 11.619 10.845 2.008 1.00 0.59 H new ATOM 0 HB3 LYS A 66 10.671 11.820 3.113 1.00 0.59 H new ATOM 0 HG2 LYS A 66 10.901 13.772 1.822 1.00 2.23 H new ATOM 0 HG3 LYS A 66 12.565 13.413 1.403 1.00 2.23 H new ATOM 0 HD2 LYS A 66 11.671 11.685 -0.292 1.00 2.81 H new ATOM 0 HD3 LYS A 66 10.060 12.291 0.037 1.00 2.81 H new ATOM 0 HE2 LYS A 66 10.808 14.629 -0.498 1.00 3.40 H new ATOM 0 HE3 LYS A 66 12.442 14.057 -0.774 1.00 3.40 H new ATOM 0 HZ1 LYS A 66 11.241 14.322 -2.866 1.00 3.35 H new ATOM 0 HZ2 LYS A 66 11.620 12.685 -2.622 1.00 3.35 H new ATOM 0 HZ3 LYS A 66 10.038 13.239 -2.355 1.00 3.35 H new ATOM 1053 N GLU A 67 13.359 10.012 4.504 1.00 0.75 N ATOM 1054 CA GLU A 67 13.481 9.120 5.698 1.00 0.82 C ATOM 1055 C GLU A 67 14.530 9.662 6.683 1.00 0.71 C ATOM 1056 O GLU A 67 14.254 9.664 7.856 1.00 0.71 O ATOM 1057 CB GLU A 67 13.875 7.691 5.237 1.00 1.21 C ATOM 1058 CG GLU A 67 12.725 6.709 5.678 1.00 2.84 C ATOM 1059 CD GLU A 67 13.003 5.234 5.365 1.00 3.26 C ATOM 1060 OE1 GLU A 67 14.160 4.873 5.229 1.00 2.82 O ATOM 1061 OE2 GLU A 67 12.014 4.540 5.300 1.00 4.05 O ATOM 0 H GLU A 67 13.633 9.585 3.619 1.00 0.75 H new ATOM 0 HA GLU A 67 12.519 9.088 6.210 1.00 0.82 H new ATOM 0 HB2 GLU A 67 14.009 7.662 4.156 1.00 1.21 H new ATOM 0 HB3 GLU A 67 14.824 7.393 5.684 1.00 1.21 H new ATOM 0 HG2 GLU A 67 12.562 6.817 6.750 1.00 2.84 H new ATOM 0 HG3 GLU A 67 11.800 7.006 5.184 1.00 2.84 H new ATOM 1068 N ASP A 68 15.680 10.097 6.241 1.00 0.64 N ATOM 1069 CA ASP A 68 16.723 10.642 7.157 1.00 0.59 C ATOM 1070 C ASP A 68 16.102 11.770 7.985 1.00 0.69 C ATOM 1071 O ASP A 68 16.222 11.833 9.192 1.00 0.73 O ATOM 1072 CB ASP A 68 17.832 11.119 6.251 1.00 0.29 C ATOM 1073 CG ASP A 68 18.514 9.977 5.531 1.00 0.55 C ATOM 1074 OD1 ASP A 68 17.801 9.143 5.001 1.00 0.45 O ATOM 1075 OD2 ASP A 68 19.726 10.020 5.545 1.00 1.80 O ATOM 0 H ASP A 68 15.946 10.097 5.256 1.00 0.64 H new ATOM 0 HA ASP A 68 17.114 9.915 7.869 1.00 0.59 H new ATOM 0 HB2 ASP A 68 17.426 11.817 5.519 1.00 0.29 H new ATOM 0 HB3 ASP A 68 18.568 11.667 6.839 1.00 0.29 H new ATOM 1080 N ALA A 69 15.440 12.601 7.225 1.00 0.67 N ATOM 1081 CA ALA A 69 14.739 13.790 7.780 1.00 0.61 C ATOM 1082 C ALA A 69 13.747 13.202 8.787 1.00 0.57 C ATOM 1083 O ALA