USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 599 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 25 ASN : amide:sc= -3.42! C(o=-6.3!,f=-15!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 159:sc= -2.85! (180deg=-0.944) USER MOD Set 2.1: A 7 THR OG1 : rot 126:sc= 0.345 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.189 USER MOD Single : A 1 MET CE :methyl -169:sc= 0 (180deg=-0.102) USER MOD Single : A 1 MET N :NH3+ 145:sc= 1.04 (180deg=0.121!) USER MOD Single : A 2 GLN : amide:sc= -0.0144 K(o=-0.014,f=-0.84) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -158:sc= 1.26 (180deg=1.18) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0769 USER MOD Single : A 14 THR OG1 : rot -73:sc= 1.42 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0194 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= -2.74! (180deg=-2.85!) USER MOD Single : A 31 GLN : amide:sc= -0.663 K(o=-0.66,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ -113:sc= -2.56 (180deg=-7.54!) USER MOD Single : A 40 GLN : amide:sc= -0.755 K(o=-0.76,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.865 K(o=-0.87,f=-4.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.57! K(o=-1.6!,f=-0.011) 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 165:sc= 0.351 USER MOD Single : A 60 ASN : amide:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.19) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 72:sc= 1.03 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=-0.0046) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 54.015 -88.009 9.498 1.00 9.67 N ATOM 2 CA MET A 1 52.647 -87.443 9.674 1.00 10.38 C ATOM 3 C MET A 1 51.877 -87.557 8.364 1.00 9.62 C ATOM 4 O MET A 1 52.467 -87.554 7.283 1.00 9.62 O ATOM 5 CB MET A 1 52.755 -85.973 10.093 1.00 13.77 C ATOM 6 CG MET A 1 53.573 -85.198 9.060 1.00 16.29 C ATOM 7 SD MET A 1 53.941 -83.545 9.709 1.00 17.17 S ATOM 8 CE MET A 1 53.585 -82.596 8.207 1.00 16.11 C ATOM 0 H1 MET A 1 54.693 -87.463 10.068 1.00 9.67 H new ATOM 0 H2 MET A 1 54.023 -89.002 9.808 1.00 9.67 H new ATOM 0 H3 MET A 1 54.286 -87.958 8.495 1.00 9.67 H new ATOM 0 HA MET A 1 52.117 -87.998 10.448 1.00 10.38 H new ATOM 0 HB2 MET A 1 51.760 -85.537 10.183 1.00 13.77 H new ATOM 0 HB3 MET A 1 53.226 -85.899 11.073 1.00 13.77 H new ATOM 0 HG2 MET A 1 54.499 -85.729 8.839 1.00 16.29 H new ATOM 0 HG3 MET A 1 53.019 -85.119 8.125 1.00 16.29 H new ATOM 0 HE1 MET A 1 53.935 -81.571 8.332 1.00 16.11 H new ATOM 0 HE2 MET A 1 54.095 -83.053 7.359 1.00 16.11 H new ATOM 0 HE3 MET A 1 52.510 -82.592 8.025 1.00 16.11 H new ATOM 20 N GLN A 2 50.554 -87.663 8.468 1.00 9.27 N ATOM 21 CA GLN A 2 49.701 -87.785 7.286 1.00 9.07 C ATOM 22 C GLN A 2 49.120 -86.428 6.916 1.00 8.72 C ATOM 23 O GLN A 2 48.714 -85.648 7.779 1.00 8.22 O ATOM 24 CB GLN A 2 48.549 -88.752 7.572 1.00 14.46 C ATOM 25 CG GLN A 2 49.085 -90.178 7.687 1.00 17.01 C ATOM 26 CD GLN A 2 47.986 -91.107 8.193 1.00 20.10 C ATOM 27 OE1 GLN A 2 47.214 -90.733 9.075 1.00 21.89 O ATOM 28 NE2 GLN A 2 47.871 -92.304 7.685 1.00 19.49 N ATOM 0 H GLN A 2 50.050 -87.667 9.355 1.00 9.27 H new ATOM 0 HA GLN A 2 50.306 -88.162 6.461 1.00 9.07 H new ATOM 0 HB2 GLN A 2 48.045 -88.468 8.496 1.00 14.46 H new ATOM 0 HB3 GLN A 2 47.808 -88.696 6.774 1.00 14.46 H new ATOM 0 HG2 GLN A 2 49.444 -90.520 6.716 1.00 17.01 H new ATOM 0 HG3 GLN A 2 49.936 -90.202 8.368 1.00 17.01 H new ATOM 0 HE21 GLN A 2 48.512 -92.612 6.954 1.00 19.49 H new ATOM 0 HE22 GLN A 2 47.140 -92.932 8.019 1.00 19.49 H new ATOM 37 N ILE A 3 49.052 -86.178 5.606 1.00 5.87 N ATOM 38 CA ILE A 3 48.485 -84.943 5.074 1.00 5.07 C ATOM 39 C ILE A 3 47.471 -85.294 3.986 1.00 4.01 C ATOM 40 O ILE A 3 47.427 -86.433 3.515 1.00 4.61 O ATOM 41 CB ILE A 3 49.584 -84.012 4.538 1.00 6.55 C ATOM 42 CG1 ILE A 3 50.299 -84.621 3.322 1.00 4.72 C ATOM 43 CG2 ILE A 3 50.615 -83.761 5.643 1.00 5.58 C ATOM 44 CD1 ILE A 3 51.114 -83.525 2.631 1.00 10.83 C ATOM 0 H ILE A 3 49.387 -86.823 4.891 1.00 5.87 H new ATOM 0 HA ILE A 3 47.979 -84.403 5.874 1.00 5.07 H new ATOM 0 HB ILE A 3 49.113 -83.079 4.228 1.00 6.55 H new ATOM 0 HG12 ILE A 3 50.952 -85.435 3.636 1.00 4.72 H new ATOM 0 HG13 ILE A 3 49.572 -85.044 2.629 1.00 4.72 H new ATOM 0 HG21 ILE A 3 51.397 -83.101 5.268 1.00 5.58 H new ATOM 0 HG22 ILE A 3 50.126 -83.294 6.498 1.00 5.58 H new ATOM 0 HG23 ILE A 3 51.057 -84.709 5.950 1.00 5.58 H new ATOM 0 HD11 ILE A 3 51.627 -83.944 1.765 1.00 10.83 H new ATOM 0 HD12 ILE A 3 50.447 -82.726 2.306 1.00 10.83 H new ATOM 0 HD13 ILE A 3 51.849 -83.123 3.329 1.00 10.83 H new ATOM 56 N PHE A 4 46.663 -84.308 3.583 1.00 4.55 N ATOM 57 CA PHE A 4 45.653 -84.530 2.538 1.00 4.68 C ATOM 58 C PHE A 4 45.824 -83.538 1.393 1.00 5.30 C ATOM 59 O PHE A 4 46.053 -82.362 1.621 1.00 5.58 O ATOM 60 CB PHE A 4 44.254 -84.361 3.133 1.00 4.83 C ATOM 61 CG PHE A 4 44.022 -85.409 4.196 1.00 7.97 C ATOM 62 CD1 PHE A 4 43.475 -86.650 3.845 1.00 8.34 C ATOM 63 CD2 PHE A 4 44.350 -85.142 5.531 1.00 6.69 C ATOM 64 CE1 PHE A 4 43.258 -87.623 4.828 1.00 10.61 C ATOM 65 CE2 PHE A 4 44.132 -86.117 6.514 1.00 9.10 C ATOM 66 CZ PHE A 4 43.586 -87.356 6.162 1.00 8.90 C ATOM 0 H PHE A 4 46.686 -83.360 3.957 1.00 4.55 H new ATOM 0 HA PHE A 4 45.781 -85.541 2.151 1.00 4.68 H new ATOM 0 HB2 PHE A 4 44.149 -83.365 3.562 1.00 4.83 H new ATOM 0 HB3 PHE A 4 43.502 -84.451 2.349 1.00 4.83 H new ATOM 0 HD1 PHE A 4 43.221 -86.856 2.816 1.00 8.34 H new ATOM 0 HD2 PHE A 4 44.771 -84.185 5.803 1.00 6.69 H new ATOM 0 HE1 PHE A 4 42.837 -88.580 4.557 1.00 10.61 H new ATOM 0 HE2 PHE A 4 44.386 -85.912 7.544 1.00 9.10 H new ATOM 0 HZ PHE A 4 43.418 -88.107 6.920 1.00 8.90 H new ATOM 76 N VAL A 5 45.666 -84.019 0.155 1.00 4.44 N ATOM 77 CA VAL A 5 45.755 -83.146 -1.025 1.00 3.87 C ATOM 78 C VAL A 5 44.437 -83.228 -1.792 1.00 4.93 C ATOM 79 O VAL A 5 44.017 -84.311 -2.190 1.00 6.84 O ATOM 80 CB VAL A 5 46.906 -83.566 -1.946 1.00 2.99 C ATOM 81 CG1 VAL A 5 46.997 -82.574 -3.114 1.00 5.28 C ATOM 82 CG2 VAL A 5 48.228 -83.535 -1.168 1.00 9.13 C ATOM 0 H VAL A 5 45.477 -84.999 -0.057 1.00 4.44 H new ATOM 0 HA VAL A 5 45.946 -82.126 -0.692 1.00 3.87 H new ATOM 0 HB VAL A 5 46.724 -84.574 -2.318 1.00 2.99 H new ATOM 0 HG11 VAL A 5 47.813 -82.864 -3.775 1.00 5.28 H new ATOM 0 HG12 VAL A 5 46.060 -82.580 -3.670 1.00 5.28 H new ATOM 0 HG13 VAL A 5 47.183 -81.572 -2.727 1.00 5.28 H new ATOM 0 HG21 VAL A 5 49.044 -83.834 -1.826 1.00 9.13 H new ATOM 0 HG22 VAL A 5 48.410 -82.525 -0.800 1.00 9.13 H new ATOM 0 HG23 VAL A 5 48.170 -84.224 -0.325 1.00 9.13 H new ATOM 92 N LYS A 6 43.794 -82.081 -2.022 1.00 6.04 N ATOM 93 CA LYS A 6 42.531 -82.054 -2.773 1.00 6.12 C ATOM 94 C LYS A 6 42.775 -81.611 -4.214 1.00 6.57 C ATOM 95 O LYS A 6 43.592 -80.727 -4.476 1.00 5.76 O ATOM 96 CB LYS A 6 41.508 -81.108 -2.107 1.00 7.45 C ATOM 97 CG LYS A 6 40.671 -81.882 -1.076 1.00 11.12 C ATOM 98 CD LYS A 6 39.611 -80.960 -0.485 1.00 14.54 C ATOM 99 CE LYS A 6 38.688 -81.762 0.435 1.00 18.84 C ATOM 100 NZ LYS A 6 37.743 -80.838 1.122 1.00 20.55 N ATOM 0 H LYS A 6 44.120 -81.168 -1.705 1.00 6.04 H new ATOM 0 HA LYS A 6 42.123 -83.065 -2.771 1.00 6.12 H new ATOM 0 HB2 LYS A 6 42.027 -80.282 -1.620 1.00 7.45 H new ATOM 0 HB3 LYS A 6 40.856 -80.673 -2.864 1.00 7.45 H new ATOM 0 HG2 LYS A 6 40.197 -82.742 -1.549 1.00 11.12 H new ATOM 0 HG3 LYS A 6 41.315 -82.267 -0.285 1.00 11.12 H new ATOM 0 HD2 LYS A 6 40.086 -80.154 0.073 1.00 14.54 H new ATOM 0 HD3 LYS A 6 39.032 -80.496 -1.284 1.00 14.54 H new ATOM 0 HE2 LYS A 6 38.134 -82.501 -0.143 1.00 18.84 H new ATOM 0 HE3 LYS A 6 39.277 -82.309 1.171 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 37.116 -81.384 1.747 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 38.280 -80.149 1.686 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 37.172 -80.335 0.413 1.00 20.55 H new ATOM 114 N THR A 7 42.041 -82.232 -5.148 1.00 7.41 N ATOM 115 CA THR A 7 42.165 -81.894 -6.566 1.00 7.48 C ATOM 116 C THR A 7 40.981 -81.044 -7.035 1.00 8.75 C ATOM 117 O THR A 7 39.936 -80.977 -6.388 1.00 8.58 O ATOM 118 CB THR A 7 42.228 -83.160 -7.419 1.00 9.61 C ATOM 119 OG1 THR A 7 40.954 -83.785 -7.448 1.00 11.78 O ATOM 120 CG2 THR A 7 43.267 -84.131 -6.857 1.00 9.17 C ATOM 0 H THR A 7 41.361 -82.965 -4.946 1.00 7.41 H new ATOM 0 HA THR A 7 43.087 -81.325 -6.684 1.00 7.48 H new ATOM 0 HB THR A 7 42.518 -82.884 -8.433 1.00 9.61 H new ATOM 0 HG1 THR A 7 40.677 -83.919 -8.378 1.00 11.78 H new ATOM 0 HG21 THR A 7 43.299 -85.028 -7.476 1.00 9.17 H new ATOM 0 HG22 THR A 7 44.247 -83.655 -6.857 1.00 9.17 H new ATOM 0 HG23 THR A 7 42.996 -84.404 -5.837 