USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 658 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 MET CE :methyl -154:sc= 0 (180deg=-0.714) USER MOD Set 1.2: A 50 GLN : amide:sc= -0.0292 X(o=-0.029,f=-0.34) USER MOD Set 1.3: A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 69 SER OG : rot -105:sc= 1.78 USER MOD Set 2.2: A 71 THR OG1 : rot -69:sc= -0.402 USER MOD Set 3.1: A 60 MET CE :methyl 170:sc= -1.08 (180deg=-1.11) USER MOD Set 3.2: A 84 SER OG : rot 92:sc= -0.282 USER MOD Set 4.1: A 13 THR OG1 : rot 100:sc= -0.437! USER MOD Set 4.2: A 16 GLN : amide:sc= -0.0831 X(o=-0.52,f=-0.97) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -1.4 K(o=-1.4,f=-2.3!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.0336 X(o=0.034,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -162:sc= -0.427 (180deg=-0.898) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 170:sc= -0.743 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -122:sc= -3.45 (180deg=-10.6!) USER MOD Single : A 51 ASN : amide:sc= -0.251 K(o=-0.25,f=-0.84) USER MOD Single : A 53 THR OG1 : rot 135:sc= 0.422 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.12 F(o=-0.99,f=-0.12) USER MOD Single : A 81 MET CE :methyl -131:sc= -2.47! (180deg=-5.69!) USER MOD Single : A 85 MET CE :methyl -162:sc= -0.689 (180deg=-1.59!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 64:sc= -0.533 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 73.230 20.651 2.687 1.00 4.98 N ATOM 2 CA ALA A 2 71.900 20.015 2.918 1.00 4.92 C ATOM 3 C ALA A 2 71.694 18.856 1.940 1.00 4.09 C ATOM 4 O ALA A 2 72.244 18.839 0.855 1.00 4.52 O ATOM 5 CB ALA A 2 70.882 21.125 2.657 1.00 5.75 C ATOM 0 HA ALA A 2 71.806 19.603 3.923 1.00 4.92 H new ATOM 0 HB1 ALA A 2 69.874 20.737 2.806 1.00 5.75 H new ATOM 0 HB2 ALA A 2 71.059 21.950 3.347 1.00 5.75 H new ATOM 0 HB3 ALA A 2 70.986 21.480 1.632 1.00 5.75 H new ATOM 13 N ASP A 3 70.904 17.884 2.313 1.00 3.31 N ATOM 14 CA ASP A 3 70.664 16.728 1.403 1.00 2.98 C ATOM 15 C ASP A 3 71.996 16.087 0.999 1.00 2.31 C ATOM 16 O ASP A 3 72.724 16.612 0.180 1.00 2.93 O ATOM 17 CB ASP A 3 69.963 17.322 0.180 1.00 3.17 C ATOM 18 CG ASP A 3 68.489 17.566 0.506 1.00 3.95 C ATOM 19 OD1 ASP A 3 67.832 16.629 0.928 1.00 4.32 O ATOM 20 OD2 ASP A 3 68.041 18.687 0.327 1.00 4.60 O ATOM 0 H ASP A 3 70.416 17.841 3.207 1.00 3.31 H new ATOM 0 HA ASP A 3 70.066 15.949 1.876 1.00 2.98 H new ATOM 0 HB2 ASP A 3 70.442 18.257 -0.109 1.00 3.17 H new ATOM 0 HB3 ASP A 3 70.051 16.643 -0.668 1.00 3.17 H new ATOM 25 N ILE A 4 72.318 14.957 1.566 1.00 1.43 N ATOM 26 CA ILE A 4 73.601 14.286 1.213 1.00 1.28 C ATOM 27 C ILE A 4 73.324 12.954 0.510 1.00 1.13 C ATOM 28 O ILE A 4 73.900 12.650 -0.516 1.00 1.61 O ATOM 29 CB ILE A 4 74.307 14.051 2.549 1.00 1.66 C ATOM 30 CG1 ILE A 4 74.381 15.368 3.322 1.00 2.36 C ATOM 31 CG2 ILE A 4 75.723 13.529 2.294 1.00 1.86 C ATOM 32 CD1 ILE A 4 74.585 15.078 4.810 1.00 2.80 C ATOM 0 H ILE A 4 71.749 14.470 2.258 1.00 1.43 H new ATOM 0 HA ILE A 4 74.207 14.885 0.533 1.00 1.28 H new ATOM 0 HB ILE A 4 73.750 13.317 3.131 1.00 1.66 H new ATOM 0 HG12 ILE A 4 75.202 15.978 2.944 1.00 2.36 H new ATOM 0 HG13 ILE A 4 73.465 15.940 3.175 1.00 2.36 H new ATOM 0 HG21 ILE A 4 76.226 13.362 3.246 1.00 1.86 H new ATOM 0 HG22 ILE A 4 75.671 12.591 1.741 1.00 1.86 H new ATOM 0 HG23 ILE A 4 76.282 14.262 1.712 1.00 1.86 H new ATOM 0 HD11 ILE A 4 74.638 16.018 5.360 1.00 2.80 H new ATOM 0 HD12 ILE A 4 73.750 14.485 5.183 1.00 2.80 H new ATOM 0 HD13 ILE A 4 75.513 14.524 4.949 1.00 2.80 H new ATOM 44 N TYR A 5 72.443 12.158 1.052 1.00 0.88 N ATOM 45 CA TYR A 5 72.129 10.848 0.411 1.00 0.86 C ATOM 46 C TYR A 5 71.137 11.054 -0.736 1.00 0.78 C ATOM 47 O TYR A 5 71.185 10.372 -1.740 1.00 0.79 O ATOM 48 CB TYR A 5 71.500 9.998 1.518 1.00 1.02 C ATOM 49 CG TYR A 5 72.280 10.171 2.800 1.00 1.22 C ATOM 50 CD1 TYR A 5 73.558 9.615 2.924 1.00 1.64 C ATOM 51 CD2 TYR A 5 71.723 10.890 3.865 1.00 1.94 C ATOM 52 CE1 TYR A 5 74.281 9.778 4.112 1.00 1.80 C ATOM 53 CE2 TYR A 5 72.445 11.053 5.053 1.00 2.20 C ATOM 54 CZ TYR A 5 73.724 10.497 5.177 1.00 1.77 C ATOM 55 OH TYR A 5 74.434 10.658 6.349 1.00 2.07 O ATOM 0 H TYR A 5 71.928 12.357 1.909 1.00 0.88 H new ATOM 0 HA TYR A 5 73.014 10.371 -0.010 1.00 0.86 H new ATOM 0 HB2 TYR A 5 70.462 10.293 1.670 1.00 1.02 H new ATOM 0 HB3 TYR A 5 71.493 8.948 1.224 1.00 1.02 H new ATOM 0 HD1 TYR A 5 73.987 9.060 2.103 1.00 1.64 H new ATOM 0 HD2 TYR A 5 70.736 11.319 3.770 1.00 1.94 H new ATOM 0 HE1 TYR A 5 75.268 9.349 4.207 1.00 1.80 H new ATOM 0 HE2 TYR A 5 72.015 11.608 5.874 1.00 2.20 H new ATOM 0 HH TYR A 5 73.903 11.183 6.984 1.00 2.07 H new ATOM 65 N LYS A 6 70.241 11.992 -0.595 1.00 0.89 N ATOM 66 CA LYS A 6 69.249 12.245 -1.680 1.00 1.01 C ATOM 67 C LYS A 6 69.965 12.731 -2.941 1.00 0.98 C ATOM 68 O LYS A 6 69.709 12.262 -4.032 1.00 1.00 O ATOM 69 CB LYS A 6 68.329 13.334 -1.128 1.00 1.28 C ATOM 70 CG LYS A 6 67.084 13.449 -2.011 1.00 1.60 C ATOM 71 CD LYS A 6 67.298 14.549 -3.053 1.00 2.04 C ATOM 72 CE LYS A 6 66.925 15.907 -2.449 1.00 2.60 C ATOM 73 NZ LYS A 6 66.414 16.720 -3.590 1.00 3.24 N ATOM 0 H LYS A 6 70.152 12.594 0.224 1.00 0.89 H new ATOM 0 HA LYS A 6 68.695 11.348 -1.955 1.00 1.01 H new ATOM 0 HB2 LYS A 6 68.041 13.096 -0.104 1.00 1.28 H new ATOM 0 HB3 LYS A 6 68.855 14.288 -1.098 1.00 1.28 H new ATOM 0 HG2 LYS A 6 66.887 12.498 -2.506 1.00 1.60 H new ATOM 0 HG3 LYS A 6 66.211 13.677 -1.399 1.00 1.60 H new ATOM 0 HD2 LYS A 6 68.338 14.558 -3.379 1.00 2.04 H new ATOM 0 HD3 LYS A 6 66.689 14.352 -3.935 1.00 2.04 H new ATOM 0 HE2 LYS A 6 66.167 15.797 -1.674 1.00 2.60 H new ATOM 0 HE3 LYS A 6 67.789 16.381 -1.984 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 66.140 17.663 -3.249 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 67.159 16.815 -4.310 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 65.586 16.249 -4.008 1.00 3.24 H new ATOM 87 N ALA A 7 70.866 13.666 -2.800 1.00 1.07 N ATOM 88 CA ALA A 7 71.600 14.177 -3.992 1.00 1.20 C ATOM 89 C ALA A 7 72.269 13.016 -4.729 1.00 1.08 C ATOM 90 O ALA A 7 72.358 13.003 -5.941 1.00 1.19 O ATOM 91 CB ALA A 7 72.653 15.135 -3.430 1.00 1.36 C ATOM 0 H ALA A 7 71.125 14.097 -1.912 1.00 1.07 H new ATOM 0 HA ALA A 7 70.941 14.673 -4.705 1.00 1.20 H new ATOM 0 HB1 ALA A 7 73.237 15.555 -4.249 1.00 1.36 H new ATOM 0 HB2 ALA A 7 72.159 15.941 -2.887 1.00 1.36 H new ATOM 0 HB3 ALA A 7 73.314 14.593 -2.753 1.00 1.36 H new ATOM 97 N ALA A 8 72.737 12.035 -4.005 1.00 0.95 N ATOM 98 CA ALA A 8 73.395 10.871 -4.661 1.00 0.96 C ATOM 99 C ALA A 8 72.339 9.955 -5.283 1.00 0.90 C ATOM 100 O ALA A 8 72.419 9.593 -6.440 1.00 1.01 O ATOM 101 CB ALA A 8 74.138 10.150 -3.536 1.00 0.98 C ATOM 0 H ALA A 8 72.691 11.990 -2.987 1.00 0.95 H new ATOM 0 HA ALA A 8 74.068 11.172 -5.463 1.00 0.96 H new ATOM 0 HB1 ALA A 8 74.651 9.277 -3.940 1.00 0.98 H new ATOM 0 HB2 ALA A 8 74.868 10.826 -3.090 1.00 0.98 H new ATOM 0 HB3 ALA A 8 73.426 9.832 -2.775 1.00 0.98 H new ATOM 107 N VAL A 9 71.345 9.580 -4.524 1.00 0.83 N ATOM 108 CA VAL A 9 70.283 8.690 -5.074 1.00 0.82 C ATOM 109 C VAL A 9 69.723 9.285 -6.369 1.00 0.97 C ATOM 110 O VAL A 9 69.219 8.580 -7.221 1.00 1.02 O ATOM 111 CB VAL A 9 69.205 8.643 -3.991 1.00 0.84 C ATOM 112 CG1 VAL A 9 67.902 8.103 -4.586 1.00 1.05 C ATOM 113 CG2 VAL A 9 69.664 7.727 -2.855 1.00 0.70 C ATOM 0 H VAL A 9 71.223 9.851 -3.548 1.00 0.83 H new ATOM 0 HA VAL A 9 70.657 7.695 -5.315 1.00 0.82 H new ATOM 0 HB VAL A 9 69.037 9.648 -3.604 1.00 0.84 H new ATOM 0 HG11 VAL A 9 67.135 8.070 -3.812 1.00 1.05 H new ATOM 0 HG12 VAL A 9 67.574 8.755 -5.395 1.00 1.05 H new ATOM 0 HG13 VAL A 9 68.068 7.098 -4.975 1.00 1.05 H new ATOM 0 HG21 VAL A 9 68.896 7.693 -2.082 1.00 0.70 H new ATOM 0 HG22 VAL A 9 69.833 6.723 -3.243 1.00 0.70 H new ATOM 0 HG23 VAL A 9 70.590 8.112 -2.429 1.00 0.70 H new ATOM 123 N GLU A 10 69.812 10.578 -6.525 1.00 1.12 N ATOM 124 CA GLU A 10 69.289 11.219 -7.765 1.00 1.32 C ATOM 125 C GLU A 10 70.320 11.100 -8.890 1.00 1.37 C ATOM 126 O GLU A 10 69.980 10.891 -10.038 1.00 1.56 O ATOM 127 CB GLU A 10 69.072 12.686 -7.392 1.00 1.51 C ATOM 128 CG GLU A 10 67.789 12.821 -6.570 1.00 1.80 C ATOM 129 CD GLU A 10 67.515 14.299 -6.293 1.00 2.02 C ATOM 130 OE1 GLU A 10 68.462 15.014 -6.009 1.00 2.28 O ATOM 131 OE2 GLU A 10 66.363 14.693 -6.370 1.00 2.61 O ATOM 0 H GLU A 10 70.225 11.218 -5.847 1.00 1.12 H new ATOM 0 HA GLU A 10 68.371 10.749 -8.119 1.00 1.32 H new ATOM 0 HB2 GLU A 10 69.923 13.056 -6.820 1.00 1.51 H new ATOM 0 HB3 GLU A 10 69.004 13.295 -8.293 1.00 1.51 H new ATOM 0 HG2 GLU A 10 66.951 12.379 -7.109 1.00 1.80 H new ATOM 0 HG3 GLU A 10 67.887 12.276 -5.631 1.00 1.80 H new ATOM 138 N GLN A 11 71.577 11.227 -8.567 1.00 1.29 N ATOM 139 CA GLN A 11 72.632 11.118 -9.616 1.00 1.45 C ATOM 140 C GLN A 11 73.011 9.650 -9.827 1.00 1.35 C ATOM 141 O GLN A 11 73.911 9.332 -10.578 1.00 1.53 O ATOM 142 CB GLN A 11 73.822 11.906 -9.066 1.00 1.61 C ATOM 143 CG GLN A 11 73.633 13.394 -9.368 1.00 2.13 C ATOM 144 CD GLN A 11 73.763 14.198 -8.073 1.00 2.44 C ATOM 145 OE1 GLN A 11 72.811 14.808 -7.627 1.00 2.96 O ATOM 146 NE2 GLN A 11 74.908 14.227 -7.448 1.00 2.71 N ATOM 0 H GLN A 11 71.920 11.402 -7.623 1.00 1.29 H new ATOM 0 HA GLN A 11 72.300 11.504 -10.580 1.00 1.45 H new ATOM 0 HB2 GLN A 11 73.909 11.751 -7.991 1.00 1.61 H new ATOM 0 HB3 GLN A 11 74.748 11.548 -9.516 1.00 1.61 H new ATOM 0 HG2 GLN A 11 74.378 13.727 -10.091 1.00 2.13 H new ATOM 0 HG3 GLN A 11 72.654 13.563 -9.817 1.00 2.13 H new ATOM 0 HE21 GLN A 11 75.707 13.715 -7.823 1.00 2.71 H new ATOM 0 HE22 GLN A 11 75.004 14.762 -6.585 1.00 2.71 H new ATOM 155 N LEU A 12 72.329 8.752 -9.168 1.00 1.18 N ATOM 156 CA LEU A 12 72.647 7.305 -9.330 1.00 1.21 C ATOM 157 C LEU A 12 72.820 6.965 -10.812 1.00 1.11 C ATOM 158 O LEU A 12 72.421 7.712 -11.682 1.00 1.25 O ATOM 159 CB LEU A 12 71.439 6.569 -8.750 1.00 1.32 C ATOM 160 CG LEU A 12 71.800 5.977 -7.387 1.00 1.38 C ATOM 161 CD1 LEU A 12 70.660 5.080 -6.905 1.00 1.49 C ATOM 162 CD2 LEU A 12 73.079 5.147 -7.511 1.00 1.68 C ATOM 0 H LEU A 12 71.565 8.959 -8.524 1.00 1.18 H new ATOM 0 HA LEU A 12 73.574 7.027 -8.830 1.00 1.21 H new ATOM 0 HB2 LEU A 12 70.598 7.255 -8.648 1.00 1.32 H new ATOM 0 HB3 LEU A 12 71.124 5.777 -9.429 1.00 1.32 H new ATOM 0 HG LEU A 12 71.959 6.785 -6.672 1.00 1.38 H new ATOM 0 HD11 LEU A 12 70.916 4.657 -5.933 1.00 1.49 H new ATOM 0 HD12 LEU A 12 69.747 5.668 -6.816 1.00 1.49 H new ATOM 0 HD13 LEU A 12 70.503 4.274 -7.622 1.00 1.49 H new ATOM 0 HD21 LEU A 12 73.335 4.726 -6.539 1.00 1.68 H new ATOM 0 HD22 LEU A 12 72.921 4.340 -8.226 1.00 1.68 H new ATOM 0 HD23 LEU A 12 73.894 5.783 -7.857 1.00 1.68 H new ATOM 174 N THR A 13 73.410 5.839 -11.106 1.00 1.05 N ATOM 175 CA THR A 13 73.606 5.451 -12.533 1.00 1.13 C ATOM 176 C THR A 13 72.575 4.393 -12.937 1.00 0.94 C ATOM 177 O THR A 13 72.218 3.530 -12.160 1.00 0.87 O ATOM 178 CB THR A 13 75.022 4.873 -12.595 1.00 1.38 C ATOM 179 OG1 THR A 13 75.269 4.104 -11.428 1.00 1.89 O ATOM 180 CG2 THR A 13 76.037 6.013 -12.683 1.00 1.68 C ATOM 0 H THR A 13 73.765 5.171 -10.421 1.00 1.05 H new ATOM 0 HA THR A 13 73.480 6.294 -13.213 1.00 1.13 H new ATOM 0 HB THR A 13 75.117 4.237 -13.475 1.00 1.38 H new ATOM 0 HG1 THR A 13 75.152 3.153 -11.632 1.00 1.89 H new ATOM 0 HG21 THR A 13 77.045 5.600 -12.727 1.00 1.68 H new ATOM 0 HG22 THR A 13 75.846 6.601 -13.580 1.00 1.68 H new ATOM 0 HG23 THR A 13 75.944 6.651 -11.804 1.00 1.68 H new ATOM 188 N GLU A 14 72.094 4.453 -14.149 1.00 0.94 N ATOM 189 CA GLU A 14 71.086 3.450 -14.601 1.00 0.90 C ATOM 190 C GLU A 14 71.560 2.034 -14.263 1.00 0.82 C ATOM 191 O GLU A 14 70.775 1.111 -14.172 1.00 0.82 O ATOM 192 CB GLU A 14 70.991 3.639 -16.116 1.00 1.05 C ATOM 193 CG GLU A 14 70.006 2.623 -16.698 1.00 2.10 C ATOM 194 CD GLU A 14 69.671 3.004 -18.141 1.00 2.64 C ATOM 195 OE1 GLU A 14 69.185 4.105 -18.344 1.00 3.31 O ATOM 196 OE2 GLU A 14 69.907 2.191 -19.019 1.00 2.91 O ATOM 0 H GLU A 14 72.354 5.152 -14.845 1.00 0.94 H new ATOM 0 HA GLU A 14 70.121 3.585 -14.113 1.00 0.90 H new ATOM 0 HB2 GLU A 14 70.663 4.652 -16.347 1.00 1.05 H new ATOM 0 HB3 GLU A 14 71.973 3.511 -16.571 1.00 1.05 H new ATOM 0 HG2 GLU A 14 70.438 1.623 -16.666 1.00 2.10 H new ATOM 0 HG3 GLU A 14 69.097 2.597 -16.097 1.00 2.10 H new ATOM 203 N GLU A 15 72.839 1.855 -14.077 1.00 0.92 N ATOM 204 CA GLU A 15 73.363 0.499 -13.747 1.00 1.01 C ATOM 205 C GLU A 15 72.972 0.105 -12.319 1.00 0.90 C ATOM 206 O GLU A 15 72.737 -1.050 -12.027 1.00 0.89 O ATOM 207 CB GLU A 15 74.882 0.621 -13.871 1.00 1.23 C ATOM 208 CG GLU A 15 75.362 -0.182 -15.081 1.00 1.92 C ATOM 209 CD GLU A 15 75.178 -1.676 -14.808 1.00 2.37 C ATOM 210 OE1 GLU A 15 75.456 -2.094 -13.696 1.00 2.80 O ATOM 211 OE2 GLU A 15 74.761 -2.377 -15.716 1.00 2.90 O ATOM 0 H GLU A 15 73.544 2.589 -14.139 1.00 0.92 H new ATOM 0 HA GLU A 15 72.958 -0.268 -14.407 1.00 1.01 H new ATOM 0 HB2 GLU A 15 75.166 1.668 -13.980 1.00 1.23 H new ATOM 0 HB3 GLU A 15 75.362 0.254 -12.964 1.00 1.23 H new ATOM 0 HG2 GLU A 15 74.801 0.108 -15.969 1.00 1.92 H new ATOM 0 HG3 GLU A 15 76.411 0.035 -15.282 1.00 1.92 H new ATOM 218 N GLN A 16 72.903 1.055 -11.424 1.00 0.89 N ATOM 219 CA GLN A 16 72.530 0.726 -10.019 1.00 0.87 C ATOM 220 C GLN A 16 71.007 0.653 -9.877 1.00 0.68 C ATOM 221 O GLN A 16 70.475 -0.241 -9.248 1.00 0.67 O ATOM 222 CB GLN A 16 73.092 1.875 -9.181 1.00 0.97 C ATOM 223 CG GLN A 16 74.424 1.449 -8.560 1.00 1.77 C ATOM 224 CD GLN A 16 75.219 2.692 -8.155 1.00 2.15 C ATOM 225 OE1 GLN A 16 75.642 2.813 -7.022 1.00 2.42 O ATOM 226 NE2 GLN A 16 75.443 3.625 -9.039 1.00 2.61 N ATOM 0 H GLN A 16 73.088 2.041 -11.605 1.00 0.89 H new ATOM 0 HA GLN A 16 72.924 -0.240 -9.703 1.00 0.87 H new ATOM 0 HB2 GLN A 16 73.235 2.758 -9.804 1.00 0.97 H new ATOM 0 HB3 GLN A 16 72.384 2.148 -8.398 1.00 0.97 H new ATOM 0 HG2 GLN A 16 74.246 0.818 -7.689 1.00 1.77 H new ATOM 0 HG3 GLN A 16 74.996 0.855 -9.272 1.00 1.77 H new ATOM 0 HE21 GLN A 16 75.088 3.523 -9.990 1.00 2.61 H new ATOM 0 HE22 GLN A 16 75.973 4.457 -8.779 1.00 2.61 H new ATOM 235 N LYS A 17 70.302 1.585 -10.457 1.00 0.63 N ATOM 236 CA LYS A 17 68.814 1.565 -10.354 1.00 0.62 C ATOM 237 C LYS A 17 68.260 0.272 -10.957 1.00 0.60 C ATOM 238 O LYS A 17 67.479 -0.426 -10.342 1.00 0.66 O ATOM 239 CB LYS A 17 68.346 2.778 -11.158 1.00 0.74 C ATOM 240 CG LYS A 17 69.035 4.037 -10.627 1.00 1.21 C ATOM 241 CD LYS A 17 68.258 5.274 -11.082 1.00 1.31 C ATOM 242 CE LYS A 17 67.741 6.032 -9.858 1.00 1.43 C ATOM 243 NZ LYS A 17 67.144 7.283 -10.405 1.00 2.06 N ATOM 0 H LYS A 17 70.690 2.358 -10.997 1.00 0.63 H new ATOM 0 HA LYS A 17 68.470 1.605 -9.321 1.00 0.62 H new ATOM 0 HB2 LYS A 17 68.579 2.640 -12.214 1.00 0.74 H new ATOM 0 HB3 LYS A 17 67.264 2.883 -11.082 1.00 0.74 H new ATOM 0 HG2 LYS A 17 69.085 4.006 -9.539 1.00 1.21 H new ATOM 0 HG3 LYS A 17 70.061 4.084 -10.992 1.00 1.21 H new ATOM 0 HD2 LYS A 17 68.901 5.921 -11.679 1.00 1.31 H new ATOM 0 HD3 LYS A 17 67.424 4.979 -11.719 1.00 1.31 H new ATOM 0 HE2 LYS A 17 67.000 5.446 -9.314 1.00 1.43 H new ATOM 0 HE3 LYS A 17 68.548 6.252 -9.160 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 66.767 7.858 -9.625 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 67.874 7.823 -10.912 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 66.374 7.042 -11.061 1.00 2.06 H new ATOM 257 N ASN A 18 68.660 -0.052 -12.156 1.00 0.70 N ATOM 258 CA ASN A 18 68.157 -1.301 -12.796 1.00 0.85 C ATOM 259 C ASN A 18 68.177 -2.453 -11.788 1.00 0.70 C ATOM 260 O ASN A 18 67.194 -3.138 -11.591 1.00 0.66 O ATOM 261 CB ASN A 18 69.126 -1.576 -13.945 1.00 1.11 C ATOM 262 CG ASN A 18 68.486 -1.146 -15.266 1.00 1.68 C ATOM 263 OD1 ASN A 18 68.102 -1.976 -16.067 1.00 2.15 O ATOM 264 ND2 ASN A 18 68.354 0.124 -15.530 1.00 2.13 N ATOM 0 H ASN A 18 69.312 0.493 -12.720 1.00 0.70 H new ATOM 0 HA ASN A 18 67.130 -1.202 -13.146 1.00 0.85 H new ATOM 0 HB2 ASN A 18 70.058 -1.033 -13.787 1.00 1.11 H new ATOM 0 HB3 ASN A 18 69.376 -2.636 -13.978 1.00 1.11 H new ATOM 0 HD21 ASN A 18 67.929 0.421 -16.408 1.00 2.13 H new ATOM 0 HD22 ASN A 18 68.676 0.821 -14.858 1.00 2.13 H new ATOM 271 N GLU A 19 69.293 -2.669 -11.146 1.00 0.76 N ATOM 272 CA GLU A 19 69.380 -3.775 -10.150 1.00 0.79 C ATOM 273 C GLU A 19 68.457 -3.489 -8.962 1.00 0.65 C ATOM 274 O GLU A 19 67.890 -4.388 -8.374 1.00 0.66 O ATOM 275 CB GLU A 19 70.842 -3.791 -9.702 1.00 0.98 C ATOM 276 CG GLU A 19 71.455 -5.158 -10.007 1.00 1.21 C ATOM 277 CD GLU A 19 71.006 -6.167 -8.950 1.00 1.82 C ATOM 278 OE1 GLU A 19 69.949 -5.961 -8.374 1.00 2.44 O ATOM 279 OE2 GLU A 19 71.724 -7.128 -8.731 1.00 2.53 O ATOM 0 H GLU A 19 70.149 -2.127 -11.268 1.00 0.76 H new ATOM 0 HA GLU A 19 69.072 -4.733 -10.568 1.00 0.79 H new ATOM 0 HB2 GLU A 19 71.399 -3.008 -10.216 1.00 0.98 H new ATOM 0 HB3 GLU A 19 70.908 -3.581 -8.634 1.00 0.98 H new ATOM 0 HG2 GLU A 19 71.148 -5.493 -10.998 1.00 1.21 H new ATOM 0 HG3 GLU A 19 72.543 -5.086 -10.017 1.00 1.21 H new ATOM 286 N PHE A 20 68.303 -2.243 -8.605 1.00 0.67 N ATOM 287 CA PHE A 20 67.417 -1.901 -7.455 1.00 0.75 C ATOM 288 C PHE A 20 65.949 -2.065 -7.854 1.00 0.66 C ATOM 289 O PHE A 20 65.201 -2.786 -7.224 1.00 0.79 O ATOM 290 CB PHE A 20 67.726 -0.436 -7.136 1.00 0.97 C ATOM 291 CG PHE A 20 69.207 -0.262 -6.867 1.00 1.44 C ATOM 292 CD1 PHE A 20 70.038 -1.381 -6.716 1.00 2.24 C ATOM 293 CD2 PHE A 20 69.747 1.026 -6.767 1.00 2.35 C ATOM 294 CE1 PHE A 20 71.405 -1.211 -6.467 1.00 3.29 C ATOM 295 CE2 PHE A 20 71.114 1.195 -6.517 1.00 3.36 C ATOM 296 CZ PHE A 20 71.943 0.078 -6.367 1.00 3.69 C ATOM 0 H PHE A 20 68.752 -1.448 -9.059 1.00 0.67 H new ATOM 0 HA PHE A 20 67.588 -2.549 -6.595 1.00 0.75 H new ATOM 0 HB2 PHE A 20 67.423 0.197 -7.970 1.00 0.97 H new ATOM 0 HB3 PHE A 20 67.151 -0.116 -6.267 1.00 0.97 H new ATOM 0 HD1 PHE A 20 69.623 -2.375 -6.792 1.00 2.24 H new ATOM 0 HD2 PHE A 20 69.109 1.889 -6.883 1.00 2.35 H new ATOM 0 HE1 PHE A 20 72.045 -2.074 -6.352 1.00 3.29 H new ATOM 0 HE2 PHE A 20 71.529 2.189 -6.440 1.00 3.36 H new ATOM 0 HZ PHE A 20 72.997 0.210 -6.174 1.00 3.69 H new ATOM 306 N LYS A 21 65.530 -1.402 -8.898 1.00 0.60 N ATOM 307 CA LYS A 21 64.110 -1.523 -9.336 1.00 0.65 C ATOM 308 C LYS A 21 63.774 -2.986 -9.635 1.00 0.57 C ATOM 309 O LYS A 21 62.671 -3.439 -9.406 1.00 0.57 O ATOM 310 CB LYS A 21 64.013 -0.680 -10.608 1.00 0.78 C ATOM 311 CG LYS A 21 63.540 0.731 -10.251 1.00 1.27 C ATOM 312 CD LYS A 21 64.754 1.637 -10.035 1.00 1.58 C ATOM 313 CE LYS A 21 64.482 2.585 -8.864 1.00 2.42 C ATOM 314 NZ LYS A 21 65.603 2.352 -7.912 1.00 2.88 N ATOM 0 H LYS A 21 66.109 -0.783 -9.466 1.00 0.60 H new ATOM 0 HA LYS A 21 63.411 -1.185 -8.570 1.00 0.65 H new ATOM 0 HB2 LYS A 21 64.983 -0.635 -11.102 1.00 0.78 H new ATOM 0 HB3 LYS A 21 63.318 -1.141 -11.310 1.00 0.78 H new ATOM 0 HG2 LYS A 21 62.913 1.129 -11.049 1.00 1.27 H new ATOM 0 HG3 LYS A 21 62.928 0.704 -9.349 1.00 1.27 H new ATOM 0 HD2 LYS A 21 65.639 1.034 -9.831 1.00 1.58 H new ATOM 0 HD3 LYS A 21 64.960 2.209 -10.940 1.00 