A 69 13.868 13.493 9.949 1.00 0.74 O ATOM 1084 CB ALA A 69 14.054 14.515 6.626 1.00 0.62 C ATOM 0 H ALA A 69 15.355 12.499 6.214 1.00 0.67 H new ATOM 0 HA ALA A 69 15.385 14.521 8.267 1.00 0.61 H new ATOM 0 HB1 ALA A 69 13.532 15.393 7.007 1.00 0.62 H new ATOM 0 HB2 ALA A 69 14.802 14.826 5.896 1.00 0.62 H new ATOM 0 HB3 ALA A 69 13.338 13.845 6.149 1.00 0.62 H new ATOM 1090 N MET A 70 12.799 12.408 8.359 1.00 0.41 N ATOM 1091 CA MET A 70 11.808 11.784 9.282 1.00 0.47 C ATOM 1092 C MET A 70 12.493 11.214 10.539 1.00 0.46 C ATOM 1093 O MET A 70 12.247 11.651 11.632 1.00 0.49 O ATOM 1094 CB MET A 70 11.133 10.710 8.469 1.00 0.50 C ATOM 1095 CG MET A 70 10.181 11.339 7.440 1.00 0.46 C ATOM 1096 SD MET A 70 9.468 10.254 6.179 1.00 0.44 S ATOM 1097 CE MET A 70 8.410 9.236 7.237 1.00 2.50 C ATOM 0 H MET A 70 12.669 12.160 7.378 1.00 0.41 H new ATOM 0 HA MET A 70 11.086 12.510 9.656 1.00 0.47 H new ATOM 0 HB2 MET A 70 11.883 10.105 7.959 1.00 0.50 H new ATOM 0 HB3 MET A 70 10.578 10.041 9.127 1.00 0.50 H new ATOM 0 HG2 MET A 70 9.360 11.805 7.984 1.00 0.46 H new ATOM 0 HG3 MET A 70 10.719 12.138 6.930 1.00 0.46 H new ATOM 0 HE1 MET A 70 7.885 8.501 6.627 1.00 2.50 H new ATOM 0 HE2 MET A 70 9.023 8.722 7.977 1.00 2.50 H new ATOM 0 HE3 MET A 70 7.684 9.871 7.745 1.00 2.50 H new ATOM 1107 N LYS A 71 13.338 10.245 10.320 1.00 0.47 N ATOM 1108 CA LYS A 71 14.115 9.554 11.393 1.00 0.47 C ATOM 1109 C LYS A 71 14.708 10.602 12.360 1.00 0.52 C ATOM 1110 O LYS A 71 14.357 10.669 13.523 1.00 0.55 O ATOM 1111 CB LYS A 71 15.264 8.737 10.743 1.00 0.40 C ATOM 1112 CG LYS A 71 14.784 7.488 9.960 1.00 0.46 C ATOM 1113 CD LYS A 71 16.059 6.884 9.268 1.00 0.18 C ATOM 1114 CE LYS A 71 15.860 5.505 8.605 1.00 2.49 C ATOM 1115 NZ LYS A 71 14.710 5.599 7.666 1.00 4.75 N ATOM 0 H LYS A 71 13.532 9.884 9.386 1.00 0.47 H new ATOM 0 HA LYS A 71 13.458 8.885 11.949 1.00 0.47 H new ATOM 0 HB2 LYS A 71 15.820 9.386 10.066 1.00 0.40 H new ATOM 0 HB3 LYS A 71 15.957 8.420 11.522 1.00 0.40 H new ATOM 0 HG2 LYS A 71 14.325 6.762 10.630 1.00 0.46 H new ATOM 0 HG3 LYS A 71 14.031 7.759 9.220 1.00 0.46 H new ATOM 0 HD2 LYS A 71 16.408 7.586 8.510 1.00 0.18 H new ATOM 0 HD3 LYS A 71 16.851 6.800 10.013 1.00 0.18 H new ATOM 0 HE2 LYS