USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 22 THR OG1 : rot 180:sc= 0.464 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.509 K(o=0.97,f=0.051) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -177:sc= 0.839 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 160:sc= 0.726 USER MOD Single : A 1 MET CE :methyl 165:sc= 0 (180deg=-0.346) USER MOD Single : A 1 MET N :NH3+ -140:sc= 2.03 (180deg=1.28) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.039) USER MOD Single : A 11 LYS NZ :NH3+ 167:sc= 0.79 (180deg=-0.0414) USER MOD Single : A 14 THR OG1 : rot -88:sc= 1.05 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.15) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.251 K(o=-0.25,f=-4.2!) USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.127) USER MOD Single : A 40 GLN : amide:sc=-0.00217 X(o=-0.0022,f=-0.33) USER MOD Single : A 41 GLN : amide:sc= 0.614 K(o=0.61,f=-0.87) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.346 USER MOD Single : A 60 ASN : amide:sc= -0.124 K(o=-0.12,f=-0.86) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 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=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.096 -7.469 -5.132 1.00 9.67 N ATOM 2 CA MET A 1 11.185 -7.468 -3.667 1.00 10.38 C ATOM 3 C MET A 1 9.854 -7.901 -3.029 1.00 9.62 C ATOM 4 O MET A 1 8.765 -7.678 -3.584 1.00 9.62 O ATOM 5 CB MET A 1 11.459 -6.015 -3.250 1.00 13.77 C ATOM 6 CG MET A 1 11.973 -5.883 -1.790 1.00 16.29 C ATOM 7 SD MET A 1 12.952 -4.319 -1.682 1.00 17.17 S ATOM 8 CE MET A 1 11.592 -3.184 -1.916 1.00 16.11 C ATOM 0 H1 MET A 1 11.980 -7.843 -5.533 1.00 9.67 H new ATOM 0 H2 MET A 1 10.299 -8.067 -5.431 1.00 9.67 H new ATOM 0 H3 MET A 1 10.946 -6.497 -5.471 1.00 9.67 H new ATOM 0 HA MET A 1 11.963 -8.159 -3.342 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.195 -5.582 -3.928 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.544 -5.434 -3.360 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.137 -5.861 -1.090 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.590 -6.741 -1.522 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.902 -2.180 -1.626 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.295 -3.183 -2.965 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.748 -3.495 -1.300 1.00 16.11 H new ATOM 20 N GLN A 2 9.940 -8.617 -1.904 1.00 9.27 N ATOM 21 CA GLN A 2 8.815 -9.216 -1.160 1.00 9.07 C ATOM 22 C GLN A 2 8.432 -8.245 -0.069 1.00 8.72 C ATOM 23 O GLN A 2 9.251 -7.654 0.658 1.00 8.22 O ATOM 24 CB GLN A 2 9.261 -10.504 -0.510 1.00 14.46 C ATOM 25 CG GLN A 2 8.186 -11.308 0.314 1.00 17.01 C ATOM 26 CD GLN A 2 8.811 -12.517 0.966 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.958 -12.628 2.189 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.160 -13.473 0.100 1.00 19.49 N ATOM 0 H GLN A 2 10.839 -8.807 -1.461 1.00 9.27 H new ATOM 0 HA GLN A 2 7.982 -9.419 -1.833 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.647 -11.160 -1.291 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.094 -10.275 0.155 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.747 -10.663 1.076 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.375 -11.621 -0.344 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.018 -13.332 -0.900 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.569 -14.344 0.439 1.00 19.49 H new ATOM 37 N ILE A 3 7.110 -8.014 0.043 1.00 5.87 N ATOM 38 CA ILE A 3 6.478 -7.126 1.051 1.00 5.07 C ATOM 39 C ILE A 3 5.155 -7.713 1.369 1.00 4.01 C ATOM 40 O ILE A 3 4.634 -8.401 0.471 1.00 4.61 O ATOM 41 CB ILE A 3 6.251 -5.653 0.638 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.330 -5.476 -0.594 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.683 -5.043 0.443 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.992 -4.022 -0.911 1.00 10.83 C ATOM 0 H ILE A 3 6.429 -8.449 -0.580 1.00 5.87 H new ATOM 0 HA ILE A 3 7.178 -7.078 1.885 1.00 5.07 H new ATOM 0 HB ILE A 3 5.700 -5.120 1.413 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.812 -5.924 -1.463 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.404 -6.025 -0.425 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.596 -3.997 0.149 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.238 -5.112 1.378 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.211 -5.596 -0.334 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.344 -3.982 -1.786 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.480 -3.573 -0.060 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.910 -3.471 -1.114 1.00 10.83 H new ATOM 56 N PHE A 4 4.561 -7.475 2.509 1.00 4.55 N ATOM 57 CA PHE A 4 3.226 -7.894 2.887 1.00 4.68 C ATOM 58 C PHE A 4 2.306 -6.716 3.102 1.00 5.30 C ATOM 59 O PHE A 4 2.649 -5.720 3.755 1.00 5.58 O ATOM 60 CB PHE A 4 3.361 -8.711 4.198 1.00 4.83 C ATOM 61 CG PHE A 4 4.364 -9.766 3.973 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.151 -10.953 3.247 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.663 -9.566 4.533 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.142 -11.932 3.204 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.630 -10.614 4.492 1.00 10.61 C ATOM 66 CZ PHE A 4 6.368 -11.766 3.840 1.00 8.90 C ATOM 0 H PHE A 4 5.023 -6.949 3.251 1.00 4.55 H new ATOM 0 HA PHE A 4 2.787 -8.491 2.087 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.666 -8.064 5.021 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.402 -9.149 4.475 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.219 -11.105 2.723 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.913 -8.619 4.988 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.953 -12.846 2.661 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.581 -10.484 4.987 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.106 -12.554 3.812 1.00 8.90 H new ATOM 76 N VAL A 5 1.023 -6.877 2.738 1.00 4.44 N ATOM 77 CA VAL A 5 -0.030 -5.922 3.049 1.00 3.87 C ATOM 78 C VAL A 5 -1.017 -6.458 4.015 1.00 4.93 C ATOM 79 O VAL A 5 -1.480 -7.595 3.895 1.00 6.84 O ATOM 80 CB VAL A 5 -0.602 -5.281 1.738 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.805 -4.346 2.030 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.557 -4.485 1.085 1.00 9.13 C ATOM 0 H VAL A 5 0.694 -7.687 2.213 1.00 4.44 H new ATOM 0 HA VAL A 5 0.394 -5.082 3.598 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.974 -6.061 1.073 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.172 -3.922 1.095 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.602 -4.917 2.507 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.488 -3.541 2.693 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.205 -4.019 0.165 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.902 -3.714 1.774 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.380 -5.162 0.857 1.00 9.13 H new ATOM 92 N LYS A 6 -1.354 -5.818 5.124 1.00 6.04 N ATOM 93 CA LYS A 6 -2.215 -6.347 6.171 1.00 6.12 C ATOM 94 C LYS A 6 -3.535 -5.675 6.224 1.00 6.57 C ATOM 95 O LYS A 6 -3.591 -4.410 6.122 1.00 5.76 O ATOM 96 CB LYS A 6 -1.556 -6.192 7.587 1.00 7.45 C ATOM 97 CG LYS A 6 -0.388 -7.239 7.713 1.00 11.12 C ATOM 98 CD LYS A 6 0.004 -7.492 9.162 1.00 14.54 C ATOM 99 CE LYS A 6 0.915 -8.737 9.339 1.00 18.84 C ATOM 100 NZ LYS A 6 0.243 -10.055 9.250 1.00 20.55 N ATOM 0 H LYS A 6 -1.021 -4.876 5.328 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.354 -7.399 5.920 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.173 -5.180 7.717 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.297 -6.356 8.369 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.693 -8.178 7.252 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.481 -6.880 7.161 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.519 -6.614 9.551 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.899 -7.622 9.759 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.698 -8.699 8.582 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.406 -8.667 10.309 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.934 -10.810 9.433 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.519 -10.105 9.956 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.159 -10.176 8.298 1.00 20.55 H new ATOM 114 N THR A 7 -4.588 -6.470 6.521 1.00 7.41 N ATOM 115 CA THR A 7 -5.955 -5.932 6.559 1.00 7.48 C ATOM 116 C THR A 7 -6.574 -6.135 7.926 1.00 8.75 C ATOM 117 O THR A 7 -6.216 -6.992 8.683 1.00 8.58 O ATOM 118 CB THR A 7 -6.912 -6.564 5.476 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.429 -7.816 5.799 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.290 -6.655 4.084 1.00 9.17 C ATOM 0 H THR A 7 -4.515 -7.465 6.733 1.00 7.41 H new ATOM 0 HA THR A 7 -5.854 -4.870 6.335 1.00 7.48 H new ATOM 0 HB THR A 7 -7.735 -5.849 5.467 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.010 -8.127 5.074 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.007 -7.099 3.394 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.024 -5.656 3.738 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.394 -7.275 4.126 1.00 9.17 H new ATOM 128 N LEU A 8 -7.710 -5.418 8.192 1.00 9.84 N ATOM 129 CA LEU A 8 -8.499 -5.504 9.393 1.00 14.15 C ATOM 130 C LEU A 8 -9.527 -6.610 9.444 1.00 17.37 C ATOM 131 O LEU A 8 -10.179 -6.832 10.485 1.00 17.01 O ATOM 132 CB LEU A 8 -9.182 -4.165 9.621 1.00 16.63 C ATOM 133 CG LEU A 8 -8.239 -3.005 10.078 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.944 -1.740 10.320 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.426 -3.304 11.324 1.00 18.59 C ATOM 0 H LEU A 8 -8.089 -4.745 7.526 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.792 -5.757 10.183 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.677 -3.866 8.697 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.961 -4.296 10.372 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.566 -2.910 9.226 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.229 -0.979 10.634 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.438 -1.418 9.403 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.689 -1.883 11.103 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.802 -2.444 11.566 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.099 -3.510 12.157 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.793 -4.173 11.145 1.00 18.59 H new ATOM 147 N THR A 9 -9.603 -7.479 8.376 1.00 18.33 N ATOM 148 CA THR A 9 -10.252 -8.786 8.468 1.00 19.24 C ATOM 149 C THR A 9 -9.273 -9.913 8.618 1.00 19.48 C ATOM 150 O THR A 9 -9.641 -11.092 8.732 1.00 23.14 O ATOM 151 CB THR A 9 -11.270 -9.087 7.370 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.776 -8.833 6.098 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.400 -8.071 7.457 1.00 19.70 C ATOM 0 H THR A 9 -9.215 -7.273 7.455 1.00 18.33 H new ATOM 0 HA THR A 9 -10.832 -8.713 9.388 1.00 19.24 H new ATOM 0 HB THR A 9 -11.549 -10.131 7.510 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.464 -9.043 5.432 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.134 -8.275 6.677 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.879 -8.142 8.434 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.998 -7.067 7.322 1.00 19.70 H new ATOM 161 N GLY A 10 -7.954 -9.628 8.714 1.00 19.43 N ATOM 162 CA GLY A 10 -6.887 -10.508 9.280 1.00 18.74 C ATOM 163 C GLY A 10 -6.012 -11.098 8.212 1.00 17.62 C ATOM 164 O GLY A 10 -5.076 -11.854 8.506 1.00 19.74 O ATOM 0 H GLY A 10 -7.579 -8.738 8.385 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.273 -9.932 9.973 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.348 -11.311 9.854 1.00 18.74 H new ATOM 168 N LYS A 11 -6.393 -10.907 6.904 1.00 13.56 N ATOM 169 CA LYS A 11 -5.652 -11.316 5.739 1.00 11.91 C ATOM 170 C LYS A 11 -4.266 -10.745 5.732 1.00 10.18 C ATOM 171 O LYS A 11 -4.066 -9.645 6.212 1.00 9.10 O ATOM 172 CB LYS A 11 -6.382 -10.937 4.441 1.00 13.43 C ATOM 173 CG LYS A 11 -5.864 -11.649 3.125 1.00 16.69 C ATOM 174 CD LYS A 11 -6.905 -11.358 2.063 1.00 17.92 C ATOM 175 CE LYS A 11 -6.683 -12.087 0.730 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.824 -11.879 -0.147 1.00 21.93 N ATOM 0 H LYS A 11 -7.268 -10.441 6.663 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.575 -12.402 5.787 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.441 -11.165 4.562 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.302 -9.859 4.303 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.887 -11.265 2.831 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.752 -12.722 3.279 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.886 -11.630 2.451 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.923 -10.284 1.876 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.775 -11.720 0.252 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.541 -13.153 0.908 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.580 -12.181 -1.112 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.632 -12.436 0.197 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.077 -10.870 -0.154 1.00 21.93 H new ATOM 190 N THR A 12 -3.213 -11.423 5.196 1.00 9.63 N ATOM 191 CA THR A 12 -1.865 -10.827 4.988 1.00 9.85 C ATOM 192 C THR A 12 -1.465 -11.097 3.583 1.00 11.66 C ATOM 193 O THR A 12 -1.382 -12.261 3.233 1.00 12.33 O ATOM 194 CB THR A 12 -0.776 -11.392 5.853 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.101 -11.444 7.262 1.00 10.91 O ATOM 196 CG2 THR A 12 0.480 -10.584 5.724 1.00 9.63 C ATOM 0 H THR A 12 -3.276 -12.396 4.897 1.00 9.63 H new ATOM 0 HA THR A 12 -1.963 -9.771 5.241 1.00 9.85 H new ATOM 0 HB THR A 12 -0.646 -12.412 5.492 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.516 -12.091 7.709 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.255 -11.012 6.360 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.815 -10.595 4.687 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.285 -9.557 6.032 1.00 9.63 H new ATOM 204 N ILE A 13 -1.298 -10.063 2.761 1.00 10.42 N ATOM 205 CA ILE A 13 -1.200 -10.213 1.338 1.00 11.84 C ATOM 206 C ILE A 13 0.174 -9.975 0.791 1.00 10.55 C ATOM 207 O ILE A 13 0.756 -8.971 1.000 1.00 11.92 O ATOM 208 CB ILE A 13 -2.156 -9.234 0.627 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.564 -9.043 1.271 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.112 -9.648 -0.810 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.330 -7.879 0.767 1.00 16.46 C ATOM 0 H ILE A 13 -1.228 -9.097 3.081 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.465 -11.253 1.146 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.825 -8.202 0.740 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.150 -9.946 1.101 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.443 -8.940 2.349 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.767 -9.002 -1.395 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.091 -9.562 -1.182 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.446 -10.682 -0.901 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.294 -7.830 1.274 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.771 -6.964 0.962 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.490 -7.985 -0.306 1.00 16.46 H new ATOM 223 N THR A 14 0.824 -10.933 0.053 1.00 9.39 N ATOM 224 CA THR A 14 2.227 -10.737 -0.344 1.00 9.63 C ATOM 225 C THR A 14 2.382 -10.230 -1.746 1.00 11.20 C ATOM 226 O THR A 14 1.876 -10.805 -2.686 1.00 11.63 O ATOM 227 CB THR A 14 3.004 -12.038 -0.303 1.00 10.38 C ATOM 228 OG1 THR A 14 2.860 -12.711 0.987 1.00 16.30 O ATOM 229 CG2 THR A 14 4.550 -11.911 -0.512 1.00 11.66 C ATOM 0 H THR A 14 0.404 -11.808 -0.260 1.00 9.39 H new ATOM 0 HA THR A 14 2.605 -10.006 0.371 1.00 9.63 H new ATOM 0 HB THR A 14 2.569 -12.591 -1.136 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.551 -12.389 1.603 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.006 -12.900 -0.464 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.750 -11.466 -1.487 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.972 -11.278 0.269 1.00 11.66 H new ATOM 237 N LEU A 15 3.111 -9.126 -1.920 1.00 8.29 N ATOM 238 CA LEU A 15 3.266 -8.458 -3.211 1.00 9.03 C ATOM 239 C LEU A 15 4.655 -8.689 -3.772 1.00 8.59 C ATOM 240 O LEU A 15 5.550 -9.203 -3.090 1.00 7.79 O ATOM 241 CB LEU A 15 2.937 -6.923 -3.196 1.00 11.08 C ATOM 242 CG LEU A 15 1.633 -6.534 -2.424 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.389 -5.043 -2.583 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.383 -7.348 -2.918 1.00 15.27 C ATOM 0 H LEU A 15 3.615 -8.667 -1.161 1.00 8.29 H new ATOM 0 HA LEU A 15 2.520 -8.916 -3.860 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.777 -6.391 -2.750 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.849 -6.575 -4.225 1.00 11.08 H new ATOM 0 HG LEU A 15 1.774 -6.782 -1.372 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.482 -4.764 -2.048 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.235 -4.490 -2.175 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.275 -4.804 -3.640 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.497 -7.042 -2.352 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.218 -7.154 -3.978 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.560 -8.413 -2.767 1.00 15.27 H new ATOM 256 N GLU A 16 4.827 -8.244 -5.056 1.00 11.04 N ATOM 257 CA GLU A 16 6.136 -8.144 -5.744 1.00 11.50 C ATOM 258 C GLU A 16 6.320 -6.679 -6.231 1.00 10.13 C ATOM 259 O GLU A 16 5.585 -6.177 -7.050 1.00 9.83 O ATOM 260 CB GLU A 16 6.187 -9.083 -6.943 1.00 17.22 C ATOM 261 CG GLU A 16 7.461 -9.182 -7.747 1.00 23.33 C ATOM 262 CD GLU A 16 8.642 -9.527 -6.871 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.538 -10.546 -6.191 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.676 -8.802 -6.856 1.00 28.86 O ATOM 0 H GLU A 16 4.046 -7.944 -5.640 1.00 11.04 H new ATOM 0 HA GLU A 16 6.931 -8.425 -5.053 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.946 -10.084 -6.586 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.390 -8.787 -7.626 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.346 -9.941 -8.521 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.647 -8.235 -8.254 1.00 23.33 H new ATOM 271 N VAL A 17 7.310 -5.989 -5.685 1.00 8.99 N ATOM 272 CA VAL A 17 7.620 -4.609 -5.956 1.00 8.85 C ATOM 273 C VAL A 17 9.136 -4.418 -6.114 1.00 8.04 C ATOM 274 O VAL A 17 9.883 -5.358 -5.892 1.00 8.99 O ATOM 275 CB VAL A 17 7.105 -3.679 -4.857 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.626 -3.668 -4.885 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.675 -3.979 -3.443 1.00 10.54 C ATOM 0 H VAL A 17 7.947 -6.406 -5.007 1.00 8.99 H new ATOM 0 HA VAL A 17 7.117 -4.348 -6.887 1.00 8.85 H new ATOM 0 HB VAL A 17 7.478 -2.678 -5.074 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.252 -3.007 -4.103 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.283 -3.312 -5.856 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.251 -4.678 -4.716 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.258 -3.273 -2.725 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.408 -4.994 -3.151 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.760 -3.880 -3.460 1.00 10.54 H new ATOM 287 N GLU A 18 9.617 -3.232 -6.484 1.00 7.29 N ATOM 288 CA GLU A 18 11.036 -2.837 -6.414 1.00 7.08 C ATOM 289 C GLU A 18 11.012 -1.420 -5.790 1.00 6.45 C ATOM 290 O GLU A 18 9.970 -0.753 -5.807 1.00 5.28 O ATOM 291 CB GLU A 18 11.734 -2.750 -7.778 1.00 10.28 C ATOM 292 CG GLU A 18 11.156 -1.655 -8.632 1.00 12.65 C ATOM 293 CD GLU A 18 11.588 -1.665 -10.072 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.623 -1.158 -10.458 1.00 18.17 O ATOM 295 OE2 GLU A 18 10.771 -2.123 -10.952 1.00 14.33 