1.58 H new ATOM 0 HE2 LYS A 21 64.454 3.623 -9.195 1.00 2.42 H new ATOM 0 HE3 LYS A 21 63.519 2.373 -8.400 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 65.343 2.718 -6.974 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 65.795 1.332 -7.845 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 66.455 2.843 -8.252 1.00 2.88 H new ATOM 328 N ALA A 22 64.719 -3.730 -10.144 1.00 0.59 N ATOM 329 CA ALA A 22 64.452 -5.163 -10.454 1.00 0.62 C ATOM 330 C ALA A 22 64.384 -5.980 -9.161 1.00 0.50 C ATOM 331 O ALA A 22 63.385 -6.604 -8.861 1.00 0.50 O ATOM 332 CB ALA A 22 65.638 -5.611 -11.309 1.00 0.76 C ATOM 0 H ALA A 22 65.663 -3.407 -10.358 1.00 0.59 H new ATOM 0 HA ALA A 22 63.502 -5.304 -10.969 1.00 0.62 H new ATOM 0 HB1 ALA A 22 65.516 -6.660 -11.580 1.00 0.76 H new ATOM 0 HB2 ALA A 22 65.683 -5.006 -12.214 1.00 0.76 H new ATOM 0 HB3 ALA A 22 66.562 -5.487 -10.743 1.00 0.76 H new ATOM 338 N ALA A 23 65.438 -5.979 -8.392 1.00 0.50 N ATOM 339 CA ALA A 23 65.433 -6.752 -7.118 1.00 0.53 C ATOM 340 C ALA A 23 64.333 -6.230 -6.191 1.00 0.46 C ATOM 341 O ALA A 23 63.570 -6.988 -5.627 1.00 0.52 O ATOM 342 CB ALA A 23 66.812 -6.515 -6.504 1.00 0.64 C ATOM 0 H ALA A 23 66.303 -5.476 -8.591 1.00 0.50 H new ATOM 0 HA ALA A 23 65.238 -7.812 -7.278 1.00 0.53 H new ATOM 0 HB1 ALA A 23 66.887 -7.053 -5.559 1.00 0.64 H new ATOM 0 HB2 ALA A 23 67.581 -6.873 -7.188 1.00 0.64 H new ATOM 0 HB3 ALA A 23 66.953 -5.449 -6.326 1.00 0.64 H new ATOM 348 N PHE A 24 64.245 -4.937 -6.029 1.00 0.47 N ATOM 349 CA PHE A 24 63.191 -4.369 -5.140 1.00 0.57 C ATOM 350 C PHE A 24 61.857 -5.076 -5.391 1.00 0.48 C ATOM 351 O PHE A 24 61.217 -5.557 -4.477 1.00 0.51 O ATOM 352 CB PHE A 24 63.097 -2.893 -5.527 1.00 0.77 C ATOM 353 CG PHE A 24 62.064 -2.209 -4.665 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.701 -2.404 -4.919 1.00 1.58 C ATOM 355 CD2 PHE A 24 62.469 -1.382 -3.611 1.00 1.54 C ATOM 356 CE1 PHE A 24 59.742 -1.770 -4.118 1.00 1.72 C ATOM 357 CE2 PHE A 24 61.510 -0.748 -2.811 1.00 1.62 C ATOM 358 CZ PHE A 24 60.148 -0.942 -3.064 1.00 1.25 C ATOM 0 H PHE A 24 64.856 -4.251 -6.473 1.00 0.47 H new ATOM 0 HA PHE A 24 63.427 -4.497 -4.084 1.00 0.57 H new ATOM 0 HB2 PHE A 24 64.067 -2.411 -5.402 1.00 0.77 H new ATOM 0 HB3 PHE A 24 62.828 -2.799 -6.579 1.00 0.77 H new ATOM 0 HD1 PHE A 24 60.389 -3.043 -5.732 1.00 1.58 H new ATOM 0 HD2 PHE A 24 63.520 -1.233 -3.415 1.00 1.54 H new ATOM 0 HE1 PHE A 24 58.690 -1.920 -4.313 1.00 1.72 H new ATOM 0 HE2 PHE A 24 61.822 -0.109 -1.998 1.00 1.62 H new ATOM 0 HZ PHE A 24 59.409 -0.453 -2.446 1.00 1.25 H new ATOM 368 N ASP A 25 61.435 -5.145 -6.624 1.00 0.45 N ATOM 369 CA ASP A 25 60.145 -5.823 -6.933 1.00 0.53 C ATOM 370 C ASP A 25 60.258 -7.323 -6.653 1.00 0.52 C ATOM 371 O ASP A 25 59.450 -7.895 -5.948 1.00 0.60 O ATOM 372 CB ASP A 25 59.912 -5.573 -8.423 1.00 0.66 C ATOM 373 CG ASP A 25 58.449 -5.863 -8.767 1.00 0.98 C ATOM 374 OD1 ASP A 25 57.695 -6.154 -7.854 1.00 1.52 O ATOM 375 OD2 ASP A 25 58.110 -5.789 -9.936 1.00 1.55 O ATOM 0 H ASP A 25 61.928 -4.761 -7.430 1.00 0.45 H new ATOM 0 HA ASP A 25 59.324 -5.446 -6.324 1.00 0.53 H new ATOM 0 HB2 ASP A 25 60.157 -4.541 -8.672 1.00 0.66 H new ATOM 0 HB3 ASP A 25 60.569 -6.209 -9.016 1.00 0.66 H new ATOM 380 N ILE A 26 61.255 -7.965 -7.198 1.00 0.50 N ATOM 381 CA ILE A 26 61.420 -9.428 -6.960 1.00 0.63 C ATOM 382 C ILE A 26 61.391 -9.720 -5.458 1.00 0.70 C ATOM 383 O ILE A 26 61.010 -10.791 -5.030 1.00 0.94 O ATOM 384 CB ILE A 26 62.789 -9.773 -7.547 1.00 0.68 C ATOM 385 CG1 ILE A 26 62.787 -9.481 -9.049 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.081 -11.258 -7.319 1.00 0.94 C ATOM 387 CD1 ILE A 26 64.228 -9.332 -9.542 1.00 0.69 C ATOM 0 H ILE A 26 61.962 -7.540 -7.798 1.00 0.50 H new ATOM 0 HA ILE A 26 60.623 -10.016 -7.416 1.00 0.63 H new ATOM 0 HB ILE A 26 63.556 -9.171 -7.059 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.289 -10.288 -9.586 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.226 -8.569 -9.252 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.057 -11.505 -7.737 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.080 -11.469 -6.250 1.00 0.94 H new ATOM 0 HG23 ILE A 26 62.314 -11.859 -7.808 1.00 0.94 H new ATOM 0 HD11 ILE A 26 64.227 -9.124 -10.612 1.00 0.69 H new ATOM 0 HD12 ILE A 26 64.710 -8.510 -9.013 1.00 0.69 H new ATOM 0 HD13 ILE A 26 64.775 -10.256 -9.353 1.00 0.69 H new ATOM 399 N PHE A 27 61.790 -8.772 -4.655 1.00 0.61 N ATOM 400 CA PHE A 27 61.787 -8.991 -3.180 1.00 0.79 C ATOM 401 C PHE A 27 60.479 -8.476 -2.574 1.00 0.76 C ATOM 402 O PHE A 27 59.995 -8.993 -1.587 1.00 1.03 O ATOM 403 CB PHE A 27 62.976 -8.183 -2.660 1.00 0.91 C ATOM 404 CG PHE A 27 64.245 -8.978 -2.850 1.00 1.45 C ATOM 405 CD1 PHE A 27 64.427 -10.184 -2.162 1.00 2.23 C ATOM 406 CD2 PHE A 27 65.242 -8.508 -3.714 1.00 2.07 C ATOM 407 CE1 PHE A 27 65.605 -10.920 -2.338 1.00 3.07 C ATOM 408 CE2 PHE A 27 66.420 -9.244 -3.890 1.00 2.83 C ATOM 409 CZ PHE A 27 66.602 -10.450 -3.202 1.00 3.21 C ATOM 0 H PHE A 27 62.118 -7.854 -4.956 1.00 0.61 H new ATOM 0 HA PHE A 27 61.865 -10.046 -2.916 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.045 -7.234 -3.192 1.00 0.91 H new ATOM 0 HB3 PHE A 27 62.836 -7.947 -1.605 1.00 0.91 H new ATOM 0 HD1 PHE A 27 63.658 -10.547 -1.495 1.00 2.23 H new ATOM 0 HD2 PHE A 27 65.102 -7.578 -4.245 1.00 2.07 H new ATOM 0 HE1 PHE A 27 65.745 -11.850 -1.807 1.00 3.07 H new ATOM 0 HE2 PHE A 27 67.189 -8.881 -4.557 1.00 2.83 H new ATOM 0 HZ PHE A 27 67.511 -11.017 -3.338 1.00 3.21 H new ATOM 419 N VAL A 28 59.902 -7.462 -3.160 1.00 0.63 N ATOM 420 CA VAL A 28 58.625 -6.917 -2.622 1.00 0.65 C ATOM 421 C VAL A 28 57.445 -7.740 -3.151 1.00 0.65 C ATOM 422 O VAL A 28 56.309 -7.522 -2.781 1.00 0.74 O ATOM 423 CB VAL A 28 58.585 -5.467 -3.126 1.00 0.68 C ATOM 424 CG1 VAL A 28 57.144 -5.034 -3.408 1.00 1.10 C ATOM 425 CG2 VAL A 28 59.185 -4.551 -2.059 1.00 1.47 C ATOM 0 H VAL A 28 60.261 -6.988 -3.989 1.00 0.63 H new ATOM 0 HA VAL A 28 58.560 -6.960 -1.535 1.00 0.65 H new ATOM 0 HB VAL A 28 59.159 -5.399 -4.050 1.00 0.68 H new ATOM 0 HG11 VAL A 28 57.137 -4.004 -3.764 1.00 1.10 H new ATOM 0 HG12 VAL A 28 56.711 -5.684 -4.168 1.00 1.10 H new ATOM 0 HG13 VAL A 28 56.557 -5.106 -2.492 1.00 1.10 H new ATOM 0 HG21 VAL A 28 59.160 -3.519 -2.410 1.00 1.47 H new ATOM 0 HG22 VAL A 28 58.606 -4.636 -1.139 1.00 1.47 H new ATOM 0 HG23 VAL A 28 60.217 -4.844 -1.866 1.00 1.47 H new ATOM 435 N LEU A 29 57.706 -8.688 -4.008 1.00 0.92 N ATOM 436 CA LEU A 29 56.598 -9.525 -4.551 1.00 0.99 C ATOM 437 C LEU A 29 55.739 -10.048 -3.402 1.00 0.99 C ATOM 438 O LEU A 29 54.549 -10.251 -3.540 1.00 1.10 O ATOM 439 CB LEU A 29 57.295 -10.683 -5.261 1.00 1.43 C ATOM 440 CG LEU A 29 57.015 -10.605 -6.763 1.00 1.74 C ATOM 441 CD1 LEU A 29 55.516 -10.778 -7.014 1.00 2.11 C ATOM 442 CD2 LEU A 29 57.466 -9.244 -7.294 1.00 2.45 C ATOM 0 H LEU A 29 58.637 -8.919 -4.356 1.00 0.92 H new ATOM 0 HA LEU A 29 55.942 -8.970 -5.222 1.00 0.99 H new ATOM 0 HB2 LEU A 29 58.369 -10.642 -5.078 1.00 1.43 H new ATOM 0 HB3 LEU A 29 56.940 -11.634 -4.863 1.00 1.43 H new ATOM 0 HG LEU A 29 57.562 -11.396 -7.276 1.00 1.74 H new ATOM 0 HD11 LEU A 29 55.317 -10.722 -8.084 1.00 2.11 H new ATOM 0 HD12 LEU A 29 55.193 -11.748 -6.635 1.00 2.11 H new ATOM 0 HD13 LEU A 29 54.968 -9.987 -6.502 1.00 2.11 H new ATOM 0 HD21 LEU A 29 57.267 -9.187 -8.364 1.00 2.45 H new ATOM 0 HD22 LEU A 29 56.919 -8.454 -6.781 1.00 2.45 H new ATOM 0 HD23 LEU A 29 58.534 -9.120 -7.116 1.00 2.45 H new ATOM 454 N GLY A 30 56.337 -10.259 -2.263 1.00 1.16 N ATOM 455 CA GLY A 30 55.567 -10.761 -1.093 1.00 1.58 C ATOM 456 C GLY A 30 55.682 -9.754 0.053 1.00 1.39 C ATOM 457 O GLY A 30 55.123 -9.940 1.114 1.00 1.89 O ATOM 0 H GLY A 30 57.331 -10.104 -2.092 1.00 1.16 H new ATOM 0 HA2 GLY A 30 54.521 -10.903 -1.365 1.00 1.58 H new ATOM 0 HA3 GLY A 30 55.950 -11.732 -0.780 1.00 1.58 H new ATOM 461 N ALA A 31 56.406 -8.686 -0.156 1.00 0.90 N ATOM 462 CA ALA A 31 56.556 -7.665 0.921 1.00 0.95 C ATOM 463 C ALA A 31 55.200 -7.377 1.569 1.00 1.15 C ATOM 464 O ALA A 31 54.169 -7.811 1.095 1.00 1.41 O ATOM 465 CB ALA A 31 57.089 -6.419 0.215 1.00 0.97 C ATOM 0 H ALA A 31 56.899 -8.477 -1.024 1.00 0.90 H new ATOM 0 HA ALA A 31 57.223 -7.999 1.716 1.00 0.95 H new ATOM 0 HB1 ALA A 31 57.227 -5.619 0.943 1.00 0.97 H new ATOM 0 HB2 ALA A 31 58.044 -6.649 -0.257 1.00 0.97 H new ATOM 0 HB3 ALA A 31 56.377 -6.099 -0.545 1.00 0.97 H new ATOM 471 N GLU A 32 55.191 -6.651 2.653 1.00 1.35 N ATOM 472 CA GLU A 32 53.901 -6.338 3.332 1.00 1.90 C ATOM 473 C GLU A 32 52.921 -5.700 2.343 1.00 2.05 C ATOM 474 O GLU A 32 51.769 -6.078 2.267 1.00 2.79 O ATOM 475 CB GLU A 32 54.264 -5.349 4.440 1.00 2.37 C ATOM 476 CG GLU A 32 53.438 -5.657 5.689 1.00 2.44 C ATOM 477 CD GLU A 32 53.390 -4.423 6.590 1.00 2.83 C ATOM 478 OE1 GLU A 32 54.364 -4.182 7.284 1.00 3.29 O ATOM 479 OE2 GLU A 32 52.380 -3.738 6.570 1.00 3.24 O ATOM 0 H GLU A 32 56.021 -6.261 3.098 1.00 1.35 H new ATOM 0 HA GLU A 32 53.417 -7.231 3.726 1.00 1.90 H new ATOM 0 HB2 GLU A 32 55.328 -5.417 4.669 1.00 2.37 H new ATOM 0 HB3 GLU A 32 54.074 -4.328 4.108 1.00 2.37 H new ATOM 0 HG2 GLU A 32 52.428 -5.952 5.405 1.00 2.44 H new ATOM 0 HG3 GLU A 32 53.876 -6.497 6.229 1.00 2.44 H new ATOM 486 N ASP A 33 53.370 -4.736 1.587 1.00 1.80 N ATOM 487 CA ASP A 33 52.462 -4.076 0.604 1.00 2.11 C ATOM 488 C ASP A 33 53.265 -3.555 -0.590 1.00 1.47 C ATOM 489 O ASP A 33 52.918 -3.786 -1.732 1.00 1.80 O ATOM 490 CB ASP A 33 51.823 -2.914 