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 55 THR OG1 : rot 126:sc= 0.122 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.223 USER MOD Set 2.1: A 25 ASN : amide:sc= -3.32! C(o=-5.9!,f=-16!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 148:sc= -2.62! (180deg=-0.811) USER MOD Set 3.1: A 7 THR OG1 : rot 126:sc= 0.149 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0636 USER MOD Single : A 1 MET CE :methyl -163:sc= 0 (180deg=-0.248) USER MOD Single : A 1 MET N :NH3+ 155:sc= 0.727 (180deg=-0.428) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 160:sc= -0.04 (180deg=-0.426) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0112 USER MOD Single : A 14 THR OG1 : rot -64:sc= 1.5 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00878 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0742 USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= -2.71! (180deg=-2.74!) USER MOD Single : A 31 GLN : amide:sc= -2.59! K(o=-2.6!,f=-0.85) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 41 GLN : amide:sc= -3.18! C(o=-3.2!,f=-7.5!) USER MOD Single : A 48 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0352) USER MOD Single : A 49 GLN : amide:sc= -2.01! K(o=-2!,f=-1.2) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.258 USER MOD Single : A 60 ASN : amide:sc= -5.25! C(o=-5.3!,f=-6.1!) USER MOD Single : A 62 GLN : amide:sc= -0.661 K(o=-0.66,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 63:sc= 1.02 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=-0.026) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 55.070 -87.882 9.224 1.00 9.67 N ATOM 2 CA MET A 1 53.685 -87.417 9.516 1.00 10.38 C ATOM 3 C MET A 1 52.823 -87.562 8.269 1.00 9.62 C ATOM 4 O MET A 1 53.330 -87.557 7.147 1.00 9.62 O ATOM 5 CB MET A 1 53.722 -85.953 9.962 1.00 13.77 C ATOM 6 CG MET A 1 54.376 -85.095 8.879 1.00 16.29 C ATOM 7 SD MET A 1 54.661 -83.429 9.532 1.00 17.17 S ATOM 8 CE MET A 1 54.358 -82.517 7.998 1.00 16.11 C ATOM 0 H1 MET A 1 55.736 -87.418 9.874 1.00 9.67 H new ATOM 0 H2 MET A 1 55.124 -88.913 9.351 1.00 9.67 H new ATOM 0 H3 MET A 1 55.318 -87.640 8.243 1.00 9.67 H new ATOM 0 HA MET A 1 53.257 -88.023 10.315 1.00 10.38 H new ATOM 0 HB2 MET A 1 52.710 -85.598 10.158 1.00 13.77 H new ATOM 0 HB3 MET A 1 54.278 -85.862 10.895 1.00 13.77 H new ATOM 0 HG2 MET A 1 55.319 -85.542 8.564 1.00 16.29 H new ATOM 0 HG3 MET A 1 53.735 -85.049 7.998 1.00 16.29 H new ATOM 0 HE1 MET A 1 54.766 -81.510 8.087 1.00 16.11 H new ATOM 0 HE2 MET A 1 54.840 -83.032 7.167 1.00 16.11 H new ATOM 0 HE3 MET A 1 53.285 -82.459 7.815 1.00 16.11 H new ATOM 20 N GLN A 2 51.516 -87.697 8.473 1.00 9.27 N ATOM 21 CA GLN A 2 50.577 -87.852 7.362 1.00 9.07 C ATOM 22 C GLN A 2 49.916 -86.521 7.030 1.00 8.72 C ATOM 23 O GLN A 2 49.541 -85.752 7.918 1.00 8.22 O ATOM 24 CB GLN A 2 49.494 -88.866 7.738 1.00 14.46 C ATOM 25 CG GLN A 2 50.103 -90.267 7.802 1.00 17.01 C ATOM 26 CD GLN A 2 49.052 -91.271 8.264 1.00 20.10 C ATOM 27 OE1 GLN A 2 48.126 -90.910 8.990 1.00 21.89 O ATOM 28 NE2 GLN A 2 49.141 -92.516 7.886 1.00 19.49 N ATOM 0 H GLN A 2 51.081 -87.702 9.396 1.00 9.27 H new ATOM 0 HA GLN A 2 51.130 -88.203 6.491 1.00 9.07 H new ATOM 0 HB2 GLN A 2 49.056 -88.605 8.701 1.00 14.46 H new ATOM 0 HB3 GLN A 2 48.688 -88.842 7.004 1.00 14.46 H new ATOM 0 HG2 GLN A 2 50.484 -90.552 6.821 1.00 17.01 H new ATOM 0 HG3 GLN A 2 50.950 -90.273 8.488 1.00 17.01 H new ATOM 0 HE21 GLN A 2 49.909 -92.813 7.284 1.00 19.49 H new ATOM 0 HE22 GLN A 2 48.442 -93.193 8.192 1.00 19.49 H new ATOM 37 N ILE A 3 49.748 -86.281 5.726 1.00 5.87 N ATOM 38 CA ILE A 3 49.097 -85.072 5.231 1.00 5.07 C ATOM 39 C ILE A 3 48.022 -85.465 4.217 1.00 4.01 C ATOM 40 O ILE A 3 47.979 -86.608 3.759 1.00 4.61 O ATOM 41 CB ILE A 3 50.119 -84.104 4.616 1.00 6.55 C ATOM 42 CG1 ILE A 3 50.799 -84.714 3.385 1.00 4.72 C ATOM 43 CG2 ILE A 3 51.188 -83.768 5.662 1.00 5.58 C ATOM 44 CD1 ILE A 3 51.524 -83.604 2.623 1.00 10.83 C ATOM 0 H ILE A 3 50.058 -86.917 4.991 1.00 5.87 H new ATOM 0 HA ILE A 3 48.628 -84.549 6.064 1.00 5.07 H new ATOM 0 HB ILE A 3 49.589 -83.204 4.305 1.00 6.55 H new ATOM 0 HG12 ILE A 3 51.505 -85.487 3.688 1.00 4.72 H new ATOM 0 HG13 ILE A 3 50.059 -85.192 2.743 1.00 4.72 H new ATOM 0 HG21 ILE A 3 51.916 -83.081 5.230 1.00 5.58 H new ATOM 0 HG22 ILE A 3 50.717 -83.301 6.527 1.00 5.58 H new ATOM 0 HG23 ILE A 3 51.692 -84.683 5.973 1.00 5.58 H new ATOM 0 HD11 ILE A 3 52.012 -84.025 1.744 1.00 10.83 H new ATOM 0 HD12 ILE A 3 50.804 -82.847 2.311 1.00 10.83 H new ATOM 0 HD13 ILE A 3 52.273 -83.147 3.270 1.00 10.83 H new ATOM 56 N PHE A 4 47.160 -84.505 3.865 1.00 4.55 N ATOM 57 CA PHE A 4 46.087 -84.763 2.892 1.00 4.68 C ATOM 58 C PHE A 4 46.148 -83.780 1.727 1.00 5.30 C ATOM 59 O PHE A 4 46.349 -82.592 1.928 1.00 5.58 O ATOM 60 CB PHE A 4 44.729 -84.623 3.580 1.00 4.83 C ATOM 61 CG PHE A 4 44.604 -85.649 4.679 1.00 7.97 C ATOM 62 CD1 PHE A 4 44.169 -86.944 4.376 1.00 6.69 C ATOM 63 CD2 PHE A 4 44.917 -85.307 6.000 1.00 8.34 C ATOM 64 CE1 PHE A 4 44.047 -87.898 5.393 1.00 9.10 C ATOM 65 CE2 PHE A 4 44.796 -86.262 7.018 1.00 10.61 C ATOM 66 CZ PHE A 4 44.361 -87.557 6.714 1.00 8.90 C ATOM 0 H PHE A 4 47.181 -83.554 4.232 1.00 4.55 H new ATOM 0 HA PHE A 4 46.219 -85.774 2.506 1.00 4.68 H new ATOM 0 HB2 PHE A 4 44.622 -83.620 3.993 1.00 4.83 H new ATOM 0 HB3 PHE A 4 43.928 -84.756 2.853 1.00 4.83 H new ATOM 0 HD1 PHE A 4 43.927 -87.208 3.357 1.00 6.69 H new ATOM 0 HD2 PHE A 4 45.252 -84.307 6.234 1.00 8.34 H new ATOM 0 HE1 PHE A 4 43.711 -88.897 5.159 1.00 9.10 H new ATOM 0 HE2 PHE A 4 45.038 -85.999 8.037 1.00 10.61 H new ATOM 0 HZ PHE A 4 44.268 -88.293 7.499 1.00 8.90 H new ATOM 76 N VAL A 5 45.922 -84.280 0.506 1.00 4.44 N ATOM 77 CA VAL A 5 45.897 -83.421 -0.687 1.00 3.87 C ATOM 78 C VAL A 5 44.535 -83.570 -1.360 1.00 4.93 C ATOM 79 O VAL A 5 44.135 -84.675 -1.717 1.00 6.84 O ATOM 80 CB VAL A 5 46.996 -83.809 -1.684 1.00 2.99 C ATOM 81 CG1 VAL A 5 46.969 -82.824 -2.862 1.00 5.28 C ATOM 82 CG2 VAL A 5 48.369 -83.728 -1.004 1.00 9.13 C ATOM 0 H VAL A 5 45.755 -85.268 0.317 1.00 4.44 H new ATOM 0 HA VAL A 5 46.072 -82.390 -0.379 1.00 3.87 H new ATOM 0 HB VAL A 5 46.823 -84.827 -2.034 1.00 2.99 H new ATOM 0 HG11 VAL A 5 47.747 -83.091 -3.577 1.00 5.28 H new ATOM 0 HG12 VAL A 5 45.996 -82.868 -3.351 1.00 5.28 H new ATOM 0 HG13 VAL A 5 47.145 -81.813 -2.495 1.00 5.28 H new ATOM 0 HG21 VAL A 5 49.145 -84.005 -1.717 1.00 9.13 H new ATOM 0 HG22 VAL A 5 48.543 -82.710 -0.655 1.00 9.13 H new ATOM 0 HG23 VAL A 5 48.396 -84.412 -0.155 1.00 9.13 H new ATOM 92 N LYS A 6 43.833 -82.455 -1.559 1.00 6.04 N ATOM 93 CA LYS A 6 42.523 -82.494 -2.223 1.00 6.12 C ATOM 94 C LYS A 6 42.655 -82.089 -3.690 1.00 6.57 C ATOM 95 O LYS A 6 43.430 -81.194 -4.032 1.00 5.76 O ATOM 96 CB LYS A 6 41.518 -81.564 -1.515 1.00 7.45 C ATOM 97 CG LYS A 6 40.793 -82.331 -0.401 1.00 11.12 C ATOM 98 CD LYS A 6 39.802 -81.403 0.291 1.00 14.54 C ATOM 99 CE LYS A 6 39.064 -82.169 1.391 1.00 18.84 C ATOM 100 NZ LYS A 6 38.150 -81.241 2.115 1.00 20.55 N ATOM 0 H LYS A 6 44.140 -81.524 -1.276 1.00 6.04 H new ATOM 0 HA LYS A 6 42.150 -83.517 -2.167 1.00 6.12 H new ATOM 0 HB2 LYS A 6 42.039 -80.703 -1.096 1.00 7.45 H new ATOM 0 HB3 LYS A 6 40.795 -81.180 -2.235 1.00 7.45 H new ATOM 0 HG2 LYS A 6 40.271 -83.192 -0.818 1.00 11.12 H new ATOM 0 HG3 LYS A 6 41.514 -82.714 0.321 1.00 11.12 H new ATOM 0 HD2 LYS A 6 40.326 -80.548 0.718 1.00 14.54 H new ATOM 0 HD3 LYS A 6 39.089 -81.010 -0.434 1.00 14.54 H new ATOM 0 HE2 LYS A 6 38.495 -82.992 0.957 1.00 18.84 H new ATOM 0 HE3 LYS A 6 39.780 -82.608 2.086 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 37.648 -81.761 2.863 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 38.704 -80.471 2.541 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 37.459 -80.843 1.447 1.00 20.55 H new ATOM 114 N THR A 7 41.877 -82.756 -4.557 1.00 7.41 N ATOM 115 CA THR A 7 41.895 -82.460 -5.989 1.00 7.48 C ATOM 116 C THR A 7 40.680 -81.625 -6.387 1.00 8.75 C ATOM 117 O THR A 7 39.711 -81.483 -5.641 1.00 8.58 O ATOM 118 CB THR A 7 41.898 -83.749 -6.810 1.00 9.61 C ATOM 119 OG1 THR A 7 40.634 -84.386 -6.709 1.00 11.78 O ATOM 120 CG2 THR A 7 42.996 -84.696 -6.320 1.00 9.17 C ATOM 0 H THR A 7 41.232 -83.499 -4.288 1.00 7.41 H new ATOM 0 HA THR A 7 42.805 -81.896 -6.194 1.00 7.48 H new ATOM 0 HB THR A 7 42.095 -83.497 -7.852 1.00 9.61 H new ATOM 0 HG1 THR A 7 40.278 -84.551 -7.607 1.00 11.78 H new ATOM 0 HG21 THR A 7 42.983 -85.608 -6.916 1.00 9.17 H new ATOM 0 HG22 THR A 7 43.967 -84.211 -6.421 1.00 9.17 H new ATOM 0 HG23 THR A 7 42.822 -84.944 -5.273 1.00 9.17 H new ATOM 128 N LEU A 8 40.781 -81.089 -7.576 1.00 9.84 N ATOM 129 CA LEU A 8 39.715 -80.252 -8.126 1.00 14.15 C ATOM 130 C LEU A 8 38.427 -81.046 -8.328 1.00 17.37 C ATOM 131 O LEU A 8 37.353 -80.457 -8.456 1.00 17.01 O ATOM 132 CB LEU A 8 40.143 -79.661 -9.473 1.00 16.63 C ATOM 133 CG LEU A 8 41.410 -78.821 -9.300 1.00 18.88 C ATOM 134 CD1 LEU A 8 41.843 -78.273 -10.664 1.00 19.31 C ATOM 135 CD2 LEU A 8 41.155 -77.651 -8.329 1.00 18.59 C ATOM 0 H LEU A 8 41.585 -81.210 -8.191 1.00 9.84 H new ATOM 0 HA LEU A 8 39.529 -79.453 -7.408 1.00 14.15 H new ATOM 0 HB2 LEU A 8 40.324 -80.462 -10.190 1.00 16.63 H new ATOM 0 HB3 LEU A 8 39.341 -79.045 -9.880 1.00 16.63 H new ATOM 0 HG LEU A 8 42.198 -79.450 -8.886 1.00 18.88 H new ATOM 0 HD11 LEU A 8 42.746 -77.674 -10.545 1.00 19.31 H new ATOM 0 HD12 LEU A 8 42.045 -79.102 -11.342 1.00 19.31 H new ATOM 0 HD13 LEU A 8 41.047 -77.653 -11.076 1.00 19.31 H new ATOM 0 HD21 LEU A 8 42.067 -77.065 -8.218 1.00 18.59 H new ATOM 0 HD22 LEU A 8 40.362 -77.017 -8.724 1.00 18.59 H new ATOM 0 HD23 LEU A 8 40.856 -78.043 -7.357 1.00 18.59 H new ATOM 147 N THR A 9 38.524 -82.379 -8.378 1.00 18.33 N ATOM 148 CA THR A 9 37.332 -83.210 -8.593 1.00 19.24 C ATOM 149 C THR A 9 36.713 -83.680 -7.278 1.00 19.48 C ATOM 150 O THR A 9 35.722 -84.410 -7.277 1.00 23.14 O ATOM 151 CB THR A 9 37.641 -84.396 -9.511 1.00 18.97 C ATOM 152 OG1 THR A 9 38.536 -85.278 -8.849 1.00 20.24 O ATOM 153 CG2 THR A 9 38.284 -83.896 -10.804 1.00 19.70 C ATOM 0 H THR A 9 39.396 -82.898 -8.275 1.00 18.33 H new ATOM 0 HA THR A 9 36.592 -82.582 -9.089 1.00 19.24 H new ATOM 0 HB THR A 9 36.716 -84.920 -9.750 1.00 18.97 H new ATOM 0 HG1 THR A 9 38.736 -86.040 -9.432 1.00 20.24 H new ATOM 0 HG21 THR A 9 38.502 -84.744 -11.454 1.00 19.70 H new ATOM 0 HG22 THR A 9 37.599 -83.216 -11.312 1.00 19.70 H new ATOM 0 HG23 THR A 9 39.210 -83.371 -10.570 1.00 19.70 H new ATOM 161 N GLY A 10 37.270 -83.217 -6.159 1.00 19.43 N ATOM 162 CA GLY A 10 36.725 -83.557 -4.843 1.00 18.74 C ATOM 163 C GLY A 10 37.339 -84.815 -4.233 1.00 17.62 C ATOM 164 O GLY A 10 36.815 -85.368 -3.266 1.00 19.74 O ATOM 0 H GLY A 10 38.090 -82.611 -6.136 1.00 19.43 H new ATOM 0 HA2 GLY A 10 36.886 -82.719 -4.165 1.00 18.74 H new ATOM 0 HA3 GLY A 10 35.647 -83.694 -4.930 1.00 18.74 H new ATOM 168 N LYS A 11 38.456 -85.256 -4.803 1.00 13.56 N ATOM 169 CA LYS A 11 39.123 -86.453 -4.286 1.00 11.91 C ATOM 170 C LYS A 11 40.144 -86.061 -3.221 1.00 10.18 C ATOM 171 O LYS A 11 40.809 -85.039 -3.361 1.00 9.10 O ATOM 172 CB LYS A 11 39.855 -87.191 -5.410 1.00 13.43 C ATOM 173 CG LYS A 11 40.327 -88.559 -4.914 1.00 16.69 C ATOM 174 CD LYS A 11 41.056 -89.286 -6.047 1.00 17.92 C ATOM 175 CE LYS A 11 41.456 -90.688 -5.584 1.00 20.81 C ATOM 176 NZ LYS A 11 40.230 -91.514 -5.386 1.00 21.93 N ATOM 0 H LYS A 11 38.912 -84.818 -5.603 1.00 13.56 H new ATOM 0 HA LYS A 11 38.362 -87.105 -3.857 1.00 11.91 H new ATOM 0 HB2 LYS A 11 39.193 -87.314 -6.267 1.00 13.43 H new ATOM 0 HB3 LYS A 11 40.708 -86.603 -5.748 1.00 13.43 H new ATOM 0 HG2 LYS A 11 40.991 -88.439 -4.058 1.00 16.69 H new ATOM 0 HG3 LYS A 11 39.475 -89.150 -4.577 1.00 16.69 H new ATOM 0 HD2 LYS A 11 40.412 -89.352 -6.924 1.00 17.92 H new ATOM 0 HD3 LYS A 11 41.941 -88.723 -6.343 1.00 17.92 H new ATOM 0 HE2 LYS A 11 42.107 -91.155 -6.323 1.00 20.81 H new ATOM 0 HE3 LYS A 11 42.021 -90.628 -4.654 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 40.484 -92.522 -5.407 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 39.801 -91.284 -4.467 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 39.549 -91.313 -6.146 1.00 21.93 H new ATOM 190 N THR A 12 40.296 -86.880 -2.174 1.00 9.63 N ATOM 191 CA THR A 12 41.289 -86.582 -1.125 1.00 9.85 C ATOM 192 C THR A 12 42.336 -87.694 -1.105 1.00 11.66 C ATOM 193 O THR A 12 41.990 -88.870 -0.998 1.00 12.33 O ATOM 194 CB THR A 12 40.616 -86.471 0.249 1.00 10.85 C ATOM 195 OG1 THR A 12 39.652 -85.427 0.216 1.00 10.91 O ATOM 196 CG2 THR A 12 41.681 -86.137 1.299 1.00 9.63 C ATOM 0 H THR A 12 39.760 -87.736 -2.028 1.00 9.63 H new ATOM 0 HA THR A 12 41.764 -85.626 -1.345 1.00 9.85 H new ATOM 0 HB THR A 12 40.128 -87.413 0.499 1.00 10.85 H new ATOM 0 HG1 THR A 12 39.219 -85.354 1.092 1.00 10.91 H new ATOM 0 HG21 THR A 12 41.212 -86.056 2.280 1.00 9.63 H new ATOM 0 HG22 THR A 12 42.432 -86.927 1.320 1.00 9.63 H new ATOM 0 HG23 THR A 12 42.158 -85.190 1.045 1.00 9.63 H new ATOM 204 N ILE A 13 43.618 -87.323 -1.182 1.00 10.42 N ATOM 205 CA ILE A 13 44.703 -88.313 -1.143 1.00 11.84 C ATOM 206 C ILE A 13 45.484 -88.173 0.161 1.00 10.55 C ATOM 207 O ILE A 13 45.775 -87.063 0.603 1.00 11.92 O ATOM 208 CB ILE A 13 45.692 -88.129 -2.313 1.00 14.86 C ATOM 209 CG1 ILE A 13 44.924 -87.730 -3.574 1.00 14.87 C ATOM 210 CG2 ILE A 13 46.443 -89.440 -2.568 1.00 17.08 C ATOM 211 CD1 ILE A 13 45.875 -87.688 -4.773 1.00 16.46 C ATOM 0 H ILE A 13 43.929 -86.356 -1.271 1.00 10.42 H new ATOM 0 HA ILE A 13 44.242 -89.298 -1.220 1.00 11.84 H new ATOM 0 HB ILE A 13 46.407 -87.347 -2.058 1.00 14.86 H new ATOM 0 HG12 ILE A 13 44.120 -88.442 -3.761 1.00 14.87 H new ATOM 0 HG13 ILE A 13 44.459 -86.754 -3.433 1.00 14.87 H new ATOM 0 HG21 ILE A 13 47.140 -89.305 -3.395 1.00 17.08 H new ATOM 0 HG22 ILE A 13 46.994 -89.724 -1.671 1.00 17.08 H new ATOM 0 HG23 ILE A 13 45.730 -90.225 -2.819 1.00 17.08 H new ATOM 0 HD11 ILE A 13 45.321 -87.403 -5.667 1.00 16.46 H new ATOM 0 HD12 ILE A 13 46.663 -86.958 -4.587 1.00 16.46 H new ATOM 0 HD13 ILE A 13 46.319 -88.673 -4.920 1.00 16.46 H new ATOM 223 N THR A 14 45.842 -89.311 0.761 1.00 9.39 N ATOM 224 CA THR A 14 46.615 -89.305 2.003 1.00 9.63 C ATOM 225 C THR A 14 48.059 -89.661 1.676 1.00 11.20 C ATOM 226 O THR A 14 48.313 -90.628 0.959 1.00 11.63 O ATOM 227 CB THR A 14 46.043 -90.324 2.992 1.00 10.38 C ATOM 228 OG1 THR A 14 44.689 -89.998 3.275 1.00 16.30 O ATOM 229 CG2 THR A 14 46.853 -90.290 4.289 1.00 11.66 C ATOM 0 H THR A 14 45.611 -90.240 0.410 1.00 9.39 H new ATOM 0 HA THR A 14 46.564 -88.317 2.460 1.00 9.63 H new ATOM 0 HB THR A 14 46.097 -91.321 2.556 1.00 10.38 H new ATOM 0 HG1 THR A 14 44.649 -89.130 3.729 1.00 16.30 H new ATOM 0 HG21 THR A 14 46.445 -91.016 4.992 1.00 11.66 H new ATOM 0 HG22 THR A 14 47.893 -90.537 4.075 1.00 11.66 H new ATOM 0 HG23 THR A 14 46.800 -89.293 4.725 1.00 11.66 H new ATOM 237 N LEU A 15 49.006 -88.872 2.187 1.00 8.29 N ATOM 238 CA LEU A 15 50.428 -89.114 1.919 1.00 9.03 C ATOM 239 C LEU A 15 51.215 -89.189 3.220 1.00 8.59 C ATOM 240 O LEU A 15 50.890 -88.504 4.187 1.00 7.79 O ATOM 241 CB LEU A 15 50.988 -87.968 1.070 1.00 11.08 C ATOM 242 CG LEU A 15 50.229 -87.872 -0.261 1.00 15.79 C ATOM 243 CD1 LEU A 15 50.749 -86.664 -1.046 1.00 15.88 C ATOM 244 CD2 LEU A 15 50.439 -89.153 -1.088 1.00 15.27 C ATOM 0 H LEU A 15 48.818 -88.066 2.784 1.00 8.29 H new ATOM 0 HA LEU A 15 50.523 -90.062 1.389 1.00 9.03 H new ATOM 0 HB2 LEU A 15 50.902 -87.027 1.614 1.00 11.08 H new ATOM 0 HB3 LEU A 15 52.049 -88.131 0.881 1.00 11.08 H new ATOM 0 HG LEU A 15 49.164 -87.756 -0.060 1.00 15.79 H new ATOM 0 HD11 LEU A 15 50.215 -86.588 -1.993 1.00 15.88 H new ATOM 0 HD12 LEU A 15 50.588 -85.756 -0.465 1.00 15.88 H new ATOM 0 HD13 LEU A 15 51.815 -86.787 -1.239 1.00 15.88 H new ATOM 0 HD21 LEU A 15 49.895 -89.072 -2.029 1.00 15.27 H new ATOM 0 HD22 LEU A 15 51.502 -89.284 -1.293 1.00 15.27 H new ATOM 0 HD23 LEU A 15 50.069 -90.012 -0.528 1.00 15.27 H new ATOM 256 N GLU A 16 52.294 -89.969 3.217 1.00 11.04 N ATOM 257 CA GLU A 16 53.173 -90.059 4.384 1.00 11.50 C ATOM 258 C GLU A 16 54.396 -89.213 4.061 1.00 10.13 C ATOM 259 O GLU A 16 55.059 -89.436 3.048 1.00 9.83 O ATOM 260 CB GLU A 16 53.574 -91.511 4.658 1.00 17.22 C ATOM 261 CG GLU A 16 54.492 -91.570 5.883 1.00 23.33 C ATOM 262 CD GLU A 16 54.894 -93.014 6.161 1.00 26.99 C ATOM 263 OE1 GLU A 16 54.331 -93.896 5.534 1.00 28.86 O ATOM 264 OE2 GLU A 16 55.759 -93.217 6.996 1.00 28.90 O ATOM 0 H GLU A 16 52.581 -90.545 2.426 1.00 11.04 H new ATOM 0 HA GLU A 16 52.670 -89.701 5.282 1.00 11.50 H new ATOM 0 HB2 GLU A 16 52.685 -92.118 4.828 1.00 17.22 H new ATOM 0 HB3 GLU A 16 54.083 -91.928 3.789 1.00 17.22 H new ATOM 0 HG2 GLU A 16 55.381 -90.962 5.712 1.00 23.33 H new ATOM 0 HG3 GLU A 16 53.982 -91.152 6.751 1.00 23.33 H new ATOM 271 N VAL A 17 54.682 -88.219 4.901 1.00 8.99 N ATOM 272 CA VAL A 17 55.816 -87.327 4.660 1.00 8.85 C ATOM 273 C VAL A 17 56.557 -86.995 5.947 1.00 8.04 C ATOM 274 O VAL A 17 56.061 -87.217 7.052 1.00 8.99 O ATOM 275 CB VAL A 17 55.318 -86.018 4.046 1.00 9.78 C ATOM 276 CG1 VAL A 17 54.636 -86.286 2.704 1.00 12.05 C