USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 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 60 ASN : amide:sc= 0.226 K(o=0.48,f=-0.29) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.256 K(o=0.48,f=-0.29) USER MOD Set 2.1: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0.0474 USER MOD Set 3.1: A 7 THR OG1 : rot 140:sc= 1.28 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.13 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 161:sc= 1.12 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 130:sc= 1.06 USER MOD Single : A 1 MET CE :methyl -147:sc= 0 (180deg=-0.0749) USER MOD Single : A 1 MET N :NH3+ -144:sc= 2.23 (180deg=1.55) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= 0.947 (180deg=0.298!) USER MOD Single : A 14 THR OG1 : rot -67:sc= 0.157 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.267 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 1.74 (180deg=1.49) USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0026) USER MOD Single : A 31 GLN : amide:sc= -0.252 K(o=-0.25,f=-1.6!) USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= -0.0618 (180deg=-0.234) USER MOD Single : A 40 GLN : amide:sc= -0.0928 X(o=-0.093,f=-0.022) USER MOD Single : A 41 GLN : amide:sc= 0.323 K(o=0.32,f=-1.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.63) USER MOD Single : A 59 TYR OH : rot 80:sc= 0.222 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 19:sc= -0.306 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.357 K(o=0.36,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.542 -7.493 -4.734 1.00 9.67 N ATOM 2 CA MET A 1 11.452 -7.141 -3.260 1.00 10.38 C ATOM 3 C MET A 1 10.108 -7.514 -2.596 1.00 9.62 C ATOM 4 O MET A 1 9.056 -7.151 -3.114 1.00 9.62 O ATOM 5 CB MET A 1 11.732 -5.655 -3.110 1.00 13.77 C ATOM 6 CG MET A 1 12.023 -5.157 -1.686 1.00 16.29 C ATOM 7 SD MET A 1 12.400 -3.354 -1.364 1.00 17.17 S ATOM 8 CE MET A 1 10.696 -2.829 -1.324 1.00 16.11 C ATOM 0 H1 MET A 1 12.510 -7.798 -4.960 1.00 9.67 H new ATOM 0 H2 MET A 1 10.877 -8.264 -4.948 1.00 9.67 H new ATOM 0 H3 MET A 1 11.300 -6.658 -5.306 1.00 9.67 H new ATOM 0 HA MET A 1 12.196 -7.740 -2.735 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.584 -5.402 -3.742 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.874 -5.105 -3.496 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.161 -5.419 -1.072 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.869 -5.734 -1.311 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.618 -1.816 -1.720 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.093 -3.504 -1.932 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.334 -2.845 -0.296 1.00 16.11 H new ATOM 20 N GLN A 2 10.149 -8.422 -1.572 1.00 9.27 N ATOM 21 CA GLN A 2 8.956 -8.885 -0.884 1.00 9.07 C ATOM 22 C GLN A 2 8.604 -7.990 0.278 1.00 8.72 C ATOM 23 O GLN A 2 9.479 -7.614 1.024 1.00 8.22 O ATOM 24 CB GLN A 2 9.123 -10.365 -0.515 1.00 14.46 C ATOM 25 CG GLN A 2 7.937 -10.958 0.318 1.00 17.01 C ATOM 26 CD GLN A 2 8.084 -12.425 0.482 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.480 -12.984 1.561 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.788 -13.108 -0.627 1.00 19.49 N ATOM 0 H GLN A 2 11.014 -8.835 -1.222 1.00 9.27 H new ATOM 0 HA GLN A 2 8.094 -8.820 -1.549 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.235 -10.946 -1.431 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.046 -10.484 0.053 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.901 -10.481 1.297 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.992 -10.737 -0.179 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.476 -12.613 -1.463 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.874 -14.124 -0.638 1.00 19.49 H new ATOM 37 N ILE A 3 7.264 -7.653 0.415 1.00 5.87 N ATOM 38 CA ILE A 3 6.654 -6.753 1.473 1.00 5.07 C ATOM 39 C ILE A 3 5.305 -7.360 1.696 1.00 4.01 C ATOM 40 O ILE A 3 4.874 -8.127 0.814 1.00 4.61 O ATOM 41 CB ILE A 3 6.559 -5.248 1.153 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.880 -5.028 -0.215 1.00 4.72 C ATOM 43 CG2 ILE A 3 8.005 -4.626 1.196 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.761 -3.534 -0.548 1.00 10.83 C ATOM 0 H ILE A 3 6.560 -8.013 -0.229 1.00 5.87 H new ATOM 0 HA ILE A 3 7.304 -6.727 2.348 1.00 5.07 H new ATOM 0 HB ILE A 3 5.942 -4.746 1.898 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.454 -5.531 -0.993 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.888 -5.481 -0.208 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.950 -3.561 0.971 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.432 -4.765 2.189 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.636 -5.121 0.458 1.00 5.58 H new ATOM 0 HD11 ILE A 3 5.278 -3.415 -1.518 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.165 -3.037 0.217 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.755 -3.088 -0.580 1.00 10.83 H new ATOM 56 N PHE A 4 4.653 -7.193 2.839 1.00 4.55 N ATOM 57 CA PHE A 4 3.333 -7.774 3.207 1.00 4.68 C ATOM 58 C PHE A 4 2.324 -6.636 3.375 1.00 5.30 C ATOM 59 O PHE A 4 2.701 -5.524 3.676 1.00 5.58 O ATOM 60 CB PHE A 4 3.323 -8.569 4.546 1.00 4.83 C ATOM 61 CG PHE A 4 4.456 -9.632 4.433 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.209 -10.899 3.940 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.771 -9.282 4.976 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.284 -11.819 3.919 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.700 -10.271 5.103 1.00 10.61 C ATOM 66 CZ PHE A 4 6.497 -11.545 4.564 1.00 8.90 C ATOM 0 H PHE A 4 5.038 -6.619 3.589 1.00 4.55 H new ATOM 0 HA PHE A 4 3.087 -8.468 2.403 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.496 -7.905 5.393 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.357 -9.047 4.707 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.229 -11.178 3.583 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.998 -8.267 5.268 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.166 -12.755 3.393 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.618 -10.065 5.634 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.261 -12.304 4.643 1.00 8.90 H new ATOM 76 N VAL A 5 1.002 -6.902 3.097 1.00 4.44 N ATOM 77 CA VAL A 5 -0.027 -5.850 3.178 1.00 3.87 C ATOM 78 C VAL A 5 -1.061 -6.533 4.068 1.00 4.93 C ATOM 79 O VAL A 5 -1.611 -7.657 3.826 1.00 6.84 O ATOM 80 CB VAL A 5 -0.531 -5.462 1.772 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.653 -4.474 1.904 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.582 -4.749 0.971 1.00 9.13 C ATOM 0 H VAL A 5 0.649 -7.819 2.823 1.00 4.44 H new ATOM 0 HA VAL A 5 0.296 -4.890 3.582 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.846 -6.375 1.266 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.012 -4.197 0.913 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.467 -4.922 2.473 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.295 -3.584 2.422 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.206 -4.484 -0.017 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.887 -3.845 1.498 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.439 -5.415 0.867 1.00 9.13 H new ATOM 92 N LYS A 6 -1.380 -5.911 5.239 1.00 6.04 N ATOM 93 CA LYS A 6 -2.247 -6.419 6.283 1.00 6.12 C ATOM 94 C LYS A 6 -3.617 -5.678 6.430 1.00 6.57 C ATOM 95 O LYS A 6 -3.787 -4.524 6.825 1.00 5.76 O ATOM 96 CB LYS A 6 -1.670 -6.364 7.748 1.00 7.45 C ATOM 97 CG LYS A 6 -0.392 -7.125 7.971 1.00 11.12 C ATOM 98 CD LYS A 6 -0.488 -8.596 8.249 1.00 14.54 C ATOM 99 CE LYS A 6 0.712 -9.217 8.929 1.00 18.84 C ATOM 100 NZ LYS A 6 0.468 -10.611 9.283 1.00 20.55 N ATOM 0 H LYS A 6 -1.005 -4.991 5.469 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.353 -7.442 5.922 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.502 -5.320 8.014 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.426 -6.750 8.432 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.234 -6.992 7.089 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.132 -6.661 8.807 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.366 -8.773 8.870 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.656 -9.115 7.305 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.577 -9.155 8.269 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.955 -8.650 9.828 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.376 -11.093 9.442 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.104 -10.654 10.151 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.042 -11.082 8.509 1.00 20.55 H new ATOM 114 N THR A 7 -4.694 -6.486 6.210 1.00 7.41 N ATOM 115 CA THR A 7 -6.018 -5.833 6.359 1.00 7.48 C ATOM 116 C THR A 7 -6.481 -5.943 7.804 1.00 8.75 C ATOM 117 O THR A 7 -5.943 -6.659 8.644 1.00 8.58 O ATOM 118 CB THR A 7 -7.097 -6.491 5.461 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.448 -7.764 5.932 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.584 -6.627 4.009 1.00 9.17 C ATOM 0 H THR A 7 -4.683 -7.474 5.958 1.00 7.41 H new ATOM 0 HA THR A 7 -5.898 -4.792 6.059 1.00 7.48 H new ATOM 0 HB THR A 7 -7.975 -5.846 5.488 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.417 -7.888 5.848 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.354 -7.091 3.393 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.348 -5.639 3.612 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.687 -7.247 3.996 1.00 9.17 H new ATOM 128 N LEU A 8 -7.502 -5.173 8.112 1.00 9.84 N ATOM 129 CA LEU A 8 -8.254 -5.305 9.415 1.00 14.15 C ATOM 130 C LEU A 8 -9.041 -6.570 9.490 1.00 17.37 C ATOM 131 O LEU A 8 -9.422 -6.980 10.577 1.00 17.01 O ATOM 132 CB LEU A 8 -9.112 -4.092 9.648 1.00 16.63 C ATOM 133 CG LEU A 8 -8.299 -2.752 9.648 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.223 -1.595 10.080 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.076 -2.788 10.659 1.00 18.59 C