1.00 9.17 H new ATOM 128 N LEU A 8 41.184 -80.410 -8.160 1.00 9.84 N ATOM 129 CA LEU A 8 40.148 -79.552 -8.740 1.00 14.15 C ATOM 130 C LEU A 8 38.904 -80.348 -9.125 1.00 17.37 C ATOM 131 O LEU A 8 37.853 -79.762 -9.383 1.00 17.01 O ATOM 132 CB LEU A 8 40.675 -78.825 -9.975 1.00 16.63 C ATOM 133 CG LEU A 8 41.834 -77.912 -9.578 1.00 18.88 C ATOM 134 CD1 LEU A 8 42.484 -77.349 -10.846 1.00 19.31 C ATOM 135 CD2 LEU A 8 41.337 -76.754 -8.687 1.00 18.59 C ATOM 0 H LEU A 8 42.047 -80.462 -8.701 1.00 9.84 H new ATOM 0 HA LEU A 8 39.875 -78.826 -7.975 1.00 14.15 H new ATOM 0 HB2 LEU A 8 41.007 -79.548 -10.720 1.00 16.63 H new ATOM 0 HB3 LEU A 8 39.878 -78.239 -10.432 1.00 16.63 H new ATOM 0 HG LEU A 8 42.564 -78.490 -9.011 1.00 18.88 H new ATOM 0 HD11 LEU A 8 43.312 -76.696 -10.571 1.00 19.31 H new ATOM 0 HD12 LEU A 8 42.857 -78.170 -11.459 1.00 19.31 H new ATOM 0 HD13 LEU A 8 41.746 -76.780 -11.411 1.00 19.31 H new ATOM 0 HD21 LEU A 8 42.179 -76.116 -8.416 1.00 18.59 H new ATOM 0 HD22 LEU A 8 40.598 -76.167 -9.232 1.00 18.59 H new ATOM 0 HD23 LEU A 8 40.883 -77.160 -7.783 1.00 18.59 H new ATOM 147 N THR A 9 39.013 -81.679 -9.177 1.00 18.33 N ATOM 148 CA THR A 9 37.863 -82.512 -9.550 1.00 19.24 C ATOM 149 C THR A 9 37.123 -83.031 -8.319 1.00 19.48 C ATOM 150 O THR A 9 36.126 -83.743 -8.438 1.00 23.14 O ATOM 151 CB THR A 9 38.286 -83.666 -10.463 1.00 18.97 C ATOM 152 OG1 THR A 9 39.127 -84.550 -9.736 1.00 20.24 O ATOM 153 CG2 THR A 9 39.047 -83.123 -11.673 1.00 19.70 C ATOM 0 H THR A 9 39.868 -82.196 -8.970 1.00 18.33 H new ATOM 0 HA THR A 9 37.172 -81.880 -10.107 1.00 19.24 H new ATOM 0 HB THR A 9 37.399 -84.197 -10.809 1.00 18.97 H new ATOM 0 HG1 THR A 9 39.400 -85.292 -10.315 1.00 20.24 H new ATOM 0 HG21 THR A 9 39.344 -83.950 -12.317 1.00 19.70 H new ATOM 0 HG22 THR A 9 38.405 -82.441 -12.231 1.00 19.70 H new ATOM 0 HG23 THR A 9 39.935 -82.589 -11.335 1.00 19.70 H new ATOM 161 N GLY A 10 37.583 -82.623 -7.137 1.00 19.43 N ATOM 162 CA GLY A 10 36.920 -83.004 -5.889 1.00 18.74 C ATOM 163 C GLY A 10 37.482 -84.270 -5.252 1.00 17.62 C ATOM 164 O GLY A 10 36.873 -84.847 -4.351 1.00 19.74 O ATOM 0 H GLY A 10 38.406 -82.033 -7.017 1.00 19.43 H new ATOM 0 HA2 GLY A 10 37.006 -82.182 -5.178 1.00 18.74 H new ATOM 0 HA3 GLY A 10 35.857 -83.148 -6.083 1.00 18.74 H new ATOM 168 N LYS A 11 38.648 -84.698 -5.729 1.00 13.56 N ATOM 169 CA LYS A 11 39.270 -85.906 -5.184 1.00 11.91 C ATOM 170 C LYS A 11 40.206 -85.550 -4.034 1.00 10.18 C ATOM 171 O LYS A 11 40.912 -84.550 -4.112 1.00 9.10 O ATOM 172 CB LYS A 11 40.091 -86.627 -6.255 1.00 13.43 C ATOM 173 CG LYS A 11 40.523 -88.001 -5.743 1.00 16.69 C ATOM 174 CD LYS A 11 41.342 -88.709 -6.824 1.00 17.92 C ATOM 175 CE LYS A 11 41.779 -90.084 -6.316 1.00 20.81 C ATOM 176 NZ LYS A 11 42.547 -90.786 -7.383 1.00 21.93 N ATOM 0 H LYS A 11 39.173 -84.240 -6.474 1.00 13.56 H new ATOM 0 HA LYS A 11 38.468 -86.555 -4.832 1.00 11.91 H new ATOM 0 HB2 LYS A 11 39.501 -86.737 -7.165 1.00 13.43 H new ATOM 0 HB3 LYS A 11 40.968 -86.034 -6.514 1.00 13.43 H new ATOM 0 HG2 LYS A 11 41.115 -87.893 -4.834 1.00 16.69 H new ATOM 0 HG3 LYS A 11 39.648 -88.597 -5.485 1.00 16.69 H new ATOM 0 HD2 LYS A 11 40.749 -88.817 -7.732 1.00 17.92 H new ATOM 0 HD3 LYS A 11 42.216 -88.111 -7.083 1.00 17.92 H new ATOM 0 HE2 LYS A 11 42.394 -89.975 -5.422 1.00 20.81 H new ATOM 0 HE3 LYS A 11 40.907 -90.673 -6.033 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 42.524 -91.811 -7.210 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 42.120 -90.582 -8.309 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 43.533 -90.455 -7.376 1.00 21.93 H new ATOM 190 N THR A 12 40.246 -86.382 -2.986 1.00 9.63 N ATOM 191 CA THR A 12 41.159 -86.126 -1.857 1.00 9.85 C ATOM 192 C THR A 12 42.161 -87.275 -1.768 1.00 11.66 C ATOM 193 O THR A 12 41.767 -88.439 -1.710 1.00 12.33 O ATOM 194 CB THR A 12 40.384 -86.005 -0.540 1.00 10.85 C ATOM 195 OG1 THR A 12 39.461 -84.929 -0.638 1.00 10.91 O ATOM 196 CG2 THR A 12 41.371 -85.713 0.596 1.00 9.63 C ATOM 0 H THR A 12 39.673 -87.220 -2.893 1.00 9.63 H new ATOM 0 HA THR A 12 41.680 -85.184 -2.026 1.00 9.85 H new ATOM 0 HB THR A 12 39.850 -86.934 -0.340 1.00 10.85 H new ATOM 0 HG1 THR A 12 38.962 -84.849 0.201 1.00 10.91 H new ATOM 0 HG21 THR A 12 40.827 -85.625 1.537 1.00 9.63 H new ATOM 0 HG22 THR A 12 42.093 -86.526 0.669 1.00 9.63 H new ATOM 0 HG23 THR A 12 41.895 -84.779 0.392 1.00 9.63 H new ATOM 204 N ILE A 13 43.457 -86.949 -1.738 1.00 10.42 N ATOM 205 CA ILE A 13 44.502 -87.976 -1.632 1.00 11.84 C ATOM 206 C ILE A 13 45.194 -87.878 -0.277 1.00 10.55 C ATOM 207 O ILE A 13 45.495 -86.785 0.196 1.00 11.92 O ATOM 208 CB ILE A 13 45.575 -87.810 -2.721 1.00 14.86 C ATOM 209 CG1 ILE A 13 44.895 -87.501 -4.055 1.00 14.87 C ATOM 210 CG2 ILE A 13 46.390 -89.101 -2.845 1.00 17.08 C ATOM 211 CD1 ILE A 13 45.926 -87.504 -5.185 1.00 16.46 C ATOM 0 H ILE A 13 43.807 -85.992 -1.785 1.00 10.42 H new ATOM 0 HA ILE A 13 44.013 -88.943 -1.752 1.00 11.84 H new ATOM 0 HB ILE A 13 46.243 -86.991 -2.453 1.00 14.86 H new ATOM 0 HG12 ILE A 13 44.121 -88.241 -4.257 1.00 14.87 H new ATOM 0 HG13 ILE A 13 44.402 -86.530 -4.004 1.00 14.87 H new ATOM 0 HG21 ILE A 13 47.149 -88.979 -3.618 1.00 17.08 H new ATOM 0 HG22 ILE A 13 46.873 -89.319 -1.893 1.00 17.08 H new ATOM 0 HG23 ILE A 13 45.728 -89.925 -3.113 1.00 17.08 H new ATOM 0 HD11 ILE A 13 45.430 -87.283 -6.130 1.00 16.46 H new ATOM 0 HD12 ILE A 13 46.685 -86.747 -4.987 1.00 16.46 H new ATOM 0 HD13 ILE A 13 46.399 -88.485 -5.244 1.00 16.46 H new ATOM 223 N THR A 14 45.468 -89.035 0.333 1.00 9.39 N ATOM 224 CA THR A 14 46.154 -89.071 1.624 1.00 9.63 C ATOM 225 C THR A 14 47.609 -89.466 1.400 1.00 11.20 C ATOM 226 O THR A 14 47.889 -90.434 0.694 1.00 11.63 O ATOM 227 CB THR A 14 45.483 -90.085 2.553 1.00 10.38 C ATOM 228 OG1 THR A 14 44.127 -89.712 2.757 1.00 16.30 O ATOM 229 CG2 THR A 14 46.215 -90.115 3.895 1.00 11.66 C ATOM 0 H THR A 14 45.227 -89.951 -0.044 1.00 9.39 H new ATOM 0 HA THR A 14 46.102 -88.086 2.088 1.00 9.63 H new ATOM 0 HB THR A 14 45.523 -91.076 2.100 1.00 10.38 H new ATOM 0 HG1 THR A 14 44.088 -88.927 3.343 1.00 16.30 H new ATOM 0 HG21 THR A 14 45.735 -90.838 4.555 1.00 11.66 H new ATOM 0 HG22 THR A 14 47.254 -90.402 3.736 1.00 11.66 H new ATOM 0 HG23 THR A 14 46.178 -89.126 4.352 1.00 11.66 H new ATOM 237 N LEU A 15 48.536 -88.710 1.990 1.00 8.29 N ATOM 238 CA LEU A 15 49.967 -88.994 1.830 1.00 9.03 C ATOM 239 C LEU A 15 50.654 -89.100 3.182 1.00 8.59 C ATOM 240 O LEU A 15 50.286 -88.408 4.129 1.00 7.79 O ATOM 241 CB LEU A 15 50.629 -87.868 1.030 1.00 11.08 C ATOM 242 CG LEU A 15 50.001 -87.770 -0.367 1.00 15.79 C ATOM 243 CD1 LEU A 15 50.567 -86.539 -1.083 1.00 15.88 C ATOM 244 CD2 LEU A 15 50.321 -89.037 -1.185 1.00 15.27 C ATOM 0 H LEU A 15 48.327 -87.903 2.578 1.00 8.29 H new ATOM 0 HA LEU A 15 50.067 -89.943 1.304 1.00 9.03 H new ATOM 0 HB2 LEU A 15 50.512 -86.921 1.556 1.00 11.08 H new ATOM 0 HB3 LEU A 15 51.699 -88.054 0.943 1.00 11.08 H new ATOM 0 HG LEU A 15 48.919 -87.680 -0.271 1.00 15.79 H new ATOM 0 HD11 LEU A 15 50.126 -86.461 -2.077 1.00 15.88 H new ATOM 0 HD12 LEU A 15 50.329 -85.643 -0.510 1.00 15.88 H new ATOM 0 HD13 LEU A 15 51.649 -86.636 -1.173 1.00 15.88 H new ATOM 0 HD21 LEU A 15 49.870 -88.955 -2.174 1.00 15.27 H new ATOM 0 HD22 LEU A 15 51.401 -89.141 -1.286 1.00 15.27 H new ATOM 0 HD23 LEU A 15 49.918 -89.911 -0.674 1.00 15.27 H new ATOM 256 N GLU A 16 51.705 -89.915 3.245 1.00 11.04 N ATOM 257 CA GLU A 16 52.503 -90.042 4.462 1.00 11.50 C ATOM 258 C GLU A 16 53.770 -89.234 4.223 1.00 10.13 C ATOM 259 O GLU A 16 54.492 -89.474 3.255 1.00 9.83 O ATOM 260 CB GLU A 16 52.830 -91.513 4.751 1.00 17.22 C ATOM 261 CG GLU A 16 53.668 -91.625 6.031 1.00 23.33 C ATOM 262 CD GLU A 16 52.833 -91.221 7.241 1.00 26.99 C ATOM 263 OE1 GLU A 16 51.619 -91.241 7.132 1.00 28.86 O ATOM 264 OE2 GLU A 16 53.420 -90.900 8.261 1.00 28.90 O ATOM 0 H GLU A 16 52.023 -90.496 2.469 1.00 11.04 H new ATOM 0 HA GLU A 16 51.961 -89.672 5.332 1.00 11.50 H new ATOM 0 HB2 GLU A 16 51.908 -92.084 4.860 1.00 17.22 H new ATOM 0 HB3 GLU A 16 53.375 -91.944 3.911 1.00 17.22 H new ATOM 0 HG2 GLU A 16 54.027 -92.647 6.152 1.00 23.33 H new ATOM 0 HG3 GLU A 16 54.547 -90.985 5.956 1.00 23.33 H new ATOM 271 N VAL A 17 54.026 -88.254 5.085 1.00 8.99 N ATOM 272 CA VAL A 17 55.199 -87.395 4.930 1.00 8.85 C ATOM 273 C VAL A 17 55.851 -87.096 6.270 1.00 8.04 C ATOM 274 O VAL A 17 55.271 -87.321 7.332 1.00 8.99 O ATOM 275 CB VAL A 17 54.785 -86.066 4.293 1.00 9.78 C ATOM 276 CG1 VAL A 17 54.199 -86.304 2.900 1.00 12.05 C ATOM 277 