O ATOM 0 H GLU A 18 9.018 -2.493 -6.852 1.00 7.29 H new ATOM 0 HA GLU A 18 11.591 -3.585 -5.848 1.00 7.08 H new ATOM 0 HB2 GLU A 18 12.799 -2.572 -7.631 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.639 -3.704 -8.297 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.069 -1.725 -8.596 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.429 -0.694 -8.195 1.00 12.65 H new ATOM 302 N PRO A 19 12.146 -0.882 -5.225 1.00 7.24 N ATOM 303 CA PRO A 19 12.263 0.327 -4.399 1.00 7.07 C ATOM 304 C PRO A 19 11.680 1.533 -4.944 1.00 6.65 C ATOM 305 O PRO A 19 11.262 2.358 -4.159 1.00 6.37 O ATOM 306 CB PRO A 19 13.749 0.397 -4.052 1.00 7.61 C ATOM 307 CG PRO A 19 14.214 -1.036 -3.936 1.00 8.16 C ATOM 308 CD PRO A 19 13.314 -1.748 -4.964 1.00 7.49 C ATOM 0 HA PRO A 19 11.646 0.256 -3.503 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.306 0.927 -4.824 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.907 0.936 -3.118 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.272 -1.143 -4.177 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.075 -1.430 -2.929 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.863 -1.935 -5.887 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.992 -2.717 -4.582 1.00 7.49 H new ATOM 316 N SER A 20 11.777 1.656 -6.286 1.00 6.80 N ATOM 317 CA SER A 20 11.355 2.817 -7.009 1.00 6.28 C ATOM 318 C SER A 20 9.884 2.741 -7.467 1.00 8.45 C ATOM 319 O SER A 20 9.387 3.616 -8.182 1.00 7.26 O ATOM 320 CB SER A 20 12.245 3.117 -8.281 1.00 8.57 C ATOM 321 OG SER A 20 13.629 3.276 -7.948 1.00 11.13 O ATOM 0 H SER A 20 12.161 0.924 -6.883 1.00 6.80 H new ATOM 0 HA SER A 20 11.471 3.627 -6.289 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.137 2.303 -8.998 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.884 4.022 -8.769 1.00 8.57 H new ATOM 0 HG SER A 20 14.143 3.458 -8.763 1.00 11.13 H new ATOM 327 N ASP A 21 9.082 1.725 -7.181 1.00 7.50 N ATOM 328 CA ASP A 21 7.608 1.793 -7.446 1.00 7.70 C ATOM 329 C ASP A 21 6.961 2.900 -6.498 1.00 7.08 C ATOM 330 O ASP A 21 7.328 3.155 -5.333 1.00 8.11 O ATOM 331 CB ASP A 21 6.923 0.461 -7.207 1.00 11.00 C ATOM 332 CG ASP A 21 7.417 -0.591 -8.211 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.309 -0.187 -9.405 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.598 -1.832 -7.961 1.00 18.03 O ATOM 0 H ASP A 21 9.398 0.846 -6.771 1.00 7.50 H new ATOM 0 HA ASP A 21 7.466 2.052 -8.495 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.121 0.122 -6.190 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.843 0.580 -7.299 1.00 11.00 H new ATOM 339 N THR A 22 5.940 3.605 -7.049 1.00 5.37 N ATOM 340 CA THR A 22 5.135 4.610 -6.411 1.00 6.01 C ATOM 341 C THR A 22 4.049 3.944 -5.709 1.00 8.01 C ATOM 342 O THR A 22 3.612 2.883 -6.112 1.00 8.11 O ATOM 343 CB THR A 22 4.542 5.704 -7.339 1.00 8.92 C ATOM 344 OG1 THR A 22 3.619 5.160 -8.283 1.00 10.22 O ATOM 345 CG2 THR A 22 5.717 6.399 -8.006 1.00 9.65 C ATOM 0 H THR A 22 5.660 3.456 -8.018 1.00 5.37 H new ATOM 0 HA THR A 22 5.811 5.148 -5.746 1.00 6.01 H new ATOM 0 HB THR A 22 3.959 6.423 -6.764 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.266 5.879 -8.848 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.348 7.180 -8.671 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.357 6.844 -7.244 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.290 5.673 -8.582 1.00 9.65 H new ATOM 353 N ILE A 23 3.465 4.568 -4.673 1.00 8.32 N ATOM 354 CA ILE A 23 2.478 3.973 -3.835 1.00 9.92 C ATOM 355 C ILE A 23 1.250 3.665 -4.600 1.00 10.01 C ATOM 356 O ILE A 23 0.702 2.613 -4.425 1.00 8.71 O ATOM 357 CB ILE A 23 2.222 4.775 -2.510 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.396 4.718 -1.635 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.951 4.289 -1.780 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.797 3.314 -0.992 1.00 12.30 C ATOM 0 H ILE A 23 3.691 5.527 -4.410 1.00 8.32 H new ATOM 0 HA ILE A 23 2.876 3.019 -3.489 1.00 9.92 H new ATOM 0 HB ILE A 23 2.052 5.817 -2.782 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.252 5.079 -2.205 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.236 5.423 -0.819 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.810 4.870 -0.868 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.086 4.419 -2.430 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.058 3.235 -1.525 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.685 3.438 -0.372 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.974 2.947 -0.379 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.006 2.597 -1.786 1.00 12.30 H new ATOM 372 N GLU A 24 0.889 4.499 -5.579 1.00 9.54 N ATOM 373 CA GLU A 24 -0.149 4.325 -6.616 1.00 11.81 C ATOM 374 C GLU A 24 -0.094 3.020 -7.439 1.00 11.14 C ATOM 375 O GLU A 24 -1.070 2.310 -7.554 1.00 10.62 O ATOM 376 CB GLU A 24 -0.193 5.499 -7.684 1.00 19.24 C ATOM 377 CG GLU A 24 -1.447 5.479 -8.566 1.00 27.76 C ATOM 378 CD GLU A 24 -1.454 6.552 -9.604 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.428 6.614 -10.390 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.458 7.264 -9.731 1.00 34.80 O ATOM 0 H GLU A 24 1.356 5.400 -5.681 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.038 4.310 -5.985 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.140 6.455 -7.163 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.690 5.434 -8.320 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.523 4.508 -9.056 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.329 5.588 -7.935 1.00 27.76 H new ATOM 387 N ASN A 25 1.105 2.627 -7.929 1.00 9.43 N ATOM 388 CA ASN A 25 1.495 1.299 -8.444 1.00 10.96 C ATOM 389 C ASN A 25 1.339 0.211 -7.441 1.00 9.68 C ATOM 390 O ASN A 25 0.935 -0.881 -7.866 1.00 9.33 O ATOM 391 CB ASN A 25 2.954 1.379 -9.023 1.00 16.78 C ATOM 392 CG ASN A 25 2.895 1.923 -10.460 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.499 1.268 -11.415 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.067 3.229 -10.493 1.00 24.70 N ATOM 0 H ASN A 25 1.884 3.284 -7.977 1.00 9.43 H new ATOM 0 HA ASN A 25 0.809 1.030 -9.247 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.571 2.027 -8.400 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.417 0.392 -9.013 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.867 3.748 -11.348 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.400 3.721 -9.664 1.00 24.70 H new ATOM 401 N VAL A 26 1.691 0.389 -6.128 1.00 6.52 N ATOM 402 CA VAL A 26 1.454 -0.632 -5.103 1.00 5.53 C ATOM 403 C VAL A 26 -0.026 -0.901 -4.885 1.00 4.42 C ATOM 404 O VAL A 26 -0.489 -2.037 -4.905 1.00 3.40 O ATOM 405 CB VAL A 26 2.162 -0.322 -3.733 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.914 -1.569 -2.783 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.643 -0.140 -4.082 1.00 8.12 C ATOM 0 H VAL A 26 2.138 1.235 -5.775 1.00 6.52 H new ATOM 0 HA VAL A 26 1.911 -1.538 -5.501 1.00 5.53 H new ATOM 0 HB VAL A 26 1.792 0.565 -3.219 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.391 -1.393 -1.819 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.843 -1.708 -2.638 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.338 -2.464 -3.239 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.206 0.080 -3.175 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.026 -1.055 -4.534 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.752 0.685 -4.786 1.00 8.12 H new ATOM 417 N LYS A 27 -0.813 0.220 -4.925 1.00 2.64 N ATOM 418 CA LYS A 27 -2.304 0.189 -4.790 1.00 4.14 C ATOM 419 C LYS A 27 -2.986 -0.442 -6.003 1.00 5.58 C ATOM 420 O LYS A 27 -4.015 -1.057 -5.884 1.00 4.11 O ATOM 421 CB LYS A 27 -2.874 1.572 -4.600 1.00 3.97 C ATOM 422 CG LYS A 27 -2.487 2.337 -3.285 1.00 7.45 C ATOM 423 CD LYS A 27 -3.247 3.662 -3.139 1.00 9.02 C ATOM 424 CE LYS A 27 -2.778 4.620 -2.110 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.807 5.630 -1.692 1.00 15.47 N ATOM 0 H LYS A 27 -0.435 1.159 -5.050 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.503 -0.421 -3.909 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.566 2.183 -5.448 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.961 1.497 -4.639 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.697 1.703 -2.423 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.415 2.533 -3.283 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.224 4.169 -4.104 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.290 3.428 -2.927 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.455 4.062 -1.231 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.903 5.146 -2.492 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.437 6.196 -0.901 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.025 6.256 -2.493 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.673 5.139 -1.391 1.00 15.47 H new ATOM 439 N ALA A 28 -2.357 -0.359 -7.192 1.00 6.61 N ATOM 440 CA ALA A 28 -2.843 -0.974 -8.391 1.00 7.74 C ATOM 441 C ALA A 28 -2.536 -2.463 -8.332 1.00 9.17 C ATOM 442 O ALA A 28 -3.340 -3.234 -8.826 1.00 11.45 O ATOM 443 CB ALA A 28 -2.199 -0.298 -9.663 1.00 7.68 C ATOM 0 H ALA A 28 -1.484 0.152 -7.323 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.921 -0.837 -8.470 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.581 -0.779 -10.563 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.455 0.761 -9.681 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.115 -0.408 -9.624 1.00 7.68 H new ATOM 449 N LYS A 29 -1.422 -2.885 -7.681 1.00 8.96 N ATOM 450 CA LYS A 29 -1.177 -4.368 -7.476 1.00 7.90 C ATOM 451 C LYS A 29 -2.123 -4.978 -6.540 1.00 6.92 C ATOM 452 O LYS A 29 -2.513 -6.098 -6.765 1.00 6.87 O ATOM 453 CB LYS A 29 0.263 -4.594 -6.947 1.00 10.28 C ATOM 454 CG LYS A 29 0.840 -5.988 -7.312 1.00 14.94 C ATOM 455 CD LYS A 29 1.058 -6.217 -8.805 1.00 19.69 C ATOM 456 CE