ATOM 0 H LEU A 8 -7.857 -4.438 7.501 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.520 -5.361 10.219 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.879 -4.044 8.875 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.627 -4.197 10.603 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.916 -2.611 8.637 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.661 -0.661 10.081 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.057 -1.516 9.383 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.605 -1.789 11.082 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.545 -1.837 10.622 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.445 -2.958 11.670 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.397 -3.594 10.380 1.00 18.59 H new ATOM 147 N THR A 9 -9.369 -7.232 8.400 1.00 18.33 N ATOM 148 CA THR A 9 -10.126 -8.469 8.210 1.00 19.24 C ATOM 149 C THR A 9 -9.166 -9.673 8.231 1.00 19.48 C ATOM 150 O THR A 9 -9.453 -10.799 7.818 1.00 23.14 O ATOM 151 CB THR A 9 -10.940 -8.395 6.914 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.166 -8.058 5.817 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.066 -7.309 7.003 1.00 19.70 C ATOM 0 H THR A 9 -9.071 -6.868 7.495 1.00 18.33 H new ATOM 0 HA THR A 9 -10.835 -8.600 9.027 1.00 19.24 H new ATOM 0 HB THR A 9 -11.358 -9.394 6.790 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.730 -8.025 5.016 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.623 -7.285 6.066 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.743 -7.553 7.821 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.616 -6.333 7.183 1.00 19.70 H new ATOM 161 N GLY A 10 -7.947 -9.524 8.743 1.00 19.43 N ATOM 162 CA GLY A 10 -7.048 -10.643 9.108 1.00 18.74 C ATOM 163 C GLY A 10 -6.262 -11.281 8.038 1.00 17.62 C ATOM 164 O GLY A 10 -5.795 -12.394 8.194 1.00 19.74 O ATOM 0 H GLY A 10 -7.537 -8.608 8.924 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.350 -10.277 9.861 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.653 -11.415 9.582 1.00 18.74 H new ATOM 168 N LYS A 11 -6.226 -10.640 6.887 1.00 13.56 N ATOM 169 CA LYS A 11 -5.620 -11.150 5.724 1.00 11.91 C ATOM 170 C LYS A 11 -4.236 -10.603 5.510 1.00 10.18 C ATOM 171 O LYS A 11 -4.124 -9.392 5.461 1.00 9.10 O ATOM 172 CB LYS A 11 -6.560 -10.763 4.537 1.00 13.43 C ATOM 173 CG LYS A 11 -6.049 -11.266 3.162 1.00 16.69 C ATOM 174 CD LYS A 11 -7.025 -10.900 2.032 1.00 17.92 C ATOM 175 CE LYS A 11 -6.808 -11.808 0.796 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.976 -11.784 -0.071 1.00 21.93 N ATOM 0 H LYS A 11 -6.640 -9.717 6.756 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.496 -12.230 5.808 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.553 -11.173 4.720 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.664 -9.679 4.504 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.071 -10.832 2.955 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.917 -12.348 3.195 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.051 -11.000 2.386 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.886 -9.856 1.750 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.931 -11.473 0.242 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.610 -12.830 1.119 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.711 -12.118 -1.020 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.712 -12.405 0.321 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.341 -10.812 -0.135 1.00 21.93 H new ATOM 190 N THR A 12 -3.191 -11.460 5.308 1.00 9.63 N ATOM 191 CA THR A 12 -1.846 -11.081 4.894 1.00 9.85 C ATOM 192 C THR A 12 -1.770 -11.306 3.429 1.00 11.66 C ATOM 193 O THR A 12 -1.769 -12.432 2.958 1.00 12.33 O ATOM 194 CB THR A 12 -0.659 -11.716 5.662 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.919 -11.607 7.065 1.00 10.91 O ATOM 196 CG2 THR A 12 0.716 -11.053 5.283 1.00 9.63 C ATOM 0 H THR A 12 -3.288 -12.467 5.440 1.00 9.63 H new ATOM 0 HA THR A 12 -1.711 -10.032 5.159 1.00 9.85 H new ATOM 0 HB THR A 12 -0.574 -12.765 5.380 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.793 -12.481 7.490 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.518 -11.531 5.846 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.898 -11.178 4.216 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.686 -9.990 5.524 1.00 9.63 H new ATOM 204 N ILE A 13 -1.689 -10.254 2.645 1.00 10.42 N ATOM 205 CA ILE A 13 -1.445 -10.324 1.172 1.00 11.84 C ATOM 206 C ILE A 13 0.002 -10.149 1.057 1.00 10.55 C ATOM 207 O ILE A 13 0.464 -9.196 1.718 1.00 11.92 O ATOM 208 CB ILE A 13 -2.151 -9.242 0.383 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.552 -8.954 0.904 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.139 -9.643 -1.138 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.217 -7.730 0.427 1.00 16.46 C ATOM 0 H ILE A 13 -1.788 -9.300 2.992 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.827 -11.259 0.763 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.613 -8.302 0.508 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.187 -9.803 0.649 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.503 -8.908 1.992 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.644 -8.873 -1.721 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.109 -9.740 -1.481 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.656 -10.594 -1.268 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.206 -7.653 0.879 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.622 -6.860 0.706 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.316 -7.769 -0.658 1.00 16.46 H new ATOM 223 N THR A 14 0.675 -10.841 0.178 1.00 9.39 N ATOM 224 CA THR A 14 2.106 -10.696 -0.136 1.00 9.63 C ATOM 225 C THR A 14 2.258 -10.075 -1.543 1.00 11.20 C ATOM 226 O THR A 14 1.509 -10.430 -2.457 1.00 11.63 O ATOM 227 CB THR A 14 2.832 -12.061 -0.094 1.00 10.38 C ATOM 228 OG1 THR A 14 2.776 -12.549 1.237 1.00 16.30 O ATOM 229 CG2 THR A 14 4.260 -12.086 -0.557 1.00 11.66 C ATOM 0 H THR A 14 0.230 -11.569 -0.381 1.00 9.39 H new ATOM 0 HA THR A 14 2.559 -10.047 0.614 1.00 9.63 H new ATOM 0 HB THR A 14 2.303 -12.685 -0.814 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.311 -11.971 1.820 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.651 -13.100 -0.477 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.312 -11.758 -1.595 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.856 -11.418 0.065 1.00 11.66 H new ATOM 237 N LEU A 15 3.255 -9.164 -1.701 1.00 8.29 N ATOM 238 CA LEU A 15 3.481 -8.457 -2.900 1.00 9.03 C ATOM 239 C LEU A 15 4.892 -8.771 -3.426 1.00 8.59 C ATOM 240 O LEU A 15 5.840 -9.093 -2.644 1.00 7.79 O ATOM 241 CB LEU A 15 3.394 -6.905 -2.807 1.00 11.08 C ATOM 242 CG LEU A 15 2.040 -6.209 -2.297 1.00 15.79 C ATOM 243 CD1 LEU A 15 2.175 -4.675 -2.410 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.820 -6.679 -2.991 1.00 15.27 C ATOM 0 H LEU A 15 3.913 -8.927 -0.959 1.00 8.29 H new ATOM 0 HA LEU A 15 2.675 -8.792 -3.553 1.00 9.03 H new ATOM 0 HB2 LEU A 15 4.197 -6.574 -2.149 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.610 -6.508 -3.799 1.00 11.08 H new ATOM 0 HG LEU A 15 1.911 -6.503 -1.255 1.00 15.79 H new ATOM 0 HD11 LEU A 15 1.256 -4.202 -2.064 1.00 15.88 H new ATOM 0 HD12 LEU A 15 3.010 -4.337 -1.796 1.00 15.88 H new ATOM 0 HD13 LEU A 15 2.354 -4.401 -3.450 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.050 -6.161 -2.588 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.905 -6.471 -4.058 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.705 -7.752 -2.839 1.00 15.27 H new ATOM 256 N GLU A 16 5.114 -8.669 -4.776 1.00 11.04 N ATOM 257 CA GLU A 16 6.424 -8.644 -5.335 1.00 11.50 C ATOM 258 C GLU A 16 6.517 -7.316 -6.099 1.00 10.13 C ATOM 259 O GLU A 16 5.773 -7.054 -7.043 1.00 9.83 O ATOM 260 CB GLU A 16 6.706 -9.880 -6.163 1.00 17.22 C ATOM 261 CG GLU A 16 8.163 -9.841 -6.767 1.00 23.33 C ATOM 262 CD GLU A 16 9.155 -10.136 -5.691 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.891 -11.135 -4.989 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.157 -9.419 -5.564 1.00 28.86 O ATOM 0 H GLU A 16 4.366 -8.605 -5.467 1.00 11.04 H new ATOM 0 HA GLU A 16 7.206 -8.680 -4.577 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.590 -10.770 -5.544 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.977 -9.955 -6.970 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.255 -10.571 -7.571 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.362 -8.861 -7.202 1.00 23.33 H new ATOM 271 N VAL A 17 7.362 -6.438 -5.540 1.00 8.99 N ATOM 272 CA VAL A 17 7.669 -5.087 -6.017 1.00 8.85 C ATOM 273 C VAL A 17 9.146 -4.813 -6.222 1.00 8.04 C ATOM 274 O VAL A 17 10.062 -5.496 -5.744 1.00 8.99 O ATOM 275 CB VAL A 17 7.068 -4.039 -5.140 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.533 -4.142 -5.031 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.741 -4.013 -3.743 1.00 10.54 C ATOM 0 H VAL A 17 7.879 -6.669 -4.692 1.00 8.99 H new ATOM 0 HA VAL A 17 7.209 -5.037 -7.004 1.00 8.85 H new ATOM 0 HB VAL A 17 7.269 -3.085 -5.627 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.161 -3.352 -4.379 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.090 -4.035 -6.021 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.262 -5.113 -4.615 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.279 -3.239 -3.131 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.614 -4.982 -3.260 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.804 -3.801 -3.855 1.00 10.54 H new ATOM 287 N GLU A 18 9.457 -3.652 -6.818 1.00 7.29 N ATOM 288 CA GLU A 18 10.775 -3.037 -6.929 1.00 7.08 C ATOM 289 C GLU A 18 10.772 -1.772 -6.081 1.00 6.45 C ATOM 290 O GLU A 18 9.777 -1.057 -6.010 1.00 5.28 O ATOM 291 CB GLU A 18 11.055 -2.775 -8.390 1.00 10.28 C ATOM 292 CG GLU A 18 12.414 -2.151 -8.842 1.00 12.65 C ATOM 293 CD