CG2 VAL A 17 53.739 -85.393 5.185 1.00 10.54 C ATOM 0 H VAL A 17 53.443 -88.035 5.893 1.00 8.99 H new ATOM 0 HA VAL A 17 55.912 -87.924 4.297 1.00 8.85 H new ATOM 0 HB VAL A 17 55.660 -85.424 4.196 1.00 9.78 H new ATOM 0 HG11 VAL A 17 53.909 -85.350 2.459 1.00 12.05 H new ATOM 0 HG12 VAL A 17 54.946 -86.783 2.268 1.00 12.05 H new ATOM 0 HG13 VAL A 17 53.323 -86.948 2.979 1.00 12.05 H new ATOM 0 HG21 VAL A 17 53.437 -84.445 4.740 1.00 10.54 H new ATOM 0 HG22 VAL A 17 52.869 -86.043 5.279 1.00 10.54 H new ATOM 0 HG23 VAL A 17 54.165 -85.211 6.172 1.00 10.54 H new ATOM 287 N GLU A 18 57.051 -86.531 6.189 1.00 7.29 N ATOM 288 CA GLU A 18 57.802 -86.118 7.373 1.00 7.08 C ATOM 289 C GLU A 18 57.989 -84.599 7.285 1.00 6.45 C ATOM 290 O GLU A 18 58.056 -84.070 6.176 1.00 5.28 O ATOM 291 CB GLU A 18 59.163 -86.816 7.415 1.00 10.28 C ATOM 292 CG GLU A 18 58.964 -88.320 7.615 1.00 12.65 C ATOM 293 CD GLU A 18 58.458 -88.600 9.027 1.00 14.15 C ATOM 294 OE1 GLU A 18 58.834 -87.867 9.927 1.00 14.33 O ATOM 295 OE2 GLU A 18 57.702 -89.544 9.187 1.00 18.17 O ATOM 0 H GLU A 18 57.530 -86.347 5.307 1.00 7.29 H new ATOM 0 HA GLU A 18 57.264 -86.391 8.281 1.00 7.08 H new ATOM 0 HB2 GLU A 18 59.706 -86.631 6.488 1.00 10.28 H new ATOM 0 HB3 GLU A 18 59.767 -86.408 8.225 1.00 10.28 H new ATOM 0 HG2 GLU A 18 58.252 -88.701 6.883 1.00 12.65 H new ATOM 0 HG3 GLU A 18 59.905 -88.844 7.447 1.00 12.65 H new ATOM 302 N PRO A 19 58.061 -83.864 8.375 1.00 7.24 N ATOM 303 CA PRO A 19 58.224 -82.392 8.277 1.00 7.07 C ATOM 304 C PRO A 19 59.467 -81.984 7.487 1.00 6.65 C ATOM 305 O PRO A 19 59.533 -80.877 6.947 1.00 6.37 O ATOM 306 CB PRO A 19 58.293 -81.884 9.732 1.00 7.61 C ATOM 307 CG PRO A 19 57.711 -83.005 10.547 1.00 8.16 C ATOM 308 CD PRO A 19 58.002 -84.306 9.779 1.00 7.49 C ATOM 0 HA PRO A 19 57.391 -81.952 7.729 1.00 7.07 H new ATOM 0 HB2 PRO A 19 59.319 -81.668 10.029 1.00 7.61 H new ATOM 0 HB3 PRO A 19 57.724 -80.963 9.859 1.00 7.61 H new ATOM 0 HG2 PRO A 19 58.158 -83.034 11.541 1.00 8.16 H new ATOM 0 HG3 PRO A 19 56.638 -82.868 10.684 1.00 8.16 H new ATOM 0 HD2 PRO A 19 58.940 -84.760 10.098 1.00 7.49 H new ATOM 0 HD3 PRO A 19 57.219 -85.049 9.935 1.00 7.49 H new ATOM 316 N SER A 20 60.457 -82.878 7.439 1.00 6.80 N ATOM 317 CA SER A 20 61.705 -82.602 6.734 1.00 6.28 C ATOM 318 C SER A 20 61.607 -82.931 5.248 1.00 8.45 C ATOM 319 O SER A 20 62.554 -82.689 4.501 1.00 7.26 O ATOM 320 CB SER A 20 62.849 -83.401 7.355 1.00 8.57 C ATOM 321 OG SER A 20 62.472 -84.767 7.457 1.00 11.13 O ATOM 0 H SER A 20 60.416 -83.797 7.880 1.00 6.80 H new ATOM 0 HA SER A 20 61.901 -81.534 6.832 1.00 6.28 H new ATOM 0 HB2 SER A 20 63.747 -83.305 6.745 1.00 8.57 H new ATOM 0 HB3 SER A 20 63.090 -83.005 8.341 1.00 8.57 H new ATOM 0 HG SER A 20 63.206 -85.280 7.854 1.00 11.13 H new ATOM 327 N ASP A 21 60.466 -83.455 4.802 1.00 7.50 N ATOM 328 CA ASP A 21 60.306 -83.763 3.386 1.00 7.70 C ATOM 329 C ASP A 21 60.189 -82.452 2.633 1.00 7.08 C ATOM 330 O ASP A 21 59.546 -81.496 3.088 1.00 8.11 O ATOM 331 CB ASP A 21 59.043 -84.606 3.163 1.00 11.00 C ATOM 332 CG ASP A 21 59.295 -86.060 3.555 1.00 15.32 C ATOM 333 OD1 ASP A 21 60.448 -86.423 3.715 1.00 18.03 O ATOM 334 OD2 ASP A 21 58.326 -86.789 3.689 1.00 14.36 O ATOM 0 H ASP A 21 59.658 -83.670 5.386 1.00 7.50 H new ATOM 0 HA ASP A 21 61.163 -84.334 3.029 1.00 7.70 H new ATOM 0 HB2 ASP A 21 58.220 -84.202 3.752 1.00 11.00 H new ATOM 0 HB3 ASP A 21 58.743 -84.552 2.117 1.00 11.00 H new ATOM 339 N THR A 22 60.793 -82.442 1.441 1.00 5.37 N ATOM 340 CA THR A 22 60.736 -81.280 0.576 1.00 6.01 C ATOM 341 C THR A 22 59.485 -81.338 -0.283 1.00 8.01 C ATOM 342 O THR A 22 58.925 -82.405 -0.520 1.00 8.11 O ATOM 343 CB THR A 22 61.959 -81.189 -0.334 1.00 8.92 C ATOM 344 OG1 THR A 22 62.042 -82.348 -1.150 1.00 10.22 O ATOM 345 CG2 THR A 22 63.241 -81.030 0.488 1.00 9.65 C ATOM 0 H THR A 22 61.323 -83.227 1.062 1.00 5.37 H new ATOM 0 HA THR A 22 60.717 -80.397 1.215 1.00 6.01 H new ATOM 0 HB THR A 22 61.851 -80.310 -0.969 1.00 8.92 H new ATOM 0 HG1 THR A 22 62.827 -82.282 -1.732 1.00 10.22 H new ATOM 0 HG21 THR A 22 64.098 -80.967 -0.183 1.00 9.65 H new ATOM 0 HG22 THR A 22 63.180 -80.120 1.085 1.00 9.65 H new ATOM 0 HG23 THR A 22 63.359 -81.889 1.148 1.00 9.65 H new ATOM 353 N ILE A 23 59.077 -80.178 -0.759 1.00 8.32 N ATOM 354 CA ILE A 23 57.909 -80.069 -1.622 1.00 9.92 C ATOM 355 C ILE A 23 58.131 -80.872 -2.907 1.00 10.01 C ATOM 356 O ILE A 23 57.220 -81.548 -3.381 1.00 8.71 O ATOM 357 CB ILE A 23 57.646 -78.591 -1.908 1.00 10.78 C ATOM 358 CG1 ILE A 23 57.248 -77.870 -0.607 1.00 11.38 C ATOM 359 CG2 ILE A 23 56.553 -78.436 -2.967 1.00 10.90 C ATOM 360 CD1 ILE A 23 55.987 -78.480 0.016 1.00 12.30 C ATOM 0 H ILE A 23 59.538 -79.290 -0.563 1.00 8.32 H new ATOM 0 HA ILE A 23 57.030 -80.486 -1.130 1.00 9.92 H new ATOM 0 HB ILE A 23 58.559 -78.138 -2.295 1.00 10.78 H new ATOM 0 HG12 ILE A 23 58.070 -77.926 0.106 1.00 11.38 H new ATOM 0 HG13 ILE A 23 57.077 -76.814 -0.814 1.00 11.38 H new ATOM 0 HG21 ILE A 23 56.379 -77.377 -3.158 1.00 10.90 H new ATOM 0 HG22 ILE A 23 56.868 -78.924 -3.889 1.00 10.90 H new ATOM 0 HG23 ILE A 23 55.632 -78.896 -2.609 1.00 10.90 H new ATOM 0 HD11 ILE A 23 55.738 -77.944 0.932 1.00 12.30 H new ATOM 0 HD12 ILE A 23 55.158 -78.400 -0.688 1.00 12.30 H new ATOM 0 HD13 ILE A 23 56.167 -79.530 0.247 1.00 12.30 H new ATOM 372 N GLU A 24 59.346 -80.824 -3.454 1.00 9.54 N ATOM 373 CA GLU A 24 59.651 -81.591 -4.666 1.00 11.81 C ATOM 374 C GLU A 24 59.433 -83.072 -4.376 1.00 11.14 C ATOM 375 O GLU A 24 58.951 -83.815 -5.228 1.00 10.62 O ATOM 376 CB GLU A 24 61.104 -81.358 -5.094 1.00 19.24 C ATOM 377 CG GLU A 24 61.394 -82.124 -6.389 1.00 27.76 C ATOM 378 CD GLU A 24 62.839 -81.893 -6.818 1.00 32.92 C ATOM 379 OE1 GLU A 24 63.559 -81.243 -6.079 1.00 34.80 O ATOM 380 OE2 GLU A 24 63.203 -82.369 -7.881 1.00 36.51 O ATOM 0 H GLU A 24 60.123 -80.274 -3.087 1.00 9.54 H new ATOM 0 HA GLU A 24 58.996 -81.266 -5.475 1.00 11.81 H new ATOM 0 HB2 GLU A 24 61.282 -80.293 -5.243 1.00 19.24 H new ATOM 0 HB3 GLU A 24 61.782 -81.687 -4.306 1.00 19.24 H new ATOM 0 HG2 GLU A 24 61.216 -83.189 -6.239 1.00 27.76 H new ATOM 0 HG3 GLU A 24 60.715 -81.795 -7.176 1.00 27.76 H new ATOM 387 N ASN A 25 59.789 -83.490 -3.169 1.00 9.43 N ATOM 388 CA ASN A 25 59.616 -84.889 -2.791 1.00 10.96 C ATOM 389 C ASN A 25 58.127 -85.219 -2.729 1.00 9.68 C ATOM 390 O ASN A 25 57.698 -86.267 -3.208 1.00 9.33 O ATOM 391 CB ASN A 25 60.274 -85.165 -1.443 1.00 16.78 C ATOM 392 CG ASN A 25 60.301 -86.666 -1.184 1.00 22.31 C ATOM 393 OD1 ASN A 25 59.515 -87.412 -1.767 1.00 25.66 O ATOM 394 ND2 ASN A 25 61.172 -87.156 -0.349 1.00 24.70 N ATOM 0 H ASN A 25 60.192 -82.895 -2.446 1.00 9.43 H new ATOM 0 HA ASN A 25 60.095 -85.520 -3.539 1.00 10.96 H new ATOM 0 HB2 ASN A 25 61.288 -84.766 -1.434 1.00 16.78 H new ATOM 0 HB3 ASN A 25 59.725 -84.659 -0.649 1.00 16.78 H new ATOM 0 HD21 ASN A 25 61.204 -88.161 -0.177 1.00 24.70 H new ATOM 0 HD22 ASN A 25 61.822 -86.535 0.133 1.00 24.70 H new ATOM 401 N VAL A 26 57.340 -84.313 -2.151 1.00 6.52 N ATOM 402 CA VAL A 26 55.899 -84.526 -2.059 1.00 5.53 C ATOM 403 C VAL A 26 55.311 -84.650 -3.465 1.00 4.42 C ATOM 404 O VAL A 26 54.466 -85.513 -3.712 1.00 3.40 O ATOM 405 CB VAL A 26 55.219 -83.387 -1.293 1.00 3.86 C ATOM 406 CG1 VAL A 26 53.698 -83.533 -1.390 1.00 7.25 C ATOM 407 CG2 VAL A 26 55.652 -83.419 0.175 1.00 8.12 C ATOM 0 H VAL A 26 57.670 -83.437 -1.745 1.00 6.52 H new ATOM 0 HA VAL A 26 55.718 -85.449 -1.508 1.00 5.53 H new ATOM 0 HB VAL A 26 55.515 -82.434 -1.731 1.00 3.86 H new ATOM 0 HG11 VAL A 26 53.219 -82.721 -0.844 1.00 7.25 H new ATOM 0 HG12 VAL A 26 53.395 -83.495 -2.436 1.00 7.25 H new ATOM 0 HG13 VAL A 26 53.396 -84.488 -0.959 1.00 7.25 H new ATOM 0 HG21 VAL A 26 55.166 -82.607 0.716 1.00 8.12 H new ATOM 0 HG22 VAL A 26 55.365 -84.373 0.618 1.00 8.12 H new ATOM 0 HG23 VAL A 26 56.734 -83.300 0.238 1.00 8.12 H new ATOM 417 N LYS A 27 55.769 -83.803 -4.400 1.00 2.64 N ATOM 418 CA LYS A 27 55.281 -83.863 -5.773 1.00 4.14 C ATOM 419 C LYS A 27 55.587 -85.237 -6.358 1.00 5.58 C ATOM 420 O LYS A 27 54.783 -85.805 -7.092 1.00 4.11 O ATOM 421 CB LYS A 27 55.994 -82.849 -6.667 1.00 3.97 C ATOM 422 CG LYS A 27 55.736 -81.388 -6.243 1.00 7.45 C ATOM 423 CD LYS A 27 55.731 -80.509 -7.515 1.00 9.02 C ATOM 424 CE LYS A 27 55.832 -79.007 -7.156 1.00 12.90 C ATOM 425 NZ LYS A 27 56.708 -78.329 -8.151 1.00 15.47 N ATOM 0 H LYS A 27 56.467 -83.080 -4.227 1.00 2.64 H new ATOM 0 HA LYS A 27 54.212 -83.653 -5.744 1.00 4.14 H new ATOM 0 HB2 LYS A 27 57.066 -83.044 -6.646 1.00 3.97 