1.368 1.00 3.12 C ATOM 491 CG ASP A 33 52.891 -2.186 2.186 1.00 3.68 C ATOM 492 OD1 ASP A 33 53.708 -1.506 1.585 1.00 4.09 O ATOM 493 OD2 ASP A 33 52.875 -2.319 3.399 1.00 4.12 O ATOM 0 H ASP A 33 54.324 -4.377 1.607 1.00 1.80 H new ATOM 0 HA ASP A 33 51.714 -4.763 0.209 1.00 2.11 H new ATOM 0 HB2 ASP A 33 51.352 -2.222 0.670 1.00 3.12 H new ATOM 0 HB3 ASP A 33 51.038 -3.287 2.026 1.00 3.12 H new ATOM 498 N GLY A 34 54.335 -2.852 -0.338 1.00 1.10 N ATOM 499 CA GLY A 34 55.157 -2.318 -1.459 1.00 1.40 C ATOM 500 C GLY A 34 56.456 -1.730 -0.907 1.00 1.17 C ATOM 501 O GLY A 34 56.807 -0.601 -1.187 1.00 1.39 O ATOM 0 H GLY A 34 54.675 -2.625 0.596 1.00 1.10 H new ATOM 0 HA2 GLY A 34 55.379 -3.113 -2.171 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.600 -1.552 -1.999 1.00 1.40 H new ATOM 505 N SER A 35 57.174 -2.486 -0.122 1.00 0.84 N ATOM 506 CA SER A 35 58.451 -1.969 0.448 1.00 0.70 C ATOM 507 C SER A 35 59.337 -3.132 0.902 1.00 0.67 C ATOM 508 O SER A 35 58.953 -4.283 0.827 1.00 0.80 O ATOM 509 CB SER A 35 58.033 -1.112 1.642 1.00 0.75 C ATOM 510 OG SER A 35 56.827 -1.627 2.191 1.00 1.04 O ATOM 0 H SER A 35 56.932 -3.439 0.149 1.00 0.84 H new ATOM 0 HA SER A 35 59.028 -1.398 -0.280 1.00 0.70 H new ATOM 0 HB2 SER A 35 58.819 -1.112 2.397 1.00 0.75 H new ATOM 0 HB3 SER A 35 57.891 -0.077 1.330 1.00 0.75 H new ATOM 0 HG SER A 35 56.557 -1.080 2.958 1.00 1.04 H new ATOM 516 N ILE A 36 60.518 -2.840 1.374 1.00 0.69 N ATOM 517 CA ILE A 36 61.427 -3.931 1.835 1.00 0.78 C ATOM 518 C ILE A 36 62.141 -3.512 3.121 1.00 0.71 C ATOM 519 O ILE A 36 63.092 -2.755 3.099 1.00 0.98 O ATOM 520 CB ILE A 36 62.443 -4.154 0.705 1.00 1.00 C ATOM 521 CG1 ILE A 36 62.696 -2.849 -0.064 1.00 1.09 C ATOM 522 CG2 ILE A 36 61.901 -5.209 -0.259 1.00 1.36 C ATOM 523 CD1 ILE A 36 63.518 -3.151 -1.319 1.00 1.22 C ATOM 0 H ILE A 36 60.893 -1.896 1.461 1.00 0.69 H new ATOM 0 HA ILE A 36 60.874 -4.845 2.052 1.00 0.78 H new ATOM 0 HB ILE A 36 63.383 -4.490 1.142 1.00 1.00 H new ATOM 0 HG12 ILE A 36 61.748 -2.386 -0.339 1.00 1.09 H new ATOM 0 HG13 ILE A 36 63.226 -2.138 0.569 1.00 1.09 H new ATOM 0 HG21 ILE A 36 62.619 -5.370 -1.063 1.00 1.36 H new ATOM 0 HG22 ILE A 36 61.741 -6.144 0.278 1.00 1.36 H new ATOM 0 HG23 ILE A 36 60.956 -4.866 -0.680 1.00 1.36 H new ATOM 0 HD11 ILE A 36 63.699 -2.226 -1.867 1.00 1.22 H new ATOM 0 HD12 ILE A 36 64.471 -3.595 -1.032 1.00 1.22 H new ATOM 0 HD13 ILE A 36 62.970 -3.847 -1.954 1.00 1.22 H new ATOM 535 N SER A 37 61.687 -3.999 4.243 1.00 0.87 N ATOM 536 CA SER A 37 62.334 -3.632 5.534 1.00 0.87 C ATOM 537 C SER A 37 63.598 -4.468 5.747 1.00 0.76 C ATOM 538 O SER A 37 63.949 -5.301 4.934 1.00 0.87 O ATOM 539 CB SER A 37 61.291 -3.954 6.603 1.00 1.12 C ATOM 540 OG SER A 37 59.998 -3.949 6.013 1.00 1.52 O ATOM 0 H SER A 37 60.895 -4.636 4.321 1.00 0.87 H new ATOM 0 HA SER A 37 62.637 -2.585 5.563 1.00 0.87 H new ATOM 0 HB2 SER A 37 61.497 -4.928 7.047 1.00 1.12 H new ATOM 0 HB3 SER A 37 61.339 -3.220 7.408 1.00 1.12 H new ATOM 0 HG SER A 37 59.346 -4.310 6.650 1.00 1.52 H new ATOM 546 N THR A 38 64.284 -4.254 6.835 1.00 0.71 N ATOM 547 CA THR A 38 65.524 -5.040 7.101 1.00 0.65 C ATOM 548 C THR A 38 65.299 -6.517 6.766 1.00 0.70 C ATOM 549 O THR A 38 66.225 -7.242 6.463 1.00 1.37 O ATOM 550 CB THR A 38 65.814 -4.861 8.596 1.00 0.76 C ATOM 551 OG1 THR A 38 66.619 -5.939 9.054 1.00 1.55 O ATOM 552 CG2 THR A 38 64.504 -4.837 9.379 1.00 1.00 C ATOM 0 H THR A 38 64.041 -3.570 7.552 1.00 0.71 H new ATOM 0 HA THR A 38 66.359 -4.700 6.489 1.00 0.65 H new ATOM 0 HB THR A 38 66.341 -3.919 8.749 1.00 0.76 H new ATOM 0 HG1 THR A 38 66.806 -5.825 10.009 1.00 1.55 H new ATOM 0 HG21 THR A 38 64.717 -4.710 10.440 1.00 1.00 H new ATOM 0 HG22 THR A 38 63.887 -4.009 9.031 1.00 1.00 H new ATOM 0 HG23 THR A 38 63.971 -5.776 9.226 1.00 1.00 H new ATOM 560 N LYS A 39 64.075 -6.968 6.818 1.00 0.60 N ATOM 561 CA LYS A 39 63.793 -8.397 6.501 1.00 0.66 C ATOM 562 C LYS A 39 63.878 -8.637 4.989 1.00 0.64 C ATOM 563 O LYS A 39 64.305 -9.684 4.543 1.00 0.87 O ATOM 564 CB LYS A 39 62.368 -8.638 7.004 1.00 0.81 C ATOM 565 CG LYS A 39 62.337 -9.900 7.867 1.00 1.42 C ATOM 566 CD LYS A 39 63.079 -11.030 7.149 1.00 1.58 C ATOM 567 CE LYS A 39 62.472 -12.376 7.546 1.00 2.15 C ATOM 568 NZ LYS A 39 63.479 -13.389 7.126 1.00 2.80 N ATOM 0 H LYS A 39 63.259 -6.409 7.066 1.00 0.60 H new ATOM 0 HA LYS A 39 64.512 -9.072 6.966 1.00 0.66 H new ATOM 0 HB2 LYS A 39 62.026 -7.780 7.583 1.00 0.81 H new ATOM 0 HB3 LYS A 39 61.687 -8.745 6.160 1.00 0.81 H new ATOM 0 HG2 LYS A 39 62.801 -9.703 8.834 1.00 1.42 H new ATOM 0 HG3 LYS A 39 61.306 -10.194 8.062 1.00 1.42 H new ATOM 0 HD2 LYS A 39 63.012 -10.894 6.070 1.00 1.58 H new ATOM 0 HD3 LYS A 39 64.137 -11.006 7.409 1.00 1.58 H new ATOM 0 HE2 LYS A 39 62.286 -12.425 8.619 1.00 2.15 H new ATOM 0 HE3 LYS A 39 61.516 -12.540 7.049 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 63.135 -14.341 7.365 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 63.630 -13.323 6.099 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 64.377 -13.212 7.620 1.00 2.80 H new ATOM 582 N GLU A 40 63.476 -7.679 4.198 1.00 0.63 N ATOM 583 CA GLU A 40 63.537 -7.861 2.719 1.00 0.68 C ATOM 584 C GLU A 40 64.832 -7.260 2.164 1.00 0.66 C ATOM 585 O GLU A 40 65.516 -7.865 1.365 1.00 0.83 O ATOM 586 CB GLU A 40 62.323 -7.105 2.176 1.00 0.86 C ATOM 587 CG GLU A 40 61.040 -7.843 2.562 1.00 1.05 C ATOM 588 CD GLU A 40 61.110 -9.288 2.061 1.00 1.54 C ATOM 589 OE1 GLU A 40 61.000 -9.483 0.862 1.00 2.32 O ATOM 590 OE2 GLU A 40 61.272 -10.172 2.885 1.00 1.92 O ATOM 0 H GLU A 40 63.109 -6.780 4.511 1.00 0.63 H new ATOM 0 HA GLU A 40 63.526 -8.913 2.433 1.00 0.68 H new ATOM 0 HB2 GLU A 40 62.305 -6.091 2.576 1.00 0.86 H new ATOM 0 HB3 GLU A 40 62.392 -7.018 1.092 1.00 0.86 H new ATOM 0 HG2 GLU A 40 60.911 -7.828 3.644 1.00 1.05 H new ATOM 0 HG3 GLU A 40 60.175 -7.339 2.131 1.00 1.05 H new ATOM 597 N LEU A 41 65.170 -6.071 2.583 1.00 0.73 N ATOM 598 CA LEU A 41 66.418 -5.427 2.079 1.00 0.80 C ATOM 599 C LEU A 41 67.615 -6.362 2.272 1.00 0.72 C ATOM 600 O LEU A 41 68.472 -6.473 1.418 1.00 0.81 O ATOM 601 CB LEU A 41 66.580 -4.167 2.930 1.00 1.10 C ATOM 602 CG LEU A 41 67.077 -3.017 2.053 1.00 1.23 C ATOM 603 CD1 LEU A 41 68.451 -3.370 1.480 1.00 1.94 C ATOM 604 CD2 LEU A 41 66.092 -2.789 0.907 1.00 1.83 C ATOM 0 H LEU A 41 64.636 -5.517 3.253 1.00 0.73 H new ATOM 0 HA LEU A 41 66.364 -5.199 1.014 1.00 0.80 H new ATOM 0 HB2 LEU A 41 65.628 -3.902 3.390 1.00 1.10 H new ATOM 0 HB3 LEU A 41 67.286 -4.351 3.740 1.00 1.10 H new ATOM 0 HG LEU A 41 67.155 -2.110 2.652 1.00 1.23 H new ATOM 0 HD11 LEU A 41 68.806 -2.551 0.855 1.00 1.94 H new ATOM 0 HD12 LEU A 41 69.154 -3.534 2.296 1.00 1.94 H new ATOM 0 HD13 LEU A 41 68.373 -4.277 0.880 1.00 1.94 H new ATOM 0 HD21 LEU A 41 66.445 -1.969 0.281 1.00 1.83 H new ATOM 0 HD22 LEU A 41 66.015 -3.696 0.308 1.00 1.83 H new ATOM 0 HD23 LEU A 41 65.112 -2.539 1.314 1.00 1.83 H new ATOM 616 N GLY A 42 67.685 -7.032 3.390 1.00 0.72 N ATOM 617 CA GLY A 42 68.830 -7.953 3.637 1.00 0.91 C ATOM 618 C GLY A 42 69.066 -8.828 2.405 1.00 0.78 C ATOM 619 O GLY A 42 70.074 -8.716 1.736 1.00 0.84 O ATOM 0 H GLY A 42 66.999 -6.981 4.143 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.728 -7.379 3.864 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.624 -8.579 4.505 1.00 0.91 H new ATOM 623 N LYS A 43 68.148 -9.704 2.102 1.00 0.77 N ATOM 624 CA LYS A 43 68.323 -10.593 0.916 1.00 0.86 C ATOM 625 C LYS A 43 68.594 -9.764 -0.344 1.00 0.79 C ATOM 626 O LYS A 43 69.190 -10.238 -1.291 1.00 0.99 O ATOM 627 CB LYS A 43 66.998 -11.345 0.788 1.00 0.95 C ATOM 628 CG LYS A 43 67.131 -12.727 1.429 1.00 1.34 C ATOM 629 CD LYS A 43 65.815 -13.105 2.110 1.00 2.13 C ATOM 630 CE LYS A 43 66.077 -14.181 3.167 1.00 2.65 C ATOM 631 NZ LYS A 43 65.000 -15.189 2.965 1.00 2.98 N ATOM 0 H LYS A 43 67.283 -9.844 2.624 1.00 0.77 H new ATOM 0 HA LYS A 43 69.170 -11.269 1.033 1.00 0.86 H new ATOM 0 HB2 LYS A 43 66.200 -10.783 1.273 1.00 0.95 H new ATOM 0 HB3 LYS A 43 66.724 -11.445 -0.262 1.00 0.95 H new ATOM 0 HG2 LYS A 43 67.386 -13.468 0.671 1.00 1.34 H new ATOM 0 HG3 LYS A 43 67.942 -12.725 2.158 1.00 1.34 H new ATOM 0 HD2 LYS A 43 65.368 -12.226 2.574 1.00 2.13 H new ATOM 0 HD3 LYS A 43 65.103 -13.472 1.371 1.00 2.13 H new ATOM 0 HE2 LYS A 43 67.064 -14.627 3.041 1.00 2.65 H new ATOM 0 HE3 LYS A 43 66.043 -13.763 4.173 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 65.112 -15.960 3.654 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 64.073 -14.738 3.098 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 65.062 -15.575 2.001 1.00 2.98 H new ATOM 645 N VAL A 44 68.160 -8.534 -0.368 1.00 0.72 N ATOM 646 CA VAL A 44 68.394 -7.687 -1.573 1.00 0.93 C ATOM 647 C VAL A 44 69.852 -7.220 -1.624 1.00 0.89 C ATOM 648 O VAL A 44 70.509 -7.314 -2.641 1.00 1.06 O ATOM 649 CB VAL A 44 67.455 -6.493 -1.406 1.00 1.18 C ATOM 650 CG1 VAL A 44 67.681 -5.498 -2.545 1.00 1.72 C ATOM 651 CG2 VAL A 44 66.003 -6.979 -1.438 1.00 1.80 C ATOM 0 H VAL A 44 67.655 -8.079 0.392 1.00 0.72 H new ATOM 0 HA VAL A 44 68.205 -8.230 -2.499 1.00 0.93 H new ATOM 0 HB VAL A 44 67.657 -6.005 -0.453 1.00 1.18 H new ATOM 0 HG11 VAL A 44 67.010 -4.647 -2.424 1.00 1.72 H new ATOM 0 HG12 VAL A 44 68.714 -5.151 -2.525 1.00 1.72 H new ATOM 0 HG13 VAL A 44 67.480 -5.985 -3.499 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.332 -6.128 -1.319 1.00 1.80 H new ATOM 0 HG22 VAL A 44 65.804 -7.468 -2.392 1.00 1.80 H new