USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot -75:sc= 1.64 USER MOD Set 1.2: A 57 SER OG : rot -24:sc= 0.416 USER MOD Set 2.1: A 22 THR OG1 : rot -170:sc= 0.166 USER MOD Set 2.2: A 25 ASN : amide:sc= 0 X(o=0.17,f=0.23) USER MOD Set 3.1: A 7 THR OG1 : rot -174:sc= 0.296 USER MOD Set 3.2: A 9 THR OG1 : rot -1:sc= 0.403 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -119:sc= 1.85 (180deg=-0.0152) USER MOD Set 4.2: A 12 THR OG1 : rot 180:sc= 1.04 USER MOD Single : A 1 MET CE :methyl -164:sc= 0 (180deg=-0.192) USER MOD Single : A 1 MET N :NH3+ -164:sc= 2.48 (180deg=2.45) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= 1.21 (180deg=-0.0748!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= 2.27 (180deg=0.542) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.357 K(o=-0.36,f=-0.91) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0431 X(o=-0.043,f=-0.19) USER MOD Single : A 41 GLN : amide:sc= 0.739 K(o=0.74,f=-2.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.332 K(o=-0.33,f=-1.9) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.7 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.309 K(o=0.31,f=-6.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 85:sc= 1.26 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.532 -7.178 -5.191 1.00 9.67 N ATOM 2 CA MET A 1 11.565 -7.331 -3.663 1.00 10.38 C ATOM 3 C MET A 1 10.199 -7.616 -3.086 1.00 9.62 C ATOM 4 O MET A 1 9.188 -7.323 -3.758 1.00 9.62 O ATOM 5 CB MET A 1 12.170 -6.097 -2.994 1.00 13.77 C ATOM 6 CG MET A 1 11.412 -4.698 -2.858 1.00 16.29 C ATOM 7 SD MET A 1 12.502 -3.543 -1.984 1.00 17.17 S ATOM 8 CE MET A 1 11.186 -2.259 -2.039 1.00 16.11 C ATOM 0 H1 MET A 1 12.498 -7.255 -5.569 1.00 9.67 H new ATOM 0 H2 MET A 1 10.939 -7.927 -5.602 1.00 9.67 H new ATOM 0 H3 MET A 1 11.137 -6.248 -5.438 1.00 9.67 H new ATOM 0 HA MET A 1 12.200 -8.191 -3.453 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.437 -6.399 -1.981 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.101 -5.890 -3.521 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.156 -4.307 -3.843 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.477 -4.824 -2.312 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.620 -1.283 -1.822 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.735 -2.243 -3.031 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.422 -2.489 -1.297 1.00 16.11 H new ATOM 20 N GLN A 2 10.193 -8.110 -1.837 1.00 9.27 N ATOM 21 CA GLN A 2 9.007 -8.582 -1.221 1.00 9.07 C ATOM 22 C GLN A 2 8.507 -7.661 -0.128 1.00 8.72 C ATOM 23 O GLN A 2 9.246 -6.967 0.607 1.00 8.22 O ATOM 24 CB GLN A 2 9.171 -9.974 -0.682 1.00 14.46 C ATOM 25 CG GLN A 2 7.797 -10.584 -0.163 1.00 17.01 C ATOM 26 CD GLN A 2 7.900 -12.117 -0.021 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.126 -12.623 1.082 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.846 -12.797 -1.167 1.00 19.49 N ATOM 0 H GLN A 2 11.025 -8.180 -1.252 1.00 9.27 H new ATOM 0 HA GLN A 2 8.255 -8.599 -2.010 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.581 -10.617 -1.461 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.893 -9.963 0.135 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.537 -10.141 0.799 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.996 -10.331 -0.857 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.654 -12.308 -2.041 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.997 -13.806 -1.169 1.00 19.49 H new ATOM 37 N ILE A 3 7.176 -7.639 0.019 1.00 5.87 N ATOM 38 CA ILE A 3 6.476 -6.900 1.043 1.00 5.07 C ATOM 39 C ILE A 3 5.133 -7.518 1.320 1.00 4.01 C ATOM 40 O ILE A 3 4.613 -8.338 0.519 1.00 4.61 O ATOM 41 CB ILE A 3 6.245 -5.372 0.814 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.725 -5.142 -0.616 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.529 -4.524 1.090 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.203 -3.655 -0.660 1.00 10.83 C ATOM 0 H ILE A 3 6.549 -8.156 -0.598 1.00 5.87 H new ATOM 0 HA ILE A 3 7.170 -6.969 1.881 1.00 5.07 H new ATOM 0 HB ILE A 3 5.498 -5.033 1.532 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.517 -5.298 -1.348 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.925 -5.843 -0.857 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.313 -3.470 0.916 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.842 -4.664 2.125 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.328 -4.846 0.422 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.820 -3.433 -1.656 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.406 -3.527 0.072 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.022 -2.975 -0.427 1.00 10.83 H new ATOM 56 N PHE A 4 4.529 -7.200 2.462 1.00 4.55 N ATOM 57 CA PHE A 4 3.295 -7.786 2.959 1.00 4.68 C ATOM 58 C PHE A 4 2.262 -6.720 3.292 1.00 5.30 C ATOM 59 O PHE A 4 2.590 -5.610 3.792 1.00 5.58 O ATOM 60 CB PHE A 4 3.591 -8.521 4.354 1.00 4.83 C ATOM 61 CG PHE A 4 4.666 -9.486 4.095 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.462 -10.675 3.432 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.871 -9.316 4.725 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.414 -11.662 3.261 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.929 -10.209 4.530 1.00 10.61 C ATOM 66 CZ PHE A 4 6.676 -11.377 3.776 1.00 8.90 C ATOM 0 H PHE A 4 4.907 -6.493 3.093 1.00 4.55 H new ATOM 0 HA PHE A 4 2.927 -8.457 2.183 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.891 -7.801 5.116 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.698 -9.025 4.725 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.482 -10.850 3.013 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.006 -8.473 5.387 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.194 -12.593 2.761 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.908 -10.013 4.942 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.485 -12.069 3.594 1.00 8.90 H new ATOM 76 N VAL A 5 0.965 -6.972 3.025 1.00 4.44 N ATOM 77 CA VAL A 5 -0.078 -5.950 3.216 1.00 3.87 C ATOM 78 C VAL A 5 -1.132 -6.559 4.143 1.00 4.93 C ATOM 79 O VAL A 5 -1.659 -7.624 3.885 1.00 6.84 O ATOM 80 CB VAL A 5 -0.789 -5.510 1.935 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.052 -4.560 2.110 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.241 -4.744 1.106 1.00 9.13 C ATOM 0 H VAL A 5 0.619 -7.867 2.679 1.00 4.44 H new ATOM 0 HA VAL A 5 0.413 -5.062 3.615 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.176 -6.422 1.480 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.465 -4.320 1.130 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.808 -5.067 2.709 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.749 -3.641 2.611 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.218 -4.407 0.177 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.594 -3.881 1.671 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.083 -5.397 0.878 1.00 9.13 H new ATOM 92 N LYS A 6 -1.458 -5.858 5.284 1.00 6.04 N ATOM 93 CA LYS A 6 -2.381 -6.341 6.306 1.00 6.12 C ATOM 94 C LYS A 6 -3.719 -5.515 6.146 1.00 6.57 C ATOM 95 O LYS A 6 -3.742 -4.299 6.290 1.00 5.76 O ATOM 96 CB LYS A 6 -1.786 -6.144 7.713 1.00 7.45 C ATOM 97 CG LYS A 6 -2.662 -6.591 8.887 1.00 11.12 C ATOM 98 CD LYS A 6 -3.131 -8.070 8.854 1.00 14.54 C ATOM 99 CE LYS A 6 -2.022 -9.025 9.126 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.568 -10.346 9.087 1.00 20.55 N ATOM 0 H LYS A 6 -1.070 -4.939 5.495 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.568 -7.408 6.184 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.842 -6.686 7.764 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.554 -5.087 7.842 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.110 -6.425 9.812 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.543 -5.951 8.923 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -3.920 -8.214 9.592 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -3.564 -8.289 7.878 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.232 -8.915 8.383 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.574 -8.824 10.099 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.439 -10.802 10.013 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -3.583 -10.296 8.864 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -2.080 -10.902 8.356 1.00 20.55 H new ATOM 114 N THR A 7 -4.787 -6.225 5.740 1.00 7.41 N ATOM 115 CA THR A 7 -6.103 -5.725 5.454 1.00 7.48 C ATOM 116 C THR A 7 -7.034 -5.704 6.671 1.00 8.75 C ATOM 117 O THR A 7 -6.764 -6.174 7.796 1.00 8.58 O ATOM 118 CB THR A 7 -6.797 -6.516 4.343 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.274 -7.843 4.679 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.849 -6.843 3.240 1.00 9.17 C ATOM 0 H THR A 7 -4.727 -7.233 5.600 1.00 7.41 H new ATOM 0 HA THR A 7 -5.928 -4.699 5.132 1.00 7.48 H new ATOM 0 HB THR A 7 -7.623 -5.845 4.106 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.612 -8.283 3.871 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.371 -7.405 2.466 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.454 -5.921 2.814 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.028 -7.443 3.632 1.00 9.17 H new ATOM 128 N LEU A 8 -8.282 -5.133 6.519 1.00 9.84 N ATOM 129 CA LEU A 8 -9.230 -4.970 7.599 1.00 14.15 C ATOM 130 C LEU A 8 -9.974 -6.212 7.792 1.00 17.37 C ATOM 131 O LEU A 8 -10.806 -6.319 8.661 1.00 17.01 O ATOM 132 CB LEU A 8 -10.158 -3.821 7.322 1.00 16.63 C ATOM 133 CG LEU A 8 -9.366 -2.553 7.028 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.370 -1.382 6.891 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.352 -2.325 8.143 1.00 18.59 C ATOM 0 H LEU A 8 -8.624 -4.783 5.624 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.688 -4.742 8.517 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.800 -4.061 6.474 