USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot -89:sc= 0.795 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.833 K(o=1.6,f=0) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= -0.0458 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 2.44 (180deg=2.19) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 0.847 (180deg=0.158) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 1.33 (180deg=1.25) USER MOD Single : A 29 LYS NZ :NH3+ 151:sc= 1.22 (180deg=1.14) USER MOD Single : A 31 GLN : amide:sc= -0.0973 K(o=-0.097,f=-1.3) 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=-1.2) USER MOD Single : A 41 GLN : amide:sc= 0.624 K(o=0.62,f=-4.6!) USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= -0.0852 (180deg=-0.317) USER MOD Single : A 49 GLN : amide:sc= -0.27 K(o=-0.27,f=-2.1!) USER MOD Single : A 55 THR OG1 : rot -77:sc= 1.23 USER MOD Single : A 57 SER OG : rot 71:sc= 0.0406 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.0834 USER MOD Single : A 60 ASN : amide:sc=-0.00692 X(o=-0.0069,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.498 K(o=0.5,f=-0.16) USER MOD Single : A 63 LYS NZ :NH3+ 166:sc=-0.00957 (180deg=-0.219) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.341 -7.410 -5.211 1.00 9.67 N ATOM 2 CA MET A 1 11.200 -7.273 -3.696 1.00 10.38 C ATOM 3 C MET A 1 9.800 -7.644 -3.238 1.00 9.62 C ATOM 4 O MET A 1 8.831 -7.416 -3.920 1.00 9.62 O ATOM 5 CB MET A 1 11.501 -5.771 -3.305 1.00 13.77 C ATOM 6 CG MET A 1 11.481 -5.539 -1.790 1.00 16.29 C ATOM 7 SD MET A 1 12.126 -3.857 -1.378 1.00 17.17 S ATOM 8 CE MET A 1 10.480 -3.073 -1.311 1.00 16.11 C ATOM 0 H1 MET A 1 12.346 -7.350 -5.473 1.00 9.67 H new ATOM 0 H2 MET A 1 10.958 -8.328 -5.514 1.00 9.67 H new ATOM 0 H3 MET A 1 10.815 -6.645 -5.679 1.00 9.67 H new ATOM 0 HA MET A 1 11.902 -7.950 -3.209 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.476 -5.486 -3.699 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.764 -5.122 -3.778 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.463 -5.646 -1.414 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.086 -6.298 -1.293 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.590 -2.015 -1.071 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.988 -3.176 -2.278 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.877 -3.558 -0.544 1.00 16.11 H new ATOM 20 N GLN A 2 9.705 -8.323 -2.115 1.00 9.27 N ATOM 21 CA GLN A 2 8.418 -8.643 -1.515 1.00 9.07 C ATOM 22 C GLN A 2 8.025 -7.860 -0.239 1.00 8.72 C ATOM 23 O GLN A 2 8.846 -7.550 0.626 1.00 8.22 O ATOM 24 CB GLN A 2 8.364 -10.135 -1.332 1.00 14.46 C ATOM 25 CG GLN A 2 9.107 -10.624 -0.089 1.00 17.01 C ATOM 26 CD GLN A 2 9.236 -12.157 -0.052 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.167 -12.785 -0.085 1.00 21.89 O ATOM 28 NE2 GLN A 2 10.432 -12.766 -0.019 1.00 19.49 N ATOM 0 H GLN A 2 10.509 -8.669 -1.591 1.00 9.27 H new ATOM 0 HA GLN A 2 7.649 -8.298 -2.206 1.00 9.07 H new ATOM 0 HB2 GLN A 2 7.322 -10.448 -1.269 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.789 -10.617 -2.213 1.00 14.46 H new ATOM 0 HG2 GLN A 2 10.101 -10.177 -0.063 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.581 -10.284 0.803 1.00 17.01 H new ATOM 0 HE21 GLN A 2 11.287 -12.210 0.008 1.00 19.49 H new ATOM 0 HE22 GLN A 2 10.486 -13.785 -0.020 1.00 19.49 H new ATOM 37 N ILE A 3 6.744 -7.557 -0.073 1.00 5.87 N ATOM 38 CA ILE A 3 6.276 -6.787 1.126 1.00 5.07 C ATOM 39 C ILE A 3 5.016 -7.528 1.350 1.00 4.01 C ATOM 40 O ILE A 3 4.476 -8.268 0.527 1.00 4.61 O ATOM 41 CB ILE A 3 6.126 -5.307 0.883 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.266 -5.029 -0.396 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.489 -4.593 