LYS A 29 1.814 -7.494 -9.081 1.00 22.63 C ATOM 457 NZ LYS A 29 2.058 -7.730 -10.515 1.00 24.98 N ATOM 0 H LYS A 29 -0.703 -2.270 -7.300 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.316 -4.845 -8.446 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.917 -3.821 -7.351 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.266 -4.480 -5.863 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.791 -6.119 -6.796 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.164 -6.756 -6.935 1.00 14.94 H new ATOM 0 HD2 LYS A 29 0.093 -6.252 -9.310 1.00 19.69 H new ATOM 0 HD3 LYS A 29 1.607 -5.374 -9.224 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.770 -7.462 -8.558 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.254 -8.335 -8.672 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 2.580 -8.621 -10.636 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 1.149 -7.790 -11.016 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.617 -6.945 -10.906 1.00 24.98 H new ATOM 471 N ILE A 30 -2.505 -4.237 -5.437 1.00 4.57 N ATOM 472 CA ILE A 30 -3.607 -4.489 -4.578 1.00 5.58 C ATOM 473 C ILE A 30 -4.911 -4.568 -5.321 1.00 7.26 C ATOM 474 O ILE A 30 -5.656 -5.503 -5.086 1.00 9.46 O ATOM 475 CB ILE A 30 -3.684 -3.534 -3.350 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.449 -3.709 -2.466 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.952 -3.605 -2.521 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.339 -5.075 -1.728 1.00 2.00 C ATOM 0 H ILE A 30 -1.984 -3.407 -5.152 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.418 -5.478 -4.161 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.711 -2.535 -3.784 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.561 -3.577 -3.084 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.441 -2.913 -1.722 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.888 -2.895 -1.696 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.810 -3.358 -3.146 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.071 -4.613 -2.124 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.428 -5.093 -1.130 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.203 -5.207 -1.077 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.309 -5.882 -2.460 1.00 2.00 H new ATOM 490 N GLN A 31 -5.253 -3.600 -6.255 1.00 7.06 N ATOM 491 CA GLN A 31 -6.400 -3.718 -7.088 1.00 8.67 C ATOM 492 C GLN A 31 -6.513 -5.006 -7.958 1.00 10.90 C ATOM 493 O GLN A 31 -7.582 -5.578 -8.020 1.00 9.63 O ATOM 494 CB GLN A 31 -6.537 -2.543 -8.104 1.00 9.12 C ATOM 495 CG GLN A 31 -7.923 -2.301 -8.735 1.00 10.76 C ATOM 496 CD GLN A 31 -7.923 -1.388 -9.947 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.221 -0.196 -9.884 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.545 -2.001 -11.127 1.00 14.76 N ATOM 0 H GLN A 31 -4.714 -2.748 -6.408 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.184 -3.730 -6.331 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.233 -1.626 -7.599 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.825 -2.713 -8.912 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.348 -3.263 -9.023 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.581 -1.875 -7.978 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -7.306 -2.993 -11.133 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.505 -1.462 -11.992 1.00 14.76 H new ATOM 507 N ASP A 32 -5.427 -5.411 -8.606 1.00 10.93 N ATOM 508 CA ASP A 32 -5.368 -6.667 -9.370 1.00 14.01 C ATOM 509 C ASP A 32 -5.762 -7.908 -8.511 1.00 14.04 C ATOM 510 O ASP A 32 -6.571 -8.812 -8.890 1.00 13.39 O ATOM 511 CB ASP A 32 -3.883 -6.872 -9.822 1.00 18.01 C ATOM 512 CG ASP A 32 -3.769 -7.995 -10.780 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.342 -7.765 -11.906 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.109 -9.093 -10.538 1.00 26.29 O ATOM 0 H ASP A 32 -4.556 -4.881 -8.621 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.067 -6.589 -10.203 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.510 -5.957 -10.283 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.258 -7.068 -8.951 1.00 18.01 H new ATOM 519 N LYS A 33 -5.125 -8.088 -7.324 1.00 14.22 N ATOM 520 CA LYS A 33 -5.397 -9.128 -6.343 1.00 14.00 C ATOM 521 C LYS A 33 -6.779 -8.998 -5.757 1.00 12.37 C ATOM 522 O LYS A 33 -7.554 -9.979 -5.784 1.00 12.17 O ATOM 523 CB LYS A 33 -4.308 -8.959 -5.240 1.00 18.62 C ATOM 524 CG LYS A 33 -2.993 -9.542 -5.780 1.00 24.00 C ATOM 525 CD LYS A 33 -1.911 -9.724 -4.737 1.00 27.61 C ATOM 526 CE LYS A 33 -0.526 -10.004 -5.354 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.610 -11.278 -6.071 1.00 30.06 N ATOM 0 H LYS A 33 -4.371 -7.469 -7.027 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.362 -10.116 -6.802 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.183 -7.906 -4.986 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.607 -9.474 -4.327 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.201 -10.507 -6.242 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.616 -8.888 -6.566 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.854 -8.828 -4.119 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.183 -10.548 -4.078 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.240 -9.201 -6.033 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.237 -10.052 -4.577 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.347 -11.597 -6.325 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.062 -11.990 -5.462 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.174 -11.153 -6.936 1.00 30.06 H new ATOM 541 N GLU A 34 -7.157 -7.846 -5.173 1.00 10.11 N ATOM 542 CA GLU A 34 -8.170 -7.760 -4.147 1.00 10.07 C ATOM 543 C GLU A 34 -9.500 -7.105 -4.577 1.00 9.32 C ATOM 544 O GLU A 34 -10.491 -7.148 -3.818 1.00 11.61 O ATOM 545 CB GLU A 34 -7.626 -7.051 -2.773 1.00 14.77 C ATOM 546 CG GLU A 34 -6.505 -7.801 -1.991 1.00 18.75 C ATOM 547 CD GLU A 34 -7.002 -9.116 -1.474 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.794 -9.134 -0.492 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.633 -10.166 -2.026 1.00 21.95 O ATOM 0 H GLU A 34 -6.750 -6.943 -5.417 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.396 -8.808 -3.949 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.257 -6.057 -3.027 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.474 -6.914 -2.103 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.647 -7.963 -2.643 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.162 -7.185 -1.160 1.00 18.75 H new ATOM 556 N GLY A 35 -9.537 -6.582 -5.797 1.00 7.22 N ATOM 557 CA GLY A 35 -10.812 -6.066 -6.269 1.00 6.29 C ATOM 558 C GLY A 35 -11.121 -4.634 -5.898 1.00 6.93 C ATOM 559 O GLY A 35 -12.240 -4.159 -6.051 1.00 7.41 O ATOM 0 H GLY A 35 -8.751 -6.506 -6.442 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.838 -6.154 -7.355 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.607 -6.702 -5.879 1.00 6.29 H new ATOM 563 N ILE A 36 -10.141 -3.889 -5.311 1.00 5.86 N ATOM 564 CA ILE A 36 -10.289 -2.589 -4.609 1.00 6.07 C ATOM 565 C ILE A 36 -9.594 -1.514 -5.461 1.00 6.36 C ATOM 566 O ILE A 36 -8.358 -1.475 -5.532 1.00 6.18 O ATOM 567 CB ILE A 36 -9.704 -2.613 -3.223 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.901 -3.863 -2.308 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.205 -1.336 -2.563 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.059 -3.893 -0.992 1.00 9.49 C ATOM 0 H ILE A 36 -9.170 -4.203 -5.318 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.350 -2.372 -4.490 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.624 -2.683 -3.349 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.956 -3.930 -2.042 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.662 -4.754 -2.889 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.821 -1.278 -1.545 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.859 -0.473 -3.131 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.295 -1.342 -2.540 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.279 -4.807 -0.440 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.998 -3.865 -1.238 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.312 -3.028 -0.378 1.00 9.49 H new ATOM 582 N PRO A 37 -10.236 -0.542 -6.028 1.00 8.65 N ATOM 583 CA PRO A 37 -9.571 0.694 -6.643 1.00 9.18 C ATOM 584 C PRO A 37 -8.470 1.382 -5.830 1.00 9.85 C ATOM 585 O PRO A 37 -8.638 1.318 -4.581 1.00 8.51 O ATOM 586 CB PRO A 37 -10.779 1.637 -6.831 1.00 11.42 C ATOM 587 CG PRO A 37 -11.966 0.744 -7.070 1.00 9.27 C ATOM 588 CD PRO A 37 -11.708 -0.480 -6.160 1.00 8.33 C ATOM 0 HA PRO A 37 -9.020 0.413 -7.541 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.930 2.259 -5.949 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.621 2.311 -7.673 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.899 1.244 -6.810 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.041 0.453 -8.118 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.189 -0.361 -5.189 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.105 -1.394 -6.602 1.00 8.33 H new ATOM 596 N PRO A 38 -7.484 2.025 -6.392 1.00 8.71 N ATOM 597 CA PRO A 38 -6.490 2.846 -5.726 1.00 9.08 C ATOM 598 C PRO A 38 -7.017 3.927 -4.906 1.00 9.28 C ATOM 599 O PRO A 38 -6.428 4.304 -3.894 1.00 6.50 O ATOM 600 CB PRO A 38 -5.541 3.344 -6.856 1.00 10.31 C ATOM 601 CG PRO A 38 -5.505 2.156 -7.754 1.00 10.81 C ATOM 602 CD PRO A 38 -6.974 1.722 -7.735 1.00 12.00 C ATOM 0 HA PRO A 38 -5.964 2.250 -4.980 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.931 4.228 -7.360 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.552 3.603 -6.478 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.164 2.409 -8.758 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.841 1.377 -7.379 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.545 