GLU A 18 12.514 -2.114 -10.388 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.913 -1.233 -11.002 1.00 14.33 O ATOM 295 OE2 GLU A 18 13.277 -2.908 -10.970 1.00 18.17 O ATOM 0 H GLU A 18 8.738 -3.083 -7.265 1.00 7.29 H new ATOM 0 HA GLU A 18 11.572 -3.682 -6.559 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.949 -3.726 -8.912 1.00 10.28 H new ATOM 0 HB3 GLU A 18 10.264 -2.120 -8.756 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.507 -1.141 -8.443 1.00 12.65 H new ATOM 0 HG3 GLU A 18 13.240 -2.732 -8.433 1.00 12.65 H new ATOM 302 N PRO A 19 11.817 -1.428 -5.368 1.00 7.24 N ATOM 303 CA PRO A 19 11.842 -0.223 -4.517 1.00 7.07 C ATOM 304 C PRO A 19 11.759 1.147 -5.236 1.00 6.65 C ATOM 305 O PRO A 19 11.439 2.129 -4.621 1.00 6.37 O ATOM 306 CB PRO A 19 13.181 -0.281 -3.732 1.00 7.61 C ATOM 307 CG PRO A 19 14.097 -1.338 -4.503 1.00 8.16 C ATOM 308 CD PRO A 19 13.019 -2.255 -5.166 1.00 7.49 C ATOM 0 HA PRO A 19 10.940 -0.257 -3.907 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.658 0.699 -3.700 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.015 -0.588 -2.699 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.741 -0.861 -5.242 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.746 -1.892 -3.824 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.380 -2.650 -6.116 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.796 -3.111 -4.529 1.00 7.49 H new ATOM 316 N SER A 20 11.917 1.135 -6.576 1.00 6.80 N ATOM 317 CA SER A 20 11.657 2.315 -7.374 1.00 6.28 C ATOM 318 C SER A 20 10.217 2.452 -7.854 1.00 8.45 C ATOM 319 O SER A 20 9.930 3.322 -8.662 1.00 7.26 O ATOM 320 CB SER A 20 12.581 2.274 -8.561 1.00 8.57 C ATOM 321 OG SER A 20 13.956 2.284 -8.215 1.00 11.13 O ATOM 0 H SER A 20 12.221 0.321 -7.109 1.00 6.80 H new ATOM 0 HA SER A 20 11.831 3.182 -6.737 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.369 1.378 -9.144 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.371 3.129 -9.203 1.00 8.57 H new ATOM 0 HG SER A 20 14.499 2.254 -9.030 1.00 11.13 H new ATOM 327 N ASP A 21 9.333 1.523 -7.354 1.00 7.50 N ATOM 328 CA ASP A 21 7.885 1.518 -7.695 1.00 7.70 C ATOM 329 C ASP A 21 7.224 2.628 -6.925 1.00 7.08 C ATOM 330 O ASP A 21 7.693 3.017 -5.845 1.00 8.11 O ATOM 331 CB ASP A 21 7.224 0.104 -7.449 1.00 11.00 C ATOM 332 CG ASP A 21 7.658 -0.933 -8.461 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.145 -0.503 -9.567 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.473 -2.123 -8.185 1.00 18.03 O ATOM 0 H ASP A 21 9.608 0.775 -6.717 1.00 7.50 H new ATOM 0 HA ASP A 21 7.748 1.700 -8.761 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.481 -0.243 -6.448 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.139 0.205 -7.482 1.00 11.00 H new ATOM 339 N THR A 22 6.070 3.055 -7.350 1.00 5.37 N ATOM 340 CA THR A 22 5.299 4.155 -6.803 1.00 6.01 C ATOM 341 C THR A 22 4.219 3.519 -5.938 1.00 8.01 C ATOM 342 O THR A 22 3.754 2.404 -6.232 1.00 8.11 O ATOM 343 CB THR A 22 4.710 5.178 -7.881 1.00 8.92 C ATOM 344 OG1 THR A 22 3.575 4.733 -8.667 1.00 10.22 O ATOM 345 CG2 THR A 22 5.842 5.509 -8.956 1.00 9.65 C ATOM 0 H THR A 22 5.602 2.618 -8.144 1.00 5.37 H new ATOM 0 HA THR A 22 5.957 4.801 -6.221 1.00 6.01 H new ATOM 0 HB THR A 22 4.376 6.015 -7.268 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.307 5.444 -9.286 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.449 6.206 -9.696 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.700 5.957 -8.455 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.152 4.590 -9.453 1.00 9.65 H new ATOM 353 N ILE A 23 3.741 4.237 -4.931 1.00 8.32 N ATOM 354 CA ILE A 23 2.606 3.881 -4.101 1.00 9.92 C ATOM 355 C ILE A 23 1.353 3.671 -4.931 1.00 10.01 C ATOM 356 O ILE A 23 0.494 2.892 -4.615 1.00 8.71 O ATOM 357 CB ILE A 23 2.308 4.844 -2.988 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.398 4.795 -1.995 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.869 4.766 -2.349 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.531 3.461 -1.251 1.00 12.30 C ATOM 0 H ILE A 23 4.158 5.128 -4.660 1.00 8.32 H new ATOM 0 HA ILE A 23 2.908 2.946 -3.629 1.00 9.92 H new ATOM 0 HB ILE A 23 2.275 5.832 -3.448 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.340 5.009 -2.500 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.241 5.588 -1.264 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.781 5.511 -1.559 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.119 4.960 -3.116 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.710 3.772 -1.930 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.358 3.520 -0.543 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.607 3.251 -0.713 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.723 2.662 -1.967 1.00 12.30 H new ATOM 372 N GLU A 24 1.155 4.466 -6.007 1.00 9.54 N ATOM 373 CA GLU A 24 0.068 4.331 -6.922 1.00 11.81 C ATOM 374 C GLU A 24 0.033 2.959 -7.552 1.00 11.14 C ATOM 375 O GLU A 24 -1.002 2.238 -7.494 1.00 10.62 O ATOM 376 CB GLU A 24 0.283 5.408 -7.999 1.00 19.24 C ATOM 377 CG GLU A 24 -0.844 5.416 -9.055 1.00 27.76 C ATOM 378 CD GLU A 24 -0.536 6.369 -10.193 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.735 7.650 -10.052 1.00 34.80 O ATOM 380 OE2 GLU A 24 0.020 5.788 -11.194 1.00 36.51 O ATOM 0 H GLU A 24 1.783 5.234 -6.244 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.884 4.454 -6.406 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.339 6.387 -7.524 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.240 5.238 -8.493 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.981 4.409 -9.450 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.784 5.704 -8.583 1.00 27.76 H new ATOM 387 N ASN A 25 1.220 2.471 -8.007 1.00 9.43 N ATOM 388 CA ASN A 25 1.439 1.128 -8.505 1.00 10.96 C ATOM 389 C ASN A 25 1.259 0.035 -7.475 1.00 9.68 C ATOM 390 O ASN A 25 0.663 -0.993 -7.727 1.00 9.33 O ATOM 391 CB ASN A 25 2.833 1.116 -9.155 1.00 16.78 C ATOM 392 CG ASN A 25 3.035 -0.050 -10.080 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.921 -0.887 -9.875 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.349 -0.093 -11.255 1.00 24.70 N ATOM 0 H ASN A 25 2.066 3.040 -8.028 1.00 9.43 H new ATOM 0 HA ASN A 25 0.667 0.889 -9.236 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.978 2.043 -9.710 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.593 1.090 -8.374 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.570 -0.808 -11.948 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.614 0.589 -11.442 1.00 24.70 H new ATOM 401 N VAL A 26 1.703 0.237 -6.175 1.00 6.52 N ATOM 402 CA VAL A 26 1.280 -0.665 -5.088 1.00 5.53 C ATOM 403 C VAL A 26 -0.201 -0.780 -4.858 1.00 4.42 C ATOM 404 O VAL A 26 -0.742 -1.847 -4.716 1.00 3.40 O ATOM 405 CB VAL A 26 1.883 -0.261 -3.732 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.415 -1.185 -2.616 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.409 -0.308 -3.880 1.00 8.12 C ATOM 0 H VAL A 26 2.327 0.991 -5.889 1.00 6.52 H new ATOM 0 HA VAL A 26 1.649 -1.626 -5.446 1.00 5.53 H new ATOM 0 HB VAL A 26 1.554 0.742 -3.459 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.860 -0.870 -1.672 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.329 -1.140 -2.538 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.720 -2.208 -2.838 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.875 -0.027 -2.936 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.717 -1.318 -4.150 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.721 0.387 -4.660 1.00 8.12 H new ATOM 417 N LYS A 27 -0.970 0.304 -4.874 1.00 2.64 N ATOM 418 CA LYS A 27 -2.408 0.397 -4.835 1.00 4.14 C ATOM 419 C LYS A 27 -3.103 -0.271 -6.035 1.00 5.58 C ATOM 420 O LYS A 27 -4.143 -0.955 -5.857 1.00 4.11 O ATOM 421 CB LYS A 27 -2.919 1.864 -4.595 1.00 3.97 C ATOM 422 CG LYS A 27 -2.437 2.467 -3.246 1.00 7.45 C ATOM 423 CD LYS A 27 -3.313 3.676 -2.858 1.00 9.02 C ATOM 424 CE LYS A 27 -2.932 4.937 -3.701 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.859 6.052 -3.566 1.00 15.47 N ATOM 0 H LYS A 27 -0.547 1.231 -4.919 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.703 -0.184 -3.961 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.577 2.499 -5.412 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.009 1.871 -4.620 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.483 1.709 -2.464 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.395 2.776 -3.329 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.364 3.433 -3.015 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.191 3.893 -1.797 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.937 5.270 -3.406 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.874 4.653 -4.752 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.635 6.778 -4.276 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.832 5.714 -3.711 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.773 6.461 -2.614 1.00 15.47 H new ATOM 439 N ALA A 28 -2.554 -0.201 -7.256 1.00 6.61 N ATOM 440 CA ALA A 28 -2.925 -0.940 -8.432 1.00 7.74 C ATOM 441 C ALA A 28 -2.621 -2.412 -8.263 1.00 9.17 C ATOM 442 O ALA A 28 -3.352 -3.226 -8.827 1.00 11.45 O ATOM 443 CB ALA A 28 -2.137 -0.514 -9.668 1.00 7.68 C ATOM 0 H ALA A 28 -1.776 0.432 -7.443 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.989 -0.744 -8.563 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.458 -1.105 -10.526 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.316 0.543 -9.867 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.073 -0.675 -9.495 1.00 7.68 H new ATOM 449 N LYS A 29 -1.504 -2.859 -7.546 1.00 8.96 N ATOM 450 CA LYS A 29 -1.197 -4.289 -7.356 1.00 7.90 C ATOM 451 C LYS A 29 -2.227 -4.912 -6.458 1.00 6.92 C ATOM 452 O LYS A 29 -2.620 -6.061 -6.611 1.00 6.87 O ATOM 453 CB LYS A 29 0.231 -4.589 -6.901 1.00 10.28 C ATOM 