A 71 16.762 5.207 8.071 1.00 2.49 H new ATOM 0 HE3 LYS A 71 15.671 4.744 9.362 1.00 2.49 H new ATOM 0 HZ1 LYS A 71 13.897 5.083 8.060 1.00 4.75 H new ATOM 0 HZ2 LYS A 71 14.453 6.598 7.530 1.00 4.75 H new ATOM 0 HZ3 LYS A 71 14.974 5.182 6.751 1.00 4.75 H new ATOM 1129 N ALA A 72 15.592 11.404 11.823 1.00 0.55 N ATOM 1130 CA ALA A 72 16.268 12.472 12.597 1.00 0.61 C ATOM 1131 C ALA A 72 15.258 13.396 13.300 1.00 0.46 C ATOM 1132 O ALA A 72 15.426 13.767 14.441 1.00 0.43 O ATOM 1133 CB ALA A 72 17.157 13.232 11.594 1.00 0.82 C ATOM 0 H ALA A 72 15.878 11.355 10.845 1.00 0.55 H new ATOM 0 HA ALA A 72 16.870 12.052 13.403 1.00 0.61 H new ATOM 0 HB1 ALA A 72 17.683 14.035 12.110 1.00 0.82 H new ATOM 0 HB2 ALA A 72 17.882 12.545 11.157 1.00 0.82 H new ATOM 0 HB3 ALA A 72 16.536 13.654 10.804 1.00 0.82 H new ATOM 1139 N TYR A 73 14.214 13.730 12.597 1.00 0.47 N ATOM 1140 CA TYR A 73 13.146 14.623 13.124 1.00 0.37 C ATOM 1141 C TYR A 73 12.473 13.964 14.331 1.00 0.29 C ATOM 1142 O TYR A 73 12.344 14.543 15.385 1.00 0.28 O ATOM 1143 CB TYR A 73 12.190 14.853 11.939 1.00 0.40 C ATOM 1144 CG TYR A 73 11.010 15.727 12.314 1.00 0.39 C ATOM 1145 CD1 TYR A 73 9.977 15.252 13.095 1.00 2.22 C ATOM 1146 CD2 TYR A 73 10.979 17.022 11.864 1.00 2.56 C ATOM 1147 CE1 TYR A 73 8.927 16.084 13.416 1.00 2.20 C ATOM 1148 CE2 TYR A 73 9.934 17.841 12.188 1.00 2.56 C ATOM 1149 CZ TYR A 73 8.908 17.372 12.966 1.00 0.36 C ATOM 1150 OH TYR A 73 7.859 18.176 13.332 1.00 0.34 O ATOM 0 H TYR A 73 14.052 13.408 11.643 1.00 0.47 H new ATOM 0 HA TYR A 73 13.519 15.580 13.488 1.00 0.37 H new ATOM 0 HB2 TYR A 73 12.737 15.317 11.118 1.00 0.40 H new ATOM 0 HB3 TYR A 73 11.827 13.892 11.576 1.00 0.40 H new ATOM 0 HD1 TYR A 73 9.991 14.233 13.453 1.00 2.22 H new ATOM 0 HD2 TYR A 73 11.785 17.397 11.250 1.00 2.56 H new ATOM 0 HE1 TYR A 73 8.116 15.715 14.026 1.00 2.20 H new ATOM 0 HE2 TYR A 73 9.917 18.860 11.830 1.00 2.56 H new ATOM 0 HH TYR A 73 7.694 18.839 12.629 1.00 0.34 H new ATOM 1160 N ILE A 74 12.072 12.750 14.127 1.00 0.32 N ATOM 1161 CA ILE A 74 11.392 11.951 15.186 1.00 0.40 C ATOM 1162 C ILE A 74 12.283 11.848 16.406 1.00 0.39 C ATOM 1163 O ILE A 74 11.849 12.203 17.480 1.00 0.41 O ATOM 1164 CB ILE A 74 11.095 10.572 