ATOM 0 HG23 VAL A 44 65.838 -7.687 -0.626 1.00 1.80 H new ATOM 661 N MET A 45 70.361 -6.714 -0.534 1.00 0.86 N ATOM 662 CA MET A 45 71.775 -6.238 -0.521 1.00 1.06 C ATOM 663 C MET A 45 72.718 -7.341 -1.009 1.00 1.08 C ATOM 664 O MET A 45 73.542 -7.126 -1.876 1.00 1.14 O ATOM 665 CB MET A 45 72.063 -5.899 0.942 1.00 1.34 C ATOM 666 CG MET A 45 72.598 -4.469 1.040 1.00 1.88 C ATOM 667 SD MET A 45 72.142 -3.764 2.643 1.00 2.45 S ATOM 668 CE MET A 45 72.435 -2.029 2.219 1.00 3.35 C ATOM 0 H MET A 45 69.860 -6.609 0.348 1.00 0.86 H new ATOM 0 HA MET A 45 71.925 -5.382 -1.179 1.00 1.06 H new ATOM 0 HB2 MET A 45 71.154 -6.000 1.535 1.00 1.34 H new ATOM 0 HB3 MET A 45 72.791 -6.599 1.352 1.00 1.34 H new ATOM 0 HG2 MET A 45 73.682 -4.466 0.924 1.00 1.88 H new ATOM 0 HG3 MET A 45 72.190 -3.860 0.233 1.00 1.88 H new ATOM 0 HE1 MET A 45 72.668 -1.468 3.124 1.00 3.35 H new ATOM 0 HE2 MET A 45 73.272 -1.961 1.524 1.00 3.35 H new ATOM 0 HE3 MET A 45 71.542 -1.612 1.753 1.00 3.35 H new ATOM 678 N ARG A 46 72.608 -8.517 -0.456 1.00 1.20 N ATOM 679 CA ARG A 46 73.503 -9.630 -0.887 1.00 1.46 C ATOM 680 C ARG A 46 73.458 -9.793 -2.410 1.00 1.52 C ATOM 681 O ARG A 46 74.406 -10.243 -3.022 1.00 1.73 O ATOM 682 CB ARG A 46 72.944 -10.875 -0.199 1.00 1.74 C ATOM 683 CG ARG A 46 74.072 -11.885 0.026 1.00 1.93 C ATOM 684 CD ARG A 46 73.519 -13.115 0.752 1.00 2.48 C ATOM 685 NE ARG A 46 74.279 -13.178 2.031 1.00 2.64 N ATOM 686 CZ ARG A 46 74.140 -14.205 2.824 1.00 3.08 C ATOM 687 NH1 ARG A 46 73.910 -15.390 2.326 1.00 3.64 N ATOM 688 NH2 ARG A 46 74.231 -14.048 4.116 1.00 3.41 N ATOM 0 H ARG A 46 71.938 -8.756 0.275 1.00 1.20 H new ATOM 0 HA ARG A 46 74.544 -9.447 -0.620 1.00 1.46 H new ATOM 0 HB2 ARG A 46 72.489 -10.604 0.754 1.00 1.74 H new ATOM 0 HB3 ARG A 46 72.160 -11.320 -0.811 1.00 1.74 H new ATOM 0 HG2 ARG A 46 74.508 -12.179 -0.929 1.00 1.93 H new ATOM 0 HG3 ARG A 46 74.870 -11.431 0.614 1.00 1.93 H new ATOM 0 HD2 ARG A 46 72.448 -13.019 0.933 1.00 2.48 H new ATOM 0 HD3 ARG A 46 73.663 -14.020 0.162 1.00 2.48 H new ATOM 0 HE ARG A 46 74.909 -12.418 2.287 1.00 2.64 H new ATOM 0 HH11 ARG A 46 73.839 -15.514 1.316 1.00 3.64 H new ATOM 0 HH12 ARG A 46 73.802 -16.192 2.947 1.00 3.64 H new ATOM 0 HH21 ARG A 46 74.411 -13.123 4.506 1.00 3.41 H new ATOM 0 HH22 ARG A 46 74.122 -14.850 4.736 1.00 3.41 H new ATOM 702 N MET A 47 72.365 -9.431 -3.025 1.00 1.46 N ATOM 703 CA MET A 47 72.265 -9.569 -4.508 1.00 1.73 C ATOM 704 C MET A 47 72.978 -8.403 -5.195 1.00 1.75 C ATOM 705 O MET A 47 73.705 -8.583 -6.152 1.00 2.01 O ATOM 706 CB MET A 47 70.768 -9.537 -4.813 1.00 1.70 C ATOM 707 CG MET A 47 70.031 -10.493 -3.873 1.00 1.96 C ATOM 708 SD MET A 47 69.342 -11.869 -4.828 1.00 1.94 S ATOM 709 CE MET A 47 68.244 -10.889 -5.880 1.00 1.52 C ATOM 0 H MET A 47 71.539 -9.047 -2.567 1.00 1.46 H new ATOM 0 HA MET A 47 72.732 -10.485 -4.869 1.00 1.73 H new ATOM 0 HB2 MET A 47 70.384 -8.524 -4.692 1.00 1.70 H new ATOM 0 HB3 MET A 47 70.592 -9.823 -5.850 1.00 1.70 H new ATOM 0 HG2 MET A 47 70.714 -10.871 -3.112 1.00 1.96 H new ATOM 0 HG3 MET A 47 69.234 -9.964 -3.351 1.00 1.96 H new ATOM 0 HE1 MET A 47 67.217 -11.233 -5.755 1.00 1.52 H new ATOM 0 HE2 MET A 47 68.312 -9.838 -5.598 1.00 1.52 H new ATOM 0 HE3 MET A 47 68.541 -11.004 -6.923 1.00 1.52 H new ATOM 719 N LEU A 48 72.773 -7.209 -4.714 1.00 1.60 N ATOM 720 CA LEU A 48 73.436 -6.029 -5.337 1.00 1.69 C ATOM 721 C LEU A 48 74.958 -6.170 -5.249 1.00 1.68 C ATOM 722 O LEU A 48 75.682 -5.757 -6.132 1.00 1.99 O ATOM 723 CB LEU A 48 72.961 -4.829 -4.517 1.00 1.73 C ATOM 724 CG LEU A 48 71.431 -4.784 -4.515 1.00 1.75 C ATOM 725 CD1 LEU A 48 70.960 -3.475 -3.884 1.00 1.86 C ATOM 726 CD2 LEU A 48 70.917 -4.871 -5.954 1.00 2.15 C ATOM 0 H LEU A 48 72.174 -6.999 -3.915 1.00 1.60 H new ATOM 0 HA LEU A 48 73.187 -5.925 -6.393 1.00 1.69 H new ATOM 0 HB2 LEU A 48 73.334 -4.903 -3.496 1.00 1.73 H new ATOM 0 HB3 LEU A 48 73.362 -3.907 -4.937 1.00 1.73 H new ATOM 0 HG LEU A 48 71.044 -5.624 -3.939 1.00 1.75 H new ATOM 0 HD11 LEU A 48 69.870 -3.443 -3.883 1.00 1.86 H new ATOM 0 HD12 LEU A 48 71.326 -3.413 -2.859 1.00 1.86 H new ATOM 0 HD13 LEU A 48 71.347 -2.634 -4.459 1.00 1.86 H new ATOM 0 HD21 LEU A 48 69.827 -4.839 -5.954 1.00 2.15 H new ATOM 0 HD22 LEU A 48 71.305 -4.031 -6.530 1.00 2.15 H new ATOM 0 HD23 LEU A 48 71.252 -5.805 -6.404 1.00 2.15 H new ATOM 738 N GLY A 49 75.446 -6.752 -4.188 1.00 1.63 N ATOM 739 CA GLY A 49 76.920 -6.921 -4.041 1.00 1.87 C ATOM 740 C GLY A 49 77.371 -6.329 -2.704 1.00 1.54 C ATOM 741 O GLY A 49 78.293 -5.541 -2.643 1.00 1.53 O ATOM 0 H GLY A 49 74.888 -7.118 -3.416 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.182 -7.978 -4.090 1.00 1.87 H new ATOM 0 HA3 GLY A 49 77.437 -6.426 -4.863 1.00 1.87 H new ATOM 745 N GLN A 50 76.727 -6.704 -1.632 1.00 1.37 N ATOM 746 CA GLN A 50 77.119 -6.162 -0.300 1.00 1.17 C ATOM 747 C GLN A 50 77.132 -7.281 0.745 1.00 1.24 C ATOM 748 O GLN A 50 76.535 -8.323 0.560 1.00 1.75 O ATOM 749 CB GLN A 50 76.047 -5.125 0.036 1.00 1.29 C ATOM 750 CG GLN A 50 76.250 -3.882 -0.831 1.00 1.28 C ATOM 751 CD GLN A 50 75.652 -2.665 -0.125 1.00 1.41 C ATOM 752 OE1 GLN A 50 75.944 -2.410 1.027 1.00 1.89 O ATOM 753 NE2 GLN A 50 74.820 -1.896 -0.772 1.00 1.85 N ATOM 0 H GLN A 50 75.947 -7.362 -1.621 1.00 1.37 H new ATOM 0 HA GLN A 50 78.118 -5.727 -0.309 1.00 1.17 H new ATOM 0 HB2 GLN A 50 75.055 -5.543 -0.136 1.00 1.29 H new ATOM 0 HB3 GLN A 50 76.102 -4.858 1.091 1.00 1.29 H new ATOM 0 HG2 GLN A 50 77.313 -3.723 -1.015 1.00 1.28 H new ATOM 0 HG3 GLN A 50 75.776 -4.022 -1.802 1.00 1.28 H new ATOM 0 HE21 GLN A 50 74.575 -2.110 -1.739 1.00 1.85 H new ATOM 0 HE22 GLN A 50 74.415 -1.081 -0.311 1.00 1.85 H new ATOM 762 N ASN A 51 77.806 -7.073 1.844 1.00 1.18 N ATOM 763 CA ASN A 51 77.857 -8.126 2.900 1.00 1.29 C ATOM 764 C ASN A 51 77.904 -7.480 4.288 1.00 1.07 C ATOM 765 O ASN A 51 78.817 -7.720 5.054 1.00 1.45 O ATOM 766 CB ASN A 51 79.145 -8.900 2.624 1.00 1.96 C ATOM 767 CG ASN A 51 79.210 -10.124 3.540 1.00 2.61 C ATOM 768 OD1 ASN A 51 78.222 -10.802 3.738 1.00 3.07 O ATOM 769 ND2 ASN A 51 80.340 -10.437 4.111 1.00 3.29 N ATOM 0 H ASN A 51 78.323 -6.220 2.057 1.00 1.18 H new ATOM 0 HA ASN A 51 76.981 -8.774 2.881 1.00 1.29 H new ATOM 0 HB2 ASN A 51 79.178 -9.211 1.580 1.00 1.96 H new ATOM 0 HB3 ASN A 51 80.010 -8.259 2.793 1.00 1.96 H new ATOM 0 HD21 ASN A 51 80.394 -11.251 4.723 1.00 3.29 H new ATOM 0 HD22 ASN A 51 81.170 -9.868 3.945 1.00 3.29 H new ATOM 776 N PRO A 52 76.911 -6.679 4.562 1.00 1.47 N ATOM 777 CA PRO A 52 76.828 -5.985 5.871 1.00 2.11 C ATOM 778 C PRO A 52 76.453 -6.973 6.979 1.00 1.79 C ATOM 779 O PRO A 52 76.556 -8.173 6.817 1.00 2.07 O ATOM 780 CB PRO A 52 75.719 -4.958 5.660 1.00 2.97 C ATOM 781 CG PRO A 52 74.876 -5.519 4.561 1.00 2.97 C ATOM 782 CD PRO A 52 75.783 -6.348 3.688 1.00 2.03 C ATOM 0 HA PRO A 52 77.771 -5.532 6.177 1.00 2.11 H new ATOM 0 HB2 PRO A 52 75.136 -4.814 6.570 1.00 2.97 H new ATOM 0 HB3 PRO A 52 76.128 -3.986 5.386 1.00 2.97 H new ATOM 0 HG2 PRO A 52 74.069 -6.129 4.967 1.00 2.97 H new ATOM 0 HG3 PRO A 52 74.412 -4.719 3.984 1.00 2.97 H new ATOM 0 HD2 PRO A 52 75.280 -7.246 3.329 1.00 2.03 H new ATOM 0 HD3 PRO A 52 76.109 -5.792 2.809 1.00 2.03 H new ATOM 790 N THR A 53 76.017 -6.477 8.104 1.00 1.42 N ATOM 791 CA THR A 53 75.632 -7.386 9.223 1.00 1.16 C ATOM 792 C THR A 53 74.204 -7.077 9.682 1.00 0.98 C ATOM 793 O THR A 53 73.654 -6.047 9.345 1.00 0.92 O ATOM 794 CB THR A 53 76.634 -7.085 10.340 1.00 1.19 C ATOM 795 OG1 THR A 53 76.305 -5.842 10.946 1.00 1.40 O ATOM 796 CG2 THR A 53 78.046 -7.013 9.757 1.00 1.36 C ATOM 0 H THR A 53 75.910 -5.481 8.298 1.00 1.42 H new ATOM 0 HA THR A 53 75.653 -8.436 8.932 1.00 1.16 H new ATOM 0 HB THR A 53 76.593 -7.877 11.088 1.00 1.19 H new ATOM 0 HG1 THR A 53 76.350 -5.931 11.921 1.00 1.40 H new ATOM 0 HG21 THR A 53 78.758 -6.799 10.554 1.00 1.36 H new ATOM 0 HG22 THR A 53 78.297 -7.967 9.293 1.00 1.36 H new ATOM 0 HG23 THR A 53 78.091 -6.222 9.008 1.00 1.36 H new ATOM 804 N PRO A 54 73.651 -7.983 10.443 1.00 0.99 N ATOM 805 CA PRO A 54 72.270 -7.805 10.957 1.00 1.04 C ATOM 806 C PRO A 54 72.238 -6.713 12.030 1.00 0.93 C ATOM 807 O PRO A 54 71.238 -6.052 12.227 1.00 0.94 O ATOM 808 CB PRO A 54 71.932 -9.170 11.553 1.00 1.19 C ATOM 809 CG PRO A 54 73.255 -9.782 11.887 1.00 1.18 C ATOM 810 CD PRO A 54 74.251 -9.245 10.893 1.00 1.10 C ATOM 0 HA PRO A 54 71.561 -7.495 10.190 1.00 1.04 H new ATOM 0 HB2 PRO A 54 71.308 -9.070 12.441 1.00 1.19 H new ATOM 0 HB3 PRO A 54 71.380 -9.786 10.843 1.00 1.19 H new ATOM 0 HG2 PRO A 54 73.551 -9.529 12.905 1.00 1.18 H new ATOM 0 HG3 PRO A 54 73.202 -10.869 11.831 1.00 1.18 H new ATOM 0 HD2 PRO A 54 75.226 -9.083 11.352 1.00 1.10 H new ATOM 0 HD3 PRO A 54 74.400 -9.936 10.063 1.00 1.10 H new ATOM 818 N GLU A 55 73.326 -6.518 12.724 1.00 0.98 N ATOM 819 CA GLU A 55 73.358 -5.468 13.780 1.00 1.08 C ATOM 820 C GLU A 55 73.438 -4.079 13.140 1.00 0.97 C ATOM 821 O GLU A 55 72.729 -3.167 13.518 1.00 1.01 O ATOM 822 CB GLU A 55 74.622 -5.759 14.589 1.00 1.28 C ATOM 823 CG GLU A 55 74.235 -6.277 15.975 1.00 2.15 C ATOM 824 CD GLU A 55 75.321 -5.897 16.985 1.00 2.57 C ATOM 825 OE1 GLU A 55 76.473 -5.832 16.588 1.00 3.14 O ATOM 826 OE2 GLU A 55 74.982 -5.678 18.135 1.00 2.81 O ATOM 0 H GLU A 55 74.194 -7.041 12.605 1.00 0.98 H new ATOM 0 HA GLU A 55 72.464 -5.480 14.403 1.00 1.08 H new ATOM 0 HB2 GLU A 55 75.235 -6.497 14.072 1.00 1.28 H new ATOM 0 HB3 GLU A 55 75.223 -4.854 14.682 1.00 1.28 H new ATOM 0 HG2 