454 CG LYS A 29 0.710 -6.083 -6.921 1.00 14.94 C ATOM 455 CD LYS A 29 2.271 -6.206 -6.945 1.00 19.69 C ATOM 456 CE LYS A 29 2.875 -6.321 -8.314 1.00 22.63 C ATOM 457 NZ LYS A 29 3.155 -5.032 -9.005 1.00 24.98 N ATOM 0 H LYS A 29 -0.830 -2.231 -7.109 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.249 -4.750 -8.342 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.910 -4.012 -7.529 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.343 -4.216 -5.883 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.321 -6.599 -6.043 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.295 -6.584 -7.796 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.697 -5.335 -6.448 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.561 -7.080 -6.361 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.808 -6.880 -8.234 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.204 -6.909 -8.939 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.585 -5.222 -9.933 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.266 -4.508 -9.136 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.810 -4.465 -8.430 1.00 24.98 H new ATOM 471 N ILE A 30 -2.700 -4.150 -5.481 1.00 4.57 N ATOM 472 CA ILE A 30 -3.811 -4.417 -4.635 1.00 5.58 C ATOM 473 C ILE A 30 -5.088 -4.477 -5.429 1.00 7.26 C ATOM 474 O ILE A 30 -5.875 -5.402 -5.328 1.00 9.46 O ATOM 475 CB ILE A 30 -3.873 -3.498 -3.411 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.599 -3.729 -2.525 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.186 -3.555 -2.594 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.585 -5.215 -2.043 1.00 2.00 C ATOM 0 H ILE A 30 -2.264 -3.256 -5.257 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.668 -5.409 -4.206 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.878 -2.477 -3.793 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.697 -3.509 -3.096 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.607 -3.054 -1.669 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.121 -2.866 -1.752 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.024 -3.271 -3.231 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.340 -4.568 -2.223 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.704 -5.389 -1.426 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.483 -5.416 -1.459 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.559 -5.878 -2.908 1.00 2.00 H new ATOM 490 N GLN A 31 -5.317 -3.585 -6.405 1.00 7.06 N ATOM 491 CA GLN A 31 -6.448 -3.551 -7.297 1.00 8.67 C ATOM 492 C GLN A 31 -6.554 -4.722 -8.246 1.00 10.90 C ATOM 493 O GLN A 31 -7.600 -5.334 -8.439 1.00 9.63 O ATOM 494 CB GLN A 31 -6.416 -2.240 -8.156 1.00 9.12 C ATOM 495 CG GLN A 31 -7.952 -2.026 -8.550 1.00 10.76 C ATOM 496 CD GLN A 31 -8.072 -0.877 -9.510 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.168 -0.085 -9.679 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.292 -0.718 -10.157 1.00 14.76 N ATOM 0 H GLN A 31 -4.663 -2.824 -6.590 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.316 -3.595 -6.639 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.024 -1.396 -7.589 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.785 -2.351 -9.038 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.352 -2.934 -9.002 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.543 -1.829 -7.656 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.042 -1.392 -10.004 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.437 0.073 -10.784 1.00 14.76 H new ATOM 507 N ASP A 32 -5.415 -5.074 -8.833 1.00 10.93 N ATOM 508 CA ASP A 32 -5.132 -6.312 -9.652 1.00 14.01 C ATOM 509 C ASP A 32 -5.455 -7.582 -8.876 1.00 14.04 C ATOM 510 O ASP A 32 -6.096 -8.492 -9.429 1.00 13.39 O ATOM 511 CB ASP A 32 -3.647 -6.281 -10.030 1.00 18.01 C ATOM 512 CG ASP A 32 -3.451 -7.360 -11.027 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.957 -7.135 -12.160 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.708 -8.359 -10.785 1.00 26.29 O ATOM 0 H ASP A 32 -4.589 -4.480 -8.762 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.762 -6.318 -10.542 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.371 -5.312 -10.446 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.019 -6.442 -9.154 1.00 18.01 H new ATOM 519 N LYS A 33 -5.091 -7.702 -7.603 1.00 14.22 N ATOM 520 CA LYS A 33 -5.355 -8.849 -6.837 1.00 14.00 C ATOM 521 C LYS A 33 -6.750 -8.870 -6.206 1.00 12.37 C ATOM 522 O LYS A 33 -7.490 -9.807 -6.479 1.00 12.17 O ATOM 523 CB LYS A 33 -4.347 -8.750 -5.630 1.00 18.62 C ATOM 524 CG LYS A 33 -2.971 -9.281 -5.957 1.00 24.00 C ATOM 525 CD LYS A 33 -1.961 -9.102 -4.784 1.00 27.61 C ATOM 526 CE LYS A 33 -0.587 -9.741 -4.995 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.699 -11.151 -5.475 1.00 30.06 N ATOM 0 H LYS A 33 -4.595 -6.972 -7.092 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.271 -9.726 -7.478 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.263 -7.708 -5.320 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.751 -9.303 -4.782 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.045 -10.339 -6.209 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.589 -8.769 -6.840 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.823 -8.036 -4.606 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.403 -9.522 -3.880 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.021 -9.155 -5.719 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.028 -9.719 -4.059 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.237 -11.603 -5.445 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.357 -11.675 -4.863 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.055 -11.158 -6.452 1.00 30.06 H new ATOM 541 N GLU A 34 -7.205 -7.821 -5.497 1.00 10.11 N ATOM 542 CA GLU A 34 -8.406 -7.666 -4.626 1.00 10.07 C ATOM 543 C GLU A 34 -9.559 -6.793 -5.217 1.00 9.32 C ATOM 544 O GLU A 34 -10.708 -6.865 -4.724 1.00 11.61 O ATOM 545 CB GLU A 34 -7.907 -7.057 -3.306 1.00 14.77 C ATOM 546 CG GLU A 34 -6.906 -7.956 -2.497 1.00 18.75 C ATOM 547 CD GLU A 34 -7.505 -9.199 -1.893 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.255 -9.122 -0.871 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.324 -10.306 -2.475 1.00 21.95 O ATOM 0 H GLU A 34 -6.679 -6.947 -5.518 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.859 -8.650 -4.506 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.423 -6.105 -3.523 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.769 -6.840 -2.675 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.090 -8.249 -3.158 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.469 -7.357 -1.698 1.00 18.75 H new ATOM 556 N GLY A 35 -9.309 -5.998 -6.255 1.00 7.22 N ATOM 557 CA GLY A 35 -10.420 -5.221 -6.877 1.00 6.29 C ATOM 558 C GLY A 35 -10.769 -4.021 -6.127 1.00 6.93 C ATOM 559 O GLY A 35 -11.677 -3.274 -6.454 1.00 7.41 O ATOM 0 H GLY A 35 -8.392 -5.865 -6.682 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.135 -4.939 -7.890 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.300 -5.859 -6.960 1.00 6.29 H new ATOM 563 N ILE A 36 -9.942 -3.717 -5.155 1.00 5.86 N ATOM 564 CA ILE A 36 -10.219 -2.581 -4.265 1.00 6.07 C ATOM 565 C ILE A 36 -9.673 -1.304 -4.929 1.00 6.36 C ATOM 566 O ILE A 36 -8.608 -1.247 -5.528 1.00 6.18 O ATOM 567 CB ILE A 36 -9.590 -2.784 -2.860 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.979 -4.100 -2.183 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.905 -1.544 -1.918 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.030 -4.546 -1.110 1.00 9.49 C ATOM 0 H ILE A 36 -9.080 -4.223 -4.950 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.295 -2.497 -4.115 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.514 -2.848 -3.024 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.974 -3.992 -1.750 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.044 -4.880 -2.942 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.455 -1.707 -0.939 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.493 -0.637 -2.360 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.984 -1.436 -1.808 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.380 -5.486 -0.683 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.038 -4.689 -1.538 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.982 -3.788 -0.329 1.00 9.49 H new ATOM 582 N PRO A 37 -10.446 -0.212 -4.969 1.00 8.65 N ATOM 583 CA PRO A 37 -10.005 0.966 -5.763 1.00 9.18 C ATOM 584 C PRO A 37 -8.916 1.738 -5.182 1.00 9.85 C ATOM 585 O PRO A 37 -9.117 2.025 -3.972 1.00 8.51 O ATOM 586 CB PRO A 37 -11.318 1.779 -5.876 1.00 11.42 C ATOM 587 CG PRO A 37 -12.463 0.781 -5.765 1.00 9.27 C ATOM 588 CD PRO A 37 -11.914 -0.176 -4.698 1.00 8.33 C ATOM 0 HA PRO A 37 -9.565 0.674 -6.717 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.379 2.527 -5.086 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.361 2.314 -6.825 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.394 1.255 -5.454 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.662 0.275 -6.710 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.126 0.184 -3.691 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.360 -1.167 -4.782 1.00 8.33 H new ATOM 596 N PRO A 38 -7.848 2.175 -5.799 1.00 8.71 N ATOM 597 CA PRO A 38 -6.833 3.030 -5.219 1.00 9.08 C ATOM 598 C PRO A 38 -7.234 4.331 -4.502 1.00 9.28 C ATOM 599 O PRO A 38 -6.533 4.785 -3.575 1.00 6.50 O ATOM 600 CB PRO A 38 -5.869 3.253 -6.331 1.00 10.31 C ATOM 601 CG PRO A 38 -5.868 1.915 -7.130 1.00 10.81 C ATOM 602 CD PRO A 38 -7.427 1.704 -7.147 1.00 12.00 C ATOM 0 HA PRO A 38 -6.432 2.512 -4.348 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.176 4.089 -6.959 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.875 3.488 -5.952 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.436 2.009 -8.126 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.331 