0.868 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.057 -3.619 -0.817 1.00 10.83 C ATOM 0 H ILE A 3 6.005 -7.816 -0.726 1.00 5.87 H new ATOM 0 HA ILE A 3 6.952 -6.753 1.981 1.00 5.07 H new ATOM 0 HB ILE A 3 5.577 -4.878 1.721 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.729 -5.558 -1.229 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.285 -5.477 -0.240 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.340 -3.528 0.690 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.985 -4.735 1.828 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.109 -5.010 0.075 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.442 -3.595 -1.717 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.554 -3.072 -0.020 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.021 -3.154 -1.024 1.00 10.83 H new ATOM 56 N PHE A 4 4.525 -7.251 2.552 1.00 4.55 N ATOM 57 CA PHE A 4 3.274 -7.849 3.077 1.00 4.68 C ATOM 58 C PHE A 4 2.246 -6.766 3.457 1.00 5.30 C ATOM 59 O PHE A 4 2.609 -5.870 4.128 1.00 5.58 O ATOM 60 CB PHE A 4 3.537 -8.516 4.429 1.00 4.83 C ATOM 61 CG PHE A 4 4.521 -9.641 4.441 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.223 -10.784 3.675 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.713 -9.589 5.130 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.042 -11.901 3.723 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.636 -10.676 5.063 1.00 10.61 C ATOM 66 CZ PHE A 4 6.323 -11.807 4.318 1.00 8.90 C ATOM 0 H PHE A 4 4.974 -6.606 3.202 1.00 4.55 H new ATOM 0 HA PHE A 4 2.923 -8.524 2.296 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.885 -7.752 5.124 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.588 -8.889 4.815 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.347 -10.790 3.043 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.951 -8.720 5.725 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.704 -12.839 3.308 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.577 -10.620 5.591 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.045 -12.601 4.195 1.00 8.90 H new ATOM 76 N VAL A 5 0.991 -6.879 3.048 1.00 4.44 N ATOM 77 CA VAL A 5 0.064 -5.781 3.240 1.00 3.87 C ATOM 78 C VAL A 5 -0.979 -6.302 4.157 1.00 4.93 C ATOM 79 O VAL A 5 -1.348 -7.486 4.142 1.00 6.84 O ATOM 80 CB VAL A 5 -0.620 -5.303 1.972 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.557 -4.132 2.259 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.451 -4.819 0.952 1.00 9.13 C ATOM 0 H VAL A 5 0.600 -7.703 2.591 1.00 4.44 H new ATOM 0 HA VAL A 5 0.620 -4.923 3.618 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.194 -6.137 1.570 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.033 -3.811 1.332 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.322 -4.444 2.970 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.986 -3.304 2.680 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.042 -4.476 0.042 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.023 -3.999 1.386 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.123 -5.643 0.712 1.00 9.13 H new ATOM 92 N LYS A 6 -1.357 -5.479 5.171 1.00 6.04 N ATOM 93 CA LYS A 6 -2.060 -5.992 6.352 1.00 6.12 C ATOM 94 C LYS A 6 -3.377 -5.334 6.741 1.00 6.57 C ATOM 95 O LYS A 6 -3.463 -4.155 7.131 1.00 5.76 O ATOM 96 CB LYS A 6 -1.086 -5.996 7.605 1.00 7.45 C ATOM 97 CG LYS A 6 -1.647 -6.635 8.949 1.00 11.12 C ATOM 98 CD LYS A 6 -0.472 -7.160 9.791 1.00 14.54 C ATOM 99 CE LYS A 6 -0.807 -7.694 11.202 1.00 18.84 C ATOM 100 NZ LYS A 6 0.368 -8.105 12.008 1.00 20.55 N ATOM 0 H LYS A 6 -1.185 -4.474 5.185 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.354 -6.995 6.043 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.178 -6.532 7.328 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.797 -4.966 7.814 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.209 -5.890 9.512 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.336 -7.447 8.719 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.015 -7.959 9.233 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.256 -6.356 9.897 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.352 -6.923 11.747 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.478 -8.547 11.102 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.049 -8.449 12.936 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.879 -8.865 11.514 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.001 -7.290 12.139 1.00 20.55 H new ATOM 114 N THR A 7 -4.428 -6.177 6.788 1.00 7.41 N ATOM 115 CA THR A 7 -5.817 -5.766 6.957 1.00 7.48 C ATOM 116 C THR A 7 -6.343 -5.726 8.389 1.00 8.75 C ATOM 117 O THR A 7 -5.746 -6.391 9.237 1.00 8.58 O ATOM 118 CB THR A 7 -6.828 -6.232 6.003 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.267 -7.551 6.264 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.431 -6.200 4.546 1.00 9.17 C ATOM 0 H THR A 7 -4.320 -7.188 6.706 1.00 7.41 H new ATOM 0 HA THR A 7 -5.669 -4.731 6.647 1.00 7.48 H new ATOM 0 HB THR A 7 -7.620 -5.500 6.163 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.940 -7.809 5.600 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.256 -6.567 3.936 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.192 -5.177 4.256 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.557 -6.834 4.393 1.00 9.17 H new ATOM 128 N LEU A 8 -7.405 -4.934 8.690 1.00 9.84 N ATOM 129 CA LEU A 8 -8.129 -4.854 9.970 1.00 14.15 C ATOM 130 C LEU A 8 -8.740 -6.165 10.379 1.00 17.37 C ATOM 131 O LEU A 8 -8.759 -6.512 11.541 1.00 17.01 O ATOM 132 CB LEU A 8 -9.272 -3.808 10.002 1.00 16.63 C ATOM 133 CG LEU A 8 -8.769 -2.422 9.761 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.947 -1.529 10.093 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.554 -1.994 10.575 1.00 18.59 C ATOM 0 H LEU A 8 -7.797 -4.297 7.996 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.344 -4.551 10.663 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.016 -4.060 9.246 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.774 -3.849 10.969 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.413 -2.357 8.733 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.667 -0.486 9.944 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.786 -1.776 9.442 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.237 -1.681 11.133 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.283 -0.971 10.313 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.791 -2.046 11.638 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.718 -2.658 10.357 1.00 18.59 H new ATOM 147 N THR A 9 -9.202 -6.995 9.430 1.00 18.33 N ATOM 148 CA THR A 9 -9.848 -8.263 9.742 1.00 19.24 C ATOM 149 C THR A 9 -8.861 -9.429 9.695 1.00 19.48 C ATOM 150 O THR A 9 -9.293 -10.582 9.697 1.00 23.14 O ATOM 151 CB THR A 9 -11.004 -8.604 8.796 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.648 -8.601 7.443 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.106 -7.569 8.897 1.00 19.70 C ATOM 0 H THR A 9 -9.135 -6.800 8.431 1.00 18.33 H new ATOM 0 HA THR A 9 -10.239 -8.128 10.750 1.00 19.24 H new ATOM 0 HB THR A 9 -11.314 -9.602 9.107 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.431 -8.828 6.898 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.916 -7.832 8.216 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.485 -7.540 9.918 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.711 -6.589 8.629 1.00 19.70 H new ATOM 161 N GLY