GLU A 55 73.277 -5.854 16.278 1.00 2.15 H new ATOM 0 HG3 GLU A 55 74.111 -7.360 15.949 1.00 2.15 H new ATOM 833 N GLU A 56 74.296 -3.914 12.169 1.00 0.92 N ATOM 834 CA GLU A 56 74.421 -2.585 11.503 1.00 0.94 C ATOM 835 C GLU A 56 73.095 -2.200 10.842 1.00 0.84 C ATOM 836 O GLU A 56 72.837 -1.043 10.572 1.00 0.94 O ATOM 837 CB GLU A 56 75.510 -2.775 10.447 1.00 1.06 C ATOM 838 CG GLU A 56 75.875 -1.419 9.839 1.00 1.60 C ATOM 839 CD GLU A 56 76.020 -1.561 8.323 1.00 1.83 C ATOM 840 OE1 GLU A 56 76.953 -2.220 7.895 1.00 2.50 O ATOM 841 OE2 GLU A 56 75.196 -1.007 7.615 1.00 2.08 O ATOM 0 H GLU A 56 74.915 -4.641 11.809 1.00 0.92 H new ATOM 0 HA GLU A 56 74.668 -1.790 12.207 1.00 0.94 H new ATOM 0 HB2 GLU A 56 76.391 -3.233 10.897 1.00 1.06 H new ATOM 0 HB3 GLU A 56 75.161 -3.453 9.668 1.00 1.06 H new ATOM 0 HG2 GLU A 56 75.105 -0.684 10.074 1.00 1.60 H new ATOM 0 HG3 GLU A 56 76.807 -1.054 10.271 1.00 1.60 H new ATOM 848 N LEU A 57 72.251 -3.161 10.579 1.00 0.73 N ATOM 849 CA LEU A 57 70.942 -2.850 9.935 1.00 0.78 C ATOM 850 C LEU A 57 70.054 -2.056 10.897 1.00 0.80 C ATOM 851 O LEU A 57 69.870 -0.864 10.747 1.00 0.89 O ATOM 852 CB LEU A 57 70.317 -4.213 9.631 1.00 0.85 C ATOM 853 CG LEU A 57 70.878 -4.751 8.314 1.00 0.84 C ATOM 854 CD1 LEU A 57 70.663 -6.264 8.248 1.00 1.30 C ATOM 855 CD2 LEU A 57 70.155 -4.083 7.142 1.00 1.10 C ATOM 0 H LEU A 57 72.411 -4.148 10.782 1.00 0.73 H new ATOM 0 HA LEU A 57 71.058 -2.244 9.036 1.00 0.78 H new ATOM 0 HB2 LEU A 57 70.530 -4.911 10.441 1.00 0.85 H new ATOM 0 HB3 LEU A 57 69.233 -4.121 9.566 1.00 0.85 H new ATOM 0 HG LEU A 57 71.944 -4.532 8.257 1.00 0.84 H new ATOM 0 HD11 LEU A 57 71.063 -6.648 7.309 1.00 1.30 H new ATOM 0 HD12 LEU A 57 71.176 -6.741 9.083 1.00 1.30 H new ATOM 0 HD13 LEU A 57 69.597 -6.483 8.305 1.00 1.30 H new ATOM 0 HD21 LEU A 57 70.554 -4.466 6.203 1.00 1.10 H new ATOM 0 HD22 LEU A 57 69.089 -4.302 7.200 1.00 1.10 H new ATOM 0 HD23 LEU A 57 70.307 -3.005 7.188 1.00 1.10 H new ATOM 867 N GLN A 58 69.502 -2.707 11.884 1.00 0.81 N ATOM 868 CA GLN A 58 68.627 -1.988 12.854 1.00 0.95 C ATOM 869 C GLN A 58 69.291 -0.683 13.302 1.00 0.99 C ATOM 870 O GLN A 58 68.630 0.260 13.688 1.00 1.13 O ATOM 871 CB GLN A 58 68.475 -2.947 14.036 1.00 1.09 C ATOM 872 CG GLN A 58 67.115 -2.728 14.701 1.00 1.25 C ATOM 873 CD GLN A 58 66.027 -3.427 13.883 1.00 1.41 C ATOM 874 OE1 GLN A 58 65.498 -2.808 12.864 1.00 1.97 O flip ATOM 875 NE2 GLN A 58 65.655 -4.546 14.175 1.00 1.74 N flip ATOM 0 H GLN A 58 69.619 -3.705 12.061 1.00 0.81 H new ATOM 0 HA GLN A 58 67.664 -1.719 12.420 1.00 0.95 H new ATOM 0 HB2 GLN A 58 68.562 -3.978 13.694 1.00 1.09 H new ATOM 0 HB3 GLN A 58 69.275 -2.781 14.757 1.00 1.09 H new ATOM 0 HG2 GLN A 58 67.128 -3.120 15.718 1.00 1.25 H new ATOM 0 HG3 GLN A 58 66.901 -1.662 14.773 1.00 1.25 H new ATOM 0 HE21 GLN A 58 66.069 -5.029 14.972 1.00 1.74 H new ATOM 0 HE22 GLN A 58 64.929 -5.002 13.623 1.00 1.74 H new ATOM 884 N GLU A 59 70.594 -0.622 13.255 1.00 0.97 N ATOM 885 CA GLU A 59 71.297 0.623 13.679 1.00 1.14 C ATOM 886 C GLU A 59 71.327 1.631 12.527 1.00 1.11 C ATOM 887 O GLU A 59 70.973 2.782 12.688 1.00 1.18 O ATOM 888 CB GLU A 59 72.714 0.173 14.039 1.00 1.23 C ATOM 889 CG GLU A 59 73.540 1.386 14.471 1.00 1.60 C ATOM 890 CD GLU A 59 73.516 1.504 15.997 1.00 2.19 C ATOM 891 OE1 GLU A 59 74.228 0.751 16.641 1.00 2.75 O ATOM 892 OE2 GLU A 59 72.786 2.345 16.495 1.00 2.77 O ATOM 0 H GLU A 59 71.202 -1.379 12.942 1.00 0.97 H new ATOM 0 HA GLU A 59 70.801 1.115 14.516 1.00 1.14 H new ATOM 0 HB2 GLU A 59 72.680 -0.562 14.843 1.00 1.23 H new ATOM 0 HB3 GLU A 59 73.182 -0.312 13.182 1.00 1.23 H new ATOM 0 HG2 GLU A 59 74.567 1.284 14.120 1.00 1.60 H new ATOM 0 HG3 GLU A 59 73.138 2.293 14.019 1.00 1.60 H new ATOM 899 N MET A 60 71.747 1.208 11.366 1.00 1.11 N ATOM 900 CA MET A 60 71.797 2.143 10.205 1.00 1.18 C ATOM 901 C MET A 60 70.389 2.646 9.871 1.00 1.13 C ATOM 902 O MET A 60 70.192 3.799 9.550 1.00 1.25 O ATOM 903 CB MET A 60 72.361 1.315 9.050 1.00 1.22 C ATOM 904 CG MET A 60 72.666 2.232 7.865 1.00 1.62 C ATOM 905 SD MET A 60 73.550 1.298 6.591 1.00 1.82 S ATOM 906 CE MET A 60 75.227 1.734 7.113 1.00 2.02 C ATOM 0 H MET A 60 72.058 0.256 11.171 1.00 1.11 H new ATOM 0 HA MET A 60 72.408 3.022 10.409 1.00 1.18 H new ATOM 0 HB2 MET A 60 73.268 0.800 9.367 1.00 1.22 H new ATOM 0 HB3 MET A 60 71.645 0.548 8.755 1.00 1.22 H new ATOM 0 HG2 MET A 60 71.740 2.637 7.457 1.00 1.62 H new ATOM 0 HG3 MET A 60 73.268 3.080 8.193 1.00 1.62 H new ATOM 0 HE1 MET A 60 75.948 1.122 6.570 1.00 2.02 H new ATOM 0 HE2 MET A 60 75.412 2.787 6.900 1.00 2.02 H new ATOM 0 HE3 MET A 60 75.333 1.556 8.183 1.00 2.02 H new ATOM 916 N ILE A 61 69.409 1.787 9.948 1.00 1.04 N ATOM 917 CA ILE A 61 68.016 2.217 9.636 1.00 1.11 C ATOM 918 C ILE A 61 67.560 3.276 10.650 1.00 1.23 C ATOM 919 O ILE A 61 67.041 4.313 10.289 1.00 1.40 O ATOM 920 CB ILE A 61 67.179 0.925 9.724 1.00 1.13 C ATOM 921 CG1 ILE A 61 66.768 0.502 8.312 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.916 1.133 10.570 1.00 1.36 C ATOM 923 CD1 ILE A 61 66.963 -1.005 8.152 1.00 1.14 C ATOM 0 H ILE A 61 69.512 0.807 10.213 1.00 1.04 H new ATOM 0 HA ILE A 61 67.916 2.680 8.654 1.00 1.11 H new ATOM 0 HB ILE A 61 67.786 0.154 10.198 1.00 1.13 H new ATOM 0 HG12 ILE A 61 65.726 0.765 8.131 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.365 1.037 7.573 1.00 1.17 H new ATOM 0 HG21 ILE A 61 65.349 0.203 10.612 1.00 1.36 H new ATOM 0 HG22 ILE A 61 66.199 1.431 11.580 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.301 1.913 10.121 1.00 1.36 H new ATOM 0 HD11 ILE A 61 66.670 -1.305 7.146 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.011 -1.256 8.314 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.347 -1.531 8.881 1.00 1.14 H new ATOM 935 N ASP A 62 67.751 3.021 11.916 1.00 1.23 N ATOM 936 CA ASP A 62 67.328 4.009 12.948 1.00 1.43 C ATOM 937 C ASP A 62 67.916 5.388 12.633 1.00 1.48 C ATOM 938 O ASP A 62 67.401 6.404 13.056 1.00 1.67 O ATOM 939 CB ASP A 62 67.893 3.475 14.265 1.00 1.51 C ATOM 940 CG ASP A 62 66.838 2.614 14.960 1.00 1.54 C ATOM 941 OD1 ASP A 62 65.670 2.957 14.875 1.00 2.13 O ATOM 942 OD2 ASP A 62 67.215 1.625 15.567 1.00 1.79 O ATOM 0 H ASP A 62 68.182 2.171 12.280 1.00 1.23 H new ATOM 0 HA ASP A 62 66.245 4.126 12.987 1.00 1.43 H new ATOM 0 HB2 ASP A 62 68.791 2.887 14.076 1.00 1.51 H new ATOM 0 HB3 ASP A 62 68.185 4.303 14.911 1.00 1.51 H new ATOM 947 N GLU A 63 68.989 5.431 11.893 1.00 1.41 N ATOM 948 CA GLU A 63 69.608 6.743 11.553 1.00 1.52 C ATOM 949 C GLU A 63 68.994 7.301 10.265 1.00 1.47 C ATOM 950 O GLU A 63 68.608 8.452 10.197 1.00 1.80 O ATOM 951 CB GLU A 63 71.094 6.442 11.352 1.00 1.55 C ATOM 952 CG GLU A 63 71.926 7.348 12.260 1.00 2.11 C ATOM 953 CD GLU A 63 72.325 8.611 11.494 1.00 2.26 C ATOM 954 OE1 GLU A 63 71.489 9.489 11.364 1.00 2.32 O ATOM 955 OE2 GLU A 63 73.459 8.677 11.052 1.00 2.93 O ATOM 0 H GLU A 63 69.464 4.614 11.509 1.00 1.41 H new ATOM 0 HA GLU A 63 69.445 7.489 12.331 1.00 1.52 H new ATOM 0 HB2 GLU A 63 71.298 5.396 11.579 1.00 1.55 H new ATOM 0 HB3 GLU A 63 71.370 6.601 10.310 1.00 1.55 H new ATOM 0 HG2 GLU A 63 71.354 7.614 13.149 1.00 2.11 H new ATOM 0 HG3 GLU A 63 72.817 6.820 12.601 1.00 2.11 H new ATOM 962 N VAL A 64 68.902 6.495 9.242 1.00 1.33 N ATOM 963 CA VAL A 64 68.313 6.981 7.961 1.00 1.29 C ATOM 964 C VAL A 64 66.784 6.957 8.037 1.00 1.21 C ATOM 965 O VAL A 64 66.105 7.641 7.296 1.00 1.50 O ATOM 966 CB VAL A 64 68.812 6.000 6.899 1.00 1.40 C ATOM 967 CG1 VAL A 64 70.326 5.829 7.030 1.00 1.69 C ATOM 968 CG2 VAL A 64 68.128 4.645 7.098 1.00 1.31 C ATOM 0 H VAL A 64 69.209 5.522 9.238 1.00 1.33 H new ATOM 0 HA VAL A 64 68.603 8.008 7.737 1.00 1.29 H new ATOM 0 HB VAL A 64 68.576 6.387 5.908 1.00 1.40 H new ATOM 0 HG11 VAL A 64 70.680 5.130 6.273 1.00 1.69 H new ATOM 0 HG12 VAL A 64 70.815 6.793 6.890 1.00 1.69 H new ATOM 0 HG13 VAL A 64 70.564 5.442 8.021 1.00 1.69 H new ATOM 0 HG21 VAL A 64 68.482 3.944 6.342 1.00 1.31 H new ATOM 0 HG22 VAL A 64 68.365 4.260 8.090 1.00 1.31 H new ATOM 0 HG23 VAL A 64 67.049 4.765 7.004 1.00 1.31 H new ATOM 978 N ASP A 65 66.236 6.172 8.925 1.00 1.27 N ATOM 979 CA ASP A 65 64.751 6.105 9.045 1.00 1.38 C ATOM 980 C ASP A 65 64.246 7.193 9.996 1.00 2.07 C ATOM 981 O ASP A 65 64.505 7.164 11.183 1.00 2.61 O ATOM 982 CB ASP A 65 64.464 4.716 9.616 1.00 1.38 C ATOM 983 CG ASP A 65 63.065 4.268 9.190 1.00 1.66 C ATOM 984 OD1 ASP A 65 62.484 4.929 8.346 1.00 1.47 O ATOM 985 OD2 ASP A 65 62.597 3.271 9.718 1.00 2.59 O ATOM 0 H ASP A 65 66.752 5.575 9.572 1.00 1.27 H new ATOM 0 HA ASP A 65 64.251 6.265 8.090 1.00 1.38 H new ATOM 0 HB2 ASP A 65 65.209 4.004 9.261 1.00 1.38 H new ATOM 0 HB3 ASP A 65 64.535 4.736 10.703 1.00 1.38 H new ATOM 990 N GLU A 66 63.523 8.151 9.483 1.00 2.65 N ATOM 991 CA GLU A 66 62.999 9.241 10.357 1.00 3.74 C ATOM 992 C GLU A 66 61.734 8.773 11.082 1.00 4.00 C ATOM 993 O GLU A 66 61.097 9.528 11.790 1.00 4.93 O ATOM 994 CB GLU A 66 62.675 10.393 9.404 1.00 4.58 C ATOM 995 CG GLU A 66 63.943 10.813 8.659 1.00 5.25 C ATOM 996 CD GLU A 66 64.170 12.315 8.843 1.00 6.17 C ATOM 997 OE1 GLU A 66 64.584 12.704 9.923 1.00 6.61 O ATOM 998 OE2 GLU A 66 63.928 13.051 7.900 1.00 6.67 O ATOM 0 H GLU A 66 63.272 8.227 8.497 1.00 2.65 H new ATOM 0 HA GLU A 66 63.715 9.536 11.124 1.00 3.74 H new ATOM 0 HB2 GLU A 66 61.908 10.086 8.693 1.00 4.58 H new ATOM 0 HB3 GLU A 66 62.272 11.238 9.962 1.00 4.58 H new ATOM 0 HG2 GLU A 66 64.801 10.256 9.036 1.00 5.25 