1.113 -6.624 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.903 2.279 -7.941 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.690 0.659 -7.309 1.00 12.00 H new ATOM 610 N ASP A 39 -8.379 4.893 -4.799 1.00 11.20 N ATOM 611 CA ASP A 39 -8.855 6.017 -4.105 1.00 14.96 C ATOM 612 C ASP A 39 -9.750 5.650 -2.906 1.00 13.99 C ATOM 613 O ASP A 39 -10.289 6.497 -2.225 1.00 13.75 O ATOM 614 CB ASP A 39 -9.764 6.894 -4.993 1.00 24.16 C ATOM 615 CG ASP A 39 -8.973 7.459 -6.146 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.384 8.571 -6.021 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.009 6.838 -7.218 1.00 35.55 O ATOM 0 H ASP A 39 -8.998 4.564 -5.540 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.948 6.531 -3.787 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.598 6.302 -5.370 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.190 7.705 -4.402 1.00 24.16 H new ATOM 622 N GLN A 40 -9.842 4.334 -2.628 1.00 11.60 N ATOM 623 CA GLN A 40 -10.563 3.855 -1.484 1.00 10.76 C ATOM 624 C GLN A 40 -9.690 3.109 -0.512 1.00 8.01 C ATOM 625 O GLN A 40 -10.083 2.606 0.572 1.00 8.96 O ATOM 626 CB GLN A 40 -11.604 2.825 -2.022 1.00 11.14 C ATOM 627 CG GLN A 40 -12.812 2.537 -1.188 1.00 14.85 C ATOM 628 CD GLN A 40 -13.545 1.170 -1.459 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.584 0.309 -0.615 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.326 1.105 -2.576 1.00 18.16 N ATOM 0 H GLN A 40 -9.417 3.601 -3.196 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.996 4.711 -0.967 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.948 3.177 -2.995 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.083 1.882 -2.190 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.516 2.563 -0.139 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.529 3.344 -1.337 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.276 1.845 -3.277 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.959 0.317 -2.710 1.00 18.16 H new ATOM 639 N GLN A 41 -8.354 3.216 -0.785 1.00 6.52 N ATOM 640 CA GLN A 41 -7.316 2.608 0.048 1.00 3.87 C ATOM 641 C GLN A 41 -6.586 3.649 0.860 1.00 4.79 C ATOM 642 O GLN A 41 -5.916 4.475 0.294 1.00 6.34 O ATOM 643 CB GLN A 41 -6.368 1.892 -0.934 1.00 4.20 C ATOM 644 CG GLN A 41 -6.908 0.667 -1.646 1.00 3.20 C ATOM 645 CD GLN A 41 -5.850 0.077 -2.503 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.681 -0.118 -2.277 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.289 -0.362 -3.730 1.00 7.13 N ATOM 0 H GLN A 41 -7.988 3.727 -1.588 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.739 1.912 0.773 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.057 2.613 -1.690 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.473 1.598 -0.386 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.250 -0.068 -0.917 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.771 0.939 -2.253 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.265 -0.235 -3.998 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.639 -0.815 -4.372 1.00 7.13 H new ATOM 656 N ARG A 42 -6.596 3.571 2.200 1.00 5.73 N ATOM 657 CA ARG A 42 -5.635 4.216 3.090 1.00 6.97 C ATOM 658 C ARG A 42 -4.465 3.156 3.365 1.00 7.15 C ATOM 659 O ARG A 42 -4.767 2.073 3.877 1.00 7.33 O ATOM 660 CB ARG A 42 -6.186 4.648 4.474 1.00 13.23 C ATOM 661 CG ARG A 42 -7.523 5.427 4.431 1.00 21.27 C ATOM 662 CD ARG A 42 -7.534 6.254 5.686 1.00 26.14 C ATOM 663 NE ARG A 42 -8.425 7.436 5.472 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.722 7.295 5.597 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.330 6.301 6.299 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.590 8.265 5.172 1.00 36.39 N ATOM 0 H ARG A 42 -7.302 3.036 2.706 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.321 5.130 2.586 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.321 3.758 5.089 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.438 5.267 4.969 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -7.584 6.057 3.543 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.375 4.747 4.399 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.890 5.660 6.527 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.524 6.582 5.932 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.027 8.344 5.231 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.768 5.596 6.776 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.348 6.261 6.348 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.231 9.120 4.747 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -11.596 8.132 5.280 1.00 36.39 H new ATOM 680 N LEU A 43 -3.188 3.484 3.046 1.00 4.65 N ATOM 681 CA LEU A 43 -2.084 2.632 3.203 1.00 3.51 C ATOM 682 C LEU A 43 -1.044 3.190 4.193 1.00 5.56 C ATOM 683 O LEU A 43 -0.293 4.139 3.802 1.00 4.19 O ATOM 684 CB LEU A 43 -1.451 2.415 1.752 1.00 3.74 C ATOM 685 CG LEU A 43 -0.269 1.505 1.681 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.714 0.039 2.091 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.273 1.609 0.286 1.00 6.41 C ATOM 0 H LEU A 43 -2.937 4.395 2.661 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.408 1.684 3.632 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -2.227 2.022 1.094 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -1.160 3.388 1.356 1.00 3.74 H new ATOM 0 HG LEU A 43 0.524 1.779 2.377 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.145 -0.630 2.041 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.107 0.049 3.108 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.487 -0.311 1.407 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.142 0.959 0.184 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.494 1.304 -0.426 1.00 6.41 H new ATOM 0 HD23 LEU A 43 0.565 2.640 0.085 1.00 6.41 H new ATOM 699 N ILE A 44 -0.903 2.608 5.362 1.00 4.58 N ATOM 700 CA ILE A 44 -0.224 3.284 6.410 1.00 5.55 C ATOM 701 C ILE A 44 1.038 2.443 6.754 1.00 5.46 C ATOM 702 O ILE A 44 1.064 1.260 6.869 1.00 6.04 O ATOM 703 CB ILE A 44 -1.068 3.440 7.684 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.406 4.237 7.349 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.195 4.139 8.757 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.729 3.444 7.472 1.00 13.90 C ATOM 0 H ILE A 44 -1.250 1.678 5.596 1.00 4.58 H new ATOM 0 HA ILE A 44 0.014 4.291 6.066 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.378 2.473 8.079 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.463 5.101 8.010 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.330 4.619 6.331 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.773 4.262 9.673 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.686 3.531 8.962 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.117 5.117 8.391 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.567 4.093 7.219 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.709 2.595 6.789 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.844 3.085 8.495 1.00 13.90 H new ATOM 718 N PHE A 45 2.154 3.120 6.883 1.00 6.75 N ATOM 719 CA PHE A 45 3.437 2.557 7.301 1.00 4.70 C ATOM 720 C PHE A 45 4.303 3.630 7.941 1.00 6.34 C ATOM 721 O PHE A 45 4.364 4.722 7.470 1.00 5.45 O ATOM 722 CB PHE A 45 4.210 2.009 6.121 1.00 5.51 C ATOM 723 CG PHE A 45 5.592 1.466 6.330 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.731 0.224 6.976 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.742 2.259 6.090 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.978 -0.213 7.394 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.996 1.764 6.494 1.00 6.64 C ATOM 728 CZ PHE A 45 8.146 0.576 7.153 1.00 6.84 C ATOM 0 H PHE A 45 2.206 4.121 6.694 1.00 6.75 H new ATOM 0 HA PHE A 45 3.214 1.758 8.008 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.610 1.213 5.679 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.281 2.805 5.379 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.861 -0.392 7.147 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.658 3.222 5.608 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.069 -1.159 7.907 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.878 2.348 6.274 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.119 0.243 7.482 1.00 6.84 H new ATOM 738 N ALA A 46 4.968 3.317 9.064 1.00 6.53 N ATOM 739 CA ALA A 46 5.694 4.154 9.991 1.00 7.15 C ATOM 740 C ALA A 46 4.923 5.304 10.601 1.00 9.00 C ATOM 741 O ALA A 46 5.485 6.386 10.817 1.00 11.15 O ATOM 742 CB ALA A 46 6.936 4.738 9.247 1.00 8.99 C ATOM 0 H ALA A 46 5.004 2.344 9.368 1.00 6.53 H new ATOM 0 HA ALA A 46 5.948 3.504 10.829 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.501 5.375 9.927 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.571 3.922 8.902 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.604 5.326 8.391 1.00 8.99 H new ATOM 748 N GLY A 47 3.628 5.055 10.881 1.00 9.35 N ATOM 749 CA GLY A 47 2.657 6.141 11.229 1.00 11.68 C ATOM 750 C GLY A 47 2.262 7.007 10.019 1.00 11.14 C ATOM 751 O GLY A 47 1.447 7.916 10.049 1.00 13.93 O ATOM 0 H GLY A 47 3.221 4.120 10.876 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.760 5.695 11.657 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.094 6.779 11.998 1.00 11.68 H new ATOM 755 N LYS A 48 2.784 6.646 8.814 1.00 10.47 N ATOM 756 CA LYS A 48 2.687 7.588 7.700 1.00 8.82 C ATOM 757 C LYS A 48 1.692 7.049 6.655 1.00 7.68 C ATOM 758 O LYS A 48 1.653 5.856 6.407 1.00 6.47 O ATOM 759 CB LYS A 48 4.037 7.881 7.004 1.00 9.74 C ATOM 760 CG LYS A 48 5.163 8.387 7.958 1.00 14.14 C ATOM 761 CD LYS A 48 6.544 8.121 7.369 1.00 16.32 C ATOM 762 CE LYS A 48 7.641 8.174 8.427 1.00 20.04 C ATOM 763 NZ LYS A 48 8.889 8.015 7.843 1.00 23.92 N ATOM 0 H LYS A 48 3.247 5.760 8.610 1.00 10.47 H new ATOM 0 HA LYS A 48 2.344 8.530 8.129 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.380 6.973 6.508 