14.637 1.00 0.55 C ATOM 1165 CG1 ILE A 74 10.088 10.701 13.492 1.00 0.44 C ATOM 1166 CG2 ILE A 74 10.437 9.749 15.772 1.00 0.96 C ATOM 1167 CD1 ILE A 74 10.168 9.419 12.661 1.00 0.44 C ATOM 0 H ILE A 74 12.189 12.257 13.242 1.00 0.32 H new ATOM 0 HA ILE A 74 10.461 12.437 15.479 1.00 0.40 H new ATOM 0 HB ILE A 74 12.007 10.095 14.280 1.00 0.55 H new ATOM 0 HG12 ILE A 74 9.080 10.842 13.882 1.00 0.44 H new ATOM 0 HG13 ILE A 74 10.317 11.571 12.877 1.00 0.44 H new ATOM 0 HG21 ILE A 74 10.209 8.747 15.410 1.00 0.96 H new ATOM 0 HG22 ILE A 74 11.122 9.682 16.617 1.00 0.96 H new ATOM 0 HG23 ILE A 74 9.516 10.238 16.089 1.00 0.96 H new ATOM 0 HD11 ILE A 74 9.461 9.477 11.833 1.00 0.44 H new ATOM 0 HD12 ILE A 74 11.178 9.303 12.268 1.00 0.44 H new ATOM 0 HD13 ILE A 74 9.922 8.563 13.289 1.00 0.44 H new ATOM 1179 N ASP A 75 13.487 11.381 16.211 1.00 0.45 N ATOM 1180 CA ASP A 75 14.419 11.250 17.345 1.00 0.61 C ATOM 1181 C ASP A 75 14.615 12.641 17.950 1.00 0.42 C ATOM 1182 O ASP A 75 14.662 12.832 19.146 1.00 0.36 O ATOM 1183 CB ASP A 75 15.667 10.614 16.733 1.00 0.86 C ATOM 1184 CG ASP A 75 15.459 9.111 16.538 1.00 1.22 C ATOM 1185 OD1 ASP A 75 14.326 8.727 16.291 1.00 2.56 O ATOM 1186 OD2 ASP A 75 16.460 8.423 16.641 1.00 0.39 O ATOM 0 H ASP A 75 13.858 11.086 15.308 1.00 0.45 H new ATOM 0 HA ASP A 75 14.085 10.626 18.174 1.00 0.61 H new ATOM 0 HB2 ASP A 75 15.890 11.084 15.775 1.00 0.86 H new ATOM 0 HB3 ASP A 75 16.526 10.788 17.381 1.00 0.86 H new ATOM 1191 N LYS A 76 14.722 13.614 17.080 1.00 0.45 N ATOM 1192 CA LYS A 76 14.909 15.011 17.570 1.00 0.35 C ATOM 1193 C LYS A 76 13.742 15.305 18.522 1.00 0.40 C ATOM 1194 O LYS A 76 13.948 15.715 19.653 1.00 0.44 O ATOM 1195 CB LYS A 76 14.866 16.030 16.421 1.00 0.52 C ATOM 1196 CG LYS A 76 15.587 17.306 16.926 1.00 1.30 C ATOM 1197 CD LYS A 76 17.121 17.145 16.638 1.00 1.26 C ATOM 1198 CE LYS A 76 17.993 18.084 17.488 1.00 0.74 C ATOM 1199 NZ LYS A 76 17.876 17.664 18.908 1.00 3.38 N ATOM 0 H LYS A 76 14.688 13.503 16.067 1.00 0.45 H new ATOM 0 HA LYS A 76 15.881 15.098 18.055 1.00 0.35 H new ATOM 0 HB2 LYS A 76 15.359 15.633 15.534 1.00 0.52 H new ATOM 0 HB3 LYS A 76 13.837 16.253 16.141 1.00 0.52 H new ATOM 0 HG2 LYS A 76 15.196 18.189 16.421 1.00 