H new ATOM 0 HG3 GLU A 66 63.850 10.576 7.599 1.00 5.25 H new ATOM 1005 N ASP A 67 61.366 7.533 10.912 1.00 3.32 N ATOM 1006 CA ASP A 67 60.141 7.018 11.591 1.00 3.69 C ATOM 1007 C ASP A 67 60.492 5.822 12.481 1.00 3.25 C ATOM 1008 O ASP A 67 59.762 5.476 13.388 1.00 3.49 O ATOM 1009 CB ASP A 67 59.210 6.589 10.457 1.00 3.68 C ATOM 1010 CG ASP A 67 60.001 5.792 9.417 1.00 3.08 C ATOM 1011 OD1 ASP A 67 60.463 4.714 9.753 1.00 2.33 O ATOM 1012 OD2 ASP A 67 60.131 6.272 8.304 1.00 3.83 O ATOM 0 H ASP A 67 61.859 6.854 10.333 1.00 3.32 H new ATOM 0 HA ASP A 67 59.680 7.767 12.235 1.00 3.69 H new ATOM 0 HB2 ASP A 67 58.395 5.982 10.852 1.00 3.68 H new ATOM 0 HB3 ASP A 67 58.759 7.466 9.992 1.00 3.68 H new ATOM 1017 N GLY A 68 61.605 5.188 12.229 1.00 2.98 N ATOM 1018 CA GLY A 68 62.001 4.017 13.061 1.00 3.17 C ATOM 1019 C GLY A 68 61.050 2.850 12.792 1.00 2.42 C ATOM 1020 O GLY A 68 60.336 2.404 13.668 1.00 3.05 O ATOM 0 H GLY A 68 62.257 5.431 11.483 1.00 2.98 H new ATOM 0 HA2 GLY A 68 63.026 3.725 12.831 1.00 3.17 H new ATOM 0 HA3 GLY A 68 61.975 4.284 14.118 1.00 3.17 H new ATOM 1024 N SER A 69 61.032 2.352 11.585 1.00 1.46 N ATOM 1025 CA SER A 69 60.126 1.212 11.262 1.00 1.52 C ATOM 1026 C SER A 69 60.921 0.056 10.645 1.00 1.64 C ATOM 1027 O SER A 69 60.420 -1.041 10.493 1.00 2.49 O ATOM 1028 CB SER A 69 59.128 1.775 10.251 1.00 2.44 C ATOM 1029 OG SER A 69 59.832 2.487 9.242 1.00 2.71 O ATOM 0 H SER A 69 61.605 2.685 10.809 1.00 1.46 H new ATOM 0 HA SER A 69 59.631 0.816 12.149 1.00 1.52 H new ATOM 0 HB2 SER A 69 58.549 0.966 9.805 1.00 2.44 H new ATOM 0 HB3 SER A 69 58.420 2.435 10.751 1.00 2.44 H new ATOM 0 HG SER A 69 59.722 3.450 9.384 1.00 2.71 H new ATOM 1035 N GLY A 70 62.154 0.292 10.289 1.00 1.28 N ATOM 1036 CA GLY A 70 62.975 -0.792 9.681 1.00 1.43 C ATOM 1037 C GLY A 70 62.495 -1.062 8.254 1.00 1.29 C ATOM 1038 O GLY A 70 62.991 -1.942 7.580 1.00 1.59 O ATOM 0 H GLY A 70 62.628 1.189 10.393 1.00 1.28 H new ATOM 0 HA2 GLY A 70 64.026 -0.505 9.673 1.00 1.43 H new ATOM 0 HA3 GLY A 70 62.897 -1.700 10.279 1.00 1.43 H new ATOM 1042 N THR A 71 61.531 -0.313 7.788 1.00 0.89 N ATOM 1043 CA THR A 71 61.020 -0.533 6.404 1.00 0.79 C ATOM 1044 C THR A 71 61.753 0.376 5.413 1.00 0.76 C ATOM 1045 O THR A 71 61.986 1.539 5.675 1.00 0.83 O ATOM 1046 CB THR A 71 59.536 -0.170 6.470 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.393 1.132 7.018 1.00 1.45 O ATOM 1048 CG2 THR A 71 58.802 -1.182 7.350 1.00 1.08 C ATOM 0 H THR A 71 61.076 0.440 8.305 1.00 0.89 H new ATOM 0 HA THR A 71 61.176 -1.557 6.065 1.00 0.79 H new ATOM 0 HB THR A 71 59.110 -0.189 5.467 1.00 0.84 H new ATOM 0 HG1 THR A 71 59.644 1.118 7.965 1.00 1.45 H new ATOM 0 HG21 THR A 71 57.744 -0.923 7.397 1.00 1.08 H new ATOM 0 HG22 THR A 71 58.913 -2.180 6.927 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.225 -1.165 8.355 1.00 1.08 H new ATOM 1056 N VAL A 72 62.115 -0.148 4.273 1.00 0.73 N ATOM 1057 CA VAL A 72 62.830 0.683 3.262 1.00 0.77 C ATOM 1058 C VAL A 72 62.168 0.523 1.890 1.00 0.80 C ATOM 1059 O VAL A 72 61.876 -0.574 1.455 1.00 1.00 O ATOM 1060 CB VAL A 72 64.256 0.134 3.236 1.00 0.85 C ATOM 1061 CG1 VAL A 72 65.057 0.841 2.140 1.00 1.13 C ATOM 1062 CG2 VAL A 72 64.922 0.381 4.592 1.00 1.13 C ATOM 0 H VAL A 72 61.946 -1.116 3.998 1.00 0.73 H new ATOM 0 HA VAL A 72 62.808 1.745 3.506 1.00 0.77 H new ATOM 0 HB VAL A 72 64.228 -0.936 3.033 1.00 0.85 H new ATOM 0 HG11 VAL A 72 66.074 0.449 2.122 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.584 0.667 1.174 1.00 1.13 H new ATOM 0 HG13 VAL A 72 65.085 1.912 2.343 1.00 1.13 H new ATOM 0 HG21 VAL A 72 65.939 -0.010 4.574 1.00 1.13 H new ATOM 0 HG22 VAL A 72 64.949 1.452 4.795 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.353 -0.122 5.374 1.00 1.13 H new ATOM 1072 N ASP A 73 61.923 1.607 1.206 1.00 0.77 N ATOM 1073 CA ASP A 73 61.276 1.509 -0.134 1.00 0.83 C ATOM 1074 C ASP A 73 62.194 2.087 -1.216 1.00 0.87 C ATOM 1075 O ASP A 73 63.401 1.978 -1.144 1.00 0.87 O ATOM 1076 CB ASP A 73 59.998 2.342 -0.019 1.00 0.85 C ATOM 1077 CG ASP A 73 60.359 3.826 0.061 1.00 1.80 C ATOM 1078 OD1 ASP A 73 60.463 4.447 -0.983 1.00 2.57 O ATOM 1079 OD2 ASP A 73 60.527 4.316 1.166 1.00 2.47 O ATOM 0 H ASP A 73 62.142 2.554 1.516 1.00 0.77 H new ATOM 0 HA ASP A 73 61.069 0.476 -0.414 1.00 0.83 H new ATOM 0 HB2 ASP A 73 59.354 2.160 -0.880 1.00 0.85 H new ATOM 0 HB3 ASP A 73 59.437 2.045 0.867 1.00 0.85 H new ATOM 1084 N PHE A 74 61.626 2.696 -2.220 1.00 0.94 N ATOM 1085 CA PHE A 74 62.457 3.279 -3.313 1.00 0.98 C ATOM 1086 C PHE A 74 63.250 4.485 -2.797 1.00 0.86 C ATOM 1087 O PHE A 74 64.052 5.060 -3.506 1.00 0.83 O ATOM 1088 CB PHE A 74 61.445 3.706 -4.383 1.00 1.12 C ATOM 1089 CG PHE A 74 62.067 4.730 -5.306 1.00 1.33 C ATOM 1090 CD1 PHE A 74 63.295 4.463 -5.922 1.00 2.22 C ATOM 1091 CD2 PHE A 74 61.413 5.944 -5.544 1.00 1.97 C ATOM 1092 CE1 PHE A 74 63.869 5.412 -6.778 1.00 3.01 C ATOM 1093 CE2 PHE A 74 61.987 6.892 -6.400 1.00 2.84 C ATOM 1094 CZ PHE A 74 63.215 6.626 -7.016 1.00 3.18 C ATOM 0 H PHE A 74 60.619 2.816 -2.332 1.00 0.94 H new ATOM 0 HA PHE A 74 63.190 2.572 -3.702 1.00 0.98 H new ATOM 0 HB2 PHE A 74 61.121 2.837 -4.956 1.00 1.12 H new ATOM 0 HB3 PHE A 74 60.557 4.124 -3.909 1.00 1.12 H new ATOM 0 HD1 PHE A 74 63.800 3.526 -5.738 1.00 2.22 H new ATOM 0 HD2 PHE A 74 60.466 6.150 -5.068 1.00 1.97 H new ATOM 0 HE1 PHE A 74 64.816 5.207 -7.254 1.00 3.01 H new ATOM 0 HE2 PHE A 74 61.482 7.829 -6.585 1.00 2.84 H new ATOM 0 HZ PHE A 74 63.658 7.358 -7.675 1.00 3.18 H new ATOM 1104 N ASP A 75 63.032 4.877 -1.571 1.00 0.83 N ATOM 1105 CA ASP A 75 63.776 6.050 -1.024 1.00 0.76 C ATOM 1106 C ASP A 75 64.773 5.601 0.049 1.00 0.69 C ATOM 1107 O ASP A 75 65.972 5.695 -0.127 1.00 0.65 O ATOM 1108 CB ASP A 75 62.699 6.947 -0.413 1.00 0.81 C ATOM 1109 CG ASP A 75 62.436 8.132 -1.343 1.00 0.99 C ATOM 1110 OD1 ASP A 75 62.281 7.905 -2.531 1.00 1.49 O ATOM 1111 OD2 ASP A 75 62.394 9.248 -0.852 1.00 1.57 O ATOM 0 H ASP A 75 62.374 4.439 -0.926 1.00 0.83 H new ATOM 0 HA ASP A 75 64.354 6.565 -1.792 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.781 6.379 -0.261 1.00 0.81 H new ATOM 0 HB3 ASP A 75 63.019 7.303 0.566 1.00 0.81 H new ATOM 1116 N GLU A 76 64.289 5.120 1.160 1.00 0.77 N ATOM 1117 CA GLU A 76 65.208 4.673 2.246 1.00 0.78 C ATOM 1118 C GLU A 76 66.264 3.710 1.696 1.00 0.70 C ATOM 1119 O GLU A 76 67.371 3.638 2.195 1.00 0.70 O ATOM 1120 CB GLU A 76 64.308 3.961 3.256 1.00 0.95 C ATOM 1121 CG GLU A 76 63.131 4.869 3.621 1.00 1.51 C ATOM 1122 CD GLU A 76 62.682 4.573 5.053 1.00 1.45 C ATOM 1123 OE1 GLU A 76 63.520 4.173 5.844 1.00 1.94 O ATOM 1124 OE2 GLU A 76 61.508 4.750 5.333 1.00 1.72 O ATOM 0 H GLU A 76 63.295 5.017 1.364 1.00 0.77 H new ATOM 0 HA GLU A 76 65.749 5.507 2.694 1.00 0.78 H new ATOM 0 HB2 GLU A 76 63.942 3.024 2.836 1.00 0.95 H new ATOM 0 HB3 GLU A 76 64.877 3.708 4.151 1.00 0.95 H new ATOM 0 HG2 GLU A 76 63.423 5.915 3.529 1.00 1.51 H new ATOM 0 HG3 GLU A 76 62.305 4.707 2.929 1.00 1.51 H new ATOM 1131 N PHE A 77 65.935 2.965 0.677 1.00 0.72 N ATOM 1132 CA PHE A 77 66.924 2.005 0.104 1.00 0.73 C ATOM 1133 C PHE A 77 68.088 2.761 -0.545 1.00 0.67 C ATOM 1134 O PHE A 77 69.227 2.624 -0.146 1.00 0.69 O ATOM 1135 CB PHE A 77 66.144 1.214 -0.949 1.00 0.84 C ATOM 1136 CG PHE A 77 66.862 -0.080 -1.269 1.00 0.97 C ATOM 1137 CD1 PHE A 77 68.153 -0.319 -0.776 1.00 1.83 C ATOM 1138 CD2 PHE A 77 66.232 -1.044 -2.066 1.00 1.32 C ATOM 1139 CE1 PHE A 77 68.808 -1.518 -1.077 1.00 2.03 C ATOM 1140 CE2 PHE A 77 66.888 -2.243 -2.369 1.00 1.48 C ATOM 1141 CZ PHE A 77 68.177 -2.480 -1.874 1.00 1.46 C ATOM 0 H PHE A 77 65.025 2.978 0.216 1.00 0.72 H new ATOM 0 HA PHE A 77 67.356 1.356 0.866 1.00 0.73 H new ATOM 0 HB2 PHE A 77 65.140 1.000 -0.584 1.00 0.84 H new ATOM 0 HB3 PHE A 77 66.034 1.811 -1.855 1.00 0.84 H new ATOM 0 HD1 PHE A 77 68.642 0.424 -0.163 1.00 1.83 H new ATOM 0 HD2 PHE A 77 65.238 -0.862 -2.448 1.00 1.32 H new ATOM 0 HE1 PHE A 77 69.801 -1.701 -0.694 1.00 2.03 H new ATOM 0 HE2 PHE A 77 66.401 -2.985 -2.984 1.00 1.48 H new ATOM 0 HZ PHE A 77 68.684 -3.405 -2.107 1.00 1.46 H new ATOM 1151 N LEU A 78 67.810 3.553 -1.544 1.00 0.66 N ATOM 1152 CA LEU A 78 68.902 4.311 -2.221 1.00 0.68 C ATOM 1153 C LEU A 78 69.586 5.262 -1.234 1.00 0.62 C ATOM 1154 O LEU A 78 70.769 5.516 -1.326 1.00 0.64 O ATOM 1155 CB LEU A 78 68.205 5.100 -3.332 1.00 0.77 C ATOM 1156 CG LEU A 78 67.470 4.134 -4.263 1.00 0.96 C ATOM 1157 CD1 LEU A 78 67.044 4.872 -5.533 1.00 1.55 C ATOM 1158 CD2 LEU A 78 68.400 2.976 -4.637 1.00 1.41 C ATOM 0 H LEU A 78 66.875 3.708 -1.921 1.00 0.66 H new ATOM 0 HA LEU A 78 69.678 3.653 -2.611 1.00 0.68 H new ATOM 0 HB2 LEU A 78 67.501 5.811 -2.900 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.937 5.678 -3.896 1.00 0.77 H new ATOM 0 HG LEU A 78 66.588 3.744 -3.755 1.00 0.96 H new ATOM 0 HD11 LEU A 78 66.520 4.183 -6.196 1.00 1.55 H new ATOM 0 HD12 LEU A 78 66.381 5.696 -5.270 1.00 1.55 H new ATOM 0 HD13 LEU A 78 67.926 5.263 -6.040 1.00 1.55 H new ATOM 0 HD21 LEU A 78 67.876 2.288 -5.300 1.00 1.41 H new ATOM 0 HD22 LEU A 78 69.282 3.367 -5.144 1.00 1.41 H new ATOM 0 HD23 LEU A 78 68.705 2.448 -3.734 1.00 1.41 H new ATOM 1170 N VAL A 79 68.852 5.788 -0.295 1.00 0.59 N ATOM 1171 CA VAL A 79 69.467 6.724 0.692 1.00 0.61 C ATOM 1172 C VAL A 79 70.361 5.960 1.672 1.00 0.63 C ATOM 1173 O VAL A 79 71.533 6.249 1.814 1.00 0.68 O ATOM 1174 CB VAL A 79 68.285 7.355 1.427 1.00 0.63 C ATOM 1175 CG1 VAL A 79 68.791 8.095 2.666 