H new ATOM 0 HB3 LYS A 27 55.665 -82.986 -7.697 1.00 3.97 H new ATOM 0 HG2 LYS A 27 54.783 -81.306 -5.721 1.00 7.45 H new ATOM 0 HG3 LYS A 27 56.508 -81.051 -5.551 1.00 7.45 H new ATOM 0 HD2 LYS A 27 56.566 -80.789 -8.157 1.00 9.02 H new ATOM 0 HD3 LYS A 27 54.818 -80.690 -8.082 1.00 9.02 H new ATOM 0 HE2 LYS A 27 54.841 -78.553 -7.155 1.00 12.90 H new ATOM 0 HE3 LYS A 27 56.239 -78.886 -6.152 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 56.864 -77.343 -7.861 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 57.622 -78.823 -8.203 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 56.251 -78.347 -9.085 1.00 15.47 H new ATOM 439 N ALA A 28 56.774 -85.750 -6.040 1.00 6.61 N ATOM 440 CA ALA A 28 57.193 -87.045 -6.557 1.00 7.74 C ATOM 441 C ALA A 28 56.262 -88.145 -6.062 1.00 9.17 C ATOM 442 O ALA A 28 55.925 -89.064 -6.807 1.00 11.45 O ATOM 443 CB ALA A 28 58.640 -87.344 -6.160 1.00 7.68 C ATOM 0 H ALA A 28 57.454 -85.292 -5.433 1.00 6.61 H new ATOM 0 HA ALA A 28 57.139 -87.013 -7.645 1.00 7.74 H new ATOM 0 HB1 ALA A 28 58.933 -88.316 -6.557 1.00 7.68 H new ATOM 0 HB2 ALA A 28 59.295 -86.574 -6.567 1.00 7.68 H new ATOM 0 HB3 ALA A 28 58.724 -87.355 -5.073 1.00 7.68 H new ATOM 449 N LYS A 29 55.828 -88.037 -4.814 1.00 8.96 N ATOM 450 CA LYS A 29 54.914 -89.027 -4.260 1.00 7.90 C ATOM 451 C LYS A 29 53.578 -88.968 -5.005 1.00 6.92 C ATOM 452 O LYS A 29 52.986 -90.000 -5.310 1.00 6.87 O ATOM 453 CB LYS A 29 54.659 -88.766 -2.775 1.00 10.28 C ATOM 454 CG LYS A 29 55.907 -89.070 -1.944 1.00 14.94 C ATOM 455 CD LYS A 29 55.578 -88.788 -0.478 1.00 19.69 C ATOM 456 CE LYS A 29 56.789 -89.062 0.415 1.00 22.63 C ATOM 457 NZ LYS A 29 57.999 -88.442 -0.196 1.00 24.98 N ATOM 0 H LYS A 29 56.089 -87.287 -4.174 1.00 8.96 H new ATOM 0 HA LYS A 29 55.370 -90.010 -4.375 1.00 7.90 H new ATOM 0 HB2 LYS A 29 54.365 -87.726 -2.630 1.00 10.28 H new ATOM 0 HB3 LYS A 29 53.829 -89.383 -2.431 1.00 10.28 H new ATOM 0 HG2 LYS A 29 56.208 -90.110 -2.074 1.00 14.94 H new ATOM 0 HG3 LYS A 29 56.743 -88.453 -2.272 1.00 14.94 H new ATOM 0 HD2 LYS A 29 55.265 -87.750 -0.364 1.00 19.69 H new ATOM 0 HD3 LYS A 29 54.740 -89.410 -0.163 1.00 19.69 H new ATOM 0 HE2 LYS A 29 56.621 -88.654 1.412 1.00 22.63 H new ATOM 0 HE3 LYS A 29 56.935 -90.136 0.531 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 58.726 -88.307 0.535 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 58.369 -89.065 -0.942 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 57.747 -87.521 -0.608 1.00 24.98 H new ATOM 471 N ILE A 30 53.132 -87.744 -5.338 1.00 4.57 N ATOM 472 CA ILE A 30 51.887 -87.555 -6.090 1.00 5.58 C ATOM 473 C ILE A 30 52.035 -88.153 -7.494 1.00 7.26 C ATOM 474 O ILE A 30 51.106 -88.772 -8.001 1.00 9.46 O ATOM 475 CB ILE A 30 51.517 -86.065 -6.150 1.00 5.36 C ATOM 476 CG1 ILE A 30 51.089 -85.634 -4.733 1.00 2.94 C ATOM 477 CG2 ILE A 30 50.361 -85.851 -7.145 1.00 2.78 C ATOM 478 CD1 ILE A 30 50.608 -84.181 -4.721 1.00 2.00 C ATOM 0 H ILE A 30 53.614 -86.878 -5.098 1.00 4.57 H new ATOM 0 HA ILE A 30 51.075 -88.074 -5.581 1.00 5.58 H new ATOM 0 HB ILE A 30 52.366 -85.470 -6.487 1.00 5.36 H new ATOM 0 HG12 ILE A 30 50.293 -86.287 -4.376 1.00 2.94 H new ATOM 0 HG13 ILE A 30 51.927 -85.749 -4.046 1.00 2.94 H new ATOM 0 HG21 ILE A 30 50.104 -84.792 -7.182 1.00 2.78 H new ATOM 0 HG22 ILE A 30 50.668 -86.185 -8.136 1.00 2.78 H new ATOM 0 HG23 ILE A 30 49.492 -86.424 -6.822 1.00 2.78 H new ATOM 0 HD11 ILE A 30 50.312 -83.904 -3.709 1.00 2.00 H new ATOM 0 HD12 ILE A 30 51.414 -83.528 -5.055 1.00 2.00 H new ATOM 0 HD13 ILE A 30 49.754 -84.075 -5.390 1.00 2.00 H new ATOM 490 N GLN A 31 53.198 -87.975 -8.118 1.00 7.06 N ATOM 491 CA GLN A 31 53.424 -88.519 -9.460 1.00 8.67 C ATOM 492 C GLN A 31 53.267 -90.032 -9.424 1.00 10.90 C ATOM 493 O GLN A 31 52.659 -90.635 -10.309 1.00 9.63 O ATOM 494 CB GLN A 31 54.849 -88.173 -9.909 1.00 9.12 C ATOM 495 CG GLN A 31 55.138 -88.799 -11.279 1.00 10.76 C ATOM 496 CD GLN A 31 56.512 -88.357 -11.773 1.00 13.78 C ATOM 497 OE1 GLN A 31 57.409 -88.101 -10.970 1.00 14.48 O ATOM 498 NE2 GLN A 31 56.736 -88.265 -13.056 1.00 14.76 N ATOM 0 H GLN A 31 53.990 -87.466 -7.725 1.00 7.06 H new ATOM 0 HA GLN A 31 52.702 -88.091 -10.155 1.00 8.67 H new ATOM 0 HB2 GLN A 31 54.969 -87.091 -9.963 1.00 9.12 H new ATOM 0 HB3 GLN A 31 55.568 -88.537 -9.175 1.00 9.12 H new ATOM 0 HG2 GLN A 31 55.100 -89.886 -11.207 1.00 10.76 H new ATOM 0 HG3 GLN A 31 54.371 -88.500 -11.994 1.00 10.76 H new ATOM 0 HE21 GLN A 31 55.992 -88.478 -13.720 1.00 14.76 H new ATOM 0 HE22 GLN A 31 57.655 -87.981 -13.394 1.00 14.76 H new ATOM 507 N ASP A 32 53.846 -90.626 -8.405 1.00 10.93 N ATOM 508 CA ASP A 32 53.795 -92.072 -8.265 1.00 14.01 C ATOM 509 C ASP A 32 52.352 -92.558 -8.142 1.00 14.04 C ATOM 510 O ASP A 32 51.992 -93.604 -8.681 1.00 13.39 O ATOM 511 CB ASP A 32 54.583 -92.502 -7.026 1.00 18.01 C ATOM 512 CG ASP A 32 54.624 -94.023 -6.935 1.00 24.33 C ATOM 513 OD1 ASP A 32 54.061 -94.664 -7.807 1.00 26.29 O ATOM 514 OD2 ASP A 32 55.218 -94.526 -5.995 1.00 25.17 O ATOM 0 H ASP A 32 54.354 -90.140 -7.666 1.00 10.93 H new ATOM 0 HA ASP A 32 54.238 -92.516 -9.156 1.00 14.01 H new ATOM 0 HB2 ASP A 32 55.597 -92.105 -7.074 1.00 18.01 H new ATOM 0 HB3 ASP A 32 54.121 -92.088 -6.130 1.00 18.01 H new ATOM 519 N LYS A 33 51.542 -91.815 -7.390 1.00 14.22 N ATOM 520 CA LYS A 33 50.151 -92.202 -7.152 1.00 14.00 C ATOM 521 C LYS A 33 49.189 -91.824 -8.291 1.00 12.37 C ATOM 522 O LYS A 33 48.257 -92.578 -8.573 1.00 12.17 O ATOM 523 CB LYS A 33 49.635 -91.537 -5.872 1.00 18.62 C ATOM 524 CG LYS A 33 50.514 -91.915 -4.653 1.00 24.00 C ATOM 525 CD LYS A 33 49.623 -92.214 -3.440 1.00 27.61 C ATOM 526 CE LYS A 33 50.487 -92.636 -2.249 1.00 27.64 C ATOM 527 NZ LYS A 33 51.493 -91.575 -1.960 1.00 30.06 N ATOM 0 H LYS A 33 51.822 -90.945 -6.937 1.00 14.22 H new ATOM 0 HA LYS A 33 50.164 -93.289 -7.074 1.00 14.00 H new ATOM 0 HB2 LYS A 33 49.629 -90.454 -5.998 1.00 18.62 H new ATOM 0 HB3 LYS A 33 48.605 -91.842 -5.690 1.00 18.62 H new ATOM 0 HG2 LYS A 33 51.125 -92.786 -4.890 1.00 24.00 H new ATOM 0 HG3 LYS A 33 51.199 -91.099 -4.420 1.00 24.00 H new ATOM 0 HD2 LYS A 33 49.038 -91.331 -3.181 1.00 27.61 H new ATOM 0 HD3 LYS A 33 48.914 -93.005 -3.685 1.00 27.61 H new ATOM 0 HE2 LYS A 33 49.860 -92.805 -1.374 1.00 27.64 H new ATOM 0 HE3 LYS A 33 50.990 -93.578 -2.467 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 52.447 -91.935 -2.166 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 51.301 -90.744 -2.554 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 51.434 -91.305 -0.957 1.00 30.06 H new ATOM 541 N GLU A 34 49.340 -90.629 -8.875 1.00 10.11 N ATOM 542 CA GLU A 34 48.383 -90.151 -9.896 1.00 10.07 C ATOM 543 C GLU A 34 48.920 -90.053 -11.331 1.00 9.32 C ATOM 544 O GLU A 34 48.141 -89.963 -12.280 1.00 11.61 O ATOM 545 CB GLU A 34 47.864 -88.783 -9.431 1.00 14.77 C ATOM 546 CG GLU A 34 47.031 -88.975 -8.156 1.00 18.75 C ATOM 547 CD GLU A 34 45.719 -89.685 -8.478 1.00 22.28 C ATOM 548 OE1 GLU A 34 45.326 -89.666 -9.633 1.00 21.95 O ATOM 549 OE2 GLU A 34 45.123 -90.231 -7.564 1.00 25.19 O ATOM 0 H GLU A 34 50.100 -89.981 -8.667 1.00 10.11 H new ATOM 0 HA GLU A 34 47.598 -90.904 -9.966 1.00 10.07 H new ATOM 0 HB2 GLU A 34 48.699 -88.109 -9.238 1.00 14.77 H new ATOM 0 HB3 GLU A 34 47.258 -88.324 -10.212 1.00 14.77 H new ATOM 0 HG2 GLU A 34 47.597 -89.557 -7.428 1.00 18.75 H new ATOM 0 HG3 GLU A 34 46.825 -88.007 -7.699 1.00 18.75 H new ATOM 556 N GLY A 35 50.236 -90.109 -11.492 1.00 7.22 N ATOM 557 CA GLY A 35 50.835 -90.063 -12.831 1.00 6.29 C ATOM 558 C GLY A 35 50.975 -88.640 -13.382 1.00 6.93 C ATOM 559 O GLY A 35 51.266 -88.445 -14.563 1.00 7.41 O ATOM 0 H GLY A 35 50.906 -90.185 -10.727 1.00 7.22 H new ATOM 0 HA2 GLY A 35 51.819 -90.531 -12.798 1.00 6.29 H new ATOM 0 HA3 GLY A 35 50.224 -90.652 -13.515 1.00 6.29 H new ATOM 563 N ILE A 36 50.765 -87.658 -12.519 1.00 5.86 N ATOM 564 CA ILE A 36 50.866 -86.252 -12.924 1.00 6.07 C ATOM 565 C ILE A 36 52.333 -85.789 -12.823 1.00 6.36 C ATOM 566 O ILE A 36 52.882 -85.770 -11.722 1.00 6.18 O ATOM 567 CB ILE A 36 50.014 -85.393 -11.984 1.00 7.47 C ATOM 568 CG1 ILE A 36 48.580 -85.961 -11.877 1.00 8.52 C ATOM 569 CG2 ILE A 36 49.949 -83.961 -12.534 1.00 7.36 C ATOM 570 CD1 ILE A 36 47.947 -85.515 -10.555 1.00 9.49 C ATOM 0 H ILE A 36 50.525 -87.800 -11.538 1.00 5.86 H new ATOM 0 HA ILE A 36 50.515 -86.147 -13.951 1.00 6.07 H new ATOM 0 HB ILE A 36 50.468 -85.398 -10.993 1.00 7.47 H new ATOM 0 HG12 ILE A 36 47.977 -85.613 -12.716 1.00 8.52 H new ATOM 0 HG13 ILE A 36 48.604 -87.049 -11.931 1.00 8.52 H new ATOM 0 HG21 ILE A 36 49.344 -83.343 -11.870 1.00 7.36 H new ATOM 0 HG22 ILE A 36 50.956 -83.549 -12.596 1.00 7.36 H new ATOM 0 HG23 ILE A 36 49.501 -83.973 -13.527 1.00 7.36 H new ATOM 0 HD11 ILE A 36 46.936 -85.917 -10.482 1.00 9.49 H new ATOM 0 HD12 ILE A 36 48.545 -85.884 -9.722 1.00 9.49 H new ATOM 0 HD13 ILE A 36 47.908 -84.426 -10.519 1.00 9.49 H new ATOM 582 N PRO A 37 52.996 -85.417 -13.909 1.00 8.65 N ATOM 583 CA PRO A 37 54.422 -84.964 -13.828 1.00 9.18 C ATOM 584 C PRO A 37 54.601 -83.738 -12.895 1.00 9.85 C ATOM 585 O PRO A 37 53.816 -82.792 -12.966 1.00 8.51 O ATOM 586 CB PRO A 37 54.807 -84.625 -15.281 1.00 11.42 C ATOM 587 CG PRO A 37 53.782 -85.305 -16.137 1.00 9.27 C ATOM 588 CD PRO A 37 52.502 -85.393 -15.300 1.00 8.33 C ATOM 0 HA PRO A 37 55.061 -85.735 -13.397 1.00 9.18 H new ATOM 0 HB2 PRO A 37 54.804 -83.548 -15.446 1.00 11.42 H new ATOM 0 HB3 PRO A 37 55.811 -84.980 -15.514 1.00 11.42 H new ATOM 0 HG2 PRO A 37 53.608 -84.742 -17.054 1.00 9.27 H new ATOM 0 HG3 PRO A 37 54.121 -86.298 -16.432 1.00 9.27 H new ATOM 0 HD2 PRO A 37 51.847 -84.540 -15.478 1.00 8.33 H new ATOM 0 HD3 PRO A 37 51.929 -86.289 -15.537 1.00 8.33 H new ATOM 596 N PRO A 38 55.607 -83.734 -12.019 1.00 8.71 N ATOM 597 CA PRO A 38 55.855 -82.593 -11.067 1.00 9.08 C ATOM 598 C PRO A 38 55.868 -81.201 -11.722 1.00 9.28 C ATOM 599 O PRO A 38 55.502 -80.223 -11.072 1.00 6.50 O ATOM 600 CB PRO A 38 57.235 -82.900 -10.472 1.00 10.31 C ATOM 601 CG PRO A 38 57.379 -84.379 -10.561 1.00 10.81 C ATOM 602 CD PRO A 38 56.612 -84.809 -11.814 1.00 12.00 C ATOM 0 HA PRO A 38 55.046 -82.536 -10.339 1.00 9.08 H new ATOM 0 HB2 PRO A 38 58.025 -82.394 -11.027 1.00 10.31 H new ATOM 0 HB3 PRO A 38 57.303 -82.559 -9.439 1.00 10.31 H new ATOM 0 HG2 PRO A 38 58.429 -84.664 -10.630 1.00 10.81 H new ATOM 0 HG3 PRO A 38 56.975 -84.863 -9.672 1.00 10.81 H new ATOM 0 HD2 PRO A 38 57.276 -84.902 -12.674 1.00 12.00 H new ATOM 0 HD3 PRO A 38 56.134 -85.779 -11.674 1.00 12.00 H new ATOM 610 N ASP A 39 56.305 -81.085 -12.964 1.00 11.20 N ATOM 611 CA ASP A 39 56.363 -79.769 -13.602 1.00 14.96 C ATOM 612 C ASP A 39 54.975 -79.221 -13.919 1.00 13.99 C ATOM 613 O ASP A 39 54.821 -78.029 -14.186 1.00 13.75 O ATOM 614 CB ASP A 39 57.226 -79.821 -14.867 1.00 24.16 C ATOM 615 CG ASP A 39 58.696 -80.009 -14.496 1.00 31.06 C ATOM 616 OD1 ASP A 39 59.043 -79.726 -13.360 1.00 35.55 O ATOM 617 OD2 ASP A 39 59.454 -80.428 -15.355 1.00 34.22 O ATOM 0 H ASP A 39 56.619 -81.862 -13.545 1.00 11.20 H new ATOM 0 HA ASP A 39 56.824 -79.085 -12.889 1.00 14.96 H new ATOM 0 HB2 ASP A 39 56.897 -80.640 -15.507 1.00 24.16 H new ATOM 0 HB3 ASP A 39 57.102 -78.901 -15.438 1.00 24.16 H new ATOM 622 N GLN A 40 53.963 -80.087 -13.897 1.00 11.60 N ATOM 623 CA GLN A 40 52.592 -79.660 -14.196 1.00 10.76 C ATOM 624 C GLN A 40 51.774 -79.449 -12.923 1.00 8.01 C ATOM 625 O GLN A 40 50.576 -79.172 -12.989 1.00 8.96 O ATOM 626 CB GLN A 40 51.887 -80.700 -15.073 1.00 11.14 C ATOM 627 CG GLN A 40 52.552 -80.752 -16.446 1.00 14.85 C ATOM 628 CD GLN A 40 51.714 -81.599 -17.398 1.00 16.11 C ATOM 629 OE1 GLN A 40 51.849 -81.483 -18.616 1.00 20.52 O ATOM 630 NE2 GLN A 40 50.856 -82.453 -16.912 1.00 18.16 N ATOM 0 H GLN A 40 54.061 -81.078 -13.678 1.00 11.60 H new ATOM 0 HA GLN A 40 52.661 -78.710 -14.727 1.00 10.76 H new ATOM 0 HB2 GLN A 40 51.933 -81.680 -14.599 1.00 11.14 H new ATOM 0 HB3 GLN A 40 50.832 -80.446 -15.179 1.00 11.14 H new ATOM 0 HG2 GLN A 40 52.662 -79.743 -16.844 1.00 14.85 H new ATOM 0 HG3 GLN A 40 53.554 -81.172 -16.358 1.00 14.85 H new ATOM 0 HE21 GLN A 40 50.746 -82.547 -15.902 1.00 18.16 H new ATOM 0 HE22 GLN A 40 50.295 -83.027 -17.542 1.00 18.16 H new ATOM 639 N GLN A 41 52.408 -79.624 -11.768 1.00 6.52 N ATOM 640 CA GLN A 41 51.706 -79.497 -10.485 1.00 3.87 C ATOM 641 C GLN A 41 52.067 -78.233 -9.699 1.00 4.79 C ATOM 642 O GLN A 41 53.235 -77.861 -9.586 1.00 6.34 O ATOM 643 CB GLN A 41 52.059 -80.709 -9.622 1.00 4.20 C ATOM 644 CG GLN A 41 51.412 -81.964 -10.200 1.00 3.20 C ATOM 645 CD GLN A 41 51.640 -83.140 -9.258 1.00 4.89 C ATOM 646 OE1 GLN A 41 51.258 -83.082 -8.089 1.00 5.21 O ATOM 647 NE2 GLN A 41 52.242 -84.210 -9.699 1.00 7.13 N ATOM 0 H GLN A 41 53.399 -79.853 -11.688 1.00 6.52 H new ATOM 0 HA GLN A 41 50.642 -79.436 -10.714 1.00 3.87 H new ATOM 0 HB2 GLN A 41 53.141 -80.834 -9.580 1.00 4.20 H new ATOM 0 HB3 GLN A 41 51.716 -80.551 -8.599 1.00 4.20 H new ATOM 0 HG2 GLN A 41 50.344 -81.801 -10.342 1.00 3.20 H new ATOM 0 HG3 GLN A 41 51.834 -82.184 -11.181 1.00 3.20 H new ATOM 0 HE21 GLN A 41 52.557 -84.255 -10.668 1.00 7.13 H new ATOM 0 HE22 GLN A 41 52.397 -85.002 -9.075 1.00 7.13 H new ATOM 656 N ARG A 42 51.035 -77.626 -9.100 1.00 5.73 N ATOM 657 CA ARG A 42 51.195 -76.446 -8.243 1.00 6.97 C ATOM 658 C ARG A 42 50.525 -76.736 -6.901 1.00 7.15 C ATOM 659 O ARG A 42 49.348 -77.085 -6.861 1.00 7.33 O ATOM 660 CB ARG A 42 50.554 -75.200 -8.859 1.00 13.23 C ATOM 661 CG ARG A 42 51.375 -74.718 -10.049 1.00 21.27 C ATOM 662 CD ARG A 42 50.712 -73.473 -10.643 1.00 26.14 C ATOM 663 NE ARG A 42 51.474 -72.985 -11.788 1.00 32.26 N ATOM 664 CZ ARG A 42 51.142 -71.853 -12.400 1.00 34.32 C ATOM 665 NH1 ARG A 42 51.541 -70.708 -11.917 1.00 35.30 N ATOM 666 NH2 ARG A 42 50.413 -71.886 -13.483 1.00 36.39 N ATOM 0 H ARG A 42 50.069 -77.938 -9.196 1.00 5.73 H new ATOM 0 HA ARG A 42 52.260 -76.248 -8.124 1.00 6.97 H new ATOM 0 HB2 ARG A 42 49.536 -75.426 -9.178 1.00 13.23 H new ATOM 0 HB3 ARG A 42 50.486 -74.410 -8.111 1.00 13.23 H new ATOM 0 HG2 ARG A 42 52.393 -74.488 -9.735 1.00 21.27 H new ATOM 0 HG3 ARG A 42 51.443 -75.503 -10.802 1.00 21.27 H new ATOM 0 HD2 ARG A 42 49.693 -73.708 -10.950 1.00 26.14 H new ATOM 0 HD3 ARG A 42 50.644 -72.693 -9.885 1.00 26.14 H new ATOM 0 HE ARG A 42 52.274 -73.521 -12.124 1.00 32.26 H new ATOM 0 HH11 ARG A 42 52.108 -70.682 -11.069 1.00 35.30 H new ATOM 0 HH12 ARG A 42 51.286 -69.839 -12.387 1.00 35.30 H new ATOM 0 HH21 ARG A 42 50.099 -72.780 -13.859 1.00 36.39 H new ATOM 0 HH22 ARG A 42 50.158 -71.017 -13.953 1.00 36.39 H new ATOM 680 N LEU A 43 51.265 -76.609 -5.802 1.00 4.65 N ATOM 681 CA LEU A 43 50.719 -76.878 -4.464 1.00 3.51 C ATOM 682 C LEU A 43 50.510 -75.579 -3.692 1.00 5.56 C ATOM 683 O LEU A 43 51.398 -74.730 -3.619 1.00 4.19 O ATOM 684 CB LEU A 43 51.685 -77.803 -3.711 1.00 3.74 C ATOM 685 CG LEU A 43 51.696 -79.224 -4.294 1.00 6.32 C ATOM 686 CD1 LEU A 43 52.850 -79.995 -3.649 1.00 9.55 C ATOM 687 CD2 LEU A 43 50.379 -79.951 -3.966 1.00 6.41 C ATOM 0 H LEU A 43 52.244 -76.322 -5.806 1.00 4.65 H new ATOM 0 HA LEU A 43 49.748 -77.363 -4.561 1.00 3.51 H new ATOM 0 HB2 LEU A 43 52.692 -77.387 -3.753 1.00 3.74 H new ATOM 0 HB3 LEU A 43 51.401 -77.845 -2.660 1.00 3.74 H new ATOM 0 HG LEU A 43 51.812 -79.170 -5.376 1.00 6.32 H new ATOM 0 HD11 LEU A 43 52.878 -81.009 -4.048 1.00 9.55 H new ATOM 0 HD12 LEU A 43 53.792 -79.492 -3.869 1.00 9.55 H new ATOM 0 HD13 LEU A 43 52.703 -80.034 -2.570 1.00 9.55 H new ATOM 0 HD21 LEU A 43 50.404 -80.956 -4.387 1.00 6.41 H new ATOM 0 HD22 LEU A 43 50.257 -80.013 -2.885 1.00 6.41 H new ATOM 0 HD23 LEU A 43 49.542 -79.399 -4.394 1.00 6.41 H new ATOM 699 N ILE A 44 49.314 -75.444 -3.117 1.00 4.58 N ATOM 700 CA ILE A 44 48.952 -74.256 -2.340 1.00 5.55 C ATOM 701 C ILE A 44 48.514 -74.653 -0.929 1.00 5.46 C ATOM 702 O ILE A 44 47.772 -75.622 -0.741 1.00 6.04 O ATOM 703 CB ILE A 44 47.793 -73.495 -3.037 1.00 6.80 C ATOM 704 CG1 ILE A 44 48.314 -72.630 -4.219 1.00 10.31 C ATOM 705 CG2 ILE A 44 47.087 -72.560 -2.030 1.00 7.39 C ATOM 706 CD1 ILE A 44 48.309 -73.399 -5.545 1.00 13.90 C ATOM 0 H ILE A 44 48.576 -76.146 -3.175 1.00 4.58 H new ATOM 0 HA ILE A 44 49.828 -73.610 -2.276 1.00 5.55 H new ATOM 0 HB ILE A 44 47.097 -74.243 -3.417 1.00 6.80 H new ATOM 0 HG12 ILE A 44 47.694 -71.739 -4.316 1.00 10.31 H new ATOM 0 HG13 ILE A 44 49.327 -72.292 -4.001 1.00 10.31 H new ATOM 0 HG21 ILE A 44 46.276 -72.032 -2.531 1.00 7.39 H new ATOM 0 HG22 ILE A 44 46.682 -73.150 -1.208 1.00 7.39 H new ATOM 0 HG23 ILE A 44 47.804 -71.838 -1.640 1.00 7.39 H new ATOM 0 HD11 ILE A 44 48.681 -72.754 -6.341 1.00 13.90 H new ATOM 0 HD12 ILE A 44 48.950 -74.276 -5.459 1.00 13.90 H new ATOM 0 HD13 ILE A 44 47.292 -73.714 -5.779 1.00 13.90 H new ATOM 718 N PHE A 45 48.947 -73.857 0.049 1.00 6.75 N ATOM 719 CA PHE A 45 48.572 -74.071 1.445 1.00 4.70 C ATOM 720 C PHE A 45 48.249 -72.728 2.082 1.00 6.34 C ATOM 721 O PHE A 45 49.051 -71.795 2.029 1.00 5.45 O ATOM 722 CB PHE A 45 49.696 -74.762 2.218 1.00 5.51 C ATOM 723 CG PHE A 45 49.307 -74.884 3.674 1.00 5.98 C ATOM 724 CD1 PHE