1.30 H new ATOM 0 HG3 LYS A 76 15.412 17.445 17.993 1.00 1.30 H new ATOM 0 HD2 LYS A 76 17.415 16.113 16.829 1.00 1.26 H new ATOM 0 HD3 LYS A 76 17.309 17.340 15.582 1.00 1.26 H new ATOM 0 HE2 LYS A 76 19.032 18.037 17.162 1.00 0.74 H new ATOM 0 HE3 LYS A 76 17.667 19.117 17.369 1.00 0.74 H new ATOM 0 HZ1 LYS A 76 17.606 18.482 19.491 1.00 3.38 H new ATOM 0 HZ2 LYS A 76 17.150 16.924 18.992 1.00 3.38 H new ATOM 0 HZ3 LYS A 76 18.790 17.291 19.236 1.00 3.38 H new ATOM 1213 N VAL A 77 12.525 15.095 18.069 1.00 0.47 N ATOM 1214 CA VAL A 77 11.390 15.373 18.986 1.00 0.60 C ATOM 1215 C VAL A 77 11.641 14.494 20.217 1.00 0.60 C ATOM 1216 O VAL A 77 11.479 14.991 21.304 1.00 0.72 O ATOM 1217 CB VAL A 77 10.076 15.042 18.245 1.00 0.75 C ATOM 1218 CG1 VAL A 77 8.893 15.241 19.229 1.00 0.83 C ATOM 1219 CG2 VAL A 77 9.941 16.088 17.086 1.00 0.71 C ATOM 0 H VAL A 77 12.282 14.756 17.138 1.00 0.47 H new ATOM 0 HA VAL A 77 11.308 16.414 19.300 1.00 0.60 H new ATOM 0 HB VAL A 77 10.074 14.020 17.866 1.00 0.75 H new ATOM 0 HG11 VAL A 77 7.956 15.011 18.722 1.00 0.83 H new ATOM 0 HG12 VAL A 77 9.015 14.576 20.084 1.00 0.83 H new ATOM 0 HG13 VAL A 77 8.876 16.275 19.573 1.00 0.83 H new ATOM 0 HG21 VAL A 77 9.024 15.897 16.529 1.00 0.71 H new ATOM 0 HG22 VAL A 77 9.908 17.094 17.505 1.00 0.71 H new ATOM 0 HG23 VAL A 77 10.797 16.002 16.417 1.00 0.71 H new ATOM 1229 N GLU A 78 12.009 13.242 20.100 1.00 0.60 N ATOM 1230 CA GLU A 78 12.259 12.459 21.366 1.00 0.74 C ATOM 1231 C GLU A 78 13.271 13.261 22.262 1.00 0.65 C ATOM 1232 O GLU A 78 13.032 13.403 23.452 1.00 0.71 O ATOM 1233 CB GLU A 78 12.813 11.046 20.995 1.00 0.80 C ATOM 1234 CG GLU A 78 11.606 10.061 20.741 1.00 1.24 C ATOM 1235 CD GLU A 78 10.673 10.009 21.945 1.00 1.92 C ATOM 1236 OE1 GLU A 78 11.161 9.657 23.007 1.00 2.62 O ATOM 1237 OE2 GLU A 78 9.519 10.336 21.743 1.00 3.99 O ATOM 0 H GLU A 78 12.145 12.738 19.224 1.00 0.60 H new ATOM 0 HA GLU A 78 11.335 12.321 21.927 1.00 0.74 H new ATOM 0 HB2 GLU A 78 13.438 11.110 20.104 1.00 0.80 H new ATOM 0 HB3 GLU A 78 13.443 10.667 21.800 1.00 0.80 H new ATOM 0 HG2 GLU A 78 11.050 10.383 19.861 1.00 1.24 H new ATOM 0 HG3 GLU A 78 11.987 9.062 20.530 1.00 1.24 H new ATOM 1244 N GLU A 79 14.351 13.789 21.719 