2.255 -8.495 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.066 0.658 -7.954 1.00 12.00 H new ATOM 610 N ASP A 39 -8.097 4.556 -5.305 1.00 11.20 N ATOM 611 CA ASP A 39 -8.738 5.832 -4.836 1.00 14.96 C ATOM 612 C ASP A 39 -9.567 5.494 -3.625 1.00 13.99 C ATOM 613 O ASP A 39 -9.902 6.380 -2.835 1.00 13.75 O ATOM 614 CB ASP A 39 -9.632 6.530 -5.854 1.00 24.16 C ATOM 615 CG ASP A 39 -8.786 7.025 -6.955 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.911 7.828 -6.698 1.00 34.22 O ATOM 617 OD2 ASP A 39 -8.980 6.664 -8.124 1.00 35.55 O ATOM 0 H ASP A 39 -8.644 4.157 -6.068 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.928 6.533 -4.636 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.384 5.839 -6.235 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.167 7.356 -5.386 1.00 24.16 H new ATOM 622 N GLN A 40 -9.782 4.204 -3.345 1.00 11.60 N ATOM 623 CA GLN A 40 -10.510 3.750 -2.170 1.00 10.76 C ATOM 624 C GLN A 40 -9.542 3.303 -1.071 1.00 8.01 C ATOM 625 O GLN A 40 -9.918 3.026 0.073 1.00 8.96 O ATOM 626 CB GLN A 40 -11.425 2.588 -2.577 1.00 11.14 C ATOM 627 CG GLN A 40 -12.399 2.096 -1.512 1.00 14.85 C ATOM 628 CD GLN A 40 -13.162 0.809 -1.864 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.321 0.403 -3.023 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.564 0.030 -0.832 1.00 18.16 N ATOM 0 H GLN A 40 -9.449 3.443 -3.938 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.107 4.571 -1.774 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.999 2.894 -3.452 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.799 1.750 -2.883 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.847 1.930 -0.587 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.124 2.886 -1.313 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.439 0.351 0.128 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -13.991 -0.878 -1.015 1.00 18.16 H new ATOM 639 N GLN A 41 -8.279 3.215 -1.368 1.00 6.52 N ATOM 640 CA GLN A 41 -7.274 2.680 -0.452 1.00 3.87 C ATOM 641 C GLN A 41 -6.411 3.708 0.204 1.00 4.79 C ATOM 642 O GLN A 41 -5.967 4.664 -0.450 1.00 6.34 O ATOM 643 CB GLN A 41 -6.240 1.848 -1.237 1.00 4.20 C ATOM 644 CG GLN A 41 -6.826 0.555 -1.712 1.00 3.20 C ATOM 645 CD GLN A 41 -5.717 -0.120 -2.590 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.664 -0.403 -2.070 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.104 -0.401 -3.872 1.00 7.13 N ATOM 0 H GLN A 41 -7.896 3.514 -2.265 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.866 2.136 0.284 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.882 2.422 -2.091 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.376 1.647 -0.603 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.101 -0.082 -0.871 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.733 0.726 -2.292 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.024 -0.110 -4.202 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.472 -0.902 -4.497 1.00 7.13 H new ATOM 656 N ARG A 42 -6.100 3.478 1.548 1.00 5.73 N ATOM 657 CA ARG A 42 -5.243 4.224 2.350 1.00 6.97 C ATOM 658 C ARG A 42 -4.228 3.193 2.863 1.00 7.15 C ATOM 659 O ARG A 42 -4.639 2.145 3.415 1.00 7.33 O ATOM 660 CB ARG A 42 -5.961 4.909 3.515 1.00 13.23 C ATOM 661 CG ARG A 42 -6.833 6.162 3.077 1.00 21.27 C ATOM 662 CD ARG A 42 -7.153 6.992 4.257 1.00 26.14 C ATOM 663 NE ARG A 42 -8.076 8.110 3.839 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.262 8.418 4.387 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.850 7.634 5.260 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.772 9.573 3.983 1.00 36.39 N ATOM 0 H ARG A 42 -6.511 2.696 2.058 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.787 5.042 1.792 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.606 4.183 4.010 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.221 5.230 4.248 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.289 6.755 2.342 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.753 5.826 2.598 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.625 6.383 5.028 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.239 7.400 4.688 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.767 8.691 3.060 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.405 6.760 5.541 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.752 7.899 5.657 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.265 10.146 3.308 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.671 9.889 4.347 1.00 36.39 H new ATOM 680 N LEU A 43 -2.907 3.429 2.834 1.00 4.65 N ATOM 681 CA LEU A 43 -1.900 2.503 3.301 1.00 3.51 C ATOM 682 C LEU A 43 -1.059 3.190 4.340 1.00 5.56 C ATOM 683 O LEU A 43 -0.629 4.324 4.141 1.00 4.19 O ATOM 684 CB LEU A 43 -1.089 2.059 2.109 1.00 3.74 C ATOM 685 CG LEU A 43 -0.184 0.818 2.347 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.036 -0.424 2.712 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.641 0.418 1.128 1.00 6.41 C ATOM 0 H LEU A 43 -2.514 4.298 2.472 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.340 1.620 3.765 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.771 1.839 1.288 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.461 2.890 1.788 1.00 3.74 H new ATOM 0 HG LEU A 43 0.483 1.117 3.156 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.381 -1.280 2.874 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.601 -0.223 3.622 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.726 -0.644 1.897 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.247 -0.455 1.370 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.026 0.179 0.300 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.292 1.244 0.842 1.00 6.41 H new ATOM 699 N ILE A 44 -0.936 2.526 5.541 1.00 4.58 N ATOM 700 CA ILE A 44 -0.268 3.114 6.701 1.00 5.55 C ATOM 701 C ILE A 44 0.992 2.366 6.977 1.00 5.46 C ATOM 702 O ILE A 44 0.999 1.179 7.138 1.00 6.04 O ATOM 703 CB ILE A 44 -1.167 3.277 7.959 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.399 4.207 7.603 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.359 4.084 9.034 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.500 4.339 8.736 1.00 13.90 C ATOM 0 H ILE A 44 -1.299 1.587 5.704 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.023 4.144 6.442 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.479 2.291 8.304 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.024 5.203 7.366 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.874 3.822 6.701 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.970 4.212 9.928 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.550 3.540 9.290 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.095 5.062 8.632 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.299 4.996 8.392 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.911 3.355 8.960 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.048 4.757 9.636 1.00 13.90 H new ATOM 718 N PHE A 45 2.111 3.041 7.096 1.00 6.75 N ATOM 719 CA PHE A 45 3.389 2.487 7.584 1.00 4.70 C ATOM 720 C PHE A 45 4.080 3.577 8.385 1.00 6.34 C ATOM 721 O PHE A 45 3.983 4.755 8.042 1.00 5.45 O ATOM 722 CB PHE A 45 4.233 2.003 6.372 1.00 5.51 C ATOM 723 CG PHE A 45 5.624 1.585 6.723 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.910 0.276 7.223 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.621 2.546 6.632 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.279 -0.012 7.533 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.903 2.241 6.942 1.00 6.64 C ATOM 728 CZ PHE A 45 8.288 0.915 7.376 1.00 6.84 C ATOM 0 H PHE A 45 2.177 4.029 6.851 1.00 6.75 H new ATOM 0 HA PHE A 45 3.243 1.621 8.230 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.722 1.164 5.899 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.281 2.804 5.634 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.132 -0.460 7.360 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.372 3.547 6.311 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.531 -0.994 7.904 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.659 3.008 6.863 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.320 0.663 7.568 1.00 6.84 H new ATOM 738 N ALA A 46 4.702 3.288 9.548 1.00 6.53 N ATOM 739 CA ALA A 46 5.394 4.214 10.372 1.00 7.15 C ATOM 740 C ALA A 46 4.416 5.215 11.049 1.00 9.00 C ATOM 741 O ALA A 46 4.893 6.261 11.448 1.00 11.15 O ATOM 742 CB ALA A 46 6.656 4.770 9.656 1.00 8.99 C ATOM 0 H ALA A 46 4.717 2.342 9.929 1.00 6.53 H new ATOM 0 HA ALA A 46 5.829 3.715 11.238 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.165 5.476 10.312 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.330 3.948 9.416 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.360 5.276 8.737 1.00 8.99 H new ATOM 748 N GLY A 47 3.083 4.909 11.142 1.00 9.35 N ATOM 749 CA GLY A 47 2.087 5.799 11.620 1.00 11.68 C ATOM 750 C GLY A 47 1.566 6.776 10.621 1.00 11.14 C ATOM 751 O GLY A 47 0.832 7.654 10.934 1.00 13.93 O ATOM 0 H GLY A 47 2.709 4.001 10.868 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.250 5.211 11.998 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.495 6.353 12.465 1.00 11.68 H new ATOM 755 N LYS A 48 2.093 6.730 9.354 1.00 10.47 N ATOM 756 CA LYS A 48 1.879 7.699 8.322 1.00 8.82 C ATOM 757 C LYS A 48 0.994 7.153 7.202 1.00 7.68 C ATOM 758 O LYS A 48 1.160 6.003 6.874 1.00 6.47 O ATOM 759 CB LYS A 48 3.234 7.991 7.611 1.00 9.74 C ATOM 760 CG LYS A 48 4.402 7.975 8.615 1.00 14.14 C ATOM 761 CD LYS A 48 5.691 8.346 7.831 1.00 16.32 C ATOM 762 CE LYS A 48 6.948 8.695 8.665 1.00 20.04 C ATOM 763 NZ LYS A 48 8.001 9.102 7.765 1.00 23.92 N ATOM 0 H LYS A 48 2.699 5.967 9.052 1.00 10.47 H new ATOM 0 HA LYS A 48 1.428 8.567 8.802 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.408 7.247 6.834 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.188 