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.875 8.627 6.226 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.040 9.455 8.136 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.075 7.891 8.924 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.550 7.142 6.890 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.754 8.857 6.593 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.599 9.127 8.955 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.478 7.391 9.168 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.624 8.054 8.578 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.931 7.095 7.359 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 9.049 8.777 7.153 1.00 23.92 H new ATOM 777 N GLN A 49 0.852 7.917 6.060 1.00 8.89 N ATOM 778 CA GLN A 49 -0.105 7.611 5.041 1.00 7.18 C ATOM 779 C GLN A 49 0.478 7.812 3.704 1.00 8.23 C ATOM 780 O GLN A 49 0.726 8.924 3.184 1.00 9.70 O ATOM 781 CB GLN A 49 -1.448 8.378 5.108 1.00 11.67 C ATOM 782 CG GLN A 49 -2.224 8.094 6.465 1.00 15.82 C ATOM 783 CD GLN A 49 -3.605 8.717 6.299 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.593 7.995 6.491 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.588 10.045 5.988 1.00 20.67 N ATOM 0 H GLN A 49 0.843 8.906 6.311 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.349 6.565 5.230 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.261 9.448 5.014 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.074 8.089 4.264 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.299 7.023 6.654 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.698 8.531 7.314 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.699 10.526 5.855 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.465 10.557 5.889 1.00 20.67 H new ATOM 794 N LEU A 50 0.897 6.674 3.134 1.00 6.51 N ATOM 795 CA LEU A 50 1.688 6.797 1.901 1.00 7.41 C ATOM 796 C LEU A 50 0.887 7.320 0.709 1.00 8.27 C ATOM 797 O LEU A 50 -0.288 7.056 0.524 1.00 8.34 O ATOM 798 CB LEU A 50 2.372 5.449 1.572 1.00 7.13 C ATOM 799 CG LEU A 50 2.897 4.712 2.788 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.529 3.450 2.327 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.980 5.506 3.554 1.00 9.11 C ATOM 0 H LEU A 50 0.721 5.728 3.472 1.00 6.51 H new ATOM 0 HA LEU A 50 2.451 7.552 2.090 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.659 4.809 1.051 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.198 5.631 0.885 1.00 7.13 H new ATOM 0 HG LEU A 50 2.052 4.550 3.457 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.915 2.901 3.186 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.788 2.840 1.810 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.348 3.681 1.646 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.316 4.926 4.414 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.825 5.699 2.893 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.563 6.453 3.896 1.00 9.11 H new ATOM 813 N GLU A 51 1.483 8.191 -0.146 1.00 9.43 N ATOM 814 CA GLU A 51 0.846 9.039 -1.147 1.00 11.90 C ATOM 815 C GLU A 51 1.302 8.694 -2.532 1.00 11.49 C ATOM 816 O GLU A 51 2.455 8.312 -2.682 1.00 9.88 O ATOM 817 CB GLU A 51 1.206 10.571 -0.880 1.00 16.56 C ATOM 818 CG GLU A 51 0.870 10.991 0.567 1.00 26.06 C ATOM 819 CD GLU A 51 0.942 12.510 0.611 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.050 13.056 0.665 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.139 13.117 0.527 1.00 33.44 O ATOM 0 H GLU A 51 2.495 8.316 -0.141 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.229 8.874 -1.068 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.267 10.734 -1.070 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.657 11.201 -1.579 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.123 10.643 0.850 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.575 10.550 1.271 1.00 26.06 H new ATOM 828 N ASP A 52 0.452 8.807 -3.567 1.00 12.71 N ATOM 829 CA ASP A 52 0.470 8.068 -4.811 1.00 16.56 C ATOM 830 C ASP A 52 1.721 8.260 -5.657 1.00 15.83 C ATOM 831 O ASP A 52 2.218 7.286 -6.246 1.00 17.21 O ATOM 832 CB ASP A 52 -0.719 8.675 -5.593 1.00 21.05 C ATOM 833 CG ASP A 52 -2.032 8.715 -4.858 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.171 9.426 -3.847 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.988 8.103 -5.368 1.00 25.82 O ATOM 0 H ASP A 52 -0.320 9.473 -3.539 1.00 12.71 H new ATOM 0 HA ASP A 52 0.428 6.999 -4.602 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.456 9.692 -5.886 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.855 8.104 -6.512 1.00 21.05 H new ATOM 840 N GLY A 53 2.263 9.466 -5.736 1.00 15.00 N ATOM 841 CA GLY A 53 3.319 10.005 -6.593 1.00 11.77 C ATOM 842 C GLY A 53 4.718 9.841 -5.905 1.00 11.10 C ATOM 843 O GLY A 53 5.753 10.223 -6.399 1.00 11.25 O ATOM 0 H GLY A 53 1.925 10.197 -5.110 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.316 9.489 -7.553 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.128 11.059 -6.797 1.00 11.77 H new ATOM 847 N ARG A 54 4.780 9.154 -4.788 1.00 8.53 N ATOM 848 CA ARG A 54 6.038 8.915 -4.120 1.00 9.05 C ATOM 849 C ARG A 54 6.493 7.477 -4.471 1.00 8.96 C ATOM 850 O ARG A 54 5.675 6.601 -4.802 1.00 11.60 O ATOM 851 CB ARG A 54 5.848 8.901 -2.579 1.00 7.97 C ATOM 852 CG ARG A 54 5.553 10.311 -2.146 1.00 9.62 C ATOM 853 CD ARG A 54 6.778 10.934 -1.534 1.00 12.20 C ATOM 854 NE ARG A 54 6.426 12.234 -0.973 1.00 18.23 N ATOM 855 CZ ARG A 54 7.373 13.046 -0.447 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.658 12.756 -0.241 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.018 14.323 -0.163 1.00 23.38 N ATOM 0 H ARG A 54 3.969 8.749 -4.321 1.00 8.53 H new ATOM 0 HA ARG A 54 6.741 9.691 -4.425 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.031 8.236 -2.300 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.746 8.528 -2.086 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.225 10.901 -3.002 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.736 10.314 -1.425 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.180 10.286 -0.756 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.557 11.049 -2.287 1.00 12.20 H new ATOM 0 HE ARG A 54 5.452 12.536 -0.977 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.019 11.835 -0.489 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.280 13.455 0.165 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.066 14.641 -0.347 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.703 14.966 0.234 1.00 23.38 H new ATOM 871 N THR A 55 7.815 7.228 -4.231 1.00 9.05 N ATOM 872 CA THR A 55 8.449 5.952 -4.404 1.00 9.03 C ATOM 873 C THR A 55 8.708 5.233 -3.084 1.00 8.15 C ATOM 874 O THR A 55 8.803 5.847 -2.044 1.00 5.91 O ATOM 875 CB THR A 55 9.652 5.871 -5.274 1.00 11.15 C ATOM 876 OG1 THR A 55 10.632 6.878 -4.938 1.00 11.95 O ATOM 877 CG2 THR A 55 9.340 5.998 -6.778 1.00 11.71 C ATOM 0 H THR A 55 8.457 7.950 -3.904 1.00 9.05 H new ATOM 0 HA THR A 55 7.681 5.433 -4.977 1.00 9.03 H new ATOM 0 HB THR A 55 10.050 4.874 -5.085 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.408 6.790 -5.531 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.266 5.930 -7.349 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.668 5.195 -7.079 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.865 6.960 -6.971 1.00 11.71 H new ATOM 885 N LEU A 56 8.820 3.911 -3.145 1.00 6.91 N ATOM 886 CA LEU A 56 8.975 3.069 -1.954 1.00 8.29 C ATOM 887 C LEU A 56 10.254 3.407 -1.221 1.00 8.05 C ATOM 888 O LEU A 56 10.322 3.460 0.001 1.00 10.17 O ATOM 889 CB LEU A 56 8.930 1.552 -2.327 1.00 6.60 C ATOM 890 CG LEU A 56 7.674 1.114 -3.085 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.715 -0.436 -3.373 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.325 1.473 -2.401 1.00 8.64 C ATOM 0 H LEU A 56 8.806 3.388 -4.020 1.00 6.91 H new ATOM 0 HA LEU A 56 8.137 3.273 -1.287 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.804 1.315 -2.933 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.008 0.965 -1.412 1.00 6.60 H new ATOM 0 HG LEU A 56 7.700 1.688 -4.012 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.815 -0.730 -3.912 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.592 -0.671 -3.976 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.767 -0.980 -2.430 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.499 1.119 -3.018 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.276 0.997 -1.421 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.253 2.554 -2.283 1.00 8.64 H new ATOM 904 N SER A 57 11.333 3.614 -1.986 1.00 8.92 N ATOM 905 CA SER A 57 12.576 4.108 -1.476 1.00 9.00 C ATOM 906 C SER A 57 12.571 5.407 -0.696 1.00 9.44 C ATOM 907 O SER A 57 13.264 5.614 0.307 1.00 10.91 O ATOM 908 CB SER A 57 13.536 4.086 -2.634 1.00 10.32 C ATOM 909 OG SER A 57 12.991 4.610 -3.848 1.00 13.59 O ATOM 0 H SER A 57 11.346 3.434 -2.990 1.00 8.92 H new ATOM 0 HA SER A 57 12.886 3.448 -0.665 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.424 4.660 -2.368 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.860 3.059 -2.806 1.00 10.32 H new ATOM 0 HG SER A 57 13.667 4.567 -4.556 1.00 13.59 H new ATOM 915 N ASP A 58 11.708 6.360 -1.138 1.00 9.11 N ATOM 916 CA ASP A 58 11.464 7.709 -0.566 1.00 7.91 C ATOM 917 C ASP A 58 10.890 7.595 0.858 1.00 9.12 C ATOM 918 O ASP A 58 11.099 8.455 1.683 1.00 8.61 O ATOM 919 CB ASP A 58 10.481 8.401 -1.568 1.00 8.41 C ATOM 920 CG ASP A 58 10.639 9.897 -1.527 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.507 10.416 -2.298 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.914 10.577 -0.790 1.00 10.05 O ATOM 0 H ASP A 58 11.126 6.194 -1.959 1.00 9.11 H new ATOM 0 HA ASP A 58 12.375 8.297 -0.457 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.670 8.039 -2.578 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.454 8.133 -1.320 1.00 8.41 H new