1.00 0.56 N ATOM 1245 CA GLU A 79 15.333 14.578 22.561 1.00 0.54 C ATOM 1246 C GLU A 79 14.493 15.632 23.310 1.00 0.56 C ATOM 1247 O GLU A 79 14.501 15.749 24.523 1.00 0.69 O ATOM 1248 CB GLU A 79 16.387 15.342 21.673 1.00 0.62 C ATOM 1249 CG GLU A 79 17.406 14.389 20.969 1.00 0.87 C ATOM 1250 CD GLU A 79 18.299 15.168 20.000 1.00 1.10 C ATOM 1251 OE1 GLU A 79 19.176 15.866 20.470 1.00 1.41 O ATOM 1252 OE2 GLU A 79 18.068 15.072 18.807 1.00 2.48 O ATOM 0 H GLU A 79 14.598 13.710 20.733 1.00 0.56 H new ATOM 0 HA GLU A 79 15.879 13.903 23.221 1.00 0.54 H new ATOM 0 HB2 GLU A 79 15.861 15.924 20.916 1.00 0.62 H new ATOM 0 HB3 GLU A 79 16.933 16.050 22.297 1.00 0.62 H new ATOM 0 HG2 GLU A 79 18.022 13.891 21.718 1.00 0.87 H new ATOM 0 HG3 GLU A 79 16.868 13.610 20.429 1.00 0.87 H new ATOM 1259 N LEU A 80 13.760 16.379 22.530 1.00 0.46 N ATOM 1260 CA LEU A 80 12.886 17.452 23.092 1.00 0.50 C ATOM 1261 C LEU A 80 11.771 16.921 23.996 1.00 0.41 C ATOM 1262 O LEU A 80 11.288 17.591 24.885 1.00 0.72 O ATOM 1263 CB LEU A 80 12.284 18.247 21.917 1.00 0.51 C ATOM 1264 CG LEU A 80 13.361 18.715 20.943 1.00 0.84 C ATOM 1265 CD1 LEU A 80 12.673 19.612 19.918 1.00 1.07 C ATOM 1266 CD2 LEU A 80 14.466 19.498 21.671 1.00 1.23 C ATOM 0 H LEU A 80 13.728 16.291 21.514 1.00 0.46 H new ATOM 0 HA LEU A 80 13.504 18.088 23.726 1.00 0.50 H new ATOM 0 HB2 LEU A 80 11.561 17.625 21.389 1.00 0.51 H new ATOM 0 HB3 LEU A 80 11.741 19.110 22.302 1.00 0.51 H new ATOM 0 HG LEU A 80 13.836 17.858 20.466 1.00 0.84 H new ATOM 0 HD11 LEU A 80 13.408 19.972 19.198 1.00 1.07 H new ATOM 0 HD12 LEU A 80 11.902 19.044 19.397 1.00 1.07 H new ATOM 0 HD13 LEU A 80 12.217 20.462 20.426 1.00 1.07 H new ATOM 0 HD21 LEU A 80 15.219 19.819 20.951 1.00 1.23 H new ATOM 0 HD22 LEU A 80 14.033 20.372 22.157 1.00 1.23 H new ATOM 0 HD23 LEU A 80 14.930 18.859 22.422 1.00 1.23 H new ATOM 1278 N LYS A 81 11.375 15.714 23.794 1.00 0.64 N ATOM 1279 CA LYS A 81 10.294 15.156 24.634 1.00 0.58 C ATOM 1280 C LYS A 81 10.894 15.045 26.030 1.00 0.39 C ATOM 1281 O LYS A 81 10.278 15.463 26.992 1.00 0.36 O ATOM 1282 CB LYS A 81 9.901 13.805 24.045 1.00 0.93 C ATOM 1283 CG LYS A 81 8.606 13.358 24.741 1.00 0.44 C ATOM 1284 CD LYS A 81 8.193 11.966 24.192 1.00 