ATOM 277 CG2 VAL A 17 54.325 -85.364 5.010 1.00 10.54 C ATOM 0 H VAL A 17 54.150 -88.012 5.746 1.00 8.99 H new ATOM 0 HA VAL A 17 56.498 -87.843 3.984 1.00 8.85 H new ATOM 0 HB VAL A 17 56.165 -85.353 3.877 1.00 9.78 H new ATOM 0 HG11 VAL A 17 54.287 -85.345 2.279 1.00 12.05 H new ATOM 0 HG12 VAL A 17 55.347 -86.751 2.021 1.00 12.05 H new ATOM 0 HG13 VAL A 17 53.787 -86.953 2.854 1.00 12.05 H new ATOM 0 HG21 VAL A 17 53.964 -84.429 4.581 1.00 10.54 H new ATOM 0 HG22 VAL A 17 53.483 -86.036 5.177 1.00 10.54 H new ATOM 0 HG23 VAL A 17 54.820 -85.160 5.959 1.00 10.54 H new ATOM 287 N GLU A 18 57.734 -86.403 5.770 1.00 7.29 N ATOM 288 CA GLU A 18 58.562 -85.956 6.890 1.00 7.08 C ATOM 289 C GLU A 18 58.698 -84.434 6.772 1.00 6.45 C ATOM 290 O GLU A 18 58.635 -83.915 5.658 1.00 5.28 O ATOM 291 CB GLU A 18 59.943 -86.616 6.829 1.00 10.28 C ATOM 292 CG GLU A 18 59.812 -88.121 7.079 1.00 12.65 C ATOM 293 CD GLU A 18 59.611 -88.389 8.566 1.00 14.15 C ATOM 294 OE1 GLU A 18 58.471 -88.381 9.000 1.00 14.33 O ATOM 295 OE2 GLU A 18 60.600 -88.599 9.249 1.00 18.17 O ATOM 0 H GLU A 18 58.141 -86.219 4.853 1.00 7.29 H new ATOM 0 HA GLU A 18 58.105 -86.232 7.840 1.00 7.08 H new ATOM 0 HB2 GLU A 18 60.398 -86.439 5.855 1.00 10.28 H new ATOM 0 HB3 GLU A 18 60.602 -86.171 7.574 1.00 10.28 H new ATOM 0 HG2 GLU A 18 58.970 -88.520 6.513 1.00 12.65 H new ATOM 0 HG3 GLU A 18 60.706 -88.635 6.726 1.00 12.65 H new ATOM 302 N PRO A 19 58.860 -83.684 7.843 1.00 7.24 N ATOM 303 CA PRO A 19 58.968 -82.208 7.718 1.00 7.07 C ATOM 304 C PRO A 19 60.128 -81.761 6.828 1.00 6.65 C ATOM 305 O PRO A 19 60.103 -80.661 6.273 1.00 6.37 O ATOM 306 CB PRO A 19 59.131 -81.682 9.160 1.00 7.61 C ATOM 307 CG PRO A 19 58.666 -82.817 10.027 1.00 8.16 C ATOM 308 CD PRO A 19 58.957 -84.110 9.250 1.00 7.49 C ATOM 0 HA PRO A 19 58.081 -81.804 7.229 1.00 7.07 H new ATOM 0 HB2 PRO A 19 60.167 -81.419 9.372 1.00 7.61 H new ATOM 0 HB3 PRO A 19 58.534 -80.785 9.326 1.00 7.61 H new ATOM 0 HG2 PRO A 19 59.189 -82.814 10.983 1.00 8.16 H new ATOM 0 HG3 PRO A 19 57.602 -82.727 10.245 1.00 8.16 H new ATOM 0 HD2 PRO A 19 59.945 -84.507 9.484 1.00 7.49 H new ATOM 0 HD3 PRO A 19 58.235 -84.892 9.485 1.00 7.49 H new ATOM 316 N SER A 20 61.149 -82.608 6.709 1.00 6.80 N ATOM 317 CA SER A 20 62.319 -82.277 5.898 1.00 6.28 C ATOM 318 C SER A 20 62.113 -82.622 4.428 1.00 8.45 C ATOM 319 O SER A 20 62.995 -82.372 3.606 1.00 7.26 O ATOM 320 CB SER A 20 63.549 -83.015 6.424 1.00 8.57 C ATOM 321 OG SER A 20 63.241 -84.393 6.586 1.00 11.13 O ATOM 0 H SER A 20 61.190 -83.522 7.160 1.00 6.80 H new ATOM 0 HA SER A 20 62.469 -81.200 5.973 1.00 6.28 H new ATOM 0 HB2 SER A 20 64.382 -82.897 5.731 1.00 8.57 H new ATOM 0 HB3 SER A 20 63.864 -82.587 7.376 1.00 8.57 H new ATOM 0 HG SER A 20 64.030 -84.867 6.922 1.00 11.13 H new ATOM 327 N ASP A 21 60.950 -83.165 4.078 1.00 7.50 N ATOM 328 CA ASP A 21 60.682 -83.487 2.683 1.00 7.70 C ATOM 329 C ASP A 21 60.488 -82.183 1.929 1.00 7.08 C ATOM 330 O ASP A 21 59.876 -81.229 2.428 1.00 8.11 O ATOM 331 CB ASP A 21 59.420 -84.351 2.571 1.00 11.00 C ATOM 332 CG ASP A 21 59.730 -85.800 2.946 1.00 15.32 C ATOM 333 OD1 ASP A 21 60.899 -86.122 3.084 1.00 18.03 O ATOM 334 OD2 ASP A 21 58.792 -86.566 3.088 1.00 14.36 O ATOM 0 H ASP A 21 60.194 -83.387 4.726 1.00 7.50 H new ATOM 0 HA ASP A 21 61.516 -84.048 2.261 1.00 7.70 H new ATOM 0 HB2 ASP A 21 58.643 -83.957 3.226 1.00 11.00 H new ATOM 0 HB3 ASP A 21 59.031 -84.307 1.554 1.00 11.00 H new ATOM 339 N THR A 22 60.995 -82.178 0.695 1.00 5.37 N ATOM 340 CA THR A 22 60.864 -81.025 -0.178 1.00 6.01 C ATOM 341 C THR A 22 59.541 -81.090 -0.927 1.00 8.01 C ATOM 342 O THR A 22 58.974 -82.162 -1.111 1.00 8.11 O ATOM 343 CB THR A 22 61.993 -80.978 -1.202 1.00 8.92 C ATOM 344 OG1 THR A 22 61.935 -82.134 -2.023 1.00 10.22 O ATOM 345 CG2 THR A 22 63.359 -80.901 -0.517 1.00 9.65 C ATOM 0 H THR A 22 61.499 -82.963 0.283 1.00 5.37 H new ATOM 0 HA THR A 22 60.907 -80.132 0.445 1.00 6.01 H new ATOM 0 HB THR A 22 61.867 -80.083 -1.811 1.00 8.92 H new ATOM 0 HG1 THR A 22 62.659 -82.104 -2.682 1.00 10.22 H new ATOM 0 HG21 THR A 22 64.144 -80.869 -1.273 1.00 9.65 H new ATOM 0 HG22 THR A 22 63.408 -80.001 0.096 1.00 9.65 H new ATOM 0 HG23 THR A 22 63.499 -81.778 0.115 1.00 9.65 H new ATOM 353 N ILE A 23 59.079 -79.935 -1.383 1.00 8.32 N ATOM 354 CA ILE A 23 57.840 -79.859 -2.151 1.00 9.92 C ATOM 355 C ILE A 23 57.983 -80.677 -3.439 1.00 10.01 C ATOM 356 O ILE A 23 57.059 -81.388 -3.829 1.00 8.71 O ATOM 357 CB ILE A 23 57.505 -78.388 -2.439 1.00 10.78 C ATOM 358 CG1 ILE A 23 57.147 -77.651 -1.133 1.00 11.38 C ATOM 359 CG2 ILE A 23 56.342 -78.295 -3.429 1.00 10.90 C ATOM 360 CD1 ILE A 23 55.980 -78.330 -0.408 1.00 12.30 C ATOM 0 H ILE A 23 59.541 -79.038 -1.236 1.00 8.32 H new ATOM 0 HA ILE A 23 57.015 -80.283 -1.579 1.00 9.92 H new ATOM 0 HB ILE A 23 58.382 -77.913 -2.878 1.00 10.78 H new ATOM 0 HG12 ILE A 23 58.018 -77.625 -0.478 1.00 11.38 H new ATOM 0 HG13 ILE A 23 56.885 -76.617 -1.357 1.00 11.38 H new ATOM 0 HG21 ILE A 23 56.114 -77.247 -3.625 1.00 10.90 H new ATOM 0 HG22 ILE A 23 56.618 -78.787 -4.362 1.00 10.90 H new ATOM 0 HG23 ILE A 23 55.464 -78.784 -3.006 1.00 10.90 H new ATOM 0 HD11 ILE A 23 55.754 -77.785 0.508 1.00 12.30 H new ATOM 0 HD12 ILE A 23 55.102 -78.333 -1.054 1.00 12.30 H new ATOM 0 HD13 ILE A 23 56.252 -79.356 -0.162 1.00 12.30 H new ATOM 372 N GLU A 24 59.152 -80.607 -4.079 1.00 9.54 N ATOM 373 CA GLU A 24 59.392 -81.393 -5.294 1.00 11.81 C ATOM 374 C GLU A 24 59.250 -82.882 -4.968 1.00 11.14 C ATOM 375 O GLU A 24 58.751 -83.658 -5.781 1.00 10.62 O ATOM 376 CB GLU A 24 60.796 -81.098 -5.852 1.00 19.24 C ATOM 377 CG GLU A 24 61.210 -82.169 -6.875 1.00 27.76 C ATOM 378 CD GLU A 24 60.082 -82.424 -7.872 1.00 32.92 C ATOM 379 OE1 GLU A 24 59.398 -81.475 -8.221 1.00 34.80 O ATOM 380 OE2 GLU A 24 59.917 -83.565 -8.272 1.00 36.51 O ATOM 0 H GLU A 24 59.936 -80.025 -3.784 1.00 9.54 H new ATOM 0 HA GLU A 24 58.659 -81.119 -6.053 1.00 11.81 H new ATOM 0 HB2 GLU A 24 60.807 -80.115 -6.323 1.00 19.24 H new ATOM 0 HB3 GLU A 24 61.518 -81.069 -5.036 1.00 19.24 H new ATOM 0 HG2 GLU A 24 62.106 -81.846 -7.406 1.00 27.76 H new ATOM 0 HG3 GLU A 24 61.462 -83.095 -6.358 1.00 27.76 H new ATOM 387 N ASN A 25 59.694 -83.268 -3.779 1.00 9.43 N ATOM 388 CA ASN A 25 59.601 -84.668 -3.376 1.00 10.96 C ATOM 389 C ASN A 25 58.133 -85.046 -3.195 1.00 9.68 C ATOM 390 O ASN A 25 57.701 -86.111 -3.632 1.00 9.33 O ATOM 391 CB ASN A 25 60.373 -84.906 -2.079 1.00 16.78 C ATOM 392 CG ASN A 25 60.476 -86.401 -1.809 1.00 22.31 C ATOM 393 OD1 ASN A 25 59.658 -87.179 -2.300 1.00 25.66 O ATOM 394 ND2 ASN A 25 61.448 -86.854 -1.068 1.00 24.70 N ATOM 0 H ASN A 25 60.114 -82.647 -3.088 1.00 9.43 H new ATOM 0 HA ASN A 25 60.042 -85.292 -4.153 1.00 10.96 H new ATOM 0 HB2 ASN A 25 61.370 -84.471 -2.153 1.00 16.78 H new ATOM 0 HB3 ASN A 25 59.869 -84.411 -1.249 1.00 16.78 H new ATOM 0 HD21 ASN A 25 61.532 -87.855 -0.894 1.00 24.70 H new ATOM 0 HD22 ASN A 25 62.124 -86.207 -0.663 1.00 24.70 H new ATOM 401 N VAL A 26 57.366 -84.158 -2.564 1.00 6.52 N ATOM 402 CA VAL A 26 55.945 -84.412 -2.358 1.00 5.53 C ATOM 403 C VAL A 26 55.255 -84.568 -3.712 1.00 4.42 C ATOM 404 O VAL A 26 54.414 -85.455 -3.884 1.00 3.40 O ATOM 405 CB VAL A 26 55.293 -83.288 -1.548 1.00 3.86 C ATOM 406 CG1 VAL A 26 53.775 -83.483 -1.515 1.00 7.25 C ATOM 407 CG2 VAL A 26 55.848 -83.294 -0.122 1.00 8.12 C ATOM 0 H VAL A 26 57.700 -83.269 -2.192 1.00 6.52 H new ATOM 0 HA VAL A 26 55.834 -85.334 -1.788 1.00 5.53 H new ATOM 0 HB VAL A 26 55.518 -82.330 -2.018 1.00 3.86 H new ATOM 0 HG11 VAL A 26 53.317 -82.680 -0.937 1.00 7.25 H new ATOM 0 HG12 VAL A 26 53.384 -83.466 -2.532 1.00 7.25 H new ATOM 0 HG13 VAL A 26 53.541 -84.442 -1.052 1.00 7.25 H new ATOM 0 HG21 VAL A 26 55.383 -82.493 0.453 1.00 8.12 H new ATOM 0 HG22 VAL A 26 55.630 -84.253 0.349 1.00 8.12 H new ATOM 0 HG23 VAL A 26 56.927 -83.140 -0.151 1.00 8.12 H new ATOM 417 N LYS A 27 55.619 -83.723 -4.690 1.00 2.64 N ATOM 418 CA LYS A 27 55.030 -83.813 -6.021 1.00 4.14 C ATOM 419 C LYS A 27 55.326 -85.189 -6.609 1.00 5.58 C ATOM 420 O LYS A 27 54.483 -85.790 -7.271 1.00 4.11 O ATOM 421 CB LYS A 27 55.655 -82.796 -6.981 1.00 3.97 C ATOM 422 CG LYS A 27 55.358 -81.331 -6.591 1.00 7.45 C ATOM 423 CD LYS A 27 55.239 -80.496 -7.891 1.00 9.02 C ATOM 424 CE LYS A 27 55.375 -78.980 -7.608 1.00 12.90 C ATOM 425 NZ LYS A 27 56.184 -78.353 -8.692 1.00 15.47 N ATOM 0 H LYS A 27 56.310 -82.981 -4.580 1.00 2.64 H new ATOM 0 HA LYS A 27 53.961 -83.626 -5.915 1.00 4.14 H new ATOM 0 HB2 LYS A 27 56.734 -82.947 -7.008 