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.811 -3.658 8.180 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.806 -2.635 6.097 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.828 -0.460 6.680 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.063 -1.590 6.076 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.927 -1.270 7.821 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.783 -1.419 7.937 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.874 -2.217 9.094 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.673 -3.176 8.197 1.00 18.59 H new ATOM 147 N THR A 9 -9.806 -7.210 6.926 1.00 18.33 N ATOM 148 CA THR A 9 -10.281 -8.561 7.224 1.00 19.24 C ATOM 149 C THR A 9 -9.210 -9.456 7.757 1.00 19.48 C ATOM 150 O THR A 9 -9.481 -10.624 7.916 1.00 23.14 O ATOM 151 CB THR A 9 -10.761 -9.235 5.914 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.831 -9.263 4.872 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.046 -8.543 5.453 1.00 19.70 C ATOM 0 H THR A 9 -9.349 -7.111 6.020 1.00 18.33 H new ATOM 0 HA THR A 9 -11.068 -8.442 7.969 1.00 19.24 H new ATOM 0 HB THR A 9 -10.926 -10.284 6.158 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.007 -8.816 5.157 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.398 -9.006 4.531 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.810 -8.643 6.224 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.847 -7.486 5.275 1.00 19.70 H new ATOM 161 N GLY A 10 -8.036 -8.958 8.175 1.00 19.43 N ATOM 162 CA GLY A 10 -6.989 -9.793 8.812 1.00 18.74 C ATOM 163 C GLY A 10 -6.157 -10.549 7.877 1.00 17.62 C ATOM 164 O GLY A 10 -5.239 -11.219 8.350 1.00 19.74 O ATOM 0 H GLY A 10 -7.781 -7.975 8.085 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.345 -9.149 9.411 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.468 -10.492 9.498 1.00 18.74 H new ATOM 168 N LYS A 11 -6.294 -10.470 6.522 1.00 13.56 N ATOM 169 CA LYS A 11 -5.522 -11.120 5.498 1.00 11.91 C ATOM 170 C LYS A 11 -4.134 -10.524 5.431 1.00 10.18 C ATOM 171 O LYS A 11 -3.972 -9.328 5.674 1.00 9.10 O ATOM 172 CB LYS A 11 -6.183 -10.998 4.123 1.00 13.43 C ATOM 173 CG LYS A 11 -5.493 -11.759 2.917 1.00 16.69 C ATOM 174 CD LYS A 11 -6.282 -11.611 1.586 1.00 17.92 C ATOM 175 CE LYS A 11 -7.728 -12.126 1.645 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.229 -12.317 0.262 1.00 21.93 N ATOM 0 H LYS A 11 -7.025 -9.887 6.113 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.464 -12.176 5.761 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.208 -11.359 4.208 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.238 -9.940 3.867 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.482 -11.374 2.780 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.401 -12.816 3.165 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.295 -10.559 1.301 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -5.750 -12.148 0.801 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.771 -13.067 2.194 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.359 -11.416 2.179 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.928 -13.087 0.249 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.675 -11.438 -0.070 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.435 -12.560 -0.364 1.00 21.93 H new ATOM 190 N THR A 12 -3.126 -11.376 5.144 1.00 9.63 N ATOM 191 CA THR A 12 -1.780 -10.902 4.930 1.00 9.85 C ATOM 192 C THR A 12 -1.525 -11.202 3.493 1.00 11.66 C ATOM 193 O THR A 12 -1.450 -12.385 3.108 1.00 12.33 O ATOM 194 CB THR A 12 -0.770 -11.758 5.741 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.981 -11.586 7.128 1.00 10.91 O ATOM 196 CG2 THR A 12 0.737 -11.292 5.465 1.00 9.63 C ATOM 0 H THR A 12 -3.238 -12.386 5.060 1.00 9.63 H new ATOM 0 HA THR A 12 -1.672 -9.855 5.214 1.00 9.85 H new ATOM 0 HB THR A 12 -0.922 -12.793 5.433 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.339 -12.133 7.627 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.421 -11.910 6.047 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.963 -11.400 4.404 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.854 -10.248 5.756 1.00 9.63 H new ATOM 204 N ILE A 13 -1.480 -10.175 2.600 1.00 10.42 N ATOM 205 CA ILE A 13 -1.249 -10.430 1.167 1.00 11.84 C ATOM 206 C ILE A 13 0.238 -10.251 0.918 1.00 10.55 C ATOM 207 O ILE A 13 0.887 -9.438 1.531 1.00 11.92 O ATOM 208 CB ILE A 13 -2.032 -9.490 0.300 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.499 -9.343 0.645 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.842 -9.804 -1.256 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.131 -8.089 -0.025 1.00 16.46 C ATOM 0 H ILE A 13 -1.598 -9.192 2.846 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.579 -11.438 0.914 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.593 -8.518 0.524 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.038 -10.235 0.326 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.612 -9.272 1.727 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.428 -9.098 -1.844 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.789 -9.710 -1.520 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.180 -10.819 -1.466 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.184 -8.022 0.249 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.610 -7.194 0.314 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.043 -8.172 -1.108 1.00 16.46 H new ATOM 223 N THR A 14 0.893 -11.132 0.129 1.00 9.39 N ATOM 224 CA THR A 14 2.288 -11.043 -0.269 1.00 9.63 C ATOM 225 C THR A 14 2.288 -10.329 -1.590 1.00 11.20 C ATOM 226 O THR A 14 1.614 -10.605 -2.667 1.00 11.63 O ATOM 227 CB THR A 14 2.955 -12.430 -0.357 1.00 10.38 C ATOM 228 OG1 THR A 14 2.824 -13.041 0.896 1.00 16.30 O ATOM 229 CG2 THR A 14 4.419 -12.189 -0.589 1.00 11.66 C ATOM 0 H THR A 14 0.430 -11.955 -0.257 1.00 9.39 H new ATOM 0 HA THR A 14 2.877 -10.501 0.471 1.00 9.63 H new ATOM 0 HB THR A 14 2.513 -13.044 -1.142 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.238 -13.929 0.872 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.938 -13.145 -0.659 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.554 -11.634 -1.517 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.829 -11.613 0.241 1.00 11.66 H new ATOM 237 N LEU A 15 3.201 -9.339 -1.665 1.00 8.29 N ATOM 238 CA LEU A 15 3.416 -8.698 -3.003 1.00 9.03 C ATOM 239 C LEU A 15 4.873 -8.704 -3.462 1.00 8.59 C ATOM 240 O LEU A 15 5.812 -8.921 -2.666 1.00 7.79 O ATOM 241 CB LEU A 15 3.021 -7.216 -2.894 1.00 11.08 C ATOM 242 CG LEU A 15 1.566 -6.926 -2.324 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.418 -5.376 -2.223 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.472 -7.422 -3.347 1.00 15.27 C ATOM 0 H LEU A 15 3.764 -8.981 -0.894 1.00 8.29 H new ATOM 0 HA LEU A 15 2.821 -9.270 -3.715 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.747 -6.712 -2.256 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.099 -6.765 -3.883 1.00 11.08 H new ATOM 0 HG LEU A 15 1.437 -7.431 -1.367 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.430 -5.129 -1.835 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.181 -4.981 -1.552 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.540 -4.934 -3.212 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.521 -7.218 -2.946 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.595 -6.897 -4.294 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.585 -8.494 -3.509 1.00 15.27 H new ATOM 256 N GLU A 16 5.118 -8.339 -4.769 1.00 11.04 N ATOM 257 CA GLU A 16 6.367 -8.165 -5.418 1.00 11.50 C ATOM 258 C GLU A 16 6.360 -6.793 -6.105 1.00 10.13 C ATOM 259 O GLU A 16 5.443 -6.412 -6.791 1.00 9.83 O ATOM 260 CB GLU A 16 6.473 -9.385 -6.396 1.00 17.22 C ATOM 261 CG GLU A 16 7.774 -9.629 -7.117 1.00 23.33 C ATOM 262 CD GLU A 16 9.023 -9.861 -6.316 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.904 -10.690 -5.420 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.076 -9.183 -6.501 1.00 28.90 O ATOM 0 H GLU A 16 4.344 -8.155 -5.407 1.00 11.04 H new ATOM 0 HA GLU A 16 7.238 -8.158 -4.763 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.237 -10.285 -5.827 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.694 -9.272 -7.150 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.633 -10.495 -7.764 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.955 -8.772 -7.766 1.00 23.33 H new ATOM 271 N VAL A 17 7.516 -6.122 -5.798 1.00 8.99 N ATOM 272 CA VAL A 17 7.646 -4.667 -6.064 1.00 8.85 C ATOM 273 C VAL A 17 9.027 -4.387 -6.491 1.00 8.04 C ATOM 274 O VAL A 17 9.990 -5.266 -6.319 1.00 8.99 O ATOM 275 CB VAL A 17 7.139 -3.753 -4.860 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.648 -3.976 -4.577 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.948 -4.003 -3.601 1.00 10.54 C ATOM 0 H VAL A 17 8.340 -6.556 -5.381 1.00 8.99 H new ATOM 0 HA VAL A 17 6.974 -4.394 -6.877 1.00 8.85 H new ATOM 0 HB VAL A 17 7.281 -2.716 -5.164 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.335 -3.338 -3.751 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.068 -3.729 -5.466 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.480 -5.020 -4.313 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.578 -3.365 -2.798 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.851 -5.048 -3.308 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.997 -3.776 -3.791 1.00 10.54 H new ATOM 287 N GLU A 18 9.238 -3.189 -7.066 1.00 7.29 N ATOM 288 CA GLU A 18 10.586 -2.572 -7.212 1.00 7.08 C ATOM 289 C GLU A 18 10.714 -1.332 -6.339 1.00 6.45 C ATOM 290 O GLU A 18 9.704 -0.737 -6.070 1.00 5.28 O ATOM 291 CB GLU A 18 10.683 -2.133 -8.693 1.00 10.28 C ATOM 292 CG GLU A 18 10.840 -3.249 -9.787 1.00 12.65 C ATOM 293 CD GLU A 18 11.423 -2.751 -11.107 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.714 -1.850 -11.669 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.502 -3.153 -11.527 1.00 18.17 O ATOM 0 H GLU A 18 8.485 -2.615 -7.445 1.00 7.29 H new ATOM 0 HA GLU A 18 11.365 -3.275 -6.919 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.788 -1.558 -8.930 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.531 -1.455 -8.785 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.480 -4.039 -9.395 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.864 -3.695 -9.979 1.00 12.65 H new ATOM 302 N PRO A 19 11.920 -1.001 -5.953 1.00 7.24 N ATOM 303 CA PRO A 19 12.130 0.243 -5.232 1.00 7.07 C ATOM 304 C PRO A 19 11.572 1.540 -5.804 1.00 6.65 C ATOM 305 O PRO A 19 11.114 2.469 -5.052 1.00 6.37 O ATOM 306 CB PRO A 19 13.678 0.364 -5.089 1.00 7.61 C ATOM 307 CG PRO A 19 14.173 -1.062 -5.166 1.00 8.16 C ATOM 308 CD PRO A 19 13.155 -1.851 -5.963 1.00 7.49 C ATOM 0 HA PRO A 19 11.559 0.157 -4.308 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.104 0.976 -5.884 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.955 0.831 -4.144 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.151 -1.104 -5.645 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.289 -1.483 -4.167 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.503 -2.032 -6.980 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.968 -2.826 -5.512 1.00 7.49 H new ATOM 316 N SER A 20 11.452 1.629 -7.232 1.00 6.80 N ATOM 317 CA SER A 20 10.918 2.802 -7.865 1.00 6.28 C ATOM 318 C SER A 20 9.473 2.826 -8.302 1.00 8.45 C ATOM 319 O SER A 20 9.087 3.761 -9.052 1.00 7.26 O ATOM 320 CB SER A 20 11.745 3.082 -9.130 1.00 8.57 C ATOM 321 OG SER A 20 11.773 1.885 -9.959 1.00 11.13 O ATOM 0 H SER A 20 11.729 0.888 -7.876 1.00 6.80 H new ATOM 0 HA SER A 20 10.974 3.540 -7.064 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.311 3.913 -9.686 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.759 3.374 -8.858 1.00 8.57 H new ATOM 0 HG SER A 20 12.298 2.060 -10.768 1.00 11.13 H new ATOM 327 N ASP A 21 8.623 1.811 -7.910 1.00 7.50 N ATOM 328 CA ASP A 21 7.220 1.864 -8.041 1.00 7.70 C ATOM 329 C ASP A 21 6.588 2.858 -7.103 1.00 7.08 C ATOM 330 O ASP A 21 6.877 2.937 -5.890 1.00 8.11 O ATOM 331 CB ASP A 21 6.620 0.490 -7.572 1.00 11.00 C ATOM 332 CG ASP A 21 6.953 -0.660 -8.537 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.269 -0.488 -9.753 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.872 -1.790 -8.044 1.00 14.36 O ATOM 0 H ASP A 21 8.957 0.942 -7.493 1.00 7.50 H new ATOM 0 HA ASP A 21 7.022 2.123 -9.081 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.003 0.250 -6.580 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.538 0.582 -7.482 1.00 11.00 H new ATOM 339 N THR A 22 5.827 3.807 -7.618 1.00 5.37 N ATOM 340 CA THR A 22 5.013 4.695 -6.858 1.00 6.01 C ATOM 341 C THR A 22 3.990 3.975 -5.965 1.00 8.01 C ATOM 342 O THR A 22 3.593 2.825 -6.153 1.00 8.11 O ATOM 343 CB THR A 22 4.096 5.683 -7.667 1.00 8.92 C ATOM 344 OG1 THR A 22 3.342 4.957 -8.650 1.00 10.22 O ATOM 345 CG2 THR A 22 4.967 6.712 -8.417 1.00 9.65 C ATOM 0 H THR A 22 5.768 3.974 -8.622 1.00 5.37 H new ATOM 0 HA THR A 22 5.795 5.230 -6.319 1.00 6.01 H new ATOM 0 HB THR A 22 3.429 6.183 -6.965 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.896 5.589 -9.252 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.325 7.394 -8.976 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.560 7.278 -7.699 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.632 6.192 -9.107 1.00 9.65 H new ATOM 353 N ILE A 23 3.491 4.640 -4.930 1.00 8.32 N ATOM 354 CA ILE A 23 2.402 4.212 -4.111 1.00 9.92 C ATOM 355 C ILE A 23 1.146 3.993 -4.885 1.00 10.01 C ATOM 356 O ILE A 23 0.399 3.026 -4.741 1.00 8.71 O ATOM 357 CB ILE A 23 2.271 5.118 -2.862 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.645 5.519 -2.226 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.221 4.471 -1.914 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.658 4.432 -1.878 1.00 12.30 C ATOM 0 H ILE A 23 3.868 5.541 -4.637 1.00 8.32 H new ATOM 0 HA ILE A 23 2.623 3.217 -3.726 1.00 9.92 H new ATOM 0 HB ILE A 23 1.892 6.102 -3.138 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.132 6.212 -2.912 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.432 6.072 -1.311 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.107 5.088 -1.023 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.263 4.396 -2.429 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.557 3.475 -1.625 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.549 4.889 -1.448 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.219 3.744 -1.156 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.930 3.886 -2.781 1.00 12.30 H new ATOM 372 N GLU A 24 0.867 4.851 -5.923 1.00 9.54 N ATOM 373 CA GLU A 24 -0.174 4.567 -6.949 1.00 11.81 C ATOM 374 C GLU A 24 -0.052 3.223 -7.645 1.00 11.14 C ATOM 375 O GLU A 24 -1.064 2.545 -7.805 1.00 10.62 O ATOM 376 CB GLU A 24 -0.129 5.769 -7.971 1.00 19.24 C ATOM 377 CG GLU A 24 -1.203 5.823 -9.111 1.00 27.76 C ATOM 378 CD GLU A 24 -0.981 6.957 -10.087 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.071 7.772 -9.947 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.758 7.002 -11.067 1.00 36.51 O ATOM 0 H GLU A 24 1.351 5.738 -6.062 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.140 4.487 -6.451 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.206 6.693 -7.399 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.854 5.767 -8.442 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.194 4.878 -9.654 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.192 5.925 -8.665 1.00 27.76 H new ATOM 387 N ASN A 25 1.202 2.797 -8.020 1.00 9.43 N ATOM 388 CA ASN A 25 1.473 1.455 -8.593 1.00 10.96 C ATOM 389 C ASN A 25 1.281 0.331 -7.634 1.00 9.68 C ATOM 390 O ASN A 25 0.741 -0.668 -8.043 1.00 9.33 O ATOM 391 CB ASN A 25 2.933 1.293 -9.046 1.00 16.78 C ATOM 392 CG ASN A 25 3.049 1.686 -10.560 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.584 2.771 -10.880 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.486 0.895 -11.446 1.00 24.70 N ATOM 0 H ASN A 25 2.036 3.377 -7.930 1.00 9.43 H new ATOM 0 HA ASN A 25 0.759 1.405 -9.415 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.586 1.924 -8.443 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.260 0.264 -8.899 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.476 1.159 -12.431 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.059 0.018 -11.148 1.00 24.70 H new ATOM 401 N VAL A 26 1.638 0.500 -6.332 1.00 6.52 N ATOM 402 CA VAL A 26 1.469 -0.508 -5.330 1.00 5.53 C ATOM 403 C VAL A 26 0.029 -0.752 -5.139 1.00 4.42 C ATOM 404 O VAL A 26 -0.437 -1.919 -5.046 1.00 3.40 O ATOM 405 CB VAL A 26 2.241 -0.187 -4.023 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.830 -1.095 -2.885 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.755 -0.260 -4.297 1.00 8.12 C ATOM 0 H VAL A 26 2.053 1.361 -5.977 1.00 6.52 H new ATOM 0 HA VAL A 26 1.921 -1.440 -5.670 1.00 5.53 H new ATOM 0 HB VAL A 26 1.988 0.825 -3.706 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.395 -0.835 -1.990 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.765 -0.974 -2.689 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.034 -2.131 -3.155 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.302 -0.035 -3.381 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.015 -1.262 -4.638 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.021 0.465 -5.066 1.00 8.12 H new ATOM 417 N LYS A 27 -0.740 0.363 -5.080 1.00 2.64 N ATOM 418 CA LYS A 27 -2.182 0.271 -4.972 1.00 4.14 C ATOM 419 C LYS A 27 -2.856 -0.482 -6.179 1.00 5.58 C ATOM 420 O LYS A 27 -3.848 -1.140 -5.907 1.00 4.11 O ATOM 421 CB LYS A 27 -2.965 1.582 -4.779 1.00 3.97 C ATOM 422 CG LYS A 27 -2.716 2.124 -3.329 1.00 7.45 C ATOM 423 CD LYS A 27 -3.431 3.452 -3.112 1.00 9.02 C ATOM 424 CE LYS A 27 -2.994 4.632 -4.025 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.868 5.767 -3.776 1.00 15.47 N ATOM 0 H LYS A 27 -0.374 1.315 -5.106 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.258 -0.295 -4.044 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.648 2.320 -5.515 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.030 1.410 -4.938 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.067 1.395 -2.599 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.646 2.252 -3.163 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.500 3.291 -3.251 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.286 3.752 -2.074 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.958 4.902 -3.822 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.047 4.338 -5.073 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.982 6.316 -4.652 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.797 5.426 -3.457 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.450 6.372 -3.040 1.00 15.47 H new ATOM 439 N ALA A 28 -2.347 -0.474 -7.398 1.00 6.61 N ATOM 440 CA ALA A 28 -2.797 -1.187 -8.555 1.00 7.74 C ATOM 441 C ALA A 28 -2.561 -2.699 -8.506 1.00 9.17 C ATOM 442 O ALA A 28 -3.407 -3.466 -9.006 1.00 11.45 O ATOM 443 CB ALA A 28 -2.041 -0.603 -9.774 1.00 7.68 C ATOM 0 H ALA A 28 -1.526 0.093 -7.611 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.878 -1.060 -8.615 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.356 -1.121 -10.680 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.266 0.460 -9.867 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.968 -0.736 -9.635 1.00 7.68 H new ATOM 449 N LYS A 29 -1.491 -3.140 -7.831 1.00 8.96 N ATOM 450 CA LYS A 29 -1.163 -4.512 -7.566 1.00 7.90 C ATOM 451 C LYS A 29 -2.060 -5.068 -6.502 1.00 6.92 C ATOM 452 O LYS A 29 -2.518 -6.161 -6.538 1.00 6.87 O ATOM 453 CB LYS A 29 0.305 -4.604 -7.005 1.00 10.28 C ATOM 454 CG LYS A 29 1.314 -4.219 -8.128 1.00 14.94 C ATOM 455 CD LYS A 29 2.775 -4.131 -7.755 1.00 19.69 C ATOM 456 CE LYS A 29 3.648 -3.037 -8.382 1.00 22.63 C ATOM 457 NZ LYS A 29 3.954 -3.356 -9.804 1.00 24.98 N ATOM 0 H LYS A 29 -0.803 -2.496 -7.440 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.274 -5.068 -8.497 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.422 -3.937 -6.151 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.508 -5.614 -6.650 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.216 -4.948 -8.932 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.012 -3.254 -8.534 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.830 -4.013 -6.673 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.232 -5.091 -7.994 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.135 -2.077 -8.322 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.576 -2.938 -7.819 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.546 -2.603 -10.209 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.463 -4.261 -9.855 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.067 -3.427 -10.343 1.00 24.98 H new ATOM 471 N ILE A 30 -2.441 -4.235 -5.529 1.00 4.57 N ATOM 472 CA ILE A 30 -3.461 -4.606 -4.604 1.00 5.58 C ATOM 473 C ILE A 30 -4.878 -4.664 -5.102 1.00 7.26 C ATOM 474 O ILE A 30 -5.722 -5.458 -4.749 1.00 9.46 O ATOM 475 CB ILE A 30 -3.488 -3.767 -3.321 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.060 -3.589 -2.694 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.460 -4.408 -2.276 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.887 -2.799 -1.391 1.00 2.00 C ATOM 0 H ILE A 30 -2.046 -3.306 -5.380 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.135 -5.629 -4.414 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.848 -2.775 -3.592 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.654 -4.586 -2.525 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.432 -3.113 -3.447 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.470 -3.803 -1.369 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.466 -4.452 -2.694 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.122 -5.416 -2.035 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.833 -2.783 -1.112 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.240 -1.778 -1.535 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.465 -3.274 -0.598 1.00 2.00 H new ATOM 490 N GLN A 31 -5.143 -3.797 -6.099 1.00 7.06 N ATOM 491 CA GLN A 31 -6.387 -3.822 -6.839 1.00 8.67 C ATOM 492 C GLN A 31 -6.507 -5.141 -7.578 1.00 10.90 C ATOM 493 O GLN A 31 -7.528 -5.820 -7.506 1.00 9.63 O ATOM 494 CB GLN A 31 -6.509 -2.610 -7.768 1.00 9.12 C ATOM 495 CG GLN A 31 -7.959 -2.368 -8.335 1.00 10.76 C ATOM 496 CD GLN A 31 -7.975 -1.260 -9.394 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.949 -0.776 -9.924 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.224 -0.829 -9.641 1.00 14.76 N ATOM 0 H GLN A 31 -4.495 -3.070 -6.401 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.223 -3.749 -6.144 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.190 -1.719 -7.227 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.822 -2.738 -8.604 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.339 -3.293 -8.770 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.629 -2.101 -7.518 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.017 -1.269 -9.174 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.379 -0.062 -10.296 1.00 14.76 H new ATOM 507 N ASP A 32 -5.427 -5.598 -8.251 1.00 10.93 N ATOM 508 CA ASP A 32 -5.295 -6.902 -8.946 1.00 14.01 C ATOM 509 C ASP A 32 -5.558 -8.053 -8.035 1.00 14.04 C ATOM 510 O ASP A 32 -6.245 -9.002 -8.468 1.00 13.39 O ATOM 511 CB ASP A 32 -3.866 -7.151 -9.522 1.00 18.01 C ATOM 512 CG ASP A 32 -3.937 -8.169 -10.624 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.665 -7.983 -11.646 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.295 -9.220 -10.462 1.00 25.17 O ATOM 0 H ASP A 32 -4.578 -5.038 -8.329 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.030 -6.843 -9.749 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.448 -6.218 -9.901 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.201 -7.501 -8.733 1.00 18.01 H new ATOM 519 N LYS A 33 -5.109 -8.085 -6.794 1.00 14.22 N ATOM 520 CA LYS A 33 -5.449 -9.088 -5.883 1.00 14.00 C ATOM 521 C LYS A 33 -6.884 -9.050 -5.404 1.00 12.37 C ATOM 522 O LYS A 33 -7.521 -10.131 -5.424 1.00 12.17 O ATOM 523 CB LYS A 33 -4.449 -9.022 -4.684 1.00 18.62 C ATOM 524 CG LYS A 33 -2.949 -9.343 -5.089 1.00 24.00 C ATOM 525 CD LYS A 33 -2.700 -10.861 -5.379 1.00 27.61 C ATOM 526 CE LYS A 33 -1.317 -11.041 -5.951 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.150 -12.503 -6.126 1.00 30.06 N ATOM 0 H LYS A 33 -4.481 -7.379 -6.410 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.370 -10.041 -6.407 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.492 -8.027 -4.241 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.768 -9.727 -3.916 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.686 -8.763 -5.974 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.286 -9.019 -4.287 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.804 -11.440 -4.461 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.447 -11.236 -6.079 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.214 -10.517 -6.901 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.559 -10.637 -5.280 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.208 -12.700 -6.521 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.245 -12.976 -5.205 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.879 -12.860 -6.775 1.00 30.06 H new ATOM 541 N GLU A 34 -7.411 -7.858 -5.039 1.00 10.11 N ATOM 542 CA GLU A 34 -8.664 -7.829 -4.201 1.00 10.07 C ATOM 543 C GLU A 34 -9.769 -6.921 -4.669 1.00 9.32 C ATOM 544 O GLU A 34 -10.831 -6.853 -4.055 1.00 11.61 O ATOM 545 CB GLU A 34 -8.297 -7.392 -2.765 1.00 14.77 C ATOM 546 CG GLU A 34 -7.207 -8.288 -2.017 1.00 18.75 C ATOM 547 CD GLU A 34 -7.608 -9.668 -1.497 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.531 -9.764 -0.676 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.041 -10.738 -1.952 1.00 25.19 O ATOM 0 H GLU A 34 -7.027 -6.946 -5.286 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.055 -8.844 -4.274 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.932 -6.366 -2.801 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.207 -7.386 -2.165 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.370 -8.425 -2.701 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.835 -7.713 -1.169 1.00 18.75 H new ATOM 556 N GLY A 35 -9.590 -6.246 -5.817 1.00 7.22 N ATOM 557 CA GLY A 35 -10.658 -5.437 -6.345 1.00 6.29 C ATOM 558 C GLY A 35 -10.816 -4.031 -5.704 1.00 6.93 C ATOM 559 O GLY A 35 -11.717 -3.350 -6.156 1.00 7.41 O ATOM 0 H GLY A 35 -8.734 -6.254 -6.371 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.500 -5.312 -7.416 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.595 -5.980 -6.222 1.00 6.29 H new ATOM 563 N ILE A 36 -10.028 -3.618 -4.696 1.00 5.86 N ATOM 564 CA ILE A 36 -10.281 -2.294 -4.006 1.00 6.07 C ATOM 565 C ILE A 36 -9.756 -1.218 -4.931 1.00 6.36 C ATOM 566 O ILE A 36 -8.595 -1.315 -5.253 1.00 6.18 O ATOM 567 CB ILE A 36 -9.593 -2.149 -2.652 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.925 -3.389 -1.785 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.105 -0.868 -1.911 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.181 -3.526 -0.453 1.00 9.49 C ATOM 0 H ILE A 36 -9.232 -4.144 -4.334 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.350 -2.219 -3.807 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.518 -2.065 -2.810 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.995 -3.380 -1.576 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.724 -4.281 -2.379 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.604 -0.780 -0.947 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.887 0.013 -2.515 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.181 -0.944 -1.755 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.506 -4.435 0.053 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.108 -3.578 -0.639 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.399 -2.663 0.176 1.00 9.49 H new ATOM 582 N PRO A 37 -10.525 -0.160 -5.381 1.00 8.65 N ATOM 583 CA PRO A 37 -10.031 1.007 -6.173 1.00 9.18 C ATOM 584 C PRO A 37 -8.886 1.817 -5.519 1.00 9.85 C ATOM 585 O PRO A 37 -9.209 2.140 -4.394 1.00 8.51 O ATOM 586 CB PRO A 37 -11.247 1.953 -6.337 1.00 11.42 C ATOM 587 CG PRO A 37 -12.420 0.967 -6.218 1.00 9.27 C ATOM 588 CD PRO A 37 -11.958 -0.134 -5.294 1.00 8.33 C ATOM 0 HA PRO A 37 -9.618 0.619 -7.104 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.277 2.721 -5.564 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.240 2.468 -7.298 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.305 1.463 -5.820 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.691 0.566 -7.195 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.282 0.056 -4.271 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.383 -1.093 -5.590 1.00 8.33 H new ATOM 596 N PRO A 38 -7.724 2.138 -6.131 1.00 8.71 N ATOM 597 CA PRO A 38 -6.648 2.970 -5.495 1.00 9.08 C ATOM 598 C PRO A 38 -7.117 4.299 -4.859 1.00 9.28 C ATOM 599 O PRO A 38 -6.402 4.886 -4.101 1.00 6.50 O ATOM 600 CB PRO A 38 -5.666 3.135 -6.594 1.00 10.31 C ATOM 601 CG PRO A 38 -5.754 1.819 -7.365 1.00 10.81 C ATOM 602 CD PRO A 38 -7.231 1.517 -7.383 1.00 12.00 C ATOM 0 HA PRO A 38 -6.230 2.483 -4.614 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.914 3.987 -7.227 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.661 3.306 -6.209 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.353 