8.962 7.118 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.225 8.686 9.422 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.501 6.991 9.074 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.941 7.511 7.176 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.464 9.197 7.190 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.723 9.495 9.371 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.264 7.832 9.251 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.853 9.340 8.312 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.217 8.324 7.109 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.693 9.935 7.225 1.00 23.92 H new ATOM 777 N GLN A 49 0.113 8.031 6.684 1.00 8.89 N ATOM 778 CA GLN A 49 -0.498 7.688 5.430 1.00 7.18 C ATOM 779 C GLN A 49 0.527 7.869 4.339 1.00 8.23 C ATOM 780 O GLN A 49 1.148 8.875 4.254 1.00 9.70 O ATOM 781 CB GLN A 49 -1.910 8.350 5.238 1.00 11.67 C ATOM 782 CG GLN A 49 -2.960 7.915 6.253 1.00 15.82 C ATOM 783 CD GLN A 49 -4.124 8.875 6.166 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.424 9.577 5.178 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.980 8.839 7.222 1.00 20.67 N ATOM 0 H GLN A 49 -0.165 8.921 7.097 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.777 6.635 5.393 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.799 9.433 5.292 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.273 8.116 4.237 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.290 6.897 6.046 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.540 7.916 7.259 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.757 8.273 8.040 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.845 9.378 7.196 1.00 20.67 H new ATOM 794 N LEU A 50 0.606 6.857 3.419 1.00 6.51 N ATOM 795 CA LEU A 50 1.553 6.892 2.301 1.00 7.41 C ATOM 796 C LEU A 50 0.966 7.545 1.126 1.00 8.27 C ATOM 797 O LEU A 50 -0.178 7.389 0.763 1.00 8.34 O ATOM 798 CB LEU A 50 2.156 5.513 1.965 1.00 7.13 C ATOM 799 CG LEU A 50 2.656 4.753 3.214 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.205 3.423 2.757 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.680 5.463 4.154 1.00 9.11 C ATOM 0 H LEU A 50 0.022 6.021 3.446 1.00 6.51 H new ATOM 0 HA LEU A 50 2.396 7.500 2.630 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.406 4.909 1.455 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.985 5.645 1.270 1.00 7.13 H new ATOM 0 HG LEU A 50 1.779 4.670 3.855 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.566 2.863 3.619 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.418 2.856 2.260 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.028 3.589 2.061 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.932 4.802 4.983 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.583 5.703 3.593 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.240 6.381 4.544 1.00 9.11 H new ATOM 813 N GLU A 51 1.767 8.375 0.427 1.00 9.43 N ATOM 814 CA GLU A 51 1.306 9.281 -0.594 1.00 11.90 C ATOM 815 C GLU A 51 1.431 8.598 -1.915 1.00 11.49 C ATOM 816 O GLU A 51 2.434 8.058 -2.272 1.00 9.88 O ATOM 817 CB GLU A 51 2.037 10.653 -0.726 1.00 16.56 C ATOM 818 CG GLU A 51 1.933 11.486 0.550 1.00 26.06 C ATOM 819 CD GLU A 51 2.897 12.704 0.558 1.00 29.86 C ATOM 820 OE1 GLU A 51 4.087 12.540 0.136 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.415 13.809 0.944 1.00 32.13 O ATOM 0 H GLU A 51 2.775 8.419 0.576 1.00 9.43 H new ATOM 0 HA GLU A 51 0.288 9.523 -0.289 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.087 10.482 -0.962 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.610 11.212 -1.559 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.908 11.840 0.664 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.149 10.852 1.410 1.00 26.06 H new ATOM 828 N ASP A 52 0.373 8.610 -2.723 1.00 12.71 N ATOM 829 CA ASP A 52 0.209 7.878 -3.993 1.00 16.56 C ATOM 830 C ASP A 52 1.390 8.078 -4.972 1.00 15.83 C ATOM 831 O ASP A 52 1.824 7.122 -5.542 1.00 17.21 O ATOM 832 CB ASP A 52 -1.067 8.240 -4.725 1.00 21.05 C ATOM 833 CG ASP A 52 -1.320 9.705 -4.629 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.936 10.083 -3.600 1.00 25.82 O ATOM 835 OD2 ASP A 52 -0.867 10.421 -5.489 1.00 28.37 O ATOM 0 H ASP A 52 -0.452 9.167 -2.500 1.00 12.71 H new ATOM 0 HA ASP A 52 0.170 6.833 -3.685 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.990 7.945 -5.772 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.907 7.690 -4.300 1.00 21.05 H new ATOM 840 N GLY A 53 1.872 9.285 -5.209 1.00 15.00 N ATOM 841 CA GLY A 53 2.889 9.604 -6.188 1.00 11.77 C ATOM 842 C GLY A 53 4.242 9.732 -5.531 1.00 11.10 C ATOM 843 O GLY A 53 5.160 10.227 -6.156 1.00 11.25 O ATOM 0 H GLY A 53 1.548 10.106 -4.698 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.922 8.827 -6.951 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.635 10.536 -6.693 1.00 11.77 H new ATOM 847 N ARG A 54 4.442 9.161 -4.346 1.00 8.53 N ATOM 848 CA ARG A 54 5.767 8.950 -3.793 1.00 9.05 C ATOM 849 C ARG A 54 6.094 7.493 -3.707 1.00 8.96 C ATOM 850 O ARG A 54 5.251 6.612 -3.794 1.00 11.60 O ATOM 851 CB ARG A 54 5.879 9.603 -2.350 1.00 7.97 C ATOM 852 CG ARG A 54 7.222 9.491 -1.657 1.00 9.62 C ATOM 853 CD ARG A 54 7.210 10.146 -0.285 1.00 12.20 C ATOM 854 NE ARG A 54 6.679 11.563 -0.339 1.00 18.23 N ATOM 855 CZ ARG A 54 7.330 12.673 0.016 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.663 12.751 0.079 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.594 13.772 0.240 1.00 23.38 N ATOM 0 H ARG A 54 3.686 8.833 -3.745 1.00 8.53 H new ATOM 0 HA ARG A 54 6.481 9.428 -4.463 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.626 10.660 -2.434 1.00 7.97 H new ATOM 0 HB3 ARG A 54 5.126 9.145 -1.709 1.00 7.97 H new ATOM 0 HG2 ARG A 54 7.491 8.440 -1.555 1.00 9.62 H new ATOM 0 HG3 ARG A 54 7.989 9.958 -2.275 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.596 9.554 0.394 1.00 12.20 H new ATOM 0 HD3 ARG A 54 8.221 10.153 0.123 1.00 12.20 H new ATOM 0 HE ARG A 54 5.726 11.682 -0.682 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.233 11.937 -0.150 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.110 13.625 0.356 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.580 13.736 0.137 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.049 14.643 0.513 1.00 23.38 H new ATOM 871 N THR A 55 7.391 7.193 -3.703 1.00 9.05 N ATOM 872 CA THR A 55 7.854 5.880 -3.912 1.00 9.03 C ATOM 873 C THR A 55 8.071 5.170 -2.574 1.00 8.15 C ATOM 874 O THR A 55 8.012 5.700 -1.443 1.00 5.91 O ATOM 875 CB THR A 55 9.147 5.773 -4.731 1.00 11.15 C ATOM 876 OG1 THR A 55 10.247 6.366 -4.164 1.00 11.95 O ATOM 877 CG2 THR A 55 8.981 6.370 -6.173 1.00 11.71 C ATOM 0 H THR A 55 8.131 7.879 -3.551 1.00 9.05 H new ATOM 0 HA THR A 55 7.069 5.402 -4.498 1.00 9.03 H new ATOM 0 HB THR A 55 9.326 4.698 -4.765 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.022 6.247 -4.752 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.920 6.273 -6.717 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.197 5.829 -6.703 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.710 7.423 -6.102 1.00 11.71 H new ATOM 885 N LEU A 56 8.319 3.863 -2.618 1.00 6.91 N ATOM 886 CA LEU A 56 8.676 2.919 -1.522 1.00 8.29 C ATOM 887 C LEU A 56 10.011 3.271 -0.915 1.00 8.05 C ATOM 888 O LEU A 56 10.091 3.396 0.332 1.00 10.17 O ATOM 889 CB LEU A 56 8.724 1.509 -2.110 1.00 6.60 C ATOM 890 CG LEU A 56 7.398 0.941 -2.439 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.700 -0.377 -3.091 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.423 0.712 -1.212 1.00 8.64 C ATOM 0 H LEU A 56 8.274 3.371 -3.510 1.00 6.91 H new ATOM 0 HA LEU A 56 7.929 2.980 -0.730 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.334 1.525 -3.013 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.223 0.849 -1.401 1.00 6.60 H new ATOM 0 HG LEU A 56 6.861 1.653 -3.066 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.767 -0.868 -3.368 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.302 -0.212 -3.984 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.250 -1.010 -2.395 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.482 0.293 -1.568 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.883 0.021 -0.506 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.232 1.664 -0.717 1.00 8.64 H new ATOM 904 N SER A 57 11.056 3.572 -1.709 1.00 8.92 N ATOM 905 CA SER A 57 12.404 3.985 -1.258 1.00 9.00 C ATOM 906 C SER A 57 12.395 5.222 -0.284 1.00 9.44 C ATOM 907 O SER A 57 13.167 5.346 0.662 1.00 10.91 O ATOM 908 CB SER A 57 13.307 4.405 -2.493 1.00 10.32 C ATOM 909 OG SER A 57 14.668 4.716 -2.229 1.00 13.59 O ATOM 0 H SER A 57 10.984 3.533 -2.726 1.00 8.92 H new ATOM 0 HA SER A 57 12.796 3.114 -0.733 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.281 3.594 -3.221 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.848 5.273 -2.967 1.00 10.32 H new ATOM 0 HG SER A 57 15.117 4.957 -3.066 1.00 13.59 H new ATOM 915 N ASP A 58 11.532 6.230 -0.456 1.00 9.11 N ATOM 916 CA ASP A 58 11.606 7.510 0.221 1.00 7.91 C ATOM 917 C ASP A 58 10.897 7.465 1.612 1.00 9.12 C ATOM 918 O ASP A 58 10.727 8.505 2.294 1.00 8.61 O ATOM 919 CB ASP A 58 10.965 8.571 -0.718 1.00 8.41 C ATOM 920 CG ASP A 58 11.473 9.948 -0.484 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.706 10.179 -0.333 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.671 10.919 -0.420 1.00 10.05 O ATOM 0 H ASP A 58 10.739 6.165 -1.094 1.00 9.11 H new ATOM 0 HA ASP A 58 12.645 7.770 0.425 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.157 8.292 -1.754 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.884 8.562 -0.580 1.00 8.41 H new ATOM 927 N TYR A 59 10.337 6.328 1.950 1.00 7.97 N ATOM 928 CA TYR A 59 9.684 5.854 3.124 1.00 8.45 C ATOM 929 C TYR A 59 10.520 