1.00 3.97 H new ATOM 0 HB3 LYS A 27 55.282 -82.980 -7.989 1.00 3.97 H new ATOM 0 HG2 LYS A 27 54.434 -81.271 -6.015 1.00 7.45 H new ATOM 0 HG3 LYS A 27 56.154 -80.938 -5.959 1.00 7.45 H new ATOM 0 HD2 LYS A 27 56.011 -80.806 -8.595 1.00 9.02 H new ATOM 0 HD3 LYS A 27 54.277 -80.694 -8.365 1.00 9.02 H new ATOM 0 HE2 LYS A 27 54.390 -78.517 -7.558 1.00 12.90 H new ATOM 0 HE3 LYS A 27 55.852 -78.819 -6.641 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 56.237 -77.326 -8.536 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 57.143 -78.754 -8.685 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 55.737 -78.541 -9.612 1.00 15.47 H new ATOM 439 N ALA A 28 56.548 -85.666 -6.377 1.00 6.61 N ATOM 440 CA ALA A 28 56.963 -86.959 -6.907 1.00 7.74 C ATOM 441 C ALA A 28 56.108 -88.082 -6.330 1.00 9.17 C ATOM 442 O ALA A 28 55.750 -89.022 -7.039 1.00 11.45 O ATOM 443 CB ALA A 28 58.446 -87.209 -6.622 1.00 7.68 C ATOM 0 H ALA A 28 57.260 -85.181 -5.831 1.00 6.61 H new ATOM 0 HA ALA A 28 56.819 -86.944 -7.987 1.00 7.74 H new ATOM 0 HB1 ALA A 28 58.736 -88.179 -7.026 1.00 7.68 H new ATOM 0 HB2 ALA A 28 59.044 -86.428 -7.092 1.00 7.68 H new ATOM 0 HB3 ALA A 28 58.616 -87.198 -5.545 1.00 7.68 H new ATOM 449 N LYS A 29 55.765 -87.976 -5.053 1.00 8.96 N ATOM 450 CA LYS A 29 54.930 -88.991 -4.421 1.00 7.90 C ATOM 451 C LYS A 29 53.540 -88.993 -5.059 1.00 6.92 C ATOM 452 O LYS A 29 52.966 -90.049 -5.310 1.00 6.87 O ATOM 453 CB LYS A 29 54.777 -88.719 -2.924 1.00 10.28 C ATOM 454 CG LYS A 29 56.096 -88.967 -2.189 1.00 14.94 C ATOM 455 CD LYS A 29 55.879 -88.679 -0.703 1.00 19.69 C ATOM 456 CE LYS A 29 57.169 -88.909 0.090 1.00 22.63 C ATOM 457 NZ LYS A 29 58.314 -88.307 -0.649 1.00 24.98 N ATOM 0 H LYS A 29 56.047 -87.210 -4.441 1.00 8.96 H new ATOM 0 HA LYS A 29 55.413 -89.958 -4.563 1.00 7.90 H new ATOM 0 HB2 LYS A 29 54.457 -87.689 -2.768 1.00 10.28 H new ATOM 0 HB3 LYS A 29 53.999 -89.361 -2.511 1.00 10.28 H new ATOM 0 HG2 LYS A 29 56.423 -89.997 -2.332 1.00 14.94 H new ATOM 0 HG3 LYS A 29 56.880 -88.325 -2.590 1.00 14.94 H new ATOM 0 HD2 LYS A 29 55.545 -87.650 -0.572 1.00 19.69 H new ATOM 0 HD3 LYS A 29 55.089 -89.322 -0.315 1.00 19.69 H new ATOM 0 HE2 LYS A 29 57.085 -88.462 1.081 1.00 22.63 H new ATOM 0 HE3 LYS A 29 57.335 -89.976 0.235 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 59.025 -87.967 0.030 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 58.742 -89.024 -1.270 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 57.975 -87.509 -1.224 1.00 24.98 H new ATOM 471 N ILE A 30 53.022 -87.794 -5.364 1.00 4.57 N ATOM 472 CA ILE A 30 51.717 -87.657 -6.017 1.00 5.58 C ATOM 473 C ILE A 30 51.780 -88.271 -7.420 1.00 7.26 C ATOM 474 O ILE A 30 50.837 -88.929 -7.848 1.00 9.46 O ATOM 475 CB ILE A 30 51.299 -86.180 -6.063 1.00 5.36 C ATOM 476 CG1 ILE A 30 50.975 -85.738 -4.627 1.00 2.94 C ATOM 477 CG2 ILE A 30 50.057 -86.001 -6.956 1.00 2.78 C ATOM 478 CD1 ILE A 30 50.474 -84.294 -4.608 1.00 2.00 C ATOM 0 H ILE A 30 53.488 -86.908 -5.168 1.00 4.57 H new ATOM 0 HA ILE A 30 50.961 -88.193 -5.444 1.00 5.58 H new ATOM 0 HB ILE A 30 52.105 -85.576 -6.479 1.00 5.36 H new ATOM 0 HG12 ILE A 30 50.219 -86.397 -4.200 1.00 2.94 H new ATOM 0 HG13 ILE A 30 51.865 -85.828 -4.004 1.00 2.94 H new ATOM 0 HG21 ILE A 30 49.773 -84.949 -6.978 1.00 2.78 H new ATOM 0 HG22 ILE A 30 50.285 -86.337 -7.968 1.00 2.78 H new ATOM 0 HG23 ILE A 30 49.233 -86.591 -6.555 1.00 2.78 H new ATOM 0 HD11 ILE A 30 50.250 -84.000 -3.583 1.00 2.00 H new ATOM 0 HD12 ILE A 30 51.243 -83.637 -5.014 1.00 2.00 H new ATOM 0 HD13 ILE A 30 49.571 -84.214 -5.214 1.00 2.00 H new ATOM 490 N GLN A 31 52.886 -88.061 -8.131 1.00 7.06 N ATOM 491 CA GLN A 31 53.034 -88.612 -9.482 1.00 8.67 C ATOM 492 C GLN A 31 52.933 -90.131 -9.421 1.00 10.90 C ATOM 493 O GLN A 31 52.292 -90.764 -10.260 1.00 9.63 O ATOM 494 CB GLN A 31 54.413 -88.223 -10.032 1.00 9.12 C ATOM 495 CG GLN A 31 54.621 -88.823 -11.429 1.00 10.76 C ATOM 496 CD GLN A 31 55.991 -88.426 -11.968 1.00 13.78 C ATOM 497 OE1 GLN A 31 56.353 -88.808 -13.081 1.00 14.48 O ATOM 498 NE2 GLN A 31 56.783 -87.689 -11.238 1.00 14.76 N ATOM 0 H GLN A 31 53.686 -87.520 -7.802 1.00 7.06 H new ATOM 0 HA GLN A 31 52.250 -88.218 -10.128 1.00 8.67 H new ATOM 0 HB2 GLN A 31 54.500 -87.137 -10.079 1.00 9.12 H new ATOM 0 HB3 GLN A 31 55.193 -88.576 -9.358 1.00 9.12 H new ATOM 0 HG2 GLN A 31 54.540 -89.909 -11.383 1.00 10.76 H new ATOM 0 HG3 GLN A 31 53.840 -88.473 -12.104 1.00 10.76 H new ATOM 0 HE21 GLN A 31 56.481 -87.374 -10.316 1.00 14.76 H new ATOM 0 HE22 GLN A 31 57.704 -87.428 -11.589 1.00 14.76 H new ATOM 507 N ASP A 32 53.602 -90.692 -8.441 1.00 10.93 N ATOM 508 CA ASP A 32 53.615 -92.137 -8.288 1.00 14.01 C ATOM 509 C ASP A 32 52.196 -92.668 -8.084 1.00 14.04 C ATOM 510 O ASP A 32 51.840 -93.730 -8.593 1.00 13.39 O ATOM 511 CB ASP A 32 54.460 -92.516 -7.071 1.00 18.01 C ATOM 512 CG ASP A 32 55.934 -92.240 -7.347 1.00 24.33 C ATOM 513 OD1 ASP A 32 56.293 -92.143 -8.509 1.00 26.29 O ATOM 514 OD2 ASP A 32 56.683 -92.127 -6.390 1.00 25.17 O ATOM 0 H ASP A 32 54.141 -90.181 -7.742 1.00 10.93 H new ATOM 0 HA ASP A 32 54.037 -92.575 -9.192 1.00 14.01 H new ATOM 0 HB2 ASP A 32 54.133 -91.947 -6.201 1.00 18.01 H new ATOM 0 HB3 ASP A 32 54.318 -93.571 -6.835 1.00 18.01 H new ATOM 519 N LYS A 33 51.408 -91.944 -7.289 1.00 14.22 N ATOM 520 CA LYS A 33 50.046 -92.371 -6.965 1.00 14.00 C ATOM 521 C LYS A 33 48.996 -92.035 -8.041 1.00 12.37 C ATOM 522 O LYS A 33 48.067 -92.816 -8.247 1.00 12.17 O ATOM 523 CB LYS A 33 49.587 -91.708 -5.667 1.00 18.62 C ATOM 524 CG LYS A 33 50.536 -92.059 -4.499 1.00 24.00 C ATOM 525 CD LYS A 33 49.726 -92.199 -3.208 1.00 27.61 C ATOM 526 CE LYS A 33 50.655 -92.455 -2.015 1.00 27.64 C ATOM 527 NZ LYS A 33 51.010 -93.901 -1.961 1.00 30.06 N ATOM 0 H LYS A 33 51.688 -91.062 -6.859 1.00 14.22 H new ATOM 0 HA LYS A 33 50.105 -93.456 -6.884 1.00 14.00 H new ATOM 0 HB2 LYS A 33 49.552 -90.627 -5.800 1.00 18.62 H new ATOM 0 HB3 LYS A 33 48.574 -92.032 -5.427 1.00 18.62 H new ATOM 0 HG2 LYS A 33 51.064 -92.988 -4.712 1.00 24.00 H new ATOM 0 HG3 LYS A 33 51.292 -91.282 -4.384 1.00 24.00 H new ATOM 0 HD2 LYS A 33 49.145 -91.293 -3.036 1.00 27.61 H new ATOM 0 HD3 LYS A 33 49.015 -93.019 -3.305 1.00 27.61 H new ATOM 0 HE2 LYS A 33 51.558 -91.851 -2.108 1.00 27.64 H new ATOM 0 HE3 LYS A 33 50.165 -92.155 -1.089 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 51.640 -94.074 -1.152 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 50.144 -94.467 -1.853 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 51.494 -94.173 -2.841 1.00 30.06 H new ATOM 541 N GLU A 34 49.071 -90.842 -8.649 1.00 10.11 N ATOM 542 CA GLU A 34 48.027 -90.403 -9.604 1.00 10.07 C ATOM 543 C GLU A 34 48.447 -90.319 -11.081 1.00 9.32 C ATOM 544 O GLU A 34 47.593 -90.257 -11.966 1.00 11.61 O ATOM 545 CB GLU A 34 47.516 -89.036 -9.125 1.00 14.77 C ATOM 546 CG GLU A 34 46.820 -89.217 -7.769 1.00 18.75 C ATOM 547 CD GLU A 34 45.506 -89.973 -7.939 1.00 22.28 C ATOM 548 OE1 GLU A 34 44.999 -89.998 -9.049 1.00 21.95 O ATOM 549 OE2 GLU A 34 45.028 -90.519 -6.958 1.00 25.19 O ATOM 0 H GLU A 34 49.826 -90.171 -8.505 1.00 10.11 H new ATOM 0 HA GLU A 34 47.258 -91.176 -9.599 1.00 10.07 H new ATOM 0 HB2 GLU A 34 48.345 -88.334 -9.033 1.00 14.77 H new ATOM 0 HB3 GLU A 34 46.822 -88.616 -9.853 1.00 14.77 H new ATOM 0 HG2 GLU A 34 47.474 -89.761 -7.088 1.00 18.75 H new ATOM 0 HG3 GLU A 34 46.630 -88.243 -7.318 1.00 18.75 H new ATOM 556 N GLY A 35 49.748 -90.352 -11.347 1.00 7.22 N ATOM 557 CA GLY A 35 50.239 -90.315 -12.731 1.00 6.29 C ATOM 558 C GLY A 35 50.297 -88.896 -13.313 1.00 6.93 C ATOM 559 O GLY A 35 50.483 -88.715 -14.516 1.00 7.41 O ATOM 0 H GLY A 35 50.478 -90.404 -10.637 1.00 7.22 H new ATOM 0 HA2 GLY A 35 51.234 -90.757 -12.769 1.00 6.29 H new ATOM 0 HA3 GLY A 35 49.592 -90.931 -13.356 1.00 6.29 H new ATOM 563 N ILE A 36 50.135 -87.905 -12.452 1.00 5.86 N ATOM 564 CA ILE A 36 50.168 -86.504 -12.890 1.00 6.07 C ATOM 565 C ILE A 36 51.625 -86.004 -12.912 1.00 6.36 C ATOM 566 O ILE A 36 52.259 -85.959 -11.858 1.00 6.18 O ATOM 567 CB ILE A 36 49.369 -85.648 -11.900 1.00 7.47 C ATOM 568 CG1 ILE A 36 47.958 -86.243 -11.686 1.00 8.52 C ATOM 569 CG2 ILE A 36 49.238 -84.220 -12.454 1.00 7.36 C ATOM 570 CD1 ILE A 36 47.414 -85.799 -10.323 1.00 9.49 C ATOM 0 H ILE A 36 49.980 -88.034 -11.452 1.00 5.86 H new ATOM 0 HA ILE A 36 49.736 -86.427 -13.888 1.00 6.07 H new ATOM 0 HB ILE A 36 49.894 -85.632 -10.945 1.00 7.47 H new ATOM 0 HG12 ILE A 36 47.289 -85.913 -12.481 1.00 8.52 H new ATOM 0 HG13 ILE A 36 48.000 -87.331 -11.735 1.00 8.52 H new ATOM 0 HG21 ILE A 36 48.670 -83.608 -11.753 1.00 7.36 H new ATOM 0 HG22 ILE A 36 50.230 -83.790 -12.590 1.00 7.36 H new ATOM 0 HG23 ILE A 36 48.720 -84.248 -13.413 1.00 7.36 H new ATOM 0 HD11 ILE A 36 46.419 -86.219 -10.174 1.00 9.49 H new ATOM 0 HD12 ILE A 36 48.079 -86.151 -9.534 1.00 9.49 H new ATOM 0 HD13 ILE A 36 47.357 -84.711 -10.291 1.00 9.49 H new ATOM 582 N PRO A 37 52.188 -85.623 -14.050 1.00 8.65 N ATOM 583 CA PRO A 37 53.601 -85.130 -14.082 1.00 9.18 C ATOM 584 C PRO A 37 53.804 -83.890 -13.174 1.00 9.85 C ATOM 585 O PRO A 37 52.978 -82.978 -13.188 1.00 8.51 O ATOM 586 CB PRO A 37 53.866 -84.796 -15.563 1.00 11.42 C ATOM 587 CG PRO A 37 52.794 -85.506 -16.332 1.00 9.27 C ATOM 588 CD PRO A 37 51.586 -85.624 -15.398 1.00 8.33 C ATOM 0 HA PRO A 37 54.297 -85.876 -13.698 1.00 9.18 H new ATOM 0 HB2 PRO A 37 53.826 -83.721 -15.736 1.00 11.42 H new ATOM 0 HB3 PRO A 37 54.857 -85.132 -15.870 1.00 11.42 H new ATOM 0 HG2 PRO A 37 52.533 -84.952 -17.234 1.00 9.27 H new ATOM 0 HG3 PRO A 37 53.134 -86.491 -16.651 1.00 9.27 H new ATOM 0 HD2 PRO A 37 50.895 -84.791 -15.529 1.00 8.33 H new ATOM 0 HD3 PRO A 37 51.023 -86.538 -15.585 1.00 8.33 H new ATOM 596 N PRO A 38 54.871 -83.838 -12.380 1.00 8.71 N ATOM 597 CA PRO A 38 55.137 -82.681 -11.458 1.00 9.08 C ATOM 598 C PRO A 38 55.043 -81.300 -12.125 1.00 9.28 C ATOM 599 O PRO A 38 54.691 -80.327 -11.459 1.00 6.50 O ATOM 600 CB PRO A 38 56.568 -82.922 -10.960 1.00 10.31 C ATOM 601 CG PRO A 38 56.770 -84.394 -11.054 1.00 10.81 C ATOM 602 CD PRO A 38 55.934 -84.866 -12.248 1.00 12.00 C ATOM 0 HA PRO A 38 54.382 -82.651 -10.672 1.00 9.08 H new ATOM 0 HB2 PRO A 38 57.293 -82.385 -11.571 1.00 10.31 H new ATOM 0 HB3 PRO A 38 56.693 -82.572 -9.935 1.00 10.31 H new ATOM 0 HG2 PRO A 38 57.824 -84.634 -11.198 1.00 10.81 H new ATOM 0 HG3 PRO A 38 56.453 -84.890 -10.137 1.00 10.81 H new ATOM 0 HD2 PRO A 38 56.537 -84.934 -13.154 1.00 12.00 H new ATOM 0 HD3 PRO A 38 55.511 -85.855 -12.072 1.00 12.00 H new ATOM 610 N ASP A 39 55.374 -81.189 -13.402 1.00 11.20 N ATOM 611 CA ASP A 39 55.329 -79.883 -14.060 1.00 14.96 C ATOM 612 C ASP A 39 53.896 -79.404 -14.276 1.00 13.99 C ATOM 613 O ASP A 39 53.668 -78.225 -14.548 1.00 13.75 O ATOM 614 CB ASP A 39 56.095 -79.919 -15.387 1.00 24.16 C ATOM 615 CG ASP A 39 57.594 -80.041 -15.129 1.00 31.06 C ATOM 616 OD1 ASP A 39 58.016 -79.728 -14.028 1.00 35.55 O ATOM 617 OD2 ASP A 39 58.299 -80.443 -16.040 1.00 34.22 O ATOM 0 H ASP A 39 55.670 -81.964 -13.996 1.00 11.20 H new ATOM 0 HA ASP A 39 55.814 -79.167 -13.397 1.00 14.96 H new ATOM 0 HB2 ASP A 39 55.753 -80.760 -15.990 1.00 24.16 H new ATOM 0 HB3 ASP A 39 55.890 -79.014 -15.958 1.00 24.16 H new ATOM 622 N GLN A 40 52.929 -80.316 -14.167 1.00 11.60 N ATOM 623 CA GLN A 40 51.520 -79.956 -14.367 1.00 10.76 C ATOM 624 C GLN A 40 50.800 -79.752 -13.035 1.00 8.01 C ATOM 625 O GLN A 40 49.597 -79.490 -13.007 1.00 8.96 O ATOM 626 CB GLN A 40 50.798 -81.043 -15.168 1.00 11.14 C ATOM 627 CG GLN A 40 51.306 -81.035 -16.607 1.00 14.85 C ATOM 628 CD GLN A 40 50.588 -82.105 -17.424 1.00 16.11 C ATOM 629 OE1 GLN A 40 49.684 -82.770 -16.919 1.00 20.52 O ATOM 630 NE2 GLN A 40 50.948 -82.322 -18.660 1.00 18.16 N ATOM 0 H GLN A 40 53.090 -81.298 -13.944 1.00 11.60 H new ATOM 0 HA GLN A 40 51.501 -79.017 -14.921 1.00 10.76 H new ATOM 0 HB2 GLN A 40 50.971 -82.019 -14.715 1.00 11.14 H new ATOM 0 HB3 GLN A 40 49.722 -80.869 -15.150 1.00 11.14 H new ATOM 0 HG2 GLN A 40 51.141 -80.054 -17.053 1.00 14.85 H new ATOM 0 HG3 GLN A 40 52.381 -81.215 -16.622 1.00 14.85 H new ATOM 0 HE21 GLN A 40 51.697 -81.770 -19.077 1.00 18.16 H new ATOM 0 HE22 GLN A 40 50.480 -83.043 -19.208 1.00 18.16 H new ATOM 639 N GLN A 41 51.530 -79.907 -11.933 1.00 6.52 N ATOM 640 CA GLN A 41 50.938 -79.774 -10.596 1.00 3.87 C ATOM 641 C GLN A 41 51.310 -78.467 -9.897 1.00 4.79 C ATOM 642 O GLN A 41 52.463 -78.038 -9.922 1.00 6.34 O ATOM 643 CB GLN A 41 51.445 -80.909 -9.711 1.00 4.20 C ATOM 644 CG GLN A 41 50.859 -82.242 -10.148 1.00 3.20 C ATOM 645 CD GLN A 41 51.398 -83.329 -9.230 1.00 4.89 C ATOM 646 OE1 GLN A 41 50.881 -84.442 -9.210 1.00 5.21 O ATOM 647 NE2 GLN A 41 52.415 -83.063 -8.456 1.00 7.13 N ATOM 0 H GLN A 41 52.527 -80.124 -11.934 1.00 6.52 H new ATOM 0 HA GLN A 41 49.857 -79.797 -10.736 1.00 3.87 H new ATOM 0 HB2 GLN A 41 52.533 -80.953 -9.757 1.00 4.20 H new ATOM 0 HB3 GLN A 41 51.178 -80.713 -8.673 1.00 4.20 H new ATOM 0 HG2 GLN A 41 49.770 -82.211 -10.101 1.00 3.20 H new ATOM 0 HG3 GLN A 41 51.127 -82.453 -11.183 1.00 3.20 H new ATOM 0 HE21 GLN A 41 52.842 -82.137 -8.475 1.00 7.13 H new ATOM 0 HE22 GLN A 41 52.783 -83.781 -7.832 1.00 7.13 H new ATOM 656 N ARG A 42 50.324 -77.883 -9.210 1.00 5.73 N ATOM 657 CA ARG A 42 50.536 -76.670 -8.421 1.00 6.97 C ATOM 658 C ARG A 42 49.987 -76.916 -7.017 1.00 7.15 C ATOM 659 O ARG A 42 48.812 -77.230 -6.857 1.00 7.33 O ATOM 660 CB ARG A 42 49.868 -75.456 -9.072 1.00 13.23 C ATOM 661 CG ARG A 42 49.909 -74.227 -8.164 1.00 21.27 C ATOM 662 CD ARG A 42 49.452 -73.024 -8.993 1.00 26.14 C ATOM 663 NE ARG A 42 49.344 -71.835 -8.156 1.00 32.26 N ATOM 664 CZ ARG A 42 48.822 -70.708 -8.631 1.00 34.32 C ATOM 665 NH1 ARG A 42 48.046 -70.740 -9.680 1.00 36.39 N ATOM 666 NH2 ARG A 42 49.088 -69.570 -8.050 1.00 35.30 N ATOM 0 H ARG A 42 49.367 -78.234 -9.186 1.00 5.73 H new ATOM 0 HA ARG A 42 51.602 -76.446 -8.369 1.00 6.97 H new ATOM 0 HB2 ARG A 42 50.368 -75.228 -10.014 1.00 13.23 H new ATOM 0 HB3 ARG A 42 48.832 -75.696 -9.311 1.00 13.23 H new ATOM 0 HG2 ARG A 42 49.258 -74.367 -7.301 1.00 21.27 H new ATOM 0 HG3 ARG A 42 50.917 -74.067 -7.781 1.00 21.27 H new ATOM 0 HD2 ARG A 42 50.160 -72.843 -9.802 1.00 26.14 H new ATOM 0 HD3 ARG A 42 48.488 -73.239 -9.455 1.00 26.14 H new ATOM 0 HE ARG A 42 49.674 -71.868 -7.191 1.00 32.26 H new ATOM 0 HH11 ARG A 42 47.840 -71.629 -10.135 1.00 36.39 H new ATOM 0 HH12 ARG A 42 47.645 -69.876 -10.045 1.00 36.39 H new ATOM 0 HH21 ARG A 42 49.696 -69.545 -7.232 1.00 35.30 H new ATOM 0 HH22 ARG A 42 48.688 -68.706 -8.414 1.00 35.30 H new ATOM 680 N LEU A 43 50.841 -76.803 -5.998 1.00 4.65 N ATOM 681 CA LEU A 43 50.432 -77.047 -4.607 1.00 3.51 C ATOM 682 C LEU A 43 50.243 -75.738 -3.851 1.00 5.56 C ATOM 683 O LEU A 43 51.099 -74.851 -3.879 1.00 4.19 O ATOM 684 CB LEU A 43 51.492 -77.922 -3.925 1.00 3.74 C ATOM 685 CG LEU A 43 51.524 -79.338 -4.520 1.00 6.32 C ATOM 686 CD1 LEU A 43 52.733 -80.081 -3.943 1.00 9.55 C ATOM 687 CD2 LEU A 43 50.242 -80.106 -4.147 1.00 6.41 C ATOM 0 H LEU A 43 51.822 -76.544 -6.107 1.00 4.65 H new ATOM 0 HA LEU A 43 49.472 -77.564 -4.601 1.00 3.51 H new ATOM 0 HB2 LEU A 43 52.472 -77.459 -4.034 1.00 3.74 H new ATOM 0 HB3 LEU A 43 51.284 -77.980 -2.857 1.00 3.74 H new ATOM 0 HG LEU A 43 51.593 -79.271 -5.606 1.00 6.32 H new ATOM 0 HD11 LEU A 43 52.771 -81.089 -4.355 1.00 9.55 H new ATOM 0 HD12 LEU A 43 53.647 -79.547 -4.204 1.00 9.55 H new ATOM 0 HD13 LEU A 43 52.643 -80.136 -2.858 1.00 9.55 H new ATOM 0 HD21 LEU A 43 50.280 -81.107 -4.576 1.00 6.41 H new ATOM 0 HD22 LEU A 43 50.164 -80.179 -3.062 1.00 6.41 H new ATOM 0 HD23 LEU A 43 49.374 -79.576 -4.539 1.00 6.41 H new ATOM 699 N ILE A 44 49.090 -75.630 -3.190 1.00 4.58 N ATOM 700 CA ILE A 44 48.737 -74.431 -2.432 1.00 5.55 C ATOM 701 C ILE A 44 48.315 -74.783 -1.009 1.00 5.46 C ATOM 702 O ILE A 44 47.602 -75.763 -0.782 1.00 6.04 O ATOM 703 CB ILE A 44 47.601 -73.708 -3.162 1.00 6.80 C ATOM 704 CG1 ILE A 44 48.037 -73.498 -4.634 1.00 10.31 C ATOM 705 CG2 ILE A 44 47.313 -72.362 -2.472 1.00 7.39 C ATOM 706 CD1 ILE A 44 47.328 -72.300 -5.264 1.00 13.90 C ATOM 0 H ILE A 44 48.382 -76.363 -3.165 1.00 4.58 H new ATOM 0 HA ILE A 44 49.609 -73.781 -2.362 1.00 5.55 H new ATOM 0 HB ILE A 44 46.685 -74.297 -3.134 1.00 6.80 H new ATOM 0 HG12 ILE A 44 49.116 -73.347 -4.677 1.00 10.31 H new ATOM 0 HG13 ILE A 44 47.818 -74.396 -5.211 1.00 10.31 H new ATOM 0 HG21 ILE A 44 46.504 -71.851 -2.994 1.00 7.39 H new ATOM 0 HG22 ILE A 44 47.021 -72.539 -1.437 1.00 7.39 H new ATOM 0 HG23 ILE A 44 48.209 -71.742 -2.496 1.00 7.39 H new ATOM 0 HD11 ILE A 44 47.658 -72.183 -6.296 1.00 13.90 H new ATOM 0 HD12 ILE A 44 46.250 -72.463 -5.244 1.00 13.90 H new ATOM 0 HD13 ILE A 44 47.569 -71.398 -4.702 1.00 13.90 H new ATOM 718 N PHE A 45 48.753 -73.958 -0.058 1.00 6.75 N ATOM 719 CA PHE A 45 48.413 -74.158 1.352 1.00 4.70 C ATOM 720 C PHE A 45 48.130 -72.818 2.013 1.00 6.34 C ATOM 721 O PHE A 45 48.909 -71.888 1.884 1.00 5.45 O ATOM 722 CB PHE A 45 49.555 -74.865 2.083 1.00 5.51 C ATOM 723 CG PHE A 45 49.194 -75.028 3.541 1.00 5.98 C ATOM 724 CD1 