1.41 C ATOM 1285 CE LYS A 81 6.767 11.603 24.633 1.00 2.09 C ATOM 1286 NZ LYS A 81 6.673 11.738 26.130 1.00 3.86 N ATOM 0 H LYS A 81 11.750 15.084 23.084 1.00 0.64 H new ATOM 0 HA LYS A 81 9.389 15.762 24.674 1.00 0.58 H new ATOM 0 HB2 LYS A 81 9.750 13.885 22.969 1.00 0.93 H new ATOM 0 HB3 LYS A 81 10.693 13.073 24.202 1.00 0.93 H new ATOM 0 HG2 LYS A 81 8.756 13.308 25.819 1.00 0.44 H new ATOM 0 HG3 LYS A 81 7.813 14.084 24.563 1.00 0.44 H new ATOM 0 HD2 LYS A 81 8.252 11.968 23.104 1.00 1.41 H new ATOM 0 HD3 LYS A 81 8.892 11.209 24.548 1.00 1.41 H new ATOM 0 HE2 LYS A 81 6.044 12.259 24.149 1.00 2.09 H new ATOM 0 HE3 LYS A 81 6.526 10.584 24.330 1.00 2.09 H new ATOM 0 HZ1 LYS A 81 5.804 11.276 26.466 1.00 3.86 H new ATOM 0 HZ2 LYS A 81 7.499 11.286 26.572 1.00 3.86 H new ATOM 0 HZ3 LYS A 81 6.651 12.746 26.387 1.00 3.86 H new ATOM 1300 N LYS A 82 12.087 14.508 26.062 1.00 0.49 N ATOM 1301 CA LYS A 82 12.815 14.326 27.356 1.00 0.59 C ATOM 1302 C LYS A 82 13.239 15.699 27.933 1.00 0.48 C ATOM 1303 O LYS A 82 12.897 16.037 29.047 1.00 0.54 O ATOM 1304 CB LYS A 82 14.068 13.451 27.104 1.00 0.78 C ATOM 1305 CG LYS A 82 13.724 12.061 26.529 1.00 0.16 C ATOM 1306 CD LYS A 82 12.831 11.265 27.537 1.00 2.26 C ATOM 1307 CE LYS A 82 12.761 9.789 27.138 1.00 1.52 C ATOM 1308 NZ LYS A 82 14.114 9.181 27.357 1.00 3.72 N ATOM 0 H LYS A 82 12.594 14.184 25.238 1.00 0.49 H new ATOM 0 HA LYS A 82 12.159 13.838 28.077 1.00 0.59 H new ATOM 0 HB2 LYS A 82 14.734 13.969 26.414 1.00 0.78 H new ATOM 0 HB3 LYS A 82 14.612 13.327 28.040 1.00 0.78 H new ATOM 0 HG2 LYS A 82 13.202 12.172 25.578 1.00 0.16 H new ATOM 0 HG3 LYS A 82 14.640 11.506 26.327 1.00 0.16 H new ATOM 0 HD2 LYS A 82 13.238 11.357 28.544 1.00 2.26 H new ATOM 0 HD3 LYS A 82 11.828 11.690 27.558 1.00 2.26 H new ATOM 0 HE2 LYS A 82 12.010 9.269 27.733 1.00 1.52 H new ATOM 0 HE3 LYS A 82 12.464 9.691 26.094 1.00 1.52 H new ATOM 0 HZ1 LYS A 82 14.014 8.157 27.509 1.00 3.72 H new ATOM 0 HZ2 LYS A 82 14.710 9.351 26.522 1.00 3.72 H new ATOM 0 HZ3 LYS A 82 14.558 9.613 28.192 1.00 3.72 H new ATOM 1322 N LYS A 83 13.958 16.438 27.142 1.00 0.43 N ATOM 1323 CA LYS A 83 14.468 17.788 27.530 1.00 0.42 C ATOM 1324 C LYS A 83 13.389 18.808 27.883 1.00 0.32 C ATOM 