4.755 3.749 1.00 10.98 C ATOM 930 O TYR A 59 10.172 4.326 4.839 1.00 12.95 O ATOM 931 CB TYR A 59 8.262 5.252 2.922 1.00 7.94 C ATOM 932 CG TYR A 59 7.235 6.302 2.572 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.907 7.242 3.535 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.558 6.294 1.349 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.886 8.175 3.303 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.564 7.236 1.084 1.00 6.52 C ATOM 937 CZ TYR A 59 5.246 8.215 2.049 1.00 6.76 C ATOM 938 OH TYR A 59 4.297 9.153 1.766 1.00 7.63 O ATOM 0 H TYR A 59 10.339 5.579 1.258 1.00 7.97 H new ATOM 0 HA TYR A 59 9.573 6.744 3.743 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.297 4.504 2.130 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.956 4.738 3.833 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.442 7.257 4.473 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.806 5.553 0.604 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.591 8.861 4.084 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.038 7.216 0.141 1.00 6.52 H new ATOM 0 HH TYR A 59 4.733 10.000 1.534 1.00 7.63 H new ATOM 948 N ASN A 60 11.626 4.250 3.089 1.00 12.38 N ATOM 949 CA ASN A 60 12.479 3.204 3.498 1.00 13.94 C ATOM 950 C ASN A 60 11.803 1.907 3.878 1.00 14.16 C ATOM 951 O ASN A 60 12.017 1.315 4.924 1.00 14.26 O ATOM 952 CB ASN A 60 13.390 3.657 4.656 1.00 19.23 C ATOM 953 CG ASN A 60 14.625 2.792 4.657 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.199 2.598 3.577 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.008 2.242 5.855 1.00 24.09 N ATOM 0 H ASN A 60 11.916 4.636 2.191 1.00 12.38 H new ATOM 0 HA ASN A 60 13.059 2.981 2.602 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.662 4.706 4.537 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.865 3.570 5.607 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.819 1.624 5.897 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.482 2.451 6.703 1.00 24.09 H new ATOM 962 N ILE A 61 10.919 1.425 2.941 1.00 11.08 N ATOM 963 CA ILE A 61 10.184 0.232 2.961 1.00 11.78 C ATOM 964 C ILE A 61 11.060 -0.881 2.318 1.00 13.74 C ATOM 965 O ILE A 61 11.541 -0.760 1.198 1.00 14.60 O ATOM 966 CB ILE A 61 8.825 0.412 2.280 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.002 1.640 2.904 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.137 -0.942 2.306 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.669 1.838 2.274 1.00 11.42 C ATOM 0 H ILE A 61 10.727 1.959 2.093 1.00 11.08 H new ATOM 0 HA ILE A 61 9.950 -0.065 3.983 1.00 11.78 H new ATOM 0 HB ILE A 61 8.921 0.711 1.236 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.869 1.473 3.973 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.587 2.553 2.794 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.160 -0.863 1.829 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.745 -1.670 1.768 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.011 -1.267 3.339 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.167 2.684 2.743 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.795 2.036 1.210 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.067 0.939 2.407 1.00 11.42 H new ATOM 981 N GLN A 62 11.323 -1.909 3.061 1.00 13.97 N ATOM 982 CA GLN A 62 12.369 -2.891 2.832 1.00 15.52 C ATOM 983 C GLN A 62 11.755 -4.259 2.427 1.00 13.94 C ATOM 984 O GLN A 62 10.540 -4.379 2.476 1.00 12.15 O ATOM 985 CB GLN A 62 13.229 -3.141 4.091 1.00 19.53 C ATOM 986 CG GLN A 62 13.865 -1.806 4.681 1.00 26.38 C ATOM 987 CD GLN A 62 14.792 -2.187 5.855 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.591 -3.090 5.741 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.542 -1.513 6.999 1.00 32.71 N ATOM 0 H GLN A 62 10.784 -2.110 3.903 1.00 13.97 H new ATOM 0 HA GLN A 62 12.993 -2.482 2.037 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.614 -3.614 4.857 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.028 -3.841 3.846 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.427 -1.280 3.909 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.080 -1.130 5.021 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.851 -0.763 7.008 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.045 -1.754 7.853 1.00 32.71 H new ATOM 998 N LYS A 63 12.587 -5.239 1.998 1.00 11.73 N ATOM 999 CA LYS A 63 12.206 -6.622 1.850 1.00 11.97 C ATOM 1000 C LYS A 63 11.783 -7.211 3.159 1.00 10.41 C ATOM 1001 O LYS A 63 12.396 -6.907 4.155 1.00 9.59 O ATOM 1002 CB LYS A 63 13.402 -7.425 1.264 1.00 13.73 C ATOM 1003 CG LYS A 63 14.663 -7.710 2.107 1.00 16.98 C ATOM 1004 CD LYS A 63 15.809 -8.340 1.298 1.00 20.19 C ATOM 1005 CE LYS A 63 17.176 -8.443 2.022 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.043 -9.517 3.026 1.00 25.97 N ATOM 0 H LYS A 63 13.559 -5.062 1.745 1.00 11.73 H new ATOM 0 HA LYS A 63 11.356 -6.678 1.170 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.010 -8.390 0.941 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.730 -6.898 0.368 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.012 -6.778 2.552 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.399 -8.376 2.928 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.505 -9.342 0.994 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.946 -7.758 0.386 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.973 -8.671 1.314 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.434 -7.497 2.499 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.940 -9.624 3.541 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.286 -9.274 3.697 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.808 -10.411 2.549 1.00 25.97 H new ATOM 1020 N GLU A 64 10.661 -7.998 3.051 1.00 10.04 N ATOM 1021 CA GLU A 64 9.955 -8.635 4.105 1.00 10.94 C ATOM 1022 C GLU A 64 9.313 -7.653 5.047 1.00 9.74 C ATOM 1023 O GLU A 64 9.237 -7.909 6.219 1.00 9.42 O ATOM 1024 CB GLU A 64 10.775 -9.712 4.909 1.00 18.31 C ATOM 1025 CG GLU A 64 11.676 -10.534 3.996 1.00 24.16 C ATOM 1026 CD GLU A 64 12.434 -11.648 4.780 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.810 -12.527 5.385 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.694 -11.691 4.794 1.00 31.72 O ATOM 0 H GLU A 64 10.236 -8.187 2.143 1.00 10.04 H new ATOM 0 HA GLU A 64 9.173 -9.187 3.584 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.381 -9.216 5.667 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.087 -10.375 5.434 1.00 18.31 H new ATOM 0 HG2 GLU A 64 11.076 -10.989 3.207 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.397 -9.877 3.510 1.00 24.16 H new ATOM 1035 N SER A 65 8.914 -6.466 4.553 1.00 6.85 N ATOM 1036 CA SER A 65 8.243 -5.454 5.399 1.00 6.90 C ATOM 1037 C SER A 65 6.758 -5.403 5.147 1.00 4.72 C ATOM 1038 O SER A 65 6.209 -5.924 4.173 1.00 3.91 O ATOM 1039 CB SER A 65 8.931 -3.977 5.246 1.00 7.28 C ATOM 1040 OG SER A 65 8.630 -3.070 6.324 1.00 10.56 O ATOM 0 H SER A 65 9.042 -6.183 3.581 1.00 6.85 H new ATOM 0 HA SER A 65 8.382 -5.768 6.434 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.012 -4.098 5.179 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.601 -3.531 4.308 1.00 7.28 H new ATOM 0 HG SER A 65 9.076 -2.212 6.164 1.00 10.56 H new ATOM 1046 N THR A 66 6.065 -4.770 6.147 1.00 4.48 N ATOM 1047 CA THR A 66 4.641 -4.889 6.412 1.00 3.80 C ATOM 1048 C THR A 66 3.962 -3.590 6.389 1.00 4.60 C ATOM 1049 O THR A 66 4.228 -2.710 7.225 1.00 5.33 O ATOM 1050 CB THR A 66 4.318 -5.506 7.787 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.984 -6.754 7.913 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.838 -5.812 7.925 1.00 3.40 C ATOM 0 H THR A 66 6.529 -4.142 6.804 1.00 4.48 H new ATOM 0 HA THR A 66 4.288 -5.542 5.614 1.00 3.80 H new ATOM 0 HB THR A 66 4.632 -4.785 8.542 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.781 -7.146 8.788 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.646 -6.246 8.906 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.264 -4.891 7.817 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.539 -6.519 7.151 1.00 3.40 H new ATOM 1060 N LEU A 67 3.028 -3.436 5.478 1.00 4.17 N ATOM 1061 CA LEU A 67 2.228 -2.246 5.289 1.00 3.85 C ATOM 1062 C LEU A 67 0.820 -2.460 5.770 1.00 3.80 C ATOM 1063 O LEU A 67 0.213 -3.525 5.676 1.00 5.54 O ATOM 1064 CB LEU A 67 2.327 -1.672 3.860 1.00 7.18 C ATOM 1065 CG LEU A 67 3.739 -1.761 3.317 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.832 -1.135 1.888 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.789 -0.926 4.087 1.00 11.66 C ATOM 0 H LEU A 67 2.794 -4.175 4.815 1.00 4.17 H new ATOM 0 HA LEU A 67 2.650 -1.462 5.917 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.649 -2.215 3.202 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.003 -0.631 3.863 1.00 7.18 H new ATOM 0 HG LEU A 67 3.946 -2.829 3.379 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.856 -1.212 1.523 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.164 -1.670 1.212 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.541 -0.086 1.931 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.767 -1.055 3.624 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.509 0.127 4.058 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.832 -1.261 5.123 1.00 11.66 H new ATOM 1079 N HIS A 68 0.127 -1.426 6.292 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.220 -1.605 6.809 1.00 4.17 C ATOM 1081 C HIS A 68 -2.313 -1.007 5.980 1.00 5.32 C ATOM 1082 O HIS A 68 -2.368 0.229 5.815 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.322 -1.046 8.209 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.103 -1.493 9.017 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.835 -0.572 9.530 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.341 -2.729 9.294 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.795 -1.360 10.114 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.538 -2.646 9.998 1.00 16.30 N ATOM 0 H HIS A 68 0.485 -0.473 6.360 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.375 -2.684 6.788 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.373 0.042 8.176 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.238 -1.394 8.687 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.155 -3.647 9.014 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.668 -0.967 10.615 1.00 14.75 H new ATOM 0 HE2 HIS A 68 2.100 -3.421 10.351 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.353 -1.774 5.444 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.416 -1.340 4.569 1.00 3.97 C ATOM 1098 C LEU A 69 -5.611 -0.880 5.298 1.00 5.07 C ATOM 1099 O LEU A 69 -6.093 -1.609 6.161 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.770 -2.461 3.555 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.652 -2.130 2.382 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.832 -1.230 1.407 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.023 -3.366 1.616 1.00 9.96 C ATOM 0 H LEU A 69 -3.429 -2.769 5.657 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.046 -0.472 4.022 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.834 -2.857 3.162 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.249 -3.268 4.110 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.554 -1.643 2.753 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.447 -0.973 0.545 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.529 -0.318 1.921 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.946 -1.769 1.073 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.661 -3.095 0.774 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.119 -3.849 1.245 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.559 -4.053 2.271 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.164 0.251 4.939 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.365 0.778 5.513 1.00 6.26 C ATOM 1117 C VAL A 70 -8.098 1.481 4.357 1.00 9.22 C ATOM 1118 O VAL A 70 -7.468 1.863 3.371 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.321 1.781 6.748 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.763 1.087 8.043 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.394 2.921 6.434 1.00 8.54 C ATOM 0 H VAL A 70 -5.771 0.848 4.211 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.837 -0.092 5.968 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.342 2.120 6.922 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.749 1.805 8.863 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.402 0.245 8.309 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.750 0.729 7.857 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.363 3.608 7.279 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.393 2.534 6.244 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.753 3.449 5.550 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.463 1.519 4.419 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.134 1.917 3.236 1.00 16.06 C ATOM 1133 C LEU A 71 -10.996 3.161 3.478 1.00 18.09 C ATOM 1134 O LEU A 71 -11.711 3.285 4.457 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.964 0.740 2.797 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.233 -0.554 2.350 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.202 -1.715 1.946 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.351 -0.199 1.151 1.00 19.57 C ATOM 0 H LEU A 71 -10.044 1.291 5.226 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.423 2.196 2.458 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.629 0.478 3.620 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.594 1.068 1.970 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.655 -0.919 3.199 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.620 -2.586 1.645 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.832 -1.975 2.796 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.829 -1.393 1.115 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.822 -1.090 0.812 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.973 0.183 0.342 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.628 0.563 1.444 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.863 4.103 2.554 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.595 5.381 2.480 1.00 25.83 C ATOM 1152 C ARG A 72 -13.098 5.194 2.187 1.00 27.74 C ATOM 1153 O ARG A 72 -13.529 4.326 1.401 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.875 6.203 1.433 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.341 7.654 1.432 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.424 8.453 0.513 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.554 9.881 0.754 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.953 10.853 0.031 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.091 10.588 -0.926 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.240 12.128 0.245 1.00 35.02 N ATOM 0 H ARG A 72 -10.203 3.998 1.784 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.593 5.895 3.441 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.801 6.166 1.618 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.044 5.766 0.449 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.373 7.721 1.089 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.314 8.062 2.443 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.390 8.147 0.671 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.666 8.233 -0.527 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.146 10.173 1.531 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.854 9.620 -1.146 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.659 11.350 -1.449 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.920 12.385 0.961 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.781 12.853 -0.306 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.944 6.157 2.748 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.383 6.351 2.524 1.00 30.76 C ATOM 1176 C LEU A 73 -15.647 7.725 2.002 1.00 32.18 C ATOM 1177 O LEU A 73 -14.758 8.580 2.128 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.194 6.216 3.800 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.137 4.894 4.508 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.761 5.002 5.907 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.868 3.837 3.674 1.00 29.11 C ATOM 0 H LEU A 73 -13.578 6.845 3.406 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.679 5.579 1.814 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.862 6.987 4.495 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.236 6.428 3.563 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.095 4.598 4.627 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.710 4.033 6.404 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.214 5.740 6.494 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.803 5.310 5.818 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.827 2.876 4.187 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.908 4.134 3.542 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.389 3.748 2.699 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.822 7.963 1.449 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.313 9.301 1.171 1.00 35.33 C ATOM 1195 C ARG A 74 -17.472 10.171 2.420 1.00 36.22 C ATOM 1196 O ARG A 74 -18.380 10.006 3.276 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.661 9.211 0.442 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.582 8.397 -0.870 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.485 8.966 -1.865 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.489 8.181 -3.085 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.525 8.160 -3.983 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -15.330 8.742 -3.851 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.750 7.431 -5.070 1.00 41.93 N ATOM 0 H ARG A 74 -17.470 7.224 1.177 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.560 9.783 0.548 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.396 8.754 1.104 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.015 10.217 0.219 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -18.354 7.357 -0.637 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.555 8.407 -1.361 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -17.691 10.012 -2.092 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.501 8.929 -1.399 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.306 7.597 -3.262 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -15.104 9.256 -2.999 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -14.643 8.673 -4.602 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.631 6.927 -5.173 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.042 7.375 -5.802 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.514 11.090 2.583 1.00 36.31 N ATOM 1218 CA GLY A 75 -16.536 11.906 3.793 1.00 36.07 C ATOM 1219 C GLY A 75 -15.892 11.309 4.981 1.00 36.16 C ATOM 1220 O GLY A 75 -16.024 11.768 6.109 1.00 36.26 O ATOM 0 H GLY A 75 -15.754 11.279 1.930 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -16.048 12.856 3.577 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -17.574 12.130 4.039 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.238 10.148 4.715 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.517 9.435 5.797 1.00 36.19 C ATOM 1226 C GLY A 76 -13.168 8.910 5.252 1.00 36.20 C ATOM 1227 O GLY A 76 -12.897 7.656 5.296 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.402 9.780 4.776 1.00 0.00 O ATOM 0 H GLY A 76 -15.195 9.702 3.799 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.346 10.106 6.639 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.120 8.606 6.167 1.00 36.19 H new TER 1232 GLY A 76