PHE A 45 48.200 -75.939 3.915 1.00 6.86 C ATOM 725 CD2 PHE A 45 49.852 -74.270 4.519 1.00 5.87 C ATOM 726 CE1 PHE A 45 47.863 -76.094 5.265 1.00 6.68 C ATOM 727 CE2 PHE A 45 49.515 -74.425 5.869 1.00 6.64 C ATOM 728 CZ PHE A 45 48.521 -75.337 6.242 1.00 6.84 C ATOM 0 H PHE A 45 49.343 -73.146 -0.237 1.00 6.75 H new ATOM 0 HA PHE A 45 47.521 -74.783 1.409 1.00 4.70 H new ATOM 0 HB2 PHE A 45 49.742 -75.840 1.632 1.00 5.51 H new ATOM 0 HB3 PHE A 45 50.475 -74.288 1.987 1.00 5.51 H new ATOM 0 HD1 PHE A 45 47.692 -76.523 3.162 1.00 6.86 H new ATOM 0 HD2 PHE A 45 50.619 -73.566 4.231 1.00 5.87 H new ATOM 0 HE1 PHE A 45 47.096 -76.797 5.553 1.00 6.68 H new ATOM 0 HE2 PHE A 45 50.022 -73.841 6.623 1.00 6.64 H new ATOM 0 HZ PHE A 45 48.261 -75.457 7.283 1.00 6.84 H new ATOM 738 N ALA A 46 47.018 -72.729 2.725 1.00 6.53 N ATOM 739 CA ALA A 46 46.649 -71.497 3.414 1.00 7.15 C ATOM 740 C ALA A 46 46.720 -70.278 2.490 1.00 9.00 C ATOM 741 O ALA A 46 47.028 -69.170 2.931 1.00 11.15 O ATOM 742 CB ALA A 46 47.543 -71.308 4.641 1.00 8.99 C ATOM 0 H ALA A 46 46.353 -73.494 2.843 1.00 6.53 H new ATOM 0 HA ALA A 46 45.611 -71.585 3.735 1.00 7.15 H new ATOM 0 HB1 ALA A 46 47.266 -70.387 5.155 1.00 8.99 H new ATOM 0 HB2 ALA A 46 47.416 -72.153 5.317 1.00 8.99 H new ATOM 0 HB3 ALA A 46 48.585 -71.249 4.326 1.00 8.99 H new ATOM 748 N GLY A 47 46.363 -70.480 1.224 1.00 9.35 N ATOM 749 CA GLY A 47 46.316 -69.373 0.265 1.00 11.68 C ATOM 750 C GLY A 47 47.660 -69.010 -0.377 1.00 11.14 C ATOM 751 O GLY A 47 47.701 -68.095 -1.200 1.00 13.93 O ATOM 0 H GLY A 47 46.104 -71.388 0.839 1.00 9.35 H new ATOM 0 HA2 GLY A 47 45.610 -69.628 -0.526 1.00 11.68 H new ATOM 0 HA3 GLY A 47 45.923 -68.491 0.771 1.00 11.68 H new ATOM 755 N LYS A 48 48.759 -69.695 -0.026 1.00 10.47 N ATOM 756 CA LYS A 48 50.073 -69.376 -0.619 1.00 8.82 C ATOM 757 C LYS A 48 50.565 -70.515 -1.512 1.00 7.68 C ATOM 758 O LYS A 48 50.418 -71.693 -1.173 1.00 6.47 O ATOM 759 CB LYS A 48 51.113 -69.101 0.485 1.00 9.74 C ATOM 760 CG LYS A 48 50.943 -70.084 1.632 1.00 14.14 C ATOM 761 CD LYS A 48 52.049 -69.861 2.663 1.00 16.32 C ATOM 762 CE LYS A 48 51.879 -70.849 3.819 1.00 20.04 C ATOM 763 NZ LYS A 48 52.852 -70.522 4.900 1.00 23.92 N ATOM 0 H LYS A 48 48.770 -70.458 0.651 1.00 10.47 H new ATOM 0 HA LYS A 48 49.951 -68.481 -1.229 1.00 8.82 H new ATOM 0 HB2 LYS A 48 52.119 -69.183 0.074 1.00 9.74 H new ATOM 0 HB3 LYS A 48 51.001 -68.081 0.853 1.00 9.74 H new ATOM 0 HG2 LYS A 48 49.966 -69.951 2.097 1.00 14.14 H new ATOM 0 HG3 LYS A 48 50.982 -71.107 1.257 1.00 14.14 H new ATOM 0 HD2 LYS A 48 53.026 -69.994 2.198 1.00 16.32 H new ATOM 0 HD3 LYS A 48 52.011 -68.838 3.037 1.00 16.32 H new ATOM 0 HE2 LYS A 48 50.861 -70.802 4.205 1.00 20.04 H new ATOM 0 HE3 LYS A 48 52.039 -71.868 3.467 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 52.820 -71.261 5.631 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 53.811 -70.472 4.501 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 52.605 -69.605 5.323 1.00 23.92 H new ATOM 777 N GLN A 49 51.161 -70.153 -2.646 1.00 8.89 N ATOM 778 CA GLN A 49 51.688 -71.150 -3.574 1.00 7.18 C ATOM 779 C GLN A 49 53.017 -71.665 -3.028 1.00 8.23 C ATOM 780 O GLN A 49 53.905 -70.876 -2.705 1.00 9.70 O ATOM 781 CB GLN A 49 51.874 -70.504 -4.949 1.00 11.67 C ATOM 782 CG GLN A 49 51.965 -71.582 -6.031 1.00 15.82 C ATOM 783 CD GLN A 49 52.105 -70.931 -7.403 1.00 20.21 C ATOM 784 OE1 GLN A 49 52.231 -71.625 -8.412 1.00 23.23 O ATOM 785 NE2 GLN A 49 52.094 -69.629 -7.500 1.00 20.67 N ATOM 0 H GLN A 49 51.290 -69.186 -2.942 1.00 8.89 H new ATOM 0 HA GLN A 49 50.999 -71.988 -3.677 1.00 7.18 H new ATOM 0 HB2 GLN A 49 51.040 -69.835 -5.161 1.00 11.67 H new ATOM 0 HB3 GLN A 49 52.779 -69.896 -4.954 1.00 11.67 H new ATOM 0 HG2 GLN A 49 52.819 -72.232 -5.838 1.00 15.82 H new ATOM 0 HG3 GLN A 49 51.075 -72.210 -6.006 1.00 15.82 H new ATOM 0 HE21 GLN A 49 51.989 -69.056 -6.663 1.00 20.67 H new ATOM 0 HE22 GLN A 49 52.190 -69.185 -8.413 1.00 20.67 H new ATOM 794 N LEU A 50 53.152 -72.985 -2.912 1.00 6.51 N ATOM 795 CA LEU A 50 54.387 -73.568 -2.385 1.00 7.41 C ATOM 796 C LEU A 50 55.421 -73.763 -3.494 1.00 8.27 C ATOM 797 O LEU A 50 55.094 -74.214 -4.591 1.00 8.34 O ATOM 798 CB LEU A 50 54.091 -74.916 -1.727 1.00 7.13 C ATOM 799 CG LEU A 50 52.923 -74.780 -0.745 1.00 7.53 C ATOM 800 CD1 LEU A 50 52.616 -76.152 -0.140 1.00 8.14 C ATOM 801 CD2 LEU A 50 53.280 -73.792 0.372 1.00 9.11 C ATOM 0 H LEU A 50 52.435 -73.663 -3.171 1.00 6.51 H new ATOM 0 HA LEU A 50 54.794 -72.878 -1.646 1.00 7.41 H new ATOM 0 HB2 LEU A 50 53.850 -75.656 -2.490 1.00 7.13 H new ATOM 0 HB3 LEU A 50 54.977 -75.275 -1.203 1.00 7.13 H new ATOM 0 HG LEU A 50 52.048 -74.405 -1.276 1.00 7.53 H new ATOM 0 HD11 LEU A 50 51.785 -76.063 0.560 1.00 8.14 H new ATOM 0 HD12 LEU A 50 52.348 -76.848 -0.935 1.00 8.14 H new ATOM 0 HD13 LEU A 50 53.496 -76.523 0.386 1.00 8.14 H new ATOM 0 HD21 LEU A 50 52.441 -73.705 1.063 1.00 9.11 H new ATOM 0 HD22 LEU A 50 54.157 -74.152 0.910 1.00 9.11 H new ATOM 0 HD23 LEU A 50 53.496 -72.815 -0.061 1.00 9.11 H new ATOM 813 N GLU A 51 56.677 -73.403 -3.197 1.00 9.43 N ATOM 814 CA GLU A 51 57.756 -73.529 -4.187 1.00 11.90 C ATOM 815 C GLU A 51 58.458 -74.885 -4.096 1.00 11.49 C ATOM 816 O GLU A 51 58.503 -75.512 -3.037 1.00 9.88 O ATOM 817 CB GLU A 51 58.770 -72.397 -4.019 1.00 16.56 C ATOM 818 CG GLU A 51 58.133 -71.077 -4.458 1.00 26.06 C ATOM 819 CD GLU A 51 59.128 -69.933 -4.297 1.00 29.86 C ATOM 820 OE1 GLU A 51 60.124 -70.132 -3.622 1.00 32.13 O ATOM 821 OE2 GLU A 51 58.879 -68.875 -4.851 1.00 33.44 O ATOM 0 H GLU A 51 56.969 -73.028 -2.294 1.00 9.43 H new ATOM 0 HA GLU A 51 57.301 -73.458 -5.175 1.00 11.90 H new ATOM 0 HB2 GLU A 51 59.090 -72.331 -2.979 1.00 16.56 H new ATOM 0 HB3 GLU A 51 59.660 -72.600 -4.614 1.00 16.56 H new ATOM 0 HG2 GLU A 51 57.813 -71.147 -5.498 1.00 26.06 H new ATOM 0 HG3 GLU A 51 57.241 -70.880 -3.863 1.00 26.06 H new ATOM 828 N ASP A 52 58.960 -75.344 -5.245 1.00 12.71 N ATOM 829 CA ASP A 52 59.613 -76.651 -5.322 1.00 16.56 C ATOM 830 C ASP A 52 60.950 -76.701 -4.564 1.00 15.83 C ATOM 831 O ASP A 52 61.432 -77.785 -4.237 1.00 17.21 O ATOM 832 CB ASP A 52 59.829 -77.034 -6.785 1.00 21.05 C ATOM 833 CG ASP A 52 58.484 -77.281 -7.452 1.00 25.12 C ATOM 834 OD1 ASP A 52 57.480 -77.153 -6.774 1.00 28.37 O ATOM 835 OD2 ASP A 52 58.478 -77.590 -8.632 1.00 25.82 O ATOM 0 H ASP A 52 58.927 -74.834 -6.128 1.00 12.71 H new ATOM 0 HA ASP A 52 58.950 -77.368 -4.838 1.00 16.56 H new ATOM 0 HB2 ASP A 52 60.363 -76.239 -7.305 1.00 21.05 H new ATOM 0 HB3 ASP A 52 60.448 -77.929 -6.850 1.00 21.05 H new ATOM 840 N GLY A 53 61.556 -75.547 -4.298 1.00 15.00 N ATOM 841 CA GLY A 53 62.849 -75.508 -3.590 1.00 11.77 C ATOM 842 C GLY A 53 62.700 -75.350 -2.068 1.00 11.10 C ATOM 843 O GLY A 53 63.703 -75.248 -1.361 1.00 11.25 O ATOM 0 H GLY A 53 61.185 -74.632 -4.555 1.00 15.00 H new ATOM 0 HA2 GLY A 53 63.400 -76.424 -3.802 1.00 11.77 H new ATOM 0 HA3 GLY A 53 63.444 -74.681 -3.978 1.00 11.77 H new ATOM 847 N ARG A 54 61.472 -75.346 -1.561 1.00 8.53 N ATOM 848 CA ARG A 54 61.250 -75.215 -0.103 1.00 9.05 C ATOM 849 C ARG A 54 60.748 -76.540 0.504 1.00 8.96 C ATOM 850 O ARG A 54 60.325 -77.444 -0.221 1.00 11.60 O ATOM 851 CB ARG A 54 60.216 -74.119 0.161 1.00 7.97 C ATOM 852 CG ARG A 54 60.692 -72.740 -0.323 1.00 9.62 C ATOM 853 CD ARG A 54 62.003 -72.334 0.356 1.00 12.20 C ATOM 854 NE ARG A 54 62.225 -70.901 0.197 1.00 18.23 N ATOM 855 CZ ARG A 54 63.187 -70.277 0.869 1.00 22.08 C ATOM 856 NH1 ARG A 54 64.310 -70.893 1.123 1.00 23.38 N ATOM 857 NH2 ARG A 54 63.008 -69.050 1.278 1.00 25.50 N ATOM 0 H ARG A 54 60.621 -75.430 -2.116 1.00 8.53 H new ATOM 0 HA ARG A 54 62.200 -74.957 0.364 1.00 9.05 H new ATOM 0 HB2 ARG A 54 59.282 -74.375 -0.340 1.00 7.97 H new ATOM 0 HB3 ARG A 54 60.003 -74.073 1.229 1.00 7.97 H new ATOM 0 HG2 ARG A 54 60.831 -72.760 -1.404 1.00 9.62 H new ATOM 0 HG3 ARG A 54 59.925 -71.994 -0.114 1.00 9.62 H new ATOM 0 HD2 ARG A 54 61.968 -72.589 1.415 1.00 12.20 H new ATOM 0 HD3 ARG A 54 62.834 -72.889 -0.078 1.00 12.20 H new ATOM 0 HE ARG A 54 61.632 -70.369 -0.440 1.00 18.23 H new ATOM 0 HH11 ARG A 54 64.448 -71.852 0.806 1.00 23.38 H new ATOM 0 HH12 ARG A 54 65.049 -70.415 1.639 1.00 23.38 H new ATOM 0 HH21 ARG A 54 62.130 -68.570 1.082 1.00 25.50 H new ATOM 0 HH22 ARG A 54 63.747 -68.571 1.794 1.00 25.50 H new ATOM 871 N THR A 55 60.802 -76.646 1.850 1.00 9.05 N ATOM 872 CA THR A 55 60.349 -77.864 2.557 1.00 9.03 C ATOM 873 C THR A 55 59.019 -77.639 3.275 1.00 8.15 C ATOM 874 O THR A 55 58.570 -76.509 3.459 1.00 