A 45 48.303 -75.782 4.056 1.00 6.86 C ATOM 725 CD2 PHE A 45 49.951 -74.102 4.642 1.00 5.87 C ATOM 726 CE1 PHE A 45 47.943 -75.899 5.405 1.00 6.68 C ATOM 727 CE2 PHE A 45 49.591 -74.218 5.990 1.00 6.64 C ATOM 728 CZ PHE A 45 48.587 -75.117 6.372 1.00 6.84 C ATOM 0 H PHE A 45 49.560 -73.056 -0.102 1.00 6.75 H new ATOM 0 HA PHE A 45 47.697 -74.720 1.480 1.00 4.70 H new ATOM 0 HB2 PHE A 45 49.887 -75.749 1.798 1.00 5.51 H new ATOM 0 HB3 PHE A 45 50.620 -74.192 2.124 1.00 5.51 H new ATOM 0 HD1 PHE A 45 47.806 -76.385 3.310 1.00 6.86 H new ATOM 0 HD2 PHE A 45 50.726 -73.409 4.348 1.00 5.87 H new ATOM 0 HE1 PHE A 45 47.169 -76.592 5.699 1.00 6.68 H new ATOM 0 HE2 PHE A 45 50.087 -73.614 6.735 1.00 6.64 H new ATOM 0 HZ PHE A 45 48.310 -75.207 7.412 1.00 6.84 H new ATOM 738 N ALA A 46 47.073 -72.636 2.682 1.00 6.53 N ATOM 739 CA ALA A 46 46.642 -71.407 3.330 1.00 7.15 C ATOM 740 C ALA A 46 46.824 -70.193 2.418 1.00 9.00 C ATOM 741 O ALA A 46 47.168 -69.104 2.877 1.00 11.15 O ATOM 742 CB ALA A 46 47.402 -71.223 4.646 1.00 8.99 C ATOM 0 H ALA A 46 46.398 -73.399 2.734 1.00 6.53 H new ATOM 0 HA ALA A 46 45.576 -71.488 3.543 1.00 7.15 H new ATOM 0 HB1 ALA A 46 47.076 -70.301 5.128 1.00 8.99 H new ATOM 0 HB2 ALA A 46 47.200 -72.068 5.304 1.00 8.99 H new ATOM 0 HB3 ALA A 46 48.472 -71.168 4.444 1.00 8.99 H new ATOM 748 N GLY A 47 46.528 -70.379 1.129 1.00 9.35 N ATOM 749 CA GLY A 47 46.595 -69.277 0.168 1.00 11.68 C ATOM 750 C GLY A 47 47.995 -68.995 -0.387 1.00 11.14 C ATOM 751 O GLY A 47 48.152 -68.072 -1.186 1.00 13.93 O ATOM 0 H GLY A 47 46.242 -71.273 0.730 1.00 9.35 H new ATOM 0 HA2 GLY A 47 45.927 -69.498 -0.664 1.00 11.68 H new ATOM 0 HA3 GLY A 47 46.220 -68.372 0.647 1.00 11.68 H new ATOM 755 N LYS A 48 49.019 -69.750 0.032 1.00 10.47 N ATOM 756 CA LYS A 48 50.390 -69.502 -0.454 1.00 8.82 C ATOM 757 C LYS A 48 50.898 -70.651 -1.329 1.00 7.68 C ATOM 758 O LYS A 48 50.706 -71.821 -1.001 1.00 6.47 O ATOM 759 CB LYS A 48 51.342 -69.366 0.734 1.00 9.74 C ATOM 760 CG LYS A 48 50.844 -68.276 1.689 1.00 14.14 C ATOM 761 CD LYS A 48 51.804 -68.146 2.879 1.00 16.32 C ATOM 762 CE LYS A 48 51.651 -69.344 3.824 1.00 20.04 C ATOM 763 NZ LYS A 48 52.249 -69.007 5.148 1.00 23.92 N ATOM 0 H LYS A 48 48.932 -70.523 0.692 1.00 10.47 H new ATOM 0 HA LYS A 48 50.362 -68.586 -1.045 1.00 8.82 H new ATOM 0 HB2 LYS A 48 51.415 -70.317 1.262 1.00 9.74 H new ATOM 0 HB3 LYS A 48 52.343 -69.120 0.381 1.00 9.74 H new ATOM 0 HG2 LYS A 48 50.772 -67.324 1.163 1.00 14.14 H new ATOM 0 HG3 LYS A 48 49.843 -68.520 2.043 1.00 14.14 H new ATOM 0 HD2 LYS A 48 52.832 -68.087 2.520 1.00 16.32 H new ATOM 0 HD3 LYS A 48 51.601 -67.221 3.419 1.00 16.32 H new ATOM 0 HE2 LYS A 48 50.597 -69.597 3.942 1.00 20.04 H new ATOM 0 HE3 LYS A 48 52.144 -70.220 3.402 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 52.147 -69.818 5.791 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 53.258 -68.786 5.027 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 51.760 -68.182 5.550 1.00 23.92 H new ATOM 777 N GLN A 49 51.590 -70.308 -2.420 1.00 8.89 N ATOM 778 CA GLN A 49 52.161 -71.332 -3.297 1.00 7.18 C ATOM 779 C GLN A 49 53.442 -71.852 -2.652 1.00 8.23 C ATOM 780 O GLN A 49 54.303 -71.069 -2.251 1.00 9.70 O ATOM 781 CB GLN A 49 52.471 -70.752 -4.678 1.00 11.67 C ATOM 782 CG GLN A 49 51.166 -70.451 -5.417 1.00 15.82 C ATOM 783 CD GLN A 49 51.451 -69.658 -6.690 1.00 20.21 C ATOM 784 OE1 GLN A 49 50.559 -69.474 -7.518 1.00 23.23 O ATOM 785 NE2 GLN A 49 52.648 -69.182 -6.902 1.00 20.67 N ATOM 0 H GLN A 49 51.766 -69.347 -2.713 1.00 8.89 H new ATOM 0 HA GLN A 49 51.444 -72.143 -3.428 1.00 7.18 H new ATOM 0 HB2 GLN A 49 53.061 -69.841 -4.576 1.00 11.67 H new ATOM 0 HB3 GLN A 49 53.071 -71.457 -5.253 1.00 11.67 H new ATOM 0 HG2 GLN A 49 50.658 -71.382 -5.666 1.00 15.82 H new ATOM 0 HG3 GLN A 49 50.495 -69.885 -4.770 1.00 15.82 H new ATOM 0 HE21 GLN A 49 53.387 -69.335 -6.215 1.00 20.67 H new ATOM 0 HE22 GLN A 49 52.845 -68.657 -7.754 1.00 20.67 H new ATOM 794 N LEU A 50 53.564 -73.170 -2.546 1.00 6.51 N ATOM 795 CA LEU A 50 54.748 -73.773 -1.939 1.00 7.41 C ATOM 796 C LEU A 50 55.857 -73.978 -2.974 1.00 8.27 C ATOM 797 O LEU A 50 55.599 -74.403 -4.099 1.00 8.34 O ATOM 798 CB LEU A 50 54.377 -75.119 -1.317 1.00 7.13 C ATOM 799 CG LEU A 50 53.170 -74.949 -0.389 1.00 7.53 C ATOM 800 CD1 LEU A 50 52.755 -76.318 0.160 1.00 8.14 C ATOM 801 CD2 LEU A 50 53.529 -74.009 0.773 1.00 9.11 C ATOM 0 H LEU A 50 52.865 -73.838 -2.869 1.00 6.51 H new ATOM 0 HA LEU A 50 55.118 -73.096 -1.169 1.00 7.41 H new ATOM 0 HB2 LEU A 50 54.146 -75.840 -2.101 1.00 7.13 H new ATOM 0 HB3 LEU A 50 55.224 -75.517 -0.758 1.00 7.13 H new ATOM 0 HG LEU A 50 52.342 -74.516 -0.950 1.00 7.53 H new ATOM 0 HD11 LEU A 50 51.896 -76.200 0.821 1.00 8.14 H new ATOM 0 HD12 LEU A 50 52.489 -76.976 -0.667 1.00 8.14 H new ATOM 0 HD13 LEU A 50 53.584 -76.753 0.717 1.00 8.14 H new ATOM 0 HD21 LEU A 50 52.665 -73.894 1.428 1.00 9.11 H new ATOM 0 HD22 LEU A 50 54.360 -74.431 1.339 1.00 9.11 H new ATOM 0 HD23 LEU A 50 53.817 -73.035 0.377 1.00 9.11 H new ATOM 813 N GLU A 51 57.094 -73.652 -2.584 1.00 9.43 N ATOM 814 CA GLU A 51 58.241 -73.784 -3.498 1.00 11.90 C ATOM 815 C GLU A 51 58.889 -75.167 -3.390 1.00 11.49 C ATOM 816 O GLU A 51 58.833 -75.816 -2.345 1.00 9.88 O ATOM 817 CB GLU A 51 59.265 -72.688 -3.204 1.00 16.56 C ATOM 818 CG GLU A 51 58.716 -71.337 -3.669 1.00 26.06 C ATOM 819 CD GLU A 51 59.718 -70.232 -3.353 1.00 29.86 C ATOM 820 OE1 GLU A 51 60.613 -70.481 -2.562 1.00 32.13 O ATOM 821 OE2 GLU A 51 59.576 -69.155 -3.907 1.00 33.44 O ATOM 0 H GLU A 51 57.328 -73.299 -1.656 1.00 9.43 H new ATOM 0 HA GLU A 51 57.878 -73.672 -4.520 1.00 11.90 H new ATOM 0 HB2 GLU A 51 59.483 -72.656 -2.136 1.00 16.56 H new ATOM 0 HB3 GLU A 51 60.203 -72.906 -3.714 1.00 16.56 H new ATOM 0 HG2 GLU A 51 58.518 -71.365 -4.741 1.00 26.06 H new ATOM 0 HG3 GLU A 51 57.767 -71.131 -3.175 1.00 26.06 H new ATOM 828 N ASP A 52 59.458 -75.626 -4.517 1.00 12.71 N ATOM 829 CA ASP A 52 60.062 -76.958 -4.594 1.00 16.56 C ATOM 830 C ASP A 52 61.357 -77.099 -3.779 1.00 15.83 C ATOM 831 O ASP A 52 61.761 -78.218 -3.463 1.00 17.21 O ATOM 832 CB ASP A 52 60.335 -77.309 -6.058 1.00 21.05 C ATOM 833 CG ASP A 52 59.016 -77.504 -6.791 1.00 25.12 C ATOM 834 OD1 ASP A 52 57.987 -77.361 -6.156 1.00 28.37 O ATOM 835 OD2 ASP A 52 59.056 -77.794 -7.975 1.00 25.82 O ATOM 0 H ASP A 52 59.510 -75.092 -5.384 1.00 12.71 H new ATOM 0 HA ASP A 52 59.345 -77.651 -4.154 1.00 16.56 H new ATOM 0 HB2 ASP A 52 60.912 -76.514 -6.531 1.00 21.05 H new ATOM 0 HB3 ASP A 52 60.934 -78.217 -6.119 1.00 21.05 H new ATOM 840 N GLY A 53 62.014 -75.993 -3.445 1.00 15.00 N ATOM 841 CA GLY A 53 63.269 -76.059 -2.673 1.00 11.77 C ATOM 842 C GLY A 53 63.041 -75.882 -1.166 1.00 11.10 C ATOM 843 O GLY A 53 64.001 -75.799 -0.400 1.00 11.25 O ATOM 0 H GLY A 53 61.712 -75.050 -3.688 1.00 15.00 H new ATOM 0 HA2 GLY A 53 63.753 -77.019 -2.854 1.00 11.77 H new ATOM 0 HA3 GLY A 53 63.951 -75.286 -3.027 1.00 11.77 H new ATOM 847 N ARG A 54 61.783 -75.821 -0.746 1.00 8.53 N ATOM 848 CA ARG A 54 61.459 -75.647 0.684 1.00 9.05 C ATOM 849 C ARG A 54 60.794 -76.903 1.272 1.00 8.96 C ATOM 850 O ARG A 54 60.342 -77.778 0.531 1.00 11.60 O ATOM 851 CB ARG A 54 60.541 -74.432 0.814 1.00 7.97 C ATOM 852 CG ARG A 54 61.332 -73.138 0.471 1.00 9.62 C ATOM 853 CD ARG A 54 61.530 -72.281 1.719 1.00 12.20 C ATOM 854 NE ARG A 54 62.308 -71.085 1.391 1.00 18.23 N ATOM 855 CZ ARG A 54 63.249 -70.618 2.211 1.00 22.08 C ATOM 856 NH1 ARG A 54 63.933 -71.441 2.959 1.00 25.50 N ATOM 857 NH2 ARG A 54 63.489 -69.336 2.263 1.00 23.38 N ATOM 0 H ARG A 54 60.971 -75.888 -1.360 1.00 8.53 H new ATOM 0 HA ARG A 54 62.377 -75.490 1.250 1.00 9.05 H new ATOM 0 HB2 ARG A 54 59.687 -74.536 0.144 1.00 7.97 H new ATOM 0 HB3 ARG A 54 60.145 -74.370 1.828 1.00 7.97 H new ATOM 0 HG2 ARG A 54 62.301 -73.400 0.046 1.00 9.62 H new ATOM 0 HG3 ARG A 54 60.795 -72.567 -0.287 1.00 9.62 H new ATOM 0 HD2 ARG A 54 60.562 -71.993 2.129 1.00 12.20 H new ATOM 0 HD3 ARG A 54 62.043 -72.858 2.488 1.00 12.20 H new ATOM 0 HE ARG A 54 62.125 -70.597 0.514 1.00 18.23 H new ATOM 0 HH11 ARG A 54 63.747 -72.443 2.916 1.00 25.50 H new ATOM 0 HH12 ARG A 54 64.653 -71.082 3.586 1.00 25.50 H new ATOM 0 HH21 ARG A 54 62.957 -68.693 1.677 1.00 23.38 H new ATOM 0 HH22 ARG A 54 64.209 -68.977 2.890 1.00 23.38 H new ATOM 871 N THR A 55 60.755 -76.996 2.619 1.00 9.05 N ATOM 872 CA THR A 55 60.155 -78.163 3.300 1.00 9.03 C ATOM 873 C THR A 55 58.795 -77.846 3.913 1.00 8.15 C ATOM 874 O THR A 55 58.413 -76.691 4.068 1.00 5.91 O ATOM 