1325 O LYS A 83 13.500 19.573 28.822 1.00 0.71 O ATOM 1326 CB LYS A 83 15.284 18.335 26.373 1.00 0.65 C ATOM 1327 CG LYS A 83 16.237 19.435 26.906 1.00 1.06 C ATOM 1328 CD LYS A 83 16.678 20.323 25.718 1.00 1.39 C ATOM 1329 CE LYS A 83 17.255 21.661 26.198 1.00 1.77 C ATOM 1330 NZ LYS A 83 16.214 22.361 27.019 1.00 3.93 N ATOM 0 H LYS A 83 14.227 16.152 26.200 1.00 0.43 H new ATOM 0 HA LYS A 83 15.054 17.644 28.438 1.00 0.42 H new ATOM 0 HB2 LYS A 83 15.857 17.535 25.904 1.00 0.65 H new ATOM 0 HB3 LYS A 83 14.625 18.746 25.608 1.00 0.65 H new ATOM 0 HG2 LYS A 83 15.734 20.037 27.662 1.00 1.06 H new ATOM 0 HG3 LYS A 83 17.106 18.983 27.384 1.00 1.06 H new ATOM 0 HD2 LYS A 83 17.426 19.795 25.126 1.00 1.39 H new ATOM 0 HD3 LYS A 83 15.825 20.507 25.064 1.00 1.39 H new ATOM 0 HE2 LYS A 83 18.155 21.495 26.790 1.00 1.77 H new ATOM 0 HE3 LYS A 83 17.543 22.277 25.346 1.00 1.77 H new ATOM 0 HZ1 LYS A 83 15.960 23.261 26.563 1.00 3.93 H new ATOM 0 HZ2 LYS A 83 15.369 21.760 27.094 1.00 3.93 H new ATOM 0 HZ3 LYS A 83 16.590 22.549 27.970 1.00 3.93 H new ATOM 1344 N TYR A 84 12.388 18.771 27.062 1.00 0.23 N ATOM 1345 CA TYR A 84 11.205 19.688 27.202 1.00 0.70 C ATOM 1346 C TYR A 84 9.843 19.148 27.642 1.00 1.52 C ATOM 1347 O TYR A 84 9.200 19.799 28.437 1.00 2.34 O ATOM 1348 CB TYR A 84 11.008 20.415 25.851 1.00 1.11 C ATOM 1349 CG TYR A 84 12.117 21.431 25.694 1.00 1.03 C ATOM 1350 CD1 TYR A 84 12.137 22.505 26.547 1.00 2.82 C ATOM 1351 CD2 TYR A 84 13.089 21.294 24.730 1.00 2.27 C ATOM 1352 CE1 TYR A 84 13.125 23.444 26.440 1.00 3.49 C ATOM 1353 CE2 TYR A 84 14.082 22.239 24.623 1.00 2.08 C ATOM 1354 CZ TYR A 84 14.092 23.315 25.486 1.00 2.14 C ATOM 1355 OH TYR A 84 15.069 24.281 25.429 1.00 2.89 O ATOM 0 H TYR A 84 12.327 18.128 26.272 1.00 0.23 H new ATOM 0 HA TYR A 84 11.494 20.305 28.052 1.00 0.70 H new ATOM 0 HB2 TYR A 84 11.028 19.700 25.028 1.00 1.11 H new ATOM 0 HB3 TYR A 84 10.036 20.906 25.822 1.00 1.11 H new ATOM 0 HD1 TYR A 84 11.373 22.609 27.303 1.00 2.82 H new ATOM 0 HD2 TYR A 84 13.072 20.447 24.060 1.00 2.27 H new ATOM 0 HE1 TYR A 84 13.140 24.289 27.112 1.00 3.49 H new ATOM 0 HE2 TYR A 84 14.849 22.140 23.869 1.00 2.08 H new ATOM 0 HH TYR A 84 15.696 24.070 24.706 1.00 2.89 H new