5.91 O ATOM 875 CB THR A 55 61.348 -78.307 3.633 1.00 11.15 C ATOM 876 OG1 THR A 55 61.415 -77.321 4.655 1.00 11.95 O ATOM 877 CG2 THR A 55 62.735 -78.499 3.017 1.00 11.71 C ATOM 0 H THR A 55 61.151 -75.910 2.464 1.00 9.05 H new ATOM 0 HA THR A 55 60.252 -78.625 1.783 1.00 9.03 H new ATOM 0 HB THR A 55 61.014 -79.253 4.059 1.00 11.15 H new ATOM 0 HG1 THR A 55 61.249 -77.740 5.525 1.00 11.95 H new ATOM 0 HG21 THR A 55 63.436 -78.813 3.790 1.00 11.71 H new ATOM 0 HG22 THR A 55 62.686 -79.262 2.240 1.00 11.71 H new ATOM 0 HG23 THR A 55 63.073 -77.559 2.581 1.00 11.71 H new ATOM 885 N LEU A 56 58.417 -78.753 3.710 1.00 6.91 N ATOM 886 CA LEU A 56 57.155 -78.694 4.456 1.00 8.29 C ATOM 887 C LEU A 56 57.332 -77.884 5.740 1.00 8.05 C ATOM 888 O LEU A 56 56.476 -77.068 6.082 1.00 10.17 O ATOM 889 CB LEU A 56 56.669 -80.101 4.837 1.00 6.60 C ATOM 890 CG LEU A 56 56.380 -80.947 3.592 1.00 7.73 C ATOM 891 CD1 LEU A 56 56.050 -82.375 4.035 1.00 9.85 C ATOM 892 CD2 LEU A 56 55.183 -80.371 2.822 1.00 8.64 C ATOM 0 H LEU A 56 58.778 -79.695 3.560 1.00 6.91 H new ATOM 0 HA LEU A 56 56.418 -78.218 3.809 1.00 8.29 H new ATOM 0 HB2 LEU A 56 57.424 -80.596 5.448 1.00 6.60 H new ATOM 0 HB3 LEU A 56 55.767 -80.024 5.445 1.00 6.60 H new ATOM 0 HG LEU A 56 57.254 -80.941 2.941 1.00 7.73 H new ATOM 0 HD11 LEU A 56 55.842 -82.989 3.159 1.00 9.85 H new ATOM 0 HD12 LEU A 56 56.898 -82.793 4.578 1.00 9.85 H new ATOM 0 HD13 LEU A 56 55.175 -82.361 4.685 1.00 9.85 H new ATOM 0 HD21 LEU A 56 54.989 -80.982 1.940 1.00 8.64 H new ATOM 0 HD22 LEU A 56 54.303 -80.372 3.465 1.00 8.64 H new ATOM 0 HD23 LEU A 56 55.406 -79.350 2.514 1.00 8.64 H new ATOM 904 N SER A 57 58.434 -78.123 6.471 1.00 8.92 N ATOM 905 CA SER A 57 58.649 -77.402 7.724 1.00 9.00 C ATOM 906 C SER A 57 58.767 -75.899 7.500 1.00 9.44 C ATOM 907 O SER A 57 58.411 -75.106 8.372 1.00 10.91 O ATOM 908 CB SER A 57 59.886 -77.907 8.469 1.00 10.32 C ATOM 909 OG SER A 57 61.035 -77.703 7.655 1.00 13.59 O ATOM 0 H SER A 57 59.165 -78.789 6.222 1.00 8.92 H new ATOM 0 HA SER A 57 57.770 -77.595 8.339 1.00 9.00 H new ATOM 0 HB2 SER A 57 59.997 -77.378 9.416 1.00 10.32 H new ATOM 0 HB3 SER A 57 59.776 -78.965 8.706 1.00 10.32 H new ATOM 0 HG SER A 57 61.832 -78.023 8.127 1.00 13.59 H new ATOM 915 N ASP A 58 59.270 -75.508 6.343 1.00 9.11 N ATOM 916 CA ASP A 58 59.428 -74.089 6.050 1.00 7.91 C ATOM 917 C ASP A 58 58.068 -73.402 6.024 1.00 9.12 C ATOM 918 O ASP A 58 57.961 -72.206 6.295 1.00 8.61 O ATOM 919 CB ASP A 58 60.127 -73.902 4.702 1.00 8.41 C ATOM 920 CG ASP A 58 61.587 -74.329 4.806 1.00 11.50 C ATOM 921 OD1 ASP A 58 62.091 -74.381 5.916 1.00 10.05 O ATOM 922 OD2 ASP A 58 62.180 -74.596 3.774 1.00 11.70 O ATOM 0 H ASP A 58 59.572 -76.138 5.600 1.00 9.11 H new ATOM 0 HA ASP A 58 60.039 -73.639 6.833 1.00 7.91 H new ATOM 0 HB2 ASP A 58 59.621 -74.491 3.936 1.00 8.41 H new ATOM 0 HB3 ASP A 58 60.066 -72.858 4.394 1.00 8.41 H new ATOM 927 N TYR A 59 57.025 -74.165 5.690 1.00 7.97 N ATOM 928 CA TYR A 59 55.667 -73.618 5.626 1.00 8.45 C ATOM 929 C TYR A 59 54.870 -73.952 6.887 1.00 10.98 C ATOM 930 O TYR A 59 53.648 -73.808 6.909 1.00 12.95 O ATOM 931 CB TYR A 59 54.918 -74.164 4.415 1.00 7.94 C ATOM 932 CG TYR A 59 55.582 -73.676 3.150 1.00 6.91 C ATOM 933 CD1 TYR A 59 55.572 -72.313 2.828 1.00 4.59 C ATOM 934 CD2 TYR A 59 56.212 -74.591 2.297 1.00 6.98 C ATOM 935 CE1 TYR A 59 56.192 -71.868 1.653 1.00 5.39 C ATOM 936 CE2 TYR A 59 56.827 -74.148 1.128 1.00 6.52 C ATOM 937 CZ TYR A 59 56.818 -72.786 0.802 1.00 6.76 C ATOM 938 OH TYR A 59 57.429 -72.349 -0.355 1.00 7.63 O ATOM 0 H TYR A 59 57.093 -75.157 5.461 1.00 7.97 H new ATOM 0 HA TYR A 59 55.765 -72.536 5.541 1.00 8.45 H new ATOM 0 HB2 TYR A 59 54.913 -75.254 4.438 1.00 7.94 H new ATOM 0 HB3 TYR A 59 53.878 -73.839 4.441 1.00 7.94 H new ATOM 0 HD1 TYR A 59 55.087 -71.606 3.485 1.00 4.59 H new ATOM 0 HD2 TYR A 59 56.221 -75.642 2.546 1.00 6.98 H new ATOM 0 HE1 TYR A 59 56.187 -70.817 1.404 1.00 5.39 H new ATOM 0 HE2 TYR A 59 57.312 -74.856 0.472 1.00 6.52 H new ATOM 0 HH TYR A 59 57.761 -71.436 -0.225 1.00 7.63 H new ATOM 948 N ASN A 60 55.568 -74.394 7.936 1.00 12.38 N ATOM 949 CA ASN A 60 54.946 -74.743 9.212 1.00 13.94 C ATOM 950 C ASN A 60 53.752 -75.678 9.034 1.00 14.16 C ATOM 951 O ASN A 60 52.750 -75.554 9.737 1.00 14.26 O ATOM 952 CB ASN A 60 54.516 -73.486 9.975 1.00 19.23 C ATOM 953 CG ASN A 60 53.304 -72.849 9.304 1.00 22.65 C ATOM 954 OD1 ASN A 60 53.456 -71.999 8.427 1.00 25.45 O ATOM 955 ND2 ASN A 60 52.103 -73.214 9.662 1.00 24.09 N ATOM 0 H ASN A 60 56.580 -74.519 7.923 1.00 12.38 H new ATOM 0 HA ASN A 60 55.701 -75.272 9.794 1.00 13.94 H new ATOM 0 HB2 ASN A 60 54.276 -73.743 11.007 1.00 19.23 H new ATOM 0 HB3 ASN A 60 55.339 -72.772 10.007 1.00 19.23 H new ATOM 0 HD21 ASN A 60 51.288 -72.795 9.215 1.00 24.09 H new ATOM 0 HD22 ASN A 60 51.980 -73.919 10.389 1.00 24.09 H new ATOM 962 N ILE A 61 53.873 -76.629 8.115 1.00 11.08 N ATOM 963 CA ILE A 61 52.799 -77.595 7.888 1.00 11.78 C ATOM 964 C ILE A 61 52.915 -78.688 8.949 1.00 13.74 C ATOM 965 O ILE A 61 53.975 -79.292 9.114 1.00 14.60 O ATOM 966 CB ILE A 61 52.907 -78.139 6.458 1.00 11.80 C ATOM 967 CG1 ILE A 61 52.635 -76.989 5.489 1.00 11.56 C ATOM 968 CG2 ILE A 61 51.873 -79.241 6.220 1.00 13.29 C ATOM 969 CD1 ILE A 61 52.941 -77.421 4.054 1.00 11.42 C ATOM 0 H ILE A 61 54.692 -76.753 7.520 1.00 11.08 H new ATOM 0 HA ILE A 61 51.814 -77.137 7.980 1.00 11.78 H new ATOM 0 HB ILE A 61 53.902 -78.556 6.304 1.00 11.80 H new ATOM 0 HG12 ILE A 61 51.594 -76.677 5.568 1.00 11.56 H new ATOM 0 HG13 ILE A 61 53.247 -76.127 5.755 1.00 11.56 H new ATOM 0 HG21 ILE A 61 51.966 -79.613 5.200 1.00 13.29 H new ATOM 0 HG22 ILE A 61 52.044 -80.058 6.921 1.00 13.29 H new ATOM 0 HG23 ILE A 61 50.871 -78.838 6.369 1.00 13.29 H new ATOM 0 HD11 ILE A 61 52.743 -76.592 3.374 1.00 11.42 H new ATOM 0 HD12 ILE A 61 53.989 -77.711 3.977 1.00 11.42 H new ATOM 0 HD13 ILE A 61 52.310 -78.268 3.787 1.00 11.42 H new ATOM 981 N GLN A 62 51.829 -78.907 9.707 1.00 13.97 N ATOM 982 CA GLN A 62 51.816 -79.888 10.801 1.00 15.52 C ATOM 983 C GLN A 62 50.998 -81.133 10.448 1.00 13.94 C ATOM 984 O GLN A 62 50.300 -81.176 9.435 1.00 12.15 O ATOM 985 CB GLN A 62 51.223 -79.215 12.040 1.00 19.53 C ATOM 986 CG GLN A 62 52.207 -78.171 12.573 1.00 26.38 C ATOM 987 CD GLN A 62 51.629 -77.492 13.810 1.00 30.61 C ATOM 988 OE1 GLN A 62 51.843 -76.298 14.022 1.00 33.23 O ATOM 989 NE2 GLN A 62 50.907 -78.186 14.646 1.00 32.71 N ATOM 0 H GLN A 62 50.945 -78.415 9.580 1.00 13.97 H new ATOM 0 HA GLN A 62 52.838 -80.218 10.986 1.00 15.52 H new ATOM 0 HB2 GLN A 62 50.273 -78.742 11.791 1.00 19.53 H new ATOM 0 HB3 GLN A 62 51.016 -79.960 12.808 1.00 19.53 H new ATOM 0 HG2 GLN A 62 53.156 -78.647 12.819 1.00 26.38 H new ATOM 0 HG3 GLN A 62 52.413 -77.428 11.803 1.00 26.38 H new ATOM 0 HE21 GLN A 62 50.731 -79.175 14.469 1.00 32.71 H new ATOM 0 HE22 GLN A 62 50.519 -77.740 15.477 1.00 32.71 H new ATOM 998 N LYS A 63 51.130 -82.153 11.295 1.00 11.73 N ATOM 999 CA LYS A 63 50.423 -83.406 11.041 1.00 11.97 C ATOM 1000 C LYS A 63 48.934 -83.171 10.788 1.00 10.41 C ATOM 1001 O LYS A 63 48.307 -82.311 11.407 1.00 9.59 O ATOM 1002 CB LYS A 63 50.567 -84.406 12.190 1.00 13.73 C ATOM 1003 CG LYS A 63 50.087 -83.755 13.489 1.00 16.98 C ATOM 1004 CD LYS A 63 50.298 -84.726 14.652 1.00 20.19 C ATOM 1005 CE LYS A 63 49.626 -84.174 15.911 1.00 23.42 C ATOM 1006 NZ LYS A 63 49.742 -85.172 17.011 1.00 25.97 N ATOM 0 H LYS A 63 51.702 -82.140 12.139 1.00 11.73 H new ATOM 0 HA LYS A 63 50.888 -83.826 10.149 1.00 11.97 H new ATOM 0 HB2 LYS A 63 49.984 -85.303 11.982 1.00 13.73 H new ATOM 0 HB3 LYS A 63 51.607 -84.718 12.288 1.00 13.73 H new ATOM 0 HG2 LYS A 63 50.635 -82.830 13.669 1.00 16.98 H new ATOM 0 HG3 LYS A 63 49.033 -83.491 13.408 1.00 16.98 H new ATOM 0 HD2 LYS A 63 49.882 -85.702 14.404 1.00 20.19 H new ATOM 0 HD3 LYS A 63 51.364 -84.870 14.830 1.00 20.19 H new ATOM 0 HE2 LYS A 63 50.095 -83.235 16.206 1.00 23.42 H new ATOM 0 HE3 LYS A 63 48.577 -83.957 15.711 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 49.286 -84.799 17.868 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 49.275 -86.057 16.728 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 50.746 -85.358 17.207 1.00 25.97 H new ATOM 1020 N GLU A 64 48.395 -83.944 9.848 1.00 10.04 N ATOM 1021 CA GLU A 64 46.990 -83.853 9.449 1.00 10.94 C ATOM 1022 C GLU A 64 46.658 -82.537 8.758 1.00 9.74 C ATOM 1023 O GLU A 64 45.491 -82.152 8.689 1.00 9.42 O ATOM 1024 CB GLU A 64 45.999 -84.063 10.597 1.00 18.31 C ATOM 1025 CG GLU A 64 46.131 -85.492 11.129 1.00 24.16 C ATOM 1026 CD GLU A 64 44.990 -85.786 12.098 1.00 29.00 C ATOM 1027 OE1 GLU A 64 44.333 -84.845 12.511 1.00 31.72 O ATOM 1028 OE2 GLU A 64 44.791 -86.948 12.411 1.00 32.61 O ATOM 0 H GLU A 64 48.921 -84.654 9.339 1.00 10.04 H new ATOM 0 HA GLU A 64 46.873 -84.676 8.744 1.00 10.94 H new ATOM 0 HB2 GLU A 64 46.194 -83.347 11.395 1.00 18.31 H new ATOM 0 HB3 GLU A 64 44.981 -83.885 10.250 1.00 18.31 H new ATOM 0 HG2 GLU A 64 46.111 -86.202 10.302 1.00 24.16 H new ATOM 0 HG3 GLU A 64 47.090 -85.616 11.632 1.00 24.16 H new ATOM 1035 N SER A 65 47.656 -81.885 8.179 1.00 6.85 N ATOM 1036 CA SER A 65 47.425 -80.664 7.421 1.00 6.90 C ATOM 1037 C SER A 65 46.873 -81.053 6.057 1.00 4.72 C ATOM 1038 O SER A 65 47.197 -82.117 5.529 1.00 3.91 O ATOM 1039 CB SER A 65 48.726 -79.888 7.260 1.00 7.28 C ATOM 1040 OG SER A 65 49.092 -79.311 8.506 1.00 10.56 O ATOM 0 H SER A 65 48.631 -82.180 8.219 1.00 6.85 H new ATOM 0 HA SER A 65 46.715 -80.025 7.946 1.00 6.90 H new ATOM 0 HB2 SER A 65 49.516 -80.551 6.908 1.00 7.28 H new ATOM 0 HB3 SER A 65 48.606 -79.109 6.508 1.00 7.28 H new ATOM 0 HG SER A 65 49.267 -80.022 9.157 1.00 10.56 H new ATOM 1046 N THR A 66 46.037 -80.183 5.482 1.00 4.48 N ATOM 1047 CA THR A 66 45.445 -80.440 4.169 1.00 3.80 C ATOM 1048 C THR A 66 46.030 -79.478 3.136 1.00 4.60 C ATOM 1049 O THR A 66 45.983 -78.259 3.299 1.00 5.33 O ATOM 1050 CB THR A 66 43.926 -80.254 4.225 1.00 2.85 C ATOM 1051 OG1 THR A 66 43.375 -81.162 5.169 1.00 2.15 O ATOM 1052 CG2 THR A 66 43.327 -80.527 2.844 1.00 3.40 C ATOM 0 H THR A 66 45.757 -79.298 5.905 1.00 4.48 H new ATOM 0 HA THR A 66 45.672 -81.467 3.883 1.00 3.80 H new ATOM 0 HB THR A 66 43.695 -79.232 4.524 1.00 2.85 H new ATOM 0 HG1 THR A 66 42.403 -81.044 5.208 1.00 2.15 H new ATOM 0 HG21 THR A 66 42.246 -80.395 2.884 1.00 3.40 H new ATOM 0 HG22 THR A 66 43.751 -79.832 2.119 1.00 3.40 H new ATOM 0 HG23 THR A 66 43.557 -81.549 2.543 1.00 3.40 H new ATOM 1060 N LEU A 67 46.541 -80.055 2.053 1.00 4.17 N ATOM 1061 CA LEU A 67 47.102 -79.295 0.939 1.00 3.85 C ATOM 1062 C LEU A 67 46.086 -79.316 -0.194 1.00 3.80 C ATOM 1063 O LEU A 67 45.239 -80.205 -0.274 1.00 5.54 O ATOM 1064 CB LEU A 67 48.419 -79.950 0.474 1.00 7.18 C ATOM 1065 CG LEU A 67 49.610 -79.357 1.227 1.00 9.67 C ATOM 1066 CD1 LEU A 67 49.385 -79.468 2.738 1.00 8.12 C ATOM 1067 CD2 LEU A 67 50.895 -80.099 0.832 1.00 11.66 C ATOM 0 H LEU A 67 46.578 -81.066 1.922 1.00 4.17 H new ATOM 0 HA LEU A 67 47.314 -78.270 1.242 1.00 3.85 H new ATOM 0 HB2 LEU A 67 48.375 -81.026 0.642 1.00 7.18 H new ATOM 0 HB3 LEU A 67 48.548 -79.799 -0.598 1.00 7.18 H new ATOM 0 HG LEU A 67 49.709 -78.304 0.963 1.00 9.67 H new ATOM 0 HD11 LEU A 67 50.239 -79.043 3.265 1.00 8.12 H new ATOM 0 HD12 LEU A 67 48.481 -78.924 3.012 1.00 8.12 H new ATOM 0 HD13 LEU A 67 49.274 -80.517 3.013 1.00 8.12 H new ATOM 0 HD21 LEU A 67 51.741 -79.673 1.371 1.00 11.66 H new ATOM 0 HD22 LEU A 67 50.798 -81.155 1.085 1.00 11.66 H new ATOM 0 HD23 LEU A 67 51.059 -79.996 -0.241 1.00 11.66 H new ATOM 1079 N HIS A 68 46.187 -78.325 -1.083 1.00 2.94 N ATOM 1080 CA HIS A 68 45.297 -78.219 -2.233 1.00 4.17 C ATOM 1081 C HIS A 68 46.117 -78.392 -3.503 1.00 5.32 C ATOM 1082 O HIS A 68 47.158 -77.754 -3.669 1.00 7.70 O ATOM 1083 CB HIS A 68 44.629 -76.841 -2.252 1.00 5.57 C ATOM 1084 CG HIS A 68 43.717 -76.693 -1.069 1.00 9.95 C ATOM 1085 ND1 HIS A 68 44.162 -76.177 0.136 1.00 13.74 N ATOM 1086 CD2 HIS A 68 42.386 -76.977 -0.888 1.00 12.79 C ATOM 1087 CE1 HIS A 68 43.120 -76.165 0.983 1.00 14.75 C ATOM 1088 NE2 HIS A 68 42.010 -76.643 0.411 1.00 16.30 N ATOM 0 H HIS A 68 46.883 -77.581 -1.024 1.00 2.94 H new ATOM 0 HA HIS A 68 44.528 -78.989 -2.170 1.00 4.17 H new ATOM 0 HB2 HIS A 68 45.389 -76.060 -2.235 1.00 5.57 H new ATOM 0 HB3 HIS A 68 44.063 -76.715 -3.175 1.00 5.57 H new ATOM 0 HD2 HIS A 68 41.731 -77.395 -1.638 1.00 12.79 H new ATOM 0 HE1 HIS A 68 43.172 -75.812 2.002 1.00 14.75 H new ATOM 0 HE2 HIS A 68 41.087 -76.742 0.834 1.00 16.30 H new ATOM 1096 N LEU A 69 45.650 -79.254 -4.402 1.00 5.29 N ATOM 1097 CA LEU A 69 46.351 -79.505 -5.661 1.00 3.97 C ATOM 1098 C LEU A 69 45.593 -78.818 -6.789 1.00 5.07 C ATOM 1099 O LEU A 69 44.376 -78.966 -6.907 1.00 4.34 O ATOM 1100 CB LEU A 69 46.406 -81.020 -5.940 1.00 6.08 C ATOM 1101 CG LEU A 69 47.135 -81.337 -7.256 1.00 7.37 C ATOM 1102 CD1 LEU A 69 48.643 -81.138 -7.092 1.00 6.87 C ATOM 1103 CD2 LEU A 69 46.863 -82.795 -7.637 1.00 9.96 C ATOM 0 H LEU A 69 44.791 -79.791 -4.284 1.00 5.29 H new ATOM 0 HA LEU A 69 47.367 -79.116 -5.595 1.00 3.97 H new ATOM 0 HB2 LEU A 69 46.912 -81.522 -5.115 1.00 6.08 H new ATOM 0 HB3 LEU A 69 45.392 -81.418 -5.982 1.00 6.08 H new ATOM 0 HG LEU A 69 46.771 -80.666 -8.034 1.00 7.37 H new ATOM 0 HD11 LEU A 69 49.145 -81.366 -8.032 1.00 6.87 H new ATOM 0 HD12 LEU A 69 48.845 -80.103 -6.815 1.00 6.87 H new ATOM 0 HD13 LEU A 69 49.015 -81.802 -6.312 1.00 6.87 H new ATOM 0 HD21 LEU A 69 47.376 -83.029 -8.570 1.00 9.96 H new ATOM 0 HD22 LEU A 69 47.228 -83.452 -6.847 1.00 9.96 H new ATOM 0 HD23 LEU A 69 45.791 -82.943 -7.766 1.00 9.96 H new ATOM 1115 N VAL A 70 46.321 -78.072 -7.636 1.00 4.29 N ATOM 1116 CA VAL A 70 45.758 -77.361 -8.778 1.00 6.26 C ATOM 1117 C VAL A 70 46.441 -77.877 -10.034 1.00 9.22 C ATOM 1118 O VAL A 70 47.606 -78.272 -10.015 1.00 9.36 O ATOM 1119 CB VAL A 70 45.978 -75.849 -8.593 1.00 8.69 C ATOM 1120 CG1 VAL A 70 46.000 -75.108 -9.938 1.00 9.76 C ATOM 1121 CG2 VAL A 70 44.858 -75.273 -7.731 1.00 8.54 C ATOM 0 H VAL A 70 47.329 -77.949 -7.539 1.00 4.29 H new ATOM 0 HA VAL A 70 44.685 -77.531 -8.862 1.00 6.26 H new ATOM 0 HB VAL A 70 46.945 -75.712 -8.109 1.00 8.69 H new ATOM 0 HG11 VAL A 70 46.157 -74.043 -9.764 1.00 9.76 H new ATOM 0 HG12 VAL A 70 46.809 -75.499 -10.555 1.00 9.76 H new ATOM 0 HG13 VAL A 70 45.049 -75.255 -10.450 1.00 9.76 H new ATOM 0 HG21 VAL A 70 45.014 -74.202 -7.600 1.00 8.54 H new ATOM 0 HG22 VAL A 70 43.899 -75.443 -8.220 1.00 8.54 H new ATOM 0 HG23 VAL A 70 44.861 -75.762 -6.757 1.00 8.54 H new ATOM 1131 N LEU A 71 45.685 -77.872 -11.122 1.00 12.71 N ATOM 1132 CA LEU A 71 46.179 -78.342 -12.415 1.00 16.06 C ATOM 1133 C LEU A 71 46.457 -77.154 -13.327 1.00 18.09 C ATOM 1134 O LEU A 71 45.701 -76.183 -13.348 1.00 19.26 O ATOM 1135 CB LEU A 71 45.141 -79.259 -13.068 1.00 17.10 C ATOM 1136 CG LEU A 71 44.751 -80.379 -12.096 1.00 19.37 C ATOM 1137 CD1 LEU A 71 43.713 -81.287 -12.761 1.00 17.51 C ATOM 1138 CD2 LEU A 71 45.992 -81.206 -11.722 1.00 19.57 C ATOM 0 H LEU A 71 44.719 -77.545 -11.138 1.00 12.71 H new ATOM 0 HA LEU A 71 47.103 -78.899 -12.259 1.00 16.06 H new ATOM 0 HB2 LEU A 71 44.258 -78.683 -13.347 1.00 17.10 H new ATOM 0 HB3 LEU A 71 45.546 -79.686 -13.985 1.00 17.10 H new ATOM 0 HG LEU A 71 44.330 -79.940 -11.191 1.00 19.37 H new ATOM 0 HD11 LEU A 71 43.433 -82.085 -12.073 1.00 17.51 H new ATOM 0 HD12 LEU A 71 42.829 -80.703 -13.018 1.00 17.51 H new ATOM 0 HD13 LEU A 71 44.136 -81.721 -13.667 1.00 17.51 H new ATOM 0 HD21 LEU A 71 45.706 -81.999 -11.031 1.00 19.57 H new ATOM 0 HD22 LEU A 71 46.421 -81.646 -12.622 1.00 19.57 H new ATOM 0 HD23 LEU A 71 46.730 -80.560 -11.247 1.00 19.57 H new ATOM 1150 N ARG A 72 47.555 -77.237 -14.075 1.00 21.47 N ATOM 1151 CA ARG A 72 47.951 -76.170 -14.989 1.00 25.83 C ATOM 1152 C ARG A 72 48.005 -76.702 -16.419 1.00 27.74 C ATOM 1153 O ARG A 72 48.506 -77.799 -16.664 1.00 30.65 O ATOM 1154 CB ARG A 72 49.334 -75.655 -14.586 1.00 28.49 C ATOM 1155 CG ARG A 72 49.827 -74.636 -15.612 1.00 31.79 C ATOM 1156 CD ARG A 72 51.082 -73.948 -15.080 1.00 34.05 C ATOM 1157 NE ARG A 72 51.703 -73.144 -16.135 1.00 35.08 N ATOM 1158 CZ ARG A 72 53.012 -73.201 -16.379 1.00 34.67 C ATOM 1159 NH1 ARG A 72 53.570 -74.345 -16.666 1.00 35.02 N ATOM 1160 NH2 ARG A 72 53.734 -72.114 -16.331 1.00 34.97 N ATOM 0 H ARG A 72 48.188 -78.036 -14.065 1.00 21.47 H new ATOM 0 HA ARG A 72 47.223 -75.360 -14.938 1.00 25.83 H new ATOM 0 HB2 ARG A 72 49.288 -75.197 -13.598 1.00 28.49 H new ATOM 0 HB3 ARG A 72 50.036 -76.486 -14.519 1.00 28.49 H new ATOM 0 HG2 ARG A 72 50.044 -75.132 -16.558 1.00 31.79 H new ATOM 0 HG3 ARG A 72 49.050 -73.898 -15.810 1.00 31.79 H new ATOM 0 HD2 ARG A 72 50.826 -73.313 -14.232 1.00 34.05 H new ATOM 0 HD3 ARG A 72 51.789 -74.694 -14.717 1.00 34.05 H new ATOM 0 HE ARG A 72 51.119 -72.525 -16.697 1.00 35.08 H new ATOM 0 HH11 ARG A 72 53.005 -75.193 -16.703 1.00 35.02 H new ATOM 0 HH12 ARG A 72 54.572 -74.391 -16.853 1.00 35.02 H new ATOM 0 HH21 ARG A 72 53.296 -71.220 -16.107 1.00 34.97 H new ATOM 0 HH22 ARG A 72 54.736 -72.158 -16.518 1.00 34.97 H new