1.00 0.73 C ATOM 1176 CG2 VAL A 79 67.577 8.344 0.498 1.00 0.70 C ATOM 0 H VAL A 79 67.855 5.613 -0.166 1.00 0.59 H new ATOM 0 HA VAL A 79 70.097 7.471 0.210 1.00 0.61 H new ATOM 0 HB VAL A 79 67.587 6.575 1.729 1.00 0.63 H new ATOM 0 HG11 VAL A 79 67.948 8.545 3.190 1.00 0.73 H new ATOM 0 HG12 VAL A 79 69.297 7.392 3.328 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.489 8.876 2.364 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.734 8.795 1.021 1.00 0.70 H new ATOM 0 HG22 VAL A 79 68.276 9.124 0.196 1.00 0.70 H new ATOM 0 HG23 VAL A 79 67.216 7.818 -0.386 1.00 0.70 H new ATOM 1186 N MET A 80 69.817 4.989 2.353 1.00 0.65 N ATOM 1187 CA MET A 80 70.636 4.212 3.328 1.00 0.72 C ATOM 1188 C MET A 80 71.820 3.541 2.626 1.00 0.71 C ATOM 1189 O MET A 80 72.892 3.418 3.183 1.00 0.76 O ATOM 1190 CB MET A 80 69.682 3.159 3.894 1.00 0.80 C ATOM 1191 CG MET A 80 70.417 2.303 4.928 1.00 1.12 C ATOM 1192 SD MET A 80 71.042 0.801 4.134 1.00 2.17 S ATOM 1193 CE MET A 80 69.551 -0.203 4.341 1.00 2.77 C ATOM 0 H MET A 80 68.842 4.700 2.277 1.00 0.65 H new ATOM 0 HA MET A 80 71.056 4.848 4.107 1.00 0.72 H new ATOM 0 HB2 MET A 80 68.821 3.644 4.354 1.00 0.80 H new ATOM 0 HB3 MET A 80 69.301 2.529 3.090 1.00 0.80 H new ATOM 0 HG2 MET A 80 71.242 2.867 5.363 1.00 1.12 H new ATOM 0 HG3 MET A 80 69.744 2.042 5.745 1.00 1.12 H new ATOM 0 HE1 MET A 80 69.716 -1.192 3.913 1.00 2.77 H new ATOM 0 HE2 MET A 80 69.322 -0.300 5.402 1.00 2.77 H new ATOM 0 HE3 MET A 80 68.715 0.277 3.832 1.00 2.77 H new ATOM 1203 N MET A 81 71.640 3.100 1.410 1.00 0.69 N ATOM 1204 CA MET A 81 72.767 2.437 0.692 1.00 0.74 C ATOM 1205 C MET A 81 73.806 3.475 0.256 1.00 0.75 C ATOM 1206 O MET A 81 74.990 3.203 0.220 1.00 0.82 O ATOM 1207 CB MET A 81 72.125 1.755 -0.522 1.00 0.73 C ATOM 1208 CG MET A 81 71.846 2.784 -1.622 1.00 0.89 C ATOM 1209 SD MET A 81 71.401 1.921 -3.149 1.00 1.41 S ATOM 1210 CE MET A 81 72.854 0.844 -3.231 1.00 1.21 C ATOM 0 H MET A 81 70.768 3.169 0.886 1.00 0.69 H new ATOM 0 HA MET A 81 73.292 1.720 1.322 1.00 0.74 H new ATOM 0 HB2 MET A 81 72.786 0.976 -0.902 1.00 0.73 H new ATOM 0 HB3 MET A 81 71.196 1.268 -0.225 1.00 0.73 H new ATOM 0 HG2 MET A 81 71.038 3.449 -1.318 1.00 0.89 H new ATOM 0 HG3 MET A 81 72.726 3.406 -1.786 1.00 0.89 H new ATOM 0 HE1 MET A 81 73.287 0.892 -4.230 1.00 1.21 H new ATOM 0 HE2 MET A 81 73.592 1.173 -2.500 1.00 1.21 H new ATOM 0 HE3 MET A 81 72.559 -0.182 -3.012 1.00 1.21 H new ATOM 1220 N VAL A 82 73.377 4.663 -0.073 1.00 0.72 N ATOM 1221 CA VAL A 82 74.347 5.713 -0.501 1.00 0.78 C ATOM 1222 C VAL A 82 75.376 5.961 0.607 1.00 0.81 C ATOM 1223 O VAL A 82 76.554 6.110 0.351 1.00 0.93 O ATOM 1224 CB VAL A 82 73.498 6.965 -0.744 1.00 0.80 C ATOM 1225 CG1 VAL A 82 74.392 8.208 -0.727 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.812 6.855 -2.107 1.00 1.36 C ATOM 0 H VAL A 82 72.399 4.952 -0.064 1.00 0.72 H new ATOM 0 HA VAL A 82 74.905 5.425 -1.392 1.00 0.78 H new ATOM 0 HB VAL A 82 72.747 7.049 0.041 1.00 0.80 H new ATOM 0 HG11 VAL A 82 73.784 9.096 -0.900 1.00 1.08 H new ATOM 0 HG12 VAL A 82 74.884 8.289 0.242 1.00 1.08 H new ATOM 0 HG13 VAL A 82 75.145 8.125 -1.511 1.00 1.08 H new ATOM 0 HG21 VAL A 82 72.207 7.745 -2.283 1.00 1.36 H new ATOM 0 HG22 VAL A 82 73.567 6.769 -2.888 1.00 1.36 H new ATOM 0 HG23 VAL A 82 72.172 5.972 -2.122 1.00 1.36 H new ATOM 1236 N ARG A 83 74.939 6.007 1.835 1.00 0.79 N ATOM 1237 CA ARG A 83 75.894 6.244 2.955 1.00 0.85 C ATOM 1238 C ARG A 83 76.746 4.991 3.192 1.00 0.90 C ATOM 1239 O ARG A 83 77.836 5.061 3.722 1.00 1.00 O ATOM 1240 CB ARG A 83 75.009 6.568 4.168 1.00 0.87 C ATOM 1241 CG ARG A 83 74.645 5.285 4.914 1.00 1.07 C ATOM 1242 CD ARG A 83 73.517 5.570 5.909 1.00 0.92 C ATOM 1243 NE ARG A 83 74.044 6.655 6.782 1.00 1.62 N ATOM 1244 CZ ARG A 83 75.056 6.422 7.573 1.00 1.83 C ATOM 1245 NH1 ARG A 83 75.062 5.358 8.328 1.00 2.49 N ATOM 1246 NH2 ARG A 83 76.061 7.253 7.607 1.00 2.14 N ATOM 0 H ARG A 83 73.964 5.891 2.112 1.00 0.79 H new ATOM 0 HA ARG A 83 76.594 7.054 2.751 1.00 0.85 H new ATOM 0 HB2 ARG A 83 75.533 7.250 4.837 1.00 0.87 H new ATOM 0 HB3 ARG A 83 74.102 7.076 3.840 1.00 0.87 H new ATOM 0 HG2 ARG A 83 74.333 4.517 4.206 1.00 1.07 H new ATOM 0 HG3 ARG A 83 75.518 4.898 5.440 1.00 1.07 H new ATOM 0 HD2 ARG A 83 72.607 5.882 5.396 1.00 0.92 H new ATOM 0 HD3 ARG A 83 73.268 4.682 6.489 1.00 0.92 H new ATOM 0 HE ARG A 83 73.614 7.580 6.762 1.00 1.62 H new ATOM 0 HH11 ARG A 83 74.276 4.708 8.300 1.00 2.49 H new ATOM 0 HH12 ARG A 83 75.853 5.176 8.946 1.00 2.49 H new ATOM 0 HH21 ARG A 83 76.056 8.084 7.016 1.00 2.14 H new ATOM 0 HH22 ARG A 83 76.852 7.072 8.225 1.00 2.14 H new ATOM 1260 N SER A 84 76.253 3.848 2.801 1.00 0.92 N ATOM 1261 CA SER A 84 77.031 2.591 3.002 1.00 1.01 C ATOM 1262 C SER A 84 78.110 2.458 1.923 1.00 1.06 C ATOM 1263 O SER A 84 79.194 1.970 2.175 1.00 1.38 O ATOM 1264 CB SER A 84 76.005 1.467 2.874 1.00 1.04 C ATOM 1265 OG SER A 84 75.247 1.385 4.074 1.00 1.52 O ATOM 0 H SER A 84 75.345 3.729 2.351 1.00 0.92 H new ATOM 0 HA SER A 84 77.541 2.570 3.965 1.00 1.01 H new ATOM 0 HB2 SER A 84 75.346 1.655 2.026 1.00 1.04 H new ATOM 0 HB3 SER A 84 76.508 0.519 2.683 1.00 1.04 H new ATOM 0 HG SER A 84 74.447 1.946 3.995 1.00 1.52 H new ATOM 1271 N MET A 85 77.822 2.888 0.725 1.00 0.00 N ATOM 1272 CA MET A 85 78.833 2.786 -0.368 1.00 0.00 C ATOM 1273 C MET A 85 80.215 3.185 0.154 1.00 0.00 C ATOM 1274 O MET A 85 81.145 2.404 0.132 1.00 0.00 O ATOM 1275 CB MET A 85 78.358 3.767 -1.440 1.00 0.00 C ATOM 1276 CG MET A 85 76.944 3.391 -1.883 1.00 0.00 C ATOM 1277 SD MET A 85 76.829 3.494 -3.686 1.00 0.00 S ATOM 1278 CE MET A 85 75.252 4.377 -3.763 1.00 0.00 C ATOM 0 H MET A 85 76.931 3.305 0.455 1.00 0.00 H new ATOM 0 HA MET A 85 78.922 1.772 -0.757 1.00 0.00 H new ATOM 0 HB2 MET A 85 78.370 4.784 -1.048 1.00 0.00 H new ATOM 0 HB3 MET A 85 79.036 3.746 -2.293 1.00 0.00 H new ATOM 0 HG2 MET A 85 76.703 2.381 -1.550 1.00 0.00 H new ATOM 0 HG3 MET A 85 76.217 4.060 -1.423 1.00 0.00 H new ATOM 0 HE1 MET A 85 74.825 4.273 -4.761 1.00 0.00 H new ATOM 0 HE2 MET A 85 74.564 3.958 -3.029 1.00 0.00 H new ATOM 0 HE3 MET A 85 75.415 5.433 -3.546 1.00 0.00 H new ATOM 1288 N LYS A 86 80.355 4.394 0.625 1.00 0.00 N ATOM 1289 CA LYS A 86 81.677 4.842 1.150 1.00 0.00 C ATOM 1290 C LYS A 86 82.802 4.399 0.208 1.00 0.00 C ATOM 1291 O LYS A 86 83.135 5.083 -0.739 1.00 0.00 O ATOM 1292 CB LYS A 86 81.813 4.161 2.513 1.00 0.00 C ATOM 1293 CG LYS A 86 83.200 4.447 3.091 1.00 0.00 C ATOM 1294 CD LYS A 86 83.064 4.940 4.533 1.00 0.00 C ATOM 1295 CE LYS A 86 84.449 5.277 5.087 1.00 0.00 C ATOM 1296 NZ LYS A 86 84.189 6.029 6.345 1.00 0.00 N ATOM 0 H LYS A 86 79.612 5.091 0.669 1.00 0.00 H new ATOM 0 HA LYS A 86 81.744 5.927 1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 86 81.042 4.526 3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 86 81.665 3.086 2.411 1.00 0.00 H new ATOM 0 HG2 LYS A 86 83.811 3.545 3.061 1.00 0.00 H new ATOM 0 HG3 LYS A 86 83.709 5.197 2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 86 82.422 5.820 4.569 1.00 0.00 H new ATOM 0 HD3 LYS A 86 82.591 4.174 5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 86 85.027 4.373 5.280 1.00 0.00 H new ATOM 0 HE3 LYS A 86 85.022 5.877 4.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 85.094 6.295 6.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 83.643 6.887 6.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 83.649 5.431 7.002 1.00 0.00 H new ATOM 1310 N ASP A 87 83.390 3.259 0.456 1.00 0.00 N ATOM 1311 CA ASP A 87 84.489 2.779 -0.430 1.00 0.00 C ATOM 1312 C ASP A 87 85.569 3.856 -0.565 1.00 0.00 C ATOM 1313 O ASP A 87 85.763 4.425 -1.621 1.00 0.00 O ATOM 1314 CB ASP A 87 83.824 2.514 -1.781 1.00 0.00 C ATOM 1315 CG ASP A 87 84.740 1.640 -2.640 1.00 0.00 C ATOM 1316 OD1 ASP A 87 85.925 1.925 -2.686 1.00 0.00 O ATOM 1317 OD2 ASP A 87 84.239 0.701 -3.237 1.00 0.00 O ATOM 0 H ASP A 87 83.157 2.640 1.233 1.00 0.00 H new ATOM 0 HA ASP A 87 84.977 1.888 -0.035 1.00 0.00 H new ATOM 0 HB2 ASP A 87 82.864 2.019 -1.635 1.00 0.00 H new ATOM 0 HB3 ASP A 87 83.622 3.457 -2.290 1.00 0.00 H new ATOM 1322 N ASP A 88 86.275 4.137 0.495 1.00 0.00 N ATOM 1323 CA ASP A 88 87.343 5.176 0.427 1.00 0.00 C ATOM 1324 C ASP A 88 86.756 6.510 -0.043 1.00 0.00 C ATOM 1325 O ASP A 88 86.958 6.926 -1.167 1.00 0.00 O ATOM 1326 CB ASP A 88 88.348 4.644 -0.596 1.00 0.00 C ATOM 1327 CG ASP A 88 89.418 3.820 0.121 1.00 0.00 C ATOM 1328 OD1 ASP A 88 89.082 3.165 1.093 1.00 0.00 O ATOM 1329 OD2 ASP A 88 90.557 3.859 -0.315 1.00 0.00 O ATOM 0 H ASP A 88 86.159 3.693 1.406 1.00 0.00 H new ATOM 0 HA ASP A 88 87.805 5.357 1.398 1.00 0.00 H new ATOM 0 HB2 ASP A 88 87.837 4.030 -1.338 1.00 0.00 H new ATOM 0 HB3 ASP A 88 88.811 5.473 -1.132 1.00 0.00 H new ATOM 1334 N SER A 89 86.031 7.183 0.807 1.00 0.00 N ATOM 1335 CA SER A 89 85.434 8.489 0.408 1.00 0.00 C ATOM 1336 C SER A 89 85.271 9.394 1.632 1.00 0.00 C ATOM 1337 O SER A 89 86.282 9.799 2.183 1.00 0.00 O ATOM 1338 CB SER A 89 84.069 8.137 -0.183 1.00 0.00 C ATOM 1339 OG SER A 89 83.302 7.440 0.790 1.00 0.00 O ATOM 1340 OXT SER A 89 84.140 9.665 1.997 1.00 0.00 O ATOM 0 H SER A 89 85.826 6.885 1.761 1.00 0.00 H new ATOM 0 HA SER A 89 86.060 9.028 -0.303 1.00 0.00 H new ATOM 0 HB2 SER A 89 83.549 9.044 -0.492 1.00 0.00 H new ATOM 0 HB3 SER A 89 84.193 7.522 -1.074 1.00 0.00 H new ATOM 0 HG SER A 89 83.127 8.030 1.553 1.00 0.00 H new TER 1346 SER A 89 HETATM 1347 CA CA A 90 61.286 3.686 7.291 1.00 1.15 CA