1.918 -8.374 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.189 1.027 -6.873 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.717 1.942 -8.261 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.422 0.444 -7.401 1.00 12.00 H new ATOM 610 N ASP A 39 -8.261 4.824 -5.307 1.00 11.20 N ATOM 611 CA ASP A 39 -8.886 6.043 -4.790 1.00 14.96 C ATOM 612 C ASP A 39 -9.584 5.832 -3.439 1.00 13.99 C ATOM 613 O ASP A 39 -9.615 6.716 -2.567 1.00 13.75 O ATOM 614 CB ASP A 39 -9.988 6.500 -5.799 1.00 24.16 C ATOM 615 CG ASP A 39 -9.300 6.958 -7.092 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.598 6.229 -7.770 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.481 8.170 -7.432 1.00 35.55 O ATOM 0 H ASP A 39 -8.794 4.397 -6.065 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.091 6.778 -4.661 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.677 5.681 -6.005 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.578 7.313 -5.375 1.00 24.16 H new ATOM 622 N GLN A 40 -10.046 4.558 -3.176 1.00 11.60 N ATOM 623 CA GLN A 40 -10.616 4.083 -1.945 1.00 10.76 C ATOM 624 C GLN A 40 -9.653 3.465 -0.977 1.00 8.01 C ATOM 625 O GLN A 40 -9.934 3.327 0.238 1.00 8.96 O ATOM 626 CB GLN A 40 -11.717 3.065 -2.218 1.00 11.14 C ATOM 627 CG GLN A 40 -12.757 2.705 -1.072 1.00 14.85 C ATOM 628 CD GLN A 40 -13.421 1.395 -1.521 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.410 0.364 -0.842 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.069 1.458 -2.729 1.00 18.16 N ATOM 0 H GLN A 40 -10.009 3.826 -3.885 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.999 4.989 -1.474 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.287 3.424 -3.075 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.234 2.137 -2.523 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.256 2.583 -0.111 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.495 3.497 -0.948 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.061 2.324 -3.268 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.559 0.639 -3.088 1.00 18.16 H new ATOM 639 N GLN A 41 -8.478 3.004 -1.428 1.00 6.52 N ATOM 640 CA GLN A 41 -7.409 2.513 -0.609 1.00 3.87 C ATOM 641 C GLN A 41 -6.771 3.649 0.311 1.00 4.79 C ATOM 642 O GLN A 41 -6.561 4.740 -0.172 1.00 6.34 O ATOM 643 CB GLN A 41 -6.315 1.842 -1.416 1.00 4.20 C ATOM 644 CG GLN A 41 -6.782 0.425 -2.033 1.00 3.20 C ATOM 645 CD GLN A 41 -5.678 -0.219 -2.907 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.531 -0.331 -2.394 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.967 -0.613 -4.138 1.00 7.13 N ATOM 0 H GLN A 41 -8.257 2.970 -2.423 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.869 1.764 0.036 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.008 2.504 -2.226 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.442 1.688 -0.781 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.045 -0.254 -1.222 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.681 0.569 -2.632 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.913 -0.498 -4.501 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.244 -1.032 -4.723 1.00 7.13 H new ATOM 656 N ARG A 42 -6.430 3.273 1.541 1.00 5.73 N ATOM 657 CA ARG A 42 -5.504 4.059 2.301 1.00 6.97 C ATOM 658 C ARG A 42 -4.409 3.163 2.831 1.00 7.15 C ATOM 659 O ARG A 42 -4.635 2.137 3.369 1.00 7.33 O ATOM 660 CB ARG A 42 -6.245 4.687 3.496 1.00 13.23 C ATOM 661 CG ARG A 42 -7.066 5.911 3.049 1.00 21.27 C ATOM 662 CD ARG A 42 -7.432 6.684 4.363 1.00 26.14 C ATOM 663 NE ARG A 42 -7.799 8.095 4.051 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.019 9.079 4.906 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.882 8.961 6.186 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.372 10.288 4.400 1.00 36.39 N ATOM 0 H ARG A 42 -6.782 2.441 2.013 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.077 4.837 1.669 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.904 3.947 3.950 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.526 4.985 4.260 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.490 6.542 2.372 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.964 5.605 2.513 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.263 6.188 4.865 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.587 6.665 5.051 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.891 8.328 3.062 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.589 8.070 6.588 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.067 9.759 6.794 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.459 10.413 3.391 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.550 11.072 5.028 1.00 36.39 H new ATOM 680 N LEU A 43 -3.146 3.564 2.639 1.00 4.65 N ATOM 681 CA LEU A 43 -2.001 2.791 3.095 1.00 3.51 C ATOM 682 C LEU A 43 -1.223 3.458 4.180 1.00 5.56 C ATOM 683 O LEU A 43 -0.828 4.598 4.106 1.00 4.19 O ATOM 684 CB LEU A 43 -1.007 2.603 1.967 1.00 3.74 C ATOM 685 CG LEU A 43 -1.580 1.935 0.762 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.453 1.592 -0.211 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.290 0.620 1.050 1.00 6.41 C ATOM 0 H LEU A 43 -2.897 4.432 2.164 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.428 1.856 3.457 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.612 3.577 1.677 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.166 2.014 2.332 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.305 2.644 0.364 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.869 1.104 -1.092 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.060 2.506 -0.511 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.256 0.921 0.275 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.676 0.203 0.120 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.587 -0.082 1.498 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.116 0.796 1.739 1.00 6.41 H new ATOM 699 N ILE A 44 -0.882 2.641 5.194 1.00 4.58 N ATOM 700 CA ILE A 44 -0.235 3.107 6.384 1.00 5.55 C ATOM 701 C ILE A 44 1.068 2.335 6.499 1.00 5.46 C ATOM 702 O ILE A 44 1.089 1.083 6.541 1.00 6.04 O ATOM 703 CB ILE A 44 -1.140 2.784 7.573 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.600 3.248 7.359 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.520 3.457 8.869 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.963 4.705 7.177 1.00 13.90 C ATOM 0 H ILE A 44 -1.059 1.636 5.188 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.044 4.180 6.361 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.185 1.701 7.688 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.971 2.720 6.480 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.172 2.887 8.213 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.152 3.238 9.730 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.480 3.060 9.042 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.462 4.536 8.726 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.041 4.797 7.043 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.657 5.269 8.058 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.453 5.100 6.298 1.00 13.90 H new ATOM 718 N PHE A 45 2.209 3.053 6.619 1.00 6.75 N ATOM 719 CA PHE A 45 3.513 2.518 6.944 1.00 4.70 C ATOM 720 C PHE A 45 3.991 3.252 8.151 1.00 6.34 C ATOM 721 O PHE A 45 4.064 4.452 8.140 1.00 5.45 O ATOM 722 CB PHE A 45 4.503 2.777 5.820 1.00 5.51 C ATOM 723 CG PHE A 45 5.763 1.915 5.991 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.690 0.555 6.163 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.999 2.516 6.282 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.816 -0.152 6.462 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.197 1.789 6.614 1.00 6.64 C ATOM 728 CZ PHE A 45 8.059 0.427 6.669 1.00 6.84 C ATOM 0 H PHE A 45 2.226 4.064 6.482 1.00 6.75 H new ATOM 0 HA PHE A 45 3.440 1.442 7.105 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.035 2.558 4.860 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.778 3.832 5.808 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.743 0.047 6.062 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.054 3.594 6.255 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.736 -1.226 6.542 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.138 2.283 6.806 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.918 -0.195 6.873 1.00 6.84 H new ATOM 738 N ALA A 46 4.307 2.438 9.190 1.00 6.53 N ATOM 739 CA ALA A 46 4.685 2.831 10.516 1.00 7.15 C ATOM 740 C ALA A 46 3.931 3.981 11.149 1.00 9.00 C ATOM 741 O ALA A 46 4.343 5.114 11.424 1.00 11.15 O ATOM 742 CB ALA A 46 6.211 3.010 10.485 1.00 8.99 C ATOM 0 H ALA A 46 4.295 1.423 9.086 1.00 6.53 H new ATOM 0 HA ALA A 46 4.382 2.043 11.206 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.562 3.311 11.472 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.682 2.068 10.204 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.473 3.778 9.757 1.00 8.99 H new ATOM 748 N GLY A 47 2.640 3.708 11.406 1.00 9.35 N ATOM 749 CA GLY A 47 1.846 4.692 12.029 1.00 11.68 C ATOM 750 C GLY A 47 1.352 5.830 11.158 1.00 11.14 C ATOM 751 O GLY A 47 0.720 6.707 11.642 1.00 13.93 O ATOM 0 H GLY A 47 2.167 2.831 11.187 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.978 4.199 12.467 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.419 5.119 12.852 1.00 11.68 H new ATOM 755 N LYS A 48 1.678 5.900 9.857 1.00 10.47 N ATOM 756 CA LYS A 48 1.264 7.076 9.074 1.00 8.82 C ATOM 757 C LYS A 48 1.058 6.808 7.603 1.00 7.68 C ATOM 758 O LYS A 48 1.639 5.853 7.124 1.00 6.47 O ATOM 759 CB LYS A 48 2.283 8.238 9.192 1.00 9.74 C ATOM 760 CG LYS A 48 3.681 8.117 8.528 1.00 14.14 C ATOM 761 CD LYS A 48 4.439 9.418 8.493 1.00 16.32 C ATOM 762 CE LYS A 48 5.879 9.441 8.007 1.00 20.04 C ATOM 763 NZ LYS A 48 6.168 8.774 6.693 1.00 23.92 N ATOM 