875 CB THR A 55 61.042 -78.670 4.444 1.00 11.15 C ATOM 876 OG1 THR A 55 61.110 -77.685 5.465 1.00 11.95 O ATOM 877 CG2 THR A 55 62.449 -78.967 3.924 1.00 11.71 C ATOM 0 H THR A 55 61.127 -76.286 3.250 1.00 9.05 H new ATOM 0 HA THR A 55 60.050 -78.918 2.521 1.00 9.03 H new ATOM 0 HB THR A 55 60.612 -79.586 4.849 1.00 11.15 H new ATOM 0 HG1 THR A 55 61.676 -78.010 6.196 1.00 11.95 H new ATOM 0 HG21 THR A 55 63.071 -79.326 4.743 1.00 11.71 H new ATOM 0 HG22 THR A 55 62.396 -79.730 3.147 1.00 11.71 H new ATOM 0 HG23 THR A 55 62.884 -78.057 3.510 1.00 11.71 H new ATOM 885 N LEU A 56 58.088 -78.918 4.286 1.00 6.91 N ATOM 886 CA LEU A 56 56.773 -78.783 4.921 1.00 8.29 C ATOM 887 C LEU A 56 56.881 -77.991 6.222 1.00 8.05 C ATOM 888 O LEU A 56 56.024 -77.154 6.508 1.00 10.17 O ATOM 889 CB LEU A 56 56.174 -80.161 5.240 1.00 6.60 C ATOM 890 CG LEU A 56 55.986 -80.983 3.959 1.00 7.73 C ATOM 891 CD1 LEU A 56 55.607 -82.415 4.341 1.00 9.85 C ATOM 892 CD2 LEU A 56 54.865 -80.389 3.097 1.00 8.64 C ATOM 0 H LEU A 56 58.401 -79.881 4.161 1.00 6.91 H new ATOM 0 HA LEU A 56 56.126 -78.256 4.219 1.00 8.29 H new ATOM 0 HB2 LEU A 56 56.828 -80.696 5.928 1.00 6.60 H new ATOM 0 HB3 LEU A 56 55.215 -80.038 5.743 1.00 6.60 H new ATOM 0 HG LEU A 56 56.916 -80.969 3.391 1.00 7.73 H new ATOM 0 HD11 LEU A 56 55.471 -83.009 3.437 1.00 9.85 H new ATOM 0 HD12 LEU A 56 56.401 -82.852 4.946 1.00 9.85 H new ATOM 0 HD13 LEU A 56 54.679 -82.406 4.912 1.00 9.85 H new ATOM 0 HD21 LEU A 56 54.746 -80.986 2.193 1.00 8.64 H new ATOM 0 HD22 LEU A 56 53.932 -80.394 3.660 1.00 8.64 H new ATOM 0 HD23 LEU A 56 55.119 -79.365 2.825 1.00 8.64 H new ATOM 904 N SER A 57 57.918 -78.259 7.026 1.00 8.92 N ATOM 905 CA SER A 57 58.062 -77.549 8.294 1.00 9.00 C ATOM 906 C SER A 57 58.221 -76.045 8.088 1.00 9.44 C ATOM 907 O SER A 57 57.801 -75.252 8.930 1.00 10.91 O ATOM 908 CB SER A 57 59.234 -78.094 9.112 1.00 10.32 C ATOM 909 OG SER A 57 59.446 -77.256 10.240 1.00 13.59 O ATOM 0 H SER A 57 58.648 -78.943 6.826 1.00 8.92 H new ATOM 0 HA SER A 57 57.142 -77.719 8.853 1.00 9.00 H new ATOM 0 HB2 SER A 57 59.024 -79.114 9.436 1.00 10.32 H new ATOM 0 HB3 SER A 57 60.134 -78.133 8.499 1.00 10.32 H new ATOM 0 HG SER A 57 60.195 -77.602 10.768 1.00 13.59 H new ATOM 915 N ASP A 58 58.822 -75.655 6.978 1.00 9.11 N ATOM 916 CA ASP A 58 59.019 -74.237 6.698 1.00 7.91 C ATOM 917 C ASP A 58 57.674 -73.520 6.584 1.00 9.12 C ATOM 918 O ASP A 58 57.575 -72.329 6.876 1.00 8.61 O ATOM 919 CB ASP A 58 59.810 -74.060 5.399 1.00 8.41 C ATOM 920 CG ASP A 58 61.254 -74.508 5.599 1.00 11.50 C ATOM 921 OD1 ASP A 58 61.712 -74.477 6.729 1.00 10.05 O ATOM 922 OD2 ASP A 58 61.879 -74.879 4.619 1.00 11.70 O ATOM 0 H ASP A 58 59.179 -76.288 6.262 1.00 9.11 H new ATOM 0 HA ASP A 58 59.581 -73.800 7.523 1.00 7.91 H new ATOM 0 HB2 ASP A 58 59.348 -74.641 4.601 1.00 8.41 H new ATOM 0 HB3 ASP A 58 59.785 -73.016 5.088 1.00 8.41 H new ATOM 927 N TYR A 59 56.636 -74.250 6.156 1.00 7.97 N ATOM 928 CA TYR A 59 55.298 -73.660 6.009 1.00 8.45 C ATOM 929 C TYR A 59 54.405 -73.981 7.208 1.00 10.98 C ATOM 930 O TYR A 59 53.189 -73.799 7.149 1.00 12.95 O ATOM 931 CB TYR A 59 54.603 -74.164 4.744 1.00 7.94 C ATOM 932 CG TYR A 59 55.333 -73.662 3.526 1.00 6.91 C ATOM 933 CD1 TYR A 59 55.004 -72.424 2.962 1.00 6.98 C ATOM 934 CD2 TYR A 59 56.347 -74.439 2.962 1.00 4.59 C ATOM 935 CE1 TYR A 59 55.691 -71.967 1.831 1.00 6.52 C ATOM 936 CE2 TYR A 59 57.032 -73.986 1.835 1.00 5.39 C ATOM 937 CZ TYR A 59 56.707 -72.749 1.266 1.00 6.76 C ATOM 938 OH TYR A 59 57.384 -72.301 0.149 1.00 7.63 O ATOM 0 H TYR A 59 56.694 -75.238 5.908 1.00 7.97 H new ATOM 0 HA TYR A 59 55.445 -72.582 5.944 1.00 8.45 H new ATOM 0 HB2 TYR A 59 54.579 -75.254 4.741 1.00 7.94 H new ATOM 0 HB3 TYR A 59 53.568 -73.822 4.726 1.00 7.94 H new ATOM 0 HD1 TYR A 59 54.221 -71.822 3.399 1.00 6.98 H new ATOM 0 HD2 TYR A 59 56.601 -75.393 3.400 1.00 4.59 H new ATOM 0 HE1 TYR A 59 55.438 -71.012 1.394 1.00 6.52 H new ATOM 0 HE2 TYR A 59 57.814 -74.590 1.400 1.00 5.39 H new ATOM 0 HH TYR A 59 58.199 -72.831 0.026 1.00 7.63 H new ATOM 948 N ASN A 60 55.014 -74.452 8.302 1.00 12.38 N ATOM 949 CA ASN A 60 54.294 -74.794 9.528 1.00 13.94 C ATOM 950 C ASN A 60 53.093 -75.698 9.258 1.00 14.16 C ATOM 951 O ASN A 60 52.047 -75.555 9.890 1.00 14.26 O ATOM 952 CB ASN A 60 53.835 -73.529 10.253 1.00 19.23 C ATOM 953 CG ASN A 60 55.040 -72.671 10.621 1.00 22.65 C ATOM 954 OD1 ASN A 60 55.057 -71.472 10.342 1.00 25.45 O ATOM 955 ND2 ASN A 60 56.053 -73.215 11.237 1.00 24.09 N ATOM 0 H ASN A 60 56.021 -74.606 8.360 1.00 12.38 H new ATOM 0 HA ASN A 60 54.990 -75.344 10.161 1.00 13.94 H new ATOM 0 HB2 ASN A 60 53.155 -72.962 9.617 1.00 19.23 H new ATOM 0 HB3 ASN A 60 53.281 -73.797 11.153 1.00 19.23 H new ATOM 0 HD21 ASN A 60 56.862 -72.647 11.489 1.00 24.09 H new ATOM 0 HD22 ASN A 60 56.036 -74.209 11.467 1.00 24.09 H new ATOM 962 N ILE A 61 53.257 -76.647 8.344 1.00 11.08 N ATOM 963 CA ILE A 61 52.180 -77.588 8.038 1.00 11.78 C ATOM 964 C ILE A 61 52.195 -78.688 9.098 1.00 13.74 C ATOM 965 O ILE A 61 53.226 -79.318 9.335 1.00 14.60 O ATOM 966 CB ILE A 61 52.373 -78.131 6.612 1.00 11.80 C ATOM 967 CG1 ILE A 61 52.208 -76.967 5.632 1.00 11.56 C ATOM 968 CG2 ILE A 61 51.324 -79.201 6.290 1.00 13.29 C ATOM 969 CD1 ILE A 61 52.616 -77.390 4.218 1.00 11.42 C ATOM 0 H ILE A 61 54.113 -76.787 7.807 1.00 11.08 H new ATOM 0 HA ILE A 61 51.203 -77.106 8.065 1.00 11.78 H new ATOM 0 HB ILE A 61 53.363 -78.579 6.529 1.00 11.80 H new ATOM 0 HG12 ILE A 61 51.172 -76.629 5.631 1.00 11.56 H new ATOM 0 HG13 ILE A 61 52.818 -76.123 5.955 1.00 11.56 H new ATOM 0 HG21 ILE A 61 51.480 -79.570 5.276 1.00 13.29 H new ATOM 0 HG22 ILE A 61 51.418 -80.027 6.996 1.00 13.29 H new ATOM 0 HG23 ILE A 61 50.327 -78.768 6.369 1.00 13.29 H new ATOM 0 HD11 ILE A 61 52.491 -76.549 3.536 1.00 11.42 H new ATOM 0 HD12 ILE A 61 53.660 -77.705 4.219 1.00 11.42 H new ATOM 0 HD13 ILE A 61 51.988 -78.218 3.890 1.00 11.42 H new ATOM 981 N GLN A 62 51.052 -78.881 9.775 1.00 13.97 N ATOM 982 CA GLN A 62 50.938 -79.867 10.859 1.00 15.52 C ATOM 983 C GLN A 62 50.124 -81.092 10.440 1.00 13.94 C ATOM 984 O GLN A 62 49.500 -81.113 9.378 1.00 12.15 O ATOM 985 CB GLN A 62 50.269 -79.198 12.062 1.00 19.53 C ATOM 986 CG GLN A 62 51.170 -78.086 12.606 1.00 26.38 C ATOM 987 CD GLN A 62 52.445 -78.681 13.195 1.00 30.61 C ATOM 988 OE1 GLN A 62 52.383 -79.538 14.077 1.00 33.23 O ATOM 989 NE2 GLN A 62 53.605 -78.271 12.760 1.00 32.71 N ATOM 0 H GLN A 62 50.192 -78.365 9.589 1.00 13.97 H new ATOM 0 HA GLN A 62 51.940 -80.212 11.112 1.00 15.52 H new ATOM 0 HB2 GLN A 62 49.303 -78.786 11.770 1.00 19.53 H new ATOM 0 HB3 GLN A 62 50.078 -79.937 12.840 1.00 19.53 H new ATOM 0 HG2 GLN A 62 51.421 -77.388 11.807 1.00 26.38 H new ATOM 0 HG3 GLN A 62 50.638 -77.518 13.370 1.00 26.38 H new ATOM 0 HE21 GLN A 62 53.654 -77.561 12.029 1.00 32.71 H new ATOM 0 HE22 GLN A 62 54.463 -78.661 13.151 1.00 32.71 H new ATOM 998 N LYS A 63 50.170 -82.122 11.287 1.00 11.73 N ATOM 999 CA LYS A 63 49.454 -83.356 10.970 1.00 11.97 C ATOM 1000 C LYS A 63 47.995 -83.080 10.611 1.00 10.41 C ATOM 1001 O LYS A 63 47.346 -82.211 11.192 1.00 9.59 O ATOM 1002 CB LYS A 63 49.492 -84.376 12.112 1.00 13.73 C ATOM 1003 CG LYS A 63 48.854 -83.771 13.365 1.00 16.98 C ATOM 1004 CD LYS A 63 49.030 -84.735 14.541 1.00 20.19 C ATOM 1005 CE LYS A 63 48.221 -84.237 15.740 1.00 23.42 C ATOM 1006 NZ LYS A 63 48.314 -85.227 16.850 1.00 25.97 N ATOM 0 H LYS A 63 50.679 -82.128 12.171 1.00 11.73 H new ATOM 0 HA LYS A 63 49.974 -83.780 10.111 1.00 11.97 H new ATOM 0 HB2 LYS A 63 48.959 -85.281 11.822 1.00 13.73 H new ATOM 0 HB3 LYS A 63 50.522 -84.665 12.320 1.00 13.73 H new ATOM 0 HG2 LYS A 63 49.317 -82.811 13.595 1.00 16.98 H new ATOM 0 HG3 LYS A 63 47.795 -83.581 13.192 1.00 16.98 H new ATOM 0 HD2 LYS A 63 48.700 -85.734 14.257 1.00 20.19 H new ATOM 0 HD3 LYS A 63 50.084 -84.811 14.807 1.00 20.19 H new ATOM 0 HE2 LYS A 63 48.598 -83.269 16.070 1.00 23.42 H new ATOM 0 HE3 LYS A 63 47.179 -84.092 15.454 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 47.764 -84.888 17.665 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 47.934 -86.142 16.532 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 49.309 -85.344 17.129 1.00 25.97 H new ATOM 1020 N GLU A 64 47.510 -83.826 9.624 1.00 10.04 N ATOM 1021 CA GLU A 64 46.142 -83.694 9.123 1.00 10.94 C ATOM 1022 C GLU A 64 45.896 -82.363 8.424 1.00 9.74 C ATOM 1023 O GLU A 64 44.747 -81.950 8.267 1.00 9.42 O ATOM 1024 CB GLU A 64 45.062 -83.890 10.188 1.00 18.31 C ATOM 1025 CG GLU A 64 45.120 -85.326 10.713 1.00 24.16 C ATOM 1026 CD GLU A 64 43.900 -85.603 11.585 1.00 29.00 C ATOM 1027 OE1 GLU A 64 43.189 -84.659 11.892 1.00 31.72 O ATOM 1028 OE2 GLU A 64 43.696 -86.753 11.936 1.00 32.61 O ATOM 0 H GLU A 64 48.055 -84.543 9.145 1.00 10.04 H new ATOM 0 HA GLU A 64 46.058 -84.508 8.403 1.00 10.94 H new ATOM 0 HB2 GLU A 64 45.211 -83.186 11.006 1.00 18.31 H new ATOM 0 HB3 GLU A 64 44.078 -83.685 9.766 1.00 18.31 H new ATOM 0 HG2 GLU A 64 45.150 -86.027 9.879 1.00 24.16 H new ATOM 0 HG3 GLU A 64 46.033 -85.476 11.289 1.00 24.16 H new ATOM 1035 N SER A 65 46.950 -81.729 7.935 1.00 6.85 N ATOM 1036 CA SER A 65 46.805 -80.496 7.175 1.00 6.90 C ATOM 1037 C SER A 65 46.336 -80.860 5.773 1.00 4.72 C ATOM 1038 O SER A 65 46.665 -81.929 5.259 1.00 3.91 O ATOM 1039 CB SER A 65 48.134 -79.753 7.110 1.00 7.28 C ATOM 1040 OG SER A 65 48.432 -79.195 8.384 1.00 10.56 O ATOM 0 H SER A 65 47.913 -82.046 8.050 1.00 6.85 H new ATOM 0 HA SER A 65 46.079 -79.841 7.658 1.00 6.90 H new ATOM 0 HB2 SER A 65 48.928 -80.434 6.805 1.00 7.28 H new ATOM 0 HB3 SER A 65 48.085 -78.965 6.359 1.00 7.28 H new ATOM 0 HG SER A 65 48.674 -79.912 9.007 1.00 10.56 H new ATOM 1046 N THR A 66 45.567 -79.963 5.147 1.00 4.48 N ATOM 1047 CA THR A 66 45.060 -80.200 3.793 1.00 3.80 C ATOM 1048 C THR A 66 45.747 -79.250 2.811 1.00 4.60 C ATOM 1049 O THR A 66 45.728 -78.031 2.981 1.00 5.33 O ATOM 1050 CB THR A 66 43.548 -79.971 3.741 1.00 2.85 C ATOM 1051 OG1 THR A 66 42.906 -80.864 4.640 1.00 2.15 O ATOM 1052 CG2 THR A 66 43.041 -80.231 2.321 1.00 3.40 C ATOM 0 H THR A 66 45.284 -79.072 5.554 1.00 4.48 H new ATOM 0 HA THR A 66 45.274 -81.233 3.518 1.00 3.80 H new ATOM 0 HB THR A 66 43.326 -78.942 4.024 1.00 2.85 H new ATOM 0 HG1 THR A 66 41.937 -80.718 4.610 1.00 2.15 H new ATOM 0 HG21 THR A 66 41.964 -80.068 2.284 1.00 3.40 H new ATOM 0 HG22 THR A 66 43.535 -79.550 1.628 1.00 3.40 H new ATOM 0 HG23 THR A 66 43.262 -81.260 2.038 1.00 3.40 H new ATOM 1060 N LEU A 67 46.315 -79.836 1.761 1.00 4.17 N ATOM 1061 CA LEU A 67 46.978 -79.085 0.697 1.00 3.85 C ATOM 1062 C LEU A 67 46.059 -79.086 -0.518 1.00 3.80 C ATOM 1063 O LEU A 67 45.204 -79.955 -0.668 1.00 5.54 O ATOM 1064 CB LEU A 67 48.316 -79.765 0.339 1.00 7.18 C ATOM 1065 CG LEU A 67 49.455 -79.188 1.177 1.00 9.67 C ATOM 1066 CD1 LEU A 67 49.146 -79.336 2.668 1.00 8.12 C ATOM 1067 CD2 LEU A 67 50.756 -79.925 0.845 1.00 11.66 C ATOM 0 H LEU A 67 46.329 -80.846 1.623 1.00 4.17 H new ATOM 0 HA LEU A 67 47.181 -78.064 1.019 1.00 3.85 H new ATOM 0 HB2 LEU A 67 48.241 -80.839 0.509 1.00 7.18 H new ATOM 0 HB3 LEU A 67 48.530 -79.624 -0.721 1.00 7.18 H new ATOM 0 HG LEU A 67 49.564 -78.129 0.945 1.00 9.67 H new ATOM 0 HD11 LEU A 67 49.967 -78.920 3.253 1.00 8.12 H new ATOM 0 HD12 LEU A 67 48.226 -78.802 2.904 1.00 8.12 H new ATOM 0 HD13 LEU A 67 49.025 -80.392 2.912 1.00 8.12 H new ATOM 0 HD21 LEU A 67 51.570 -79.514 1.443 1.00 11.66 H new ATOM 0 HD22 LEU A 67 50.641 -80.985 1.069 1.00 11.66 H new ATOM 0 HD23 LEU A 67 50.985 -79.801 -0.213 1.00 11.66 H new ATOM 1079 N HIS A 68 46.254 -78.099 -1.392 1.00 2.94 N ATOM 1080 CA HIS A 68 45.460 -77.984 -2.613 1.00 4.17 C ATOM 1081 C HIS A 68 46.374 -78.155 -3.819 1.00 5.32 C ATOM 1082 O HIS A 68 47.441 -77.543 -3.892 1.00 7.70 O ATOM 1083 CB HIS A 68 44.778 -76.617 -2.674 1.00 5.57 C ATOM 1084 CG HIS A 68 43.714 -76.536 -1.616 1.00 9.95 C ATOM 1085 ND1 HIS A 68 43.980 -76.071 -0.338 1.00 13.74 N ATOM 1086 CD2 HIS A 68 42.380 -76.858 -1.628 1.00 12.79 C ATOM 1087 CE1 HIS A 68 42.832 -76.124 0.360 1.00 14.75 C ATOM 1088 NE2 HIS A 68 41.824 -76.596 -0.379 1.00 16.30 N ATOM 0 H HIS A 68 46.956 -77.368 -1.276 1.00 2.94 H new ATOM 0 HA HIS A 68 44.692 -78.758 -2.617 1.00 4.17 H new ATOM 0 HB2 HIS A 68 45.513 -75.826 -2.526 1.00 5.57 H new ATOM 0 HB3 HIS A 68 44.338 -76.463 -3.659 1.00 5.57 H new ATOM 0 HD2 HIS A 68 41.843 -77.254 -2.477 1.00 12.79 H new ATOM 0 HE1 HIS A 68 42.736 -75.822 1.392 1.00 14.75 H new ATOM 0 HE2 HIS A 68 40.856 -76.735 -0.090 1.00 16.30 H new ATOM 1096 N LEU A 69 45.955 -78.995 -4.765 1.00 5.29 N ATOM 1097 CA LEU A 69 46.741 -79.253 -5.972 1.00 3.97 C ATOM 1098 C LEU A 69 46.088 -78.572 -7.168 1.00 5.07 C ATOM 1099 O LEU A 69 44.881 -78.688 -7.378 1.00 4.34 O ATOM 1100 CB LEU A 69 46.817 -80.766 -6.232 1.00 6.08 C ATOM 1101 CG LEU A 69 47.498 -81.079 -7.566 1.00 7.37 C ATOM 1102 CD1 LEU A 69 48.902 -80.476 -7.604 1.00 6.87 C ATOM 1103 CD2 LEU A 69 47.598 -82.600 -7.721 1.00 9.96 C ATOM 0 H LEU A 69 45.075 -79.509 -4.719 1.00 5.29 H new ATOM 0 HA LEU A 69 47.747 -78.857 -5.830 1.00 3.97 H new ATOM 0 HB2 LEU A 69 47.365 -81.247 -5.422 1.00 6.08 H new ATOM 0 HB3 LEU A 69 45.811 -81.186 -6.230 1.00 6.08 H new ATOM 0 HG LEU A 69 46.911 -80.650 -8.378 1.00 7.37 H new ATOM 0 HD11 LEU A 69 49.372 -80.708 -8.560 1.00 6.87 H new ATOM 0 HD12 LEU A 69 48.837 -79.394 -7.485 1.00 6.87 H new ATOM 0 HD13 LEU A 69 49.500 -80.895 -6.794 1.00 6.87 H new ATOM 0 HD21 LEU A 69 48.082 -82.838 -8.668 1.00 9.96 H new ATOM 0 HD22 LEU A 69 48.185 -83.012 -6.900 1.00 9.96 H new ATOM 0 HD23 LEU A 69 46.598 -83.034 -7.705 1.00 9.96 H new ATOM 1115 N VAL A 70 46.907 -77.869 -7.971 1.00 4.29 N ATOM 1116 CA VAL A 70 46.461 -77.171 -9.173 1.00 6.26 C ATOM 1117 C VAL A 70 47.259 -77.712 -10.353 1.00 9.22 C ATOM 1118 O VAL A 70 48.464 -77.930 -10.263 1.00 9.36 O ATOM 1119 CB VAL A 70 46.685 -75.666 -8.979 1.00 8.69 C ATOM 1120 CG1 VAL A 70 46.872 -74.941 -10.319 1.00 9.76 C ATOM 1121 CG2 VAL A 70 45.502 -75.052 -8.242 1.00 8.54 C ATOM 0 H VAL A 70 47.907 -77.773 -7.795 1.00 4.29 H new ATOM 0 HA VAL A 70 45.400 -77.332 -9.364 1.00 6.26 H new ATOM 0 HB VAL A 70 47.596 -75.546 -8.393 1.00 8.69 H new ATOM 0 HG11 VAL A 70 47.028 -73.877 -10.139 1.00 9.76 H new ATOM 0 HG12 VAL A 70 47.738 -75.352 -10.837 1.00 9.76 H new ATOM 0 HG13 VAL A 70 45.983 -75.078 -10.934 1.00 9.76 H new ATOM 0 HG21 VAL A 70 45.671 -73.983 -8.109 1.00 8.54 H new ATOM 0 HG22 VAL A 70 44.592 -75.206 -8.822 1.00 8.54 H new ATOM 0 HG23 VAL A 70 45.395 -75.526 -7.266 1.00 8.54 H new ATOM 1131 N LEU A 71 46.557 -77.948 -11.450 1.00 12.71 N ATOM 1132 CA LEU A 71 47.172 -78.494 -12.662 1.00 16.06 C ATOM 1133 C LEU A 71 47.406 -77.410 -13.709 1.00 18.09 C ATOM 1134 O LEU A 71 46.496 -76.656 -14.052 1.00 19.26 O ATOM 1135 CB LEU A 71 46.271 -79.578 -13.267 1.00 17.10 C ATOM 1136 CG LEU A 71 46.242 -80.816 -12.356 1.00 19.37 C ATOM 1137 CD1 LEU A 71 45.391 -80.548 -11.106 1.00 17.51 C ATOM 1138 CD2 LEU A 71 45.650 -81.994 -13.136 1.00 19.57 C ATOM 0 H LEU A 71 45.556 -77.771 -11.532 1.00 12.71 H new ATOM 0 HA LEU A 71 48.134 -78.919 -12.376 1.00 16.06 H new ATOM 0 HB2 LEU A 71 45.261 -79.190 -13.397 1.00 17.10 H new ATOM 0 HB3 LEU A 71 46.636 -79.854 -14.256 1.00 17.10 H new ATOM 0 HG LEU A 71 47.259 -81.048 -12.039 1.00 19.37 H new ATOM 0 HD11 LEU A 71 45.383 -81.436 -10.474 1.00 17.51 H new ATOM 0 HD12 LEU A 71 45.814 -79.711 -10.550 1.00 17.51 H new ATOM 0 HD13 LEU A 71 44.371 -80.306 -11.405 1.00 17.51 H new ATOM 0 HD21 LEU A 71 45.625 -82.877 -12.498 1.00 19.57 H new ATOM 0 HD22 LEU A 71 44.637 -81.748 -13.454 1.00 19.57 H new ATOM 0 HD23 LEU A 71 46.266 -82.197 -14.012 1.00 19.57 H new ATOM 1150 N ARG A 72 48.631 -77.361 -14.231 1.00 21.47 N ATOM 1151 CA ARG A 72 48.994 -76.393 -15.269 1.00 25.83 C ATOM 1152 C ARG A 72 49.192 -77.134 -16.591 1.00 27.74 C ATOM 1153 O ARG A 72 50.037 -78.023 -16.685 1.00 30.65 O ATOM 1154 CB ARG A 72 50.292 -75.680 -14.874 1.00 28.49 C ATOM 1155 CG ARG A 72 50.676 -74.654 -15.945 1.00 31.79 C ATOM 1156 CD ARG A 72 51.971 -73.958 -15.530 1.00 34.05 C ATOM 1157 NE ARG A 72 52.322 -72.923 -16.499 1.00 35.08 N ATOM 1158 CZ ARG A 72 53.583 -72.534 -16.668 1.00 34.67 C ATOM 1159 NH1 ARG A 72 54.454 -73.353 -17.190 1.00 35.02 N ATOM 1160 NH2 ARG A 72 53.950 -71.333 -16.312 1.00 34.97 N ATOM 0 H ARG A 72 49.391 -77.981 -13.952 1.00 21.47 H new ATOM 0 HA ARG A 72 48.201 -75.653 -15.379 1.00 25.83 H new ATOM 0 HB2 ARG A 72 50.165 -75.183 -13.912 1.00 28.49 H new ATOM 0 HB3 ARG A 72 51.094 -76.408 -14.753 1.00 28.49 H new ATOM 0 HG2 ARG A 72 50.806 -75.147 -16.908 1.00 31.79 H new ATOM 0 HG3 ARG A 72 49.878 -73.922 -16.067 1.00 31.79 H new ATOM 0 HD2 ARG A 72 51.853 -73.515 -14.541 1.00 34.05 H new ATOM 0 HD3 ARG A 72 52.778 -74.688 -15.459 1.00 34.05 H new ATOM 0 HE ARG A 72 51.586 -72.490 -17.057 1.00 35.08 H new ATOM 0 HH11 ARG A 72 54.168 -74.292 -17.469 1.00 35.02 H new ATOM 0 HH12 ARG A 72 55.421 -73.055 -17.320 1.00 35.02 H new ATOM 0 HH21 ARG A 72 53.270 -70.692 -15.904 1.00 34.97 H new ATOM 0 HH22 ARG A 72 54.917 -71.036 -16.442 1.00 34.97 H new