ATOM 927 N TYR A 59 10.092 6.521 1.104 1.00 7.97 N ATOM 928 CA TYR A 59 9.580 6.235 2.419 1.00 8.45 C ATOM 929 C TYR A 59 10.429 5.236 3.190 1.00 10.98 C ATOM 930 O TYR A 59 10.105 4.856 4.311 1.00 12.95 O ATOM 931 CB TYR A 59 8.183 5.573 2.242 1.00 7.94 C ATOM 932 CG TYR A 59 7.092 6.605 1.869 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.704 7.648 2.797 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.331 6.450 0.662 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.699 8.535 2.474 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.271 7.265 0.449 1.00 6.52 C ATOM 937 CZ TYR A 59 4.992 8.424 1.258 1.00 6.76 C ATOM 938 OH TYR A 59 3.913 9.327 1.073 1.00 7.63 O ATOM 0 H TYR A 59 9.804 5.853 0.389 1.00 7.97 H new ATOM 0 HA TYR A 59 9.563 7.174 2.972 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.240 4.810 1.466 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.902 5.068 3.166 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.206 7.731 3.750 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.599 5.696 -0.064 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.449 9.328 3.163 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.602 7.035 -0.367 1.00 6.52 H new ATOM 0 HH TYR A 59 4.261 10.199 0.791 1.00 7.63 H new ATOM 948 N ASN A 60 11.539 4.834 2.597 1.00 12.38 N ATOM 949 CA ASN A 60 12.469 3.856 3.119 1.00 13.94 C ATOM 950 C ASN A 60 11.795 2.462 3.333 1.00 14.16 C ATOM 951 O ASN A 60 12.123 1.710 4.214 1.00 14.26 O ATOM 952 CB ASN A 60 13.130 4.430 4.430 1.00 19.23 C ATOM 953 CG ASN A 60 14.408 3.673 4.747 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.480 2.843 5.659 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.441 3.790 3.916 1.00 24.09 N ATOM 0 H ASN A 60 11.828 5.202 1.691 1.00 12.38 H new ATOM 0 HA ASN A 60 13.257 3.678 2.387 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.349 5.490 4.302 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.433 4.347 5.264 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.265 3.202 4.041 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.408 4.467 3.154 1.00 24.09 H new ATOM 962 N ILE A 61 10.851 2.030 2.433 1.00 11.08 N ATOM 963 CA ILE A 61 10.183 0.737 2.580 1.00 11.78 C ATOM 964 C ILE A 61 11.081 -0.418 2.182 1.00 13.74 C ATOM 965 O ILE A 61 11.485 -0.523 1.039 1.00 14.60 O ATOM 966 CB ILE A 61 8.834 0.622 1.882 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.872 1.819 2.427 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.168 -0.730 1.995 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.845 2.181 1.392 1.00 11.42 C ATOM 0 H ILE A 61 10.555 2.566 1.617 1.00 11.08 H new ATOM 0 HA ILE A 61 9.971 0.676 3.647 1.00 11.78 H new ATOM 0 HB ILE A 61 9.013 0.726 0.812 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.376 1.505 3.346 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.474 2.694 2.672 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.215 -0.711 1.467 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.812 -1.491 1.555 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.996 -0.964 3.046 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.211 2.982 1.773 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.346 2.516 0.484 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.231 1.308 1.167 1.00 11.42 H new ATOM 981 N GLN A 62 11.494 -1.259 3.158 1.00 13.97 N ATOM 982 CA GLN A 62 12.487 -2.249 2.842 1.00 15.52 C ATOM 983 C GLN A 62 11.899 -3.633 2.632 1.00 13.94 C ATOM 984 O GLN A 62 10.752 -3.812 2.726 1.00 12.15 O ATOM 985 CB GLN A 62 13.569 -2.285 3.930 1.00 19.53 C ATOM 986 CG GLN A 62 13.986 -0.950 4.639 1.00 26.38 C ATOM 987 CD GLN A 62 15.397 -1.045 5.246 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.943 -2.107 5.516 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.974 0.116 5.678 1.00 32.71 N ATOM 0 H GLN A 62 11.159 -1.257 4.122 1.00 13.97 H new ATOM 0 HA GLN A 62 12.935 -1.953 1.893 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.234 -2.976 4.703 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.467 -2.715 3.486 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.953 -0.131 3.921 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.267 -0.715 5.424 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.537 1.013 5.465 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.842 0.086 6.213 1.00 32.71 H new ATOM 998 N LYS A 63 12.693 -4.642 2.303 1.00 11.73 N ATOM 999 CA LYS A 63 12.256 -6.042 2.168 1.00 11.97 C ATOM 1000 C LYS A 63 11.731 -6.618 3.442 1.00 10.41 C ATOM 1001 O LYS A 63 12.281 -6.349 4.544 1.00 9.59 O ATOM 1002 CB LYS A 63 13.411 -6.919 1.625 1.00 13.73 C ATOM 1003 CG LYS A 63 14.472 -7.474 2.604 1.00 16.98 C ATOM 1004 CD LYS A 63 15.641 -8.187 2.017 1.00 20.19 C ATOM 1005 CE LYS A 63 16.747 -8.418 3.029 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.834 -9.186 2.340 1.00 25.97 N ATOM 0 H LYS A 63 13.688 -4.516 2.116 1.00 11.73 H new ATOM 0 HA LYS A 63 11.429 -6.040 1.457 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.962 -7.770 1.113 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.937 -6.335 0.870 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.849 -6.642 3.199 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.972 -8.156 3.291 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.314 -9.146 1.616 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.033 -7.609 1.180 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.127 -7.468 3.405 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.371 -8.973 3.888 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.611 -9.362 3.008 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.456 -10.094 2.001 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.190 -8.636 1.532 1.00 25.97 H new ATOM 1020 N GLU A 64 10.639 -7.458 3.424 1.00 10.04 N ATOM 1021 CA GLU A 64 9.813 -7.992 4.491 1.00 10.94 C ATOM 1022 C GLU A 64 9.252 -6.924 5.390 1.00 9.74 C ATOM 1023 O GLU A 64 8.893 -7.249 6.484 1.00 9.42 O ATOM 1024 CB GLU A 64 10.523 -9.081 5.407 1.00 18.31 C ATOM 1025 CG GLU A 64 10.942 -10.214 4.539 1.00 24.16 C ATOM 1026 CD GLU A 64 11.497 -11.362 5.382 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.834 -11.900 6.326 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.660 -11.792 5.034 1.00 32.61 O ATOM 0 H GLU A 64 10.301 -7.802 2.525 1.00 10.04 H new ATOM 0 HA GLU A 64 9.009 -8.484 3.943 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.387 -8.649 5.912 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.841 -9.428 6.183 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.092 -10.564 3.953 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.699 -9.876 3.831 1.00 24.16 H new ATOM 1035 N SER A 65 9.083 -5.689 4.890 1.00 6.85 N ATOM 1036 CA SER A 65 8.365 -4.667 5.549 1.00 6.90 C ATOM 1037 C SER A 65 6.863 -4.894 5.465 1.00 4.72 C ATOM 1038 O SER A 65 6.335 -5.677 4.654 1.00 3.91 O ATOM 1039 CB SER A 65 8.738 -3.289 4.819 1.00 7.28 C ATOM 1040 OG SER A 65 8.223 -2.117 5.518 1.00 10.56 O ATOM 0 H SER A 65 9.465 -5.399 3.990 1.00 6.85 H new ATOM 0 HA SER A 65 8.631 -4.652 6.606 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.822 -3.209 4.737 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.342 -3.303 3.804 1.00 7.28 H new ATOM 0 HG SER A 65 8.011 -2.356 6.445 1.00 10.56 H new ATOM 1046 N THR A 66 6.112 -4.264 6.341 1.00 4.48 N ATOM 1047 CA THR A 66 4.666 -4.688 6.604 1.00 3.80 C ATOM 1048 C THR A 66 3.890 -3.400 6.509 1.00 4.60 C ATOM 1049 O THR A 66 3.839 -2.638 7.439 1.00 5.33 O ATOM 1050 CB THR A 66 4.404 -5.378 7.875 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.954 -6.709 7.916 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.883 -5.570 8.142 1.00 3.40 C ATOM 0 H THR A 66 6.427 -3.468 6.896 1.00 4.48 H new ATOM 0 HA THR A 66 4.376 -5.450 5.880 1.00 3.80 H new ATOM 0 HB THR A 66 4.871 -4.732 8.618 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.752 -7.120 8.782 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.743 -6.084 9.093 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.395 -4.596 8.181 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.445 -6.164 7.340 1.00 3.40 H new ATOM 1060 N LEU A 67 3.199 -3.261 5.365 1.00 4.17 N ATOM 1061 CA LEU A 67 2.283 -2.215 5.197 1.00 3.85 C ATOM 1062 C LEU A 67 0.861 -2.592 5.730 1.00 3.80 C ATOM 1063 O LEU A 67 0.473 -3.732 5.785 1.00 5.54 O ATOM 1064 CB LEU A 67 2.124 -1.736 3.666 1.00 7.18 C ATOM 1065 CG LEU A 67 3.486 -1.516 2.909 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.233 -0.998 1.505 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.360 -0.467 3.562 1.00 11.66 C ATOM 0 H LEU A 67 3.286 -3.884 4.562 1.00 4.17 H new ATOM 0 HA LEU A 67 2.703 -1.394 5.778 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.537 -2.478 3.125 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.557 -0.805 3.646 1.00 7.18 H new ATOM 0 HG LEU A 67 3.980 -2.488 2.923 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.185 -0.851 0.994 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.633 -1.721 0.953 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.699 -0.049 1.558 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.285 -0.360 2.995 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.832 0.487 3.579 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.593 -0.771 4.582 1.00 11.66 H new ATOM 1079 N HIS A 68 0.037 -1.539 6.114 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.239 -1.668 6.768 1.00 4.17 C ATOM 1081 C HIS A 68 -2.300 -0.982 5.974 1.00 5.32 C ATOM 1082 O HIS A 68 -2.217 0.194 5.646 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.081 -0.979 8.128 1.00 5.57 C ATOM 1084 CG HIS A 68 0.092 -1.515 8.905 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.225 -0.704 9.040 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.487 -2.696 9.520 1.00 12.79 C ATOM 1087 CE1 HIS A 68 2.104 -1.342 9.757 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.726 -2.520 10.122 1.00 16.30 N ATOM 0 H HIS A 68 0.295 -0.566 5.950 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.530 -2.713 6.872 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.955 0.093 7.978 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -1.993 -1.115 8.710 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.342 0.229 8.644 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.083 -3.613 9.529 1.00 12.79 H new ATOM 0 HE1 HIS A 68 3.063 -0.923 10.022 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.368 -1.771 5.596 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.353 -1.314 4.670 1.00 3.97 C ATOM 1098 C LEU A 69 -5.668 -1.173 5.244 1.00 5.07 C ATOM 1099 O LEU A 69 -6.359 -2.153 5.676 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.425 -2.246 3.426 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.333 -1.831 2.315 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.791 -0.563 1.638 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.467 -2.925 1.232 1.00 9.96 C ATOM 0 H LEU A 69 -3.526 -2.717 5.944 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.028 -0.318 4.370 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.418 -2.346 3.020 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.733 -3.236 3.763 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.312 -1.651 2.760 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.460 -0.268 0.829 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.730 0.242 2.370 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.799 -0.762 1.234 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.137 -2.578 0.445 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.486 -3.138 0.806 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.873 -3.832 1.680 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.214 0.061 5.220 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.476 0.432 5.865 1.00 6.26 C ATOM 1117 C VAL A 70 -8.331 1.259 4.886 1.00 9.22 C ATOM 1118 O VAL A 70 -7.864 2.067 4.093 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.128 1.287 7.083 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.423 1.670 7.882 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.035 0.613 7.949 1.00 8.54 C ATOM 0 H VAL A 70 -5.772 0.843 4.737 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.038 -0.455 6.158 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.693 2.227 6.743 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.152 2.278 8.745 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.095 2.235 7.236 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.923 0.763 8.221 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.809 1.246 8.807 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.392 -0.356 8.296 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.133 0.475 7.353 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.594 0.878 4.823 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.370 1.168 3.628 1.00 16.06 C ATOM 1133 C LEU A 71 -11.326 2.320 3.969 1.00 18.09 C ATOM 1134 O LEU A 71 -12.088 2.379 4.943 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.082 0.003 2.968 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.204 -1.170 2.615 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.005 -2.211 1.827 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.963 -0.786 1.774 1.00 19.57 C ATOM 0 H LEU A 71 -10.094 0.382 5.561 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.657 1.445 2.851 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.873 -0.343 3.634 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.565 0.361 2.059 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.853 -1.571 3.566 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.360 -3.054 1.578 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.841 -2.561 2.432 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.384 -1.760 0.910 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.379 -1.681 1.558 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.285 -0.328 0.839 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.350 -0.078 2.332 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.167 3.291 3.062 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.898 4.558 3.150 1.00 25.83 C ATOM 1152 C ARG A 72 -13.280 4.618 2.618 1.00 27.74 C ATOM 1153 O ARG A 72 -13.677 3.869 1.729 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.982 5.419 2.288 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.403 6.910 2.187 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.368 7.715 1.372 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.646 9.148 1.687 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.874 10.156 1.216 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.683 9.954 0.658 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.380 11.352 1.231 1.00 35.02 N ATOM 0 H ARG A 72 -10.540 3.223 2.261 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.075 4.832 4.190 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.971 5.367 2.691 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.947 4.996 1.284 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.383 6.985 1.715 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.497 7.335 3.186 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.350 7.442 1.650 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.470 7.520 0.304 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.446 9.376 2.278 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.315 9.007 0.570 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.138 10.746 0.318 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.324 11.502 1.588 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.834 12.141 0.886 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.110 5.509 3.243 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.514 5.485 2.950 1.00 30.76 C ATOM 1176 C LEU A 73 -15.925 6.885 2.493 1.00 32.18 C ATOM 1177 O LEU A 73 -15.245 7.897 2.614 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.329 5.124 4.173 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.200 3.665 4.611 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.863 3.331 5.961 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.449 2.607 3.529 1.00 29.11 C ATOM 0 H LEU A 73 -13.814 6.212 3.920 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.699 4.736 2.180 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.025 5.767 4.999 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.378 5.338 3.971 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.128 3.589 4.794 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.718 2.274 6.186 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.411 3.935 6.748 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.930 3.547 5.906 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.329 1.612 3.958 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.462 2.715 3.141 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.733 2.741 2.718 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.127 7.036 1.851 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.520 8.360 1.294 1.00 35.33 C ATOM 1195 C ARG A 74 -17.875 9.301 2.392 1.00 36.22 C ATOM 1196 O ARG A 74 -17.842 10.505 2.149 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.653 8.045 0.233 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.129 7.170 -0.872 1.00 38.62 C ATOM 1199 CD ARG A 74 -19.203 6.877 -1.999 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.759 5.851 -2.910 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.059 6.121 -4.007 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.779 7.350 -4.368 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.487 5.119 -4.642 1.00 41.93 N ATOM 0 H ARG A 74 -17.809 6.290 1.713 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.718 8.890 0.781 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.491 7.552 0.726 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.033 8.977 -0.186 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.259 7.648 -1.323 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.790 6.225 -0.448 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -20.141 6.570 -1.536 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -19.406 7.793 -2.554 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.991 4.879 -2.704 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.101 8.134 -3.801 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.239 7.522 -5.216 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.588 4.167 -4.289 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.943 5.295 -5.487 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.210 8.789 3.639 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.517 9.539 4.905 1.00 36.07 C ATOM 1219 C GLY A 75 -17.432 9.433 5.955 1.00 36.16 C ATOM 1220 O GLY A 75 -17.640 9.694 7.147 1.00 36.26 O ATOM 0 H GLY A 75 -18.274 7.781 3.783 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.676 10.590 4.664 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.451 9.163 5.322 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.206 9.008 5.559 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.146 8.630 6.469 1.00 36.19 C ATOM 1226 C GLY A 76 -13.822 8.335 5.662 1.00 36.20 C ATOM 1227 O GLY A 76 -13.439 7.161 5.396 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.149 9.369 5.363 1.00 0.00 O ATOM 0 H GLY A 76 -15.943 8.924 4.577 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.972 9.429 7.190 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.440 7.747 7.037 1.00 36.19 H new TER 1232 GLY A 76