0 H LYS A 48 2.203 5.192 9.343 1.00 10.47 H new ATOM 0 HA LYS A 48 0.304 7.347 9.513 1.00 8.82 H new ATOM 0 HB2 LYS A 48 1.807 9.129 8.784 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.444 8.421 10.254 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.270 7.376 9.069 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.561 7.747 7.510 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.873 10.107 7.866 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.430 9.826 9.504 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.195 10.482 7.935 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.501 8.971 8.769 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.182 8.859 6.476 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.909 7.768 6.750 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.613 9.232 5.942 1.00 23.92 H new ATOM 777 N GLN A 49 0.243 7.621 6.858 1.00 8.89 N ATOM 778 CA GLN A 49 -0.278 7.373 5.530 1.00 7.18 C ATOM 779 C GLN A 49 0.734 7.775 4.456 1.00 8.23 C ATOM 780 O GLN A 49 1.311 8.896 4.465 1.00 9.70 O ATOM 781 CB GLN A 49 -1.686 8.005 5.476 1.00 11.67 C ATOM 782 CG GLN A 49 -2.482 7.446 4.274 1.00 15.82 C ATOM 783 CD GLN A 49 -3.916 7.972 4.321 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.545 7.841 5.368 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.481 8.502 3.202 1.00 20.67 N ATOM 0 H GLN A 49 -0.071 8.521 7.221 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.416 6.316 5.304 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.221 7.797 6.403 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.602 9.089 5.393 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.005 7.742 3.340 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.482 6.356 4.300 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.930 8.597 2.349 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.455 8.804 3.217 1.00 20.67 H new ATOM 794 N LEU A 50 1.053 6.923 3.495 1.00 6.51 N ATOM 795 CA LEU A 50 1.908 7.090 2.321 1.00 7.41 C ATOM 796 C LEU A 50 1.151 7.831 1.236 1.00 8.27 C ATOM 797 O LEU A 50 -0.034 7.585 0.991 1.00 8.34 O ATOM 798 CB LEU A 50 2.392 5.703 1.808 1.00 7.13 C ATOM 799 CG LEU A 50 3.089 4.823 2.791 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.506 3.583 1.924 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.259 5.527 3.457 1.00 9.11 C ATOM 0 H LEU A 50 0.672 5.977 3.520 1.00 6.51 H new ATOM 0 HA LEU A 50 2.785 7.676 2.596 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.527 5.163 1.424 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.064 5.869 0.966 1.00 7.13 H new ATOM 0 HG LEU A 50 2.466 4.535 3.638 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.032 2.862 2.550 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.615 3.117 1.504 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.161 3.908 1.116 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.737 4.849 4.164 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.982 5.828 2.699 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.899 6.409 3.986 1.00 9.11 H new ATOM 813 N GLU A 51 1.830 8.895 0.721 1.00 9.43 N ATOM 814 CA GLU A 51 1.374 9.691 -0.437 1.00 11.90 C ATOM 815 C GLU A 51 1.288 8.969 -1.771 1.00 11.49 C ATOM 816 O GLU A 51 2.237 8.283 -2.106 1.00 9.88 O ATOM 817 CB GLU A 51 2.236 10.916 -0.617 1.00 16.56 C ATOM 818 CG GLU A 51 2.149 11.838 0.581 1.00 26.06 C ATOM 819 CD GLU A 51 3.085 13.065 0.593 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.394 13.597 -0.509 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.396 13.580 1.705 1.00 33.44 O ATOM 0 H GLU A 51 2.716 9.220 1.107 1.00 9.43 H new ATOM 0 HA GLU A 51 0.347 9.943 -0.171 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.272 10.614 -0.770 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.925 11.452 -1.513 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.122 12.195 0.659 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.351 11.250 1.476 1.00 26.06 H new ATOM 828 N ASP A 52 0.274 9.163 -2.555 1.00 12.71 N ATOM 829 CA ASP A 52 0.150 8.520 -3.892 1.00 16.56 C ATOM 830 C ASP A 52 1.290 8.733 -4.901 1.00 15.83 C ATOM 831 O ASP A 52 1.826 7.777 -5.534 1.00 17.21 O ATOM 832 CB ASP A 52 -1.196 9.004 -4.481 1.00 21.05 C ATOM 833 CG ASP A 52 -2.326 9.013 -3.445 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.666 7.965 -2.817 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.852 10.128 -3.165 1.00 25.82 O ATOM 0 H ASP A 52 -0.511 9.768 -2.315 1.00 12.71 H new ATOM 0 HA ASP A 52 0.205 7.445 -3.723 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.071 10.009 -4.885 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.477 8.359 -5.313 1.00 21.05 H new ATOM 840 N GLY A 53 1.776 9.975 -5.027 1.00 15.00 N ATOM 841 CA GLY A 53 2.788 10.410 -5.972 1.00 11.77 C ATOM 842 C GLY A 53 4.207 10.349 -5.436 1.00 11.10 C ATOM 843 O GLY A 53 4.977 11.305 -5.678 1.00 11.25 O ATOM 0 H GLY A 53 1.449 10.738 -4.435 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.723 9.792 -6.867 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.570 11.434 -6.275 1.00 11.77 H new ATOM 847 N ARG A 54 4.533 9.280 -4.652 1.00 8.53 N ATOM 848 CA ARG A 54 5.838 9.124 -4.111 1.00 9.05 C ATOM 849 C ARG A 54 6.173 7.624 -4.426 1.00 8.96 C ATOM 850 O ARG A 54 5.290 6.857 -4.812 1.00 11.60 O ATOM 851 CB ARG A 54 5.785 9.302 -2.535 1.00 7.97 C ATOM 852 CG ARG A 54 5.457 10.719 -2.054 1.00 9.62 C ATOM 853 CD ARG A 54 6.460 11.780 -2.334 1.00 12.20 C ATOM 854 NE ARG A 54 5.760 13.032 -1.892 1.00 18.23 N ATOM 855 CZ ARG A 54 6.312 14.222 -1.841 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.515 14.441 -2.497 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.661 15.188 -1.228 1.00 23.38 N ATOM 0 H ARG A 54 3.882 8.535 -4.404 1.00 8.53 H new ATOM 0 HA ARG A 54 6.557 9.839 -4.512 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.040 8.616 -2.132 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.748 9.007 -2.119 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.512 11.019 -2.507 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.297 10.681 -0.977 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.385 11.618 -1.780 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.724 11.817 -3.391 1.00 12.20 H new ATOM 0 HE ARG A 54 4.783 12.952 -1.610 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.961 13.682 -3.012 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.953 15.361 -2.465 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.751 15.002 -0.807 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.067 16.122 -1.174 1.00 23.38 H new ATOM 871 N THR A 55 7.490 7.211 -4.367 1.00 9.05 N ATOM 872 CA THR A 55 7.989 5.855 -4.583 1.00 9.03 C ATOM 873 C THR A 55 8.319 5.217 -3.248 1.00 8.15 C ATOM 874 O THR A 55 8.541 5.941 -2.276 1.00 5.91 O ATOM 875 CB THR A 55 9.141 5.781 -5.572 1.00 11.15 C ATOM 876 OG1 THR A 55 10.389 6.342 -5.110 1.00 11.95 O ATOM 877 CG2 THR A 55 8.737 6.388 -6.931 1.00 11.71 C ATOM 0 H THR A 55 8.243 7.866 -4.156 1.00 9.05 H new ATOM 0 HA THR A 55 7.194 5.280 -5.057 1.00 9.03 H new ATOM 0 HB THR A 55 9.341 4.716 -5.687 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.337 7.320 -5.136 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.577 6.324 -7.622 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.889 5.837 -7.338 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.459 7.433 -6.794 1.00 11.71 H new ATOM 885 N LEU A 56 8.418 3.856 -3.205 1.00 6.91 N ATOM 886 CA LEU A 56 8.838 3.069 -2.027 1.00 8.29 C ATOM 887 C LEU A 56 10.219 3.499 -1.554 1.00 8.05 C ATOM 888 O LEU A 56 10.649 3.628 -0.405 1.00 10.17 O ATOM 889 CB LEU A 56 8.853 1.575 -2.393 1.00 6.60 C ATOM 890 CG LEU A 56 7.410 1.101 -2.679 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.439 -0.307 -3.238 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.610 1.095 -1.363 1.00 8.64 C ATOM 0 H LEU A 56 8.201 3.271 -4.012 1.00 6.91 H new ATOM 0 HA LEU A 56 8.130 3.244 -1.217 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.482 1.410 -3.268 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.283 0.994 -1.577 1.00 6.60 H new ATOM 0 HG LEU A 56 6.945 1.774 -3.399 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.421 -0.640 -3.439 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.014 -0.319 -4.164 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.903 -0.977 -2.514 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.591 0.761 -1.558 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.084 0.418 -0.652 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.589 2.102 -0.946 1.00 8.64 H new ATOM 904 N SER A 57 11.097 3.788 -2.555 1.00 8.92 N ATOM 905 CA SER A 57 12.396 4.390 -2.233 1.00 9.00 C ATOM 906 C SER A 57 12.451 5.847 -1.731 1.00 9.44 C ATOM 907 O SER A 57 13.456 6.225 -1.074 1.00 10.91 O ATOM 908 CB SER A 57 13.331 4.199 -3.433 1.00 10.32 C ATOM 909 OG SER A 57 13.004 5.077 -4.542 1.00 13.59 O ATOM 0 H SER A 57 10.929 3.618 -3.547 1.00 8.92 H new ATOM 0 HA SER A 57 12.712 3.849 -1.341 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.359 4.382 -3.120 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.279 3.163 -3.768 1.00 10.32 H new ATOM 0 HG SER A 57 12.059 5.333 -4.489 1.00 13.59 H new ATOM 915 N ASP A 58 11.380 6.625 -2.009 1.00 9.11 N ATOM 916 CA ASP A 58 11.300 7.926 -1.398 1.00 7.91 C ATOM 917 C ASP A 58 11.033 7.766 0.133 1.00 9.12 C ATOM 918 O ASP A 58 11.292 8.633 0.958 1.00 8.61 O ATOM 919 CB ASP A 58 10.217 8.828 -1.988 1.00 8.41 C ATOM 920 CG ASP A 58 10.671 9.132 -3.386 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.822 9.649 -3.563 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.936 8.801 -4.341 1.00 10.05 O ATOM 0 H ASP A 58 10.606 6.373 -2.624 1.00 9.11 H new ATOM 0 HA ASP A 58 12.257 8.409 -1.595 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.248 8.329 -1.989 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.105 9.741 -1.404 1.00 8.41 H new ATOM 927 N TYR A 59 10.524 6.611 0.551 1.00 7.97 N ATOM 928 CA TYR A 59 10.313 6.239 1.935 1.00 8.45 C ATOM 929 C TYR A 59 11.441 5.426 2.531 1.00 10.98 C ATOM 930 O TYR A 59 11.483 5.278 3.735 1.00 12.95 O ATOM 931 CB TYR A 59 8.990 5.512 2.134 1.00 7.94 C ATOM 932 CG TYR A 59 7.818 6.475 1.939 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.521 7.467 2.860 1.00 4.59 C ATOM 934 CD2 TYR A 59 7.049 6.447 0.741 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.459 8.356 2.620 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.939 7.328 0.485 1.00 6.52 C ATOM 937 CZ TYR A 59 5.725 8.338 1.385 1.00 6.76 C ATOM 938 OH TYR A 59 4.621 9.206 1.227 1.00 7.63 O ATOM 0 H TYR A 59 10.236 5.880 -0.100 1.00 7.97 H new ATOM 0 HA TYR A 59 10.285 7.186 2.473 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.912 4.686 1.427 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.952 5.080 3.134 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.106 7.557 3.763 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.313 5.725 -0.018 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.188 9.071 3.383 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.303 7.198 -0.378 1.00 6.52 H new ATOM 0 HH TYR A 59 4.939 10.131 1.161 1.00 7.63 H new ATOM 948 N ASN A 60 12.337 4.971 1.626 1.00 12.38 N ATOM 949 CA ASN A 60 13.346 3.933 1.820 1.00 13.94 C ATOM 950 C ASN A 60 12.788 2.662 2.501 1.00 14.16 C ATOM 951 O ASN A 60 13.425 2.145 3.426 1.00 14.26 O ATOM 952 CB ASN A 60 14.582 4.572 2.415 1.00 19.23 C ATOM 953 CG ASN A 60 15.331 5.528 1.524 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.187 6.728 1.689 1.00 25.45 O ATOM 955 ND2 ASN A 60 16.275 5.110 0.625 1.00 24.09 N ATOM 0 H ASN A 60 12.367 5.352 0.680 1.00 12.38 H new ATOM 0 HA ASN A 60 13.665 3.510 0.867 1.00 13.94 H new ATOM 0 HB2 ASN A 60 14.290 5.104 3.320 1.00 19.23 H new ATOM 0 HB3 ASN A 60 15.266 3.779 2.718 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.833 5.795 0.116 1.00 24.09 H new ATOM 0 HD22 ASN A 60 16.420 4.113 0.464 1.00 24.09 H new ATOM 962 N ILE A 61 11.693 2.111 1.986 1.00 11.08 N ATOM 963 CA ILE A 61 11.122 0.844 2.434 1.00 11.78 C ATOM 964 C ILE A 61 11.883 -0.316 1.922 1.00 13.74 C ATOM 965 O ILE A 61 11.910 -0.657 0.737 1.00 14.60 O ATOM 966 CB ILE A 61 9.632 0.698 2.071 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.803 1.902 2.592 1.00 11.56 C ATOM 968 CG2 ILE A 61 9.092 -0.578 2.653 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.440 2.180 1.955 1.00 11.42 C ATOM 0 H ILE A 61 11.165 2.543 1.228 1.00 11.08 H new ATOM 0 HA ILE A 61 11.197 0.858 3.521 1.00 11.78 H new ATOM 0 HB ILE A 61 9.548 0.674 0.984 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.646 1.759 3.661 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.412 2.799 2.476 1.00 11.56 H new ATOM 0 HG21 ILE A 61 8.038 -0.678 2.394 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.647 -1.425 2.250 1.00 13.29 H new ATOM 0 HG23 ILE A 61 9.199 -0.557 3.738 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.988 3.052 2.428 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.568 2.371 0.890 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.791 1.315 2.093 1.00 11.42 H new ATOM 981 N GLN A 62 12.663 -1.012 2.814 1.00 13.97 N ATOM 982 CA GLN A 62 13.468 -2.206 2.489 1.00 15.52 C ATOM 983 C GLN A 62 12.637 -3.510 2.619 1.00 13.94 C ATOM 984 O GLN A 62 11.799 -3.631 3.498 1.00 12.15 O ATOM 985 CB GLN A 62 14.701 -2.310 3.365 1.00 19.53 C ATOM 986 CG GLN A 62 15.799 -3.254 2.810 1.00 26.38 C ATOM 987 CD GLN A 62 16.010 -3.090 1.316 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.282 -3.697 0.512 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.978 -2.238 0.902 1.00 32.71 N ATOM 0 H GLN A 62 12.740 -0.740 3.794 1.00 13.97 H new ATOM 0 HA GLN A 62 13.783 -2.088 1.452 1.00 15.52 H new ATOM 0 HB2 GLN A 62 15.125 -1.314 3.495 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.402 -2.660 4.353 1.00 19.53 H new ATOM 0 HG2 GLN A 62 16.737 -3.059 3.329 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.526 -4.287 3.023 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.559 -1.755 1.587 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.126 -2.080 -0.095 1.00 32.71 H new ATOM 998 N LYS A 63 12.921 -4.593 1.773 1.00 11.73 N ATOM 999 CA LYS A 63 12.189 -5.873 1.748 1.00 11.97 C ATOM 1000 C LYS A 63 11.778 -6.497 3.075 1.00 10.41 C ATOM 1001 O LYS A 63 12.466 -6.371 4.114 1.00 9.59 O ATOM 1002 CB LYS A 63 13.090 -6.851 0.942 1.00 13.73 C ATOM 1003 CG LYS A 63 14.450 -7.167 1.554 1.00 16.98 C ATOM 1004 CD LYS A 63 15.149 -8.372 0.793 1.00 20.19 C ATOM 1005 CE LYS A 63 16.543 -8.699 1.261 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.143 -9.932 0.660 1.00 25.97 N ATOM 0 H LYS A 63 13.682 -4.563 1.094 1.00 11.73 H new ATOM 0 HA LYS A 63 11.216 -5.667 1.301 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.548 -7.787 0.809 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.250 -6.431 -0.051 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.088 -6.284 1.508 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.329 -7.418 2.608 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.527 -9.261 0.903 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.185 -8.138 -0.271 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.192 -7.852 1.038 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.528 -8.812 2.345 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.100 -10.074 1.042 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.552 -10.755 0.893 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.195 -9.825 -0.373 1.00 25.97 H new ATOM 1020 N GLU A 64 10.697 -7.221 3.045 1.00 10.04 N ATOM 1021 CA GLU A 64 10.192 -8.174 4.038 1.00 10.94 C ATOM 1022 C GLU A 64 9.455 -7.363 5.158 1.00 9.74 C ATOM 1023 O GLU A 64 8.931 -7.917 6.131 1.00 9.42 O ATOM 1024 CB GLU A 64 11.193 -9.204 4.586 1.00 18.31 C ATOM 1025 CG GLU A 64 11.574 -10.286 3.467 1.00 24.16 C ATOM 1026 CD GLU A 64 12.551 -11.458 3.841 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.946 -11.537 5.037 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.005 -12.234 2.954 1.00 32.61 O ATOM 0 H GLU A 64 10.067 -7.165 2.245 1.00 10.04 H new ATOM 0 HA GLU A 64 9.497 -8.832 3.517 1.00 10.94 H new ATOM 0 HB2 GLU A 64 12.095 -8.695 4.926 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.765 -9.707 5.453 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.645 -10.733 3.112 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.012 -9.749 2.626 1.00 24.16 H new ATOM 1035 N SER A 65 9.345 -6.039 4.938 1.00 6.85 N ATOM 1036 CA SER A 65 8.438 -5.050 5.583 1.00 6.90 C ATOM 1037 C SER A 65 6.954 -5.256 5.407 1.00 4.72 C ATOM 1038 O SER A 65 6.449 -5.821 4.423 1.00 3.91 O ATOM 1039 CB SER A 65 8.665 -3.603 5.161 1.00 7.28 C ATOM 1040 OG SER A 65 10.010 -3.190 5.358 1.00 10.56 O ATOM 0 H SER A 65 9.939 -5.586 4.243 1.00 6.85 H new ATOM 0 HA SER A 65 8.721 -5.236 6.619 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.402 -3.488 4.110 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.000 -2.952 5.729 1.00 7.28 H new ATOM 0 HG SER A 65 10.548 -3.445 4.580 1.00 10.56 H new ATOM 1046 N THR A 66 6.182 -4.986 6.500 1.00 4.48 N ATOM 1047 CA THR A 66 4.767 -5.114 6.597 1.00 3.80 C ATOM 1048 C THR A 66 4.131 -3.700 6.577 1.00 4.60 C ATOM 1049 O THR A 66 4.534 -2.710 7.242 1.00 5.33 O ATOM 1050 CB THR A 66 4.341 -5.865 7.914 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.541 -7.237 7.675 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.820 -5.739 8.255 1.00 3.40 C ATOM 0 H THR A 66 6.595 -4.655 7.372 1.00 4.48 H new ATOM 0 HA THR A 66 4.416 -5.703 5.750 1.00 3.80 H new ATOM 0 HB THR A 66 4.921 -5.433 8.730 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.289 -7.748 8.472 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.607 -6.283 9.175 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.563 -4.688 8.387 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.229 -6.158 7.441 1.00 3.40 H new ATOM 1060 N LEU A 67 3.106 -3.616 5.731 1.00 4.17 N ATOM 1061 CA LEU A 67 2.296 -2.406 5.505 1.00 3.85 C ATOM 1062 C LEU A 67 0.888 -2.755 5.872 1.00 3.80 C ATOM 1063 O LEU A 67 0.432 -3.884 5.952 1.00 5.54 O ATOM 1064 CB LEU A 67 2.227 -1.940 4.021 1.00 7.18 C ATOM 1065 CG LEU A 67 3.224 -0.880 3.538 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.645 -1.414 3.378 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.707 -0.190 2.273 1.00 11.66 C ATOM 0 H LEU A 67 2.802 -4.408 5.164 1.00 4.17 H new ATOM 0 HA LEU A 67 2.756 -1.609 6.090 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.350 -2.821 3.391 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.223 -1.557 3.841 1.00 7.18 H new ATOM 0 HG LEU A 67 3.297 -0.128 4.323 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.298 -0.612 3.034 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.003 -1.788 4.337 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.649 -2.224 2.649 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.429 0.559 1.946 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.570 -0.930 1.485 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.754 0.294 2.486 1.00 11.66 H new ATOM 1079 N HIS A 68 0.079 -1.690 6.212 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.346 -1.835 6.593 1.00 4.17 C ATOM 1081 C HIS A 68 -2.263 -1.098 5.630 1.00 5.32 C ATOM 1082 O HIS A 68 -2.096 0.030 5.305 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.606 -1.158 7.941 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.490 -2.123 9.034 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.260 -2.238 9.605 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.277 -2.984 9.727 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.362 -3.158 10.627 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.571 -3.649 10.707 1.00 16.30 N ATOM 0 H HIS A 68 0.408 -0.725 6.225 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.543 -2.907 6.603 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.894 -0.346 8.089 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.602 -0.714 7.945 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.329 -3.131 9.534 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.453 -3.437 11.278 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.914 -4.363 11.349 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.359 -1.779 5.206 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.333 -1.273 4.263 1.00 3.97 C ATOM 1098 C LEU A 69 -5.658 -1.032 5.008 1.00 5.07 C ATOM 1099 O LEU A 69 -6.277 -1.964 5.498 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.455 -2.362 3.256 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.647 -2.196 2.306 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.701 -0.840 1.590 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.654 -3.335 1.287 1.00 9.96 C ATOM 0 H LEU A 69 -3.576 -2.720 5.533 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.057 -0.328 3.794 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.538 -2.406 2.669 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.546 -3.316 3.775 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.541 -2.233 2.929 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.574 -0.807 0.938 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.769 -0.041 2.328 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.798 -0.707 0.994 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.502 -3.215 0.613 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.728 -3.315 0.712 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.737 -4.289 1.808 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.111 0.246 5.068 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.348 0.743 5.783 1.00 6.26 C ATOM 1117 C VAL A 70 -8.079 1.437 4.632 1.00 9.22 C ATOM 1118 O VAL A 70 -7.513 1.652 3.561 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.049 1.656 6.993 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.130 0.910 7.999 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.364 2.960 6.612 1.00 8.54 C ATOM 0 H VAL A 70 -5.612 1.004 4.603 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.932 -0.040 6.266 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.016 1.900 7.433 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.922 1.558 8.851 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.629 0.005 8.345 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.194 0.644 7.508 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.184 3.552 7.509 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.414 2.743 6.124 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.003 3.521 5.930 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.363 1.832 4.870 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.162 2.314 3.774 1.00 16.06 C ATOM 1133 C LEU A 71 -10.394 3.819 3.869 1.00 18.09 C ATOM 1134 O LEU A 71 -9.934 4.441 4.825 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.409 1.466 3.517 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.954 0.058 3.091 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.205 -0.890 3.119 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.371 0.070 1.673 1.00 19.57 C ATOM 0 H LEU A 71 -9.825 1.818 5.779 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.586 2.178 2.858 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.023 1.411 4.416 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.023 1.919 2.738 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.180 -0.288 3.776 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.907 -1.895 2.820 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.617 -0.919 4.128 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.961 -0.516 2.429 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.058 -0.938 1.400 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.129 0.418 0.971 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.511 0.739 1.639 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.024 4.368 2.877 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.235 5.837 2.913 1.00 25.83 C ATOM 1152 C ARG A 72 -12.031 6.489 4.074 1.00 27.74 C ATOM 1153 O ARG A 72 -13.052 5.964 4.528 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.806 6.316 1.580 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.444 7.729 1.248 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.394 8.020 -0.297 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.992 9.447 -0.474 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.814 9.970 -1.714 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.230 9.337 -2.772 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.248 11.133 -1.875 1.00 35.02 N ATOM 0 H ARG A 72 -11.394 3.880 2.061 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.222 6.185 3.115 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -11.449 5.662 0.785 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.892 6.224 1.605 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.167 8.399 1.712 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.472 7.958 1.684 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.682 7.358 -0.789 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -12.367 7.837 -0.753 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.849 10.036 0.347 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -11.697 8.435 -2.676 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -11.089 9.743 -3.697 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -9.932 11.663 -1.063 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.121 11.513 -2.813 1.00 35.02 H new ATOM 1174 N LEU A 73 -11.460 7.635 4.530 1.00 28.93 N ATOM 1175 CA LEU A 73 -12.221 8.515 5.404 1.00 30.76 C ATOM 1176 C LEU A 73 -12.309 9.831 4.693 1.00 32.18 C ATOM 1177 O LEU A 73 -11.476 10.161 3.810 1.00 32.31 O ATOM 1178 CB LEU A 73 -11.512 8.786 6.723 1.00 30.53 C ATOM 1179 CG LEU A 73 -11.034 7.464 7.461 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -10.215 7.911 8.652 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -12.156 6.546 7.894 1.00 29.11 C ATOM 0 H LEU A 73 -10.514 7.947 4.309 1.00 28.93 H new ATOM 0 HA LEU A 73 -13.182 8.048 5.619 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -10.648 9.424 6.539 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -12.182 9.339 7.381 1.00 30.53 H new ATOM 0 HG LEU A 73 -10.456 6.863 6.759 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -9.860 7.037 9.198 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -9.362 8.496 8.308 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -10.833 8.523 9.309 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -11.738 5.669 8.389 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -12.812 7.075 8.585 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -12.727 6.232 7.020 1.00 29.11 H new ATOM 1193 N ARG A 74 -13.290 10.713 4.987 1.00 33.82 N ATOM 1194 CA ARG A 74 -13.432 12.031 4.281 1.00 35.33 C ATOM 1195 C ARG A 74 -13.402 13.218 5.217 1.00 36.22 C ATOM 1196 O ARG A 74 -13.164 14.331 4.789 1.00 36.70 O ATOM 1197 CB ARG A 74 -14.829 12.017 3.621 1.00 36.91 C ATOM 1198 CG ARG A 74 -14.957 10.944 2.467 1.00 38.62 C ATOM 1199 CD ARG A 74 -13.952 11.316 1.346 1.00 39.75 C ATOM 1200 NE ARG A 74 -14.347 10.412 0.214 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.250 10.724 -1.099 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -13.703 11.816 -1.560 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.823 9.849 -1.931 1.00 41.93 N ATOM 0 H ARG A 74 -13.998 10.548 5.703 1.00 33.82 H new ATOM 0 HA ARG A 74 -12.601 12.138 3.584 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -15.582 11.815 4.382 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -15.043 13.006 3.215 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -14.746 9.946 2.851 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -15.974 10.926 2.075 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -14.031 12.367 1.068 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -12.921 11.145 1.657 1.00 39.75 H new ATOM 0 HE ARG A 74 -14.717 9.492 0.453 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -13.312 12.502 -0.915 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.666 11.983 -2.566 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -15.288 9.021 -1.559 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -14.795 10.009 -2.938 1.00 41.93 H new ATOM 1217 N GLY A 75 -13.465 12.979 6.555 1.00 36.31 N ATOM 1218 CA GLY A 75 -13.207 13.990 7.552 1.00 36.07 C ATOM 1219 C GLY A 75 -11.772 14.126 8.039 1.00 36.16 C ATOM 1220 O GLY A 75 -11.442 14.767 9.015 1.00 36.26 O ATOM 0 H GLY A 75 -13.699 12.067 6.948 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -13.521 14.953 7.148 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -13.840 13.785 8.415 1.00 36.07 H new ATOM 1224 N GLY A 76 -10.891 13.406 7.408 1.00 36.05 N ATOM 1225 CA GLY A 76 -9.539 13.350 7.892 1.00 36.19 C ATOM 1226 C GLY A 76 -8.771 12.357 7.022 1.00 36.20 C ATOM 1227 O GLY A 76 -8.256 11.306 7.539 1.00 0.00 O ATOM 1228 OXT GLY A 76 -8.668 12.610 5.771 1.00 0.00 O ATOM 0 H GLY A 76 -11.078 12.856 6.569 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -9.076 14.336 7.846 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -9.520 13.037 8.936 1.00 36.19 H new TER 1232 GLY A 76