A 10 -7.496 -9.177 9.768 1.00 19.43 N ATOM 162 CA GLY A 10 -6.397 -10.196 9.907 1.00 18.74 C ATOM 163 C GLY A 10 -6.062 -10.979 8.636 1.00 17.62 C ATOM 164 O GLY A 10 -5.400 -12.006 8.618 1.00 19.74 O ATOM 0 H GLY A 10 -7.131 -8.225 9.729 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.495 -9.688 10.249 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.678 -10.904 10.686 1.00 18.74 H new ATOM 168 N LYS A 11 -6.486 -10.393 7.527 1.00 13.56 N ATOM 169 CA LYS A 11 -5.963 -10.789 6.266 1.00 11.91 C ATOM 170 C LYS A 11 -4.643 -10.132 6.060 1.00 10.18 C ATOM 171 O LYS A 11 -4.363 -9.010 6.392 1.00 9.10 O ATOM 172 CB LYS A 11 -6.864 -10.494 5.054 1.00 13.43 C ATOM 173 CG LYS A 11 -6.684 -11.392 3.815 1.00 16.69 C ATOM 174 CD LYS A 11 -7.748 -11.077 2.789 1.00 17.92 C ATOM 175 CE LYS A 11 -7.536 -11.948 1.499 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.712 -11.717 0.641 1.00 21.93 N ATOM 0 H LYS A 11 -7.184 -9.650 7.493 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.883 -11.875 6.312 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.902 -10.567 5.378 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.697 -9.460 4.751 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.695 -11.237 3.384 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.745 -12.441 4.104 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.736 -11.270 3.208 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.712 -10.018 2.531 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.618 -11.663 0.985 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.443 -13.004 1.754 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.552 -12.150 -0.291 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.552 -12.143 1.081 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.863 -10.694 0.526 1.00 21.93 H new ATOM 190 N THR A 12 -3.689 -10.870 5.446 1.00 9.63 N ATOM 191 CA THR A 12 -2.418 -10.386 4.943 1.00 9.85 C ATOM 192 C THR A 12 -2.309 -11.034 3.591 1.00 11.66 C ATOM 193 O THR A 12 -2.914 -12.054 3.304 1.00 12.33 O ATOM 194 CB THR A 12 -1.172 -10.686 5.727 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.992 -12.094 5.963 1.00 10.91 O ATOM 196 CG2 THR A 12 -1.251 -9.919 7.082 1.00 9.63 C ATOM 0 H THR A 12 -3.809 -11.871 5.288 1.00 9.63 H new ATOM 0 HA THR A 12 -2.447 -9.297 4.978 1.00 9.85 H new ATOM 0 HB THR A 12 -0.311 -10.359 5.144 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.168 -12.237 6.474 1.00 10.91 H new ATOM 0 HG21 THR A 12 -0.355 -10.123 7.668 1.00 9.63 H new ATOM 0 HG22 THR A 12 -1.324 -8.848 6.890 1.00 9.63 H new ATOM 0 HG23 THR A 12 -2.130 -10.249 7.636 1.00 9.63 H new ATOM 204 N ILE A 13 -1.474 -10.416 2.687 1.00 10.42 N ATOM 205 CA ILE A 13 -1.204 -10.904 1.375 1.00 11.84 C ATOM 206 C ILE A 13 0.196 -10.479 1.060 1.00 10.55 C ATOM 207 O ILE A 13 0.717 -9.586 1.748 1.00 11.92 O ATOM 208 CB ILE A 13 -2.140 -10.313 0.309 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.398 -8.788 0.446 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.537 -11.057 0.427 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.275 -8.250 -0.679 1.00 16.46 C ATOM 0 H ILE A 13 -0.982 -9.548 2.900 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.350 -11.984 1.358 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.649 -10.458 -0.653 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.876 -8.587 1.405 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.445 -8.258 0.447 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.225 -10.659 -0.319 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.396 -12.124 0.258 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.950 -10.899 1.423 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.428 -7.180 -0.541 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.786 -8.426 -1.637 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.239 -8.759 -0.664 1.00 16.46 H new ATOM 223 N THR A 14 0.810 -11.069 0.034 1.00 9.39 N ATOM 224 CA THR A 14 2.106 -10.689 -0.545 1.00 9.63 C ATOM 225 C THR A 14 1.914 -9.971 -1.905 1.00 11.20 C ATOM 226 O THR A 14 0.849 -10.093 -2.549 1.00 11.63 O ATOM 227 CB THR A 14 3.070 -11.942 -0.877 1.00 10.38 C ATOM 228 OG1 THR A 14 2.350 -12.941 -1.588 1.00 16.30 O ATOM 229 CG2 THR A 14 3.593 -12.691 0.364 1.00 11.66 C ATOM 0 H THR A 14 0.396 -11.869 -0.444 1.00 9.39 H new ATOM 0 HA THR A 14 2.559 -10.056 0.218 1.00 9.63 H new ATOM 0 HB THR A 14 3.896 -11.495 -1.430 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.945 -13.695 -1.785 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.231 -13.516 0.049 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.167 -12.006 0.987 1.00 11.66 H new ATOM 0 HG23 THR A 14 2.751 -13.082 0.935 1.00 11.66 H new ATOM 237 N LEU A 15 2.878 -9.115 -2.249 1.00 8.29 N ATOM 238 CA LEU A 15 2.993 -8.445 -3.554 1.00 9.03 C ATOM 239 C LEU A 15 4.399 -8.611 -3.963 1.00 8.59 C ATOM 240 O LEU A 15 5.201 -8.956 -3.093 1.00 7.79 O ATOM 241 CB LEU A 15 2.764 -6.917 -3.545 1.00 11.08 C ATOM 242 CG LEU A 15 1.468 -6.418 -2.860 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.490 -4.856 -2.745 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.245 -6.730 -3.705 1.00 15.27 C ATOM 0 H LEU A 15 3.628 -8.858 -1.607 1.00 8.29 H new ATOM 0 HA LEU A 15 2.232 -8.885 -4.198 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.614 -6.447 -3.050 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.762 -6.566 -4.577 1.00 11.08 H new ATOM 0 HG LEU A 15 1.420 -6.911 -1.889 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.575 -4.514 -2.262 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.351 -4.547 -2.152 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.560 -4.419 -3.741 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.649 -6.368 -3.198 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.337 -6.239 -4.674 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.168 -7.808 -3.850 1.00 15.27 H new ATOM 256 N GLU A 16 4.707 -8.418 -5.273 1.00 11.04 N ATOM 257 CA GLU A 16 6.100 -8.379 -5.800 1.00 11.50 C ATOM 258 C GLU A 16 6.250 -7.049 -6.453 1.00 10.13 C ATOM 259 O GLU A 16 5.473 -6.670 -7.324 1.00 9.83 O ATOM 260 CB GLU A 16 6.317 -9.548 -6.795 1.00 17.22 C ATOM 261 CG GLU A 16 7.740 -9.605 -7.354 1.00 23.33 C ATOM 262 CD GLU A 16 8.725 -9.998 -6.363 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.560 -11.068 -5.675 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.795 -9.336 -6.227 1.00 28.90 O ATOM 0 H GLU A 16 3.998 -8.285 -5.994 1.00 11.04 H new ATOM 0 HA GLU A 16 6.848 -8.501 -5.017 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.092 -10.490 -6.294 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.612 -9.450 -7.621 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.769 -10.309 -8.186 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.006 -8.627 -7.754 1.00 23.33 H new ATOM 271 N VAL A 17 7.247 -6.260 -5.912 1.00 8.99 N ATOM 272 CA VAL A 17 7.445 -4.897 -6.272 1.00 8.85 C ATOM 273 C VAL A 17 8.837 -4.722 -6.720 1.00 8.04 C ATOM 274 O VAL A 17 9.702 -5.613 -6.563 1.00 8.99 O ATOM 275 CB VAL A 17 7.052 -3.931 -5.185 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.562 -4.008 -5.085 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.641 -4.298 -3.844 1.00 10.54 C ATOM 0 H VAL A 17 7.911 -6.600 -5.216 1.00 8.99 H new ATOM 0 HA VAL A 17 6.774 -4.654 -7.096 1.00 8.85 H new ATOM 0 HB VAL A 17 7.420 -2.935 -5.433 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.214 -3.326 -4.309 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.118 -3.728 -6.040 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.266 -5.026 -4.833 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.326 -3.569 -3.097 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.294 -5.289 -3.553 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.729 -4.301 -3.913 1.00 10.54 H new ATOM 287 N GLU A 18 9.058 -3.487 -7.228 1.00 7.29 N ATOM 288 CA GLU A 18 10.370 -2.890 -7.088 1.00 7.08 C ATOM 289 C GLU A 18 10.269 -1.750 -6.095 1.00 6.45 C ATOM 290 O GLU A 18 9.164 -1.309 -5.860 1.00 5.28 O ATOM 291 CB GLU A 18 10.876 -2.240 -8.465 1.00 10.28 C ATOM 292 CG GLU A 18 11.068 -3.178 -9.602 1.00 12.65 C ATOM 293 CD GLU A 18 12.312 -4.058 -9.350 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.419 -3.504 -9.415 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.187 -5.258 -9.049 1.00 18.17 O ATOM 0 H GLU A 18 8.365 -2.919 -7.716 1.00 7.29 H new ATOM 0 HA GLU A 18 11.060 -3.673 -6.773 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.159 -1.477 -8.768 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.822 -1.732 -8.277 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.185 -3.806 -9.720 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.188 -2.619 -10.530 1.00 12.65 H new ATOM 302 N PRO A 19 11.368 -1.322 -5.485 1.00 7.24 N ATOM 303 CA PRO A 19 11.305 -0.256 -4.535 1.00 7.07 C ATOM 304 C PRO A 19 11.130 1.072 -5.198 1.00 6.65 C ATOM 305 O PRO A 19 10.770 2.021 -4.522 1.00 6.37 O ATOM 306 CB PRO A 19 12.621 -0.407 -3.793 1.00 7.61 C ATOM 307 CG PRO A 19 13.587 -1.023 -4.807 1.00 8.16 C ATOM 308 CD PRO A 19 12.647 -2.028 -5.484 1.00 7.49 C ATOM 0 HA PRO A 19 10.447 -0.303 -3.865 1.00 7.07 H new ATOM 0 HB2 PRO A 19 12.985 0.557 -3.438 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.508 -1.047 -2.918 1.00 7.61 H new ATOM 0 HG2 PRO A 19 13.985 -0.287 -5.506 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.441 -1.505 -4.331 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.975 -2.272 -6.494 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.591 -2.966 -4.931 1.00 7.49 H new ATOM 316 N SER A 20 11.406 1.143 -6.500 1.00 6.80 N ATOM 317 CA SER A 20 11.190 2.376 -7.287 1.00 6.28 C ATOM 318 C SER A 20 9.735 2.593 -7.610 1.00 8.45 C ATOM 319 O SER A 20 9.332 3.717 -7.965 1.00 7.26 O ATOM 320 CB SER A 20 12.012 2.352 -8.609 1.00 8.57 C ATOM 321 OG SER A 20 11.675 1.148 -9.306 1.00 11.13 O ATOM 0 H SER A 20 11.781 0.364 -7.041 1.00 6.80 H new ATOM 0 HA SER A 20 11.532 3.203 -6.664 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.781 3.225 -9.219 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.081 2.385 -8.396 1.00 8.57 H new ATOM 0 HG SER A 20 12.177 1.105 -10.146 1.00 11.13 H new ATOM 327 N ASP A 21 8.900 1.574 -7.448 1.00 7.50 N ATOM 328 CA ASP A 21 7.438 1.675 -7.742 1.00 7.70 C ATOM 329 C ASP A 21 6.782 2.726 -6.800 1.00 7.08 C ATOM 330 O ASP A 21 7.122 2.838 -5.622 1.00 8.11 O ATOM 331 CB ASP A 21 6.704 0.302 -7.632 1.00 11.00 C ATOM 332 CG ASP A 21 7.175 -0.645 -8.661 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.968 -0.312 -9.595 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.834 -1.876 -8.583 1.00 18.03 O ATOM 0 H ASP A 21 9.192 0.656 -7.114 1.00 7.50 H new ATOM 0 HA ASP A 21 7.335 1.998 -8.778 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.870 -0.122 -6.642 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.630 0.453 -7.739 1.00 11.00 H new ATOM 339 N THR A 22 5.807 3.502 -7.405 1.00 5.37 N ATOM 340 CA THR A 22 4.941 4.427 -6.652 1.00 6.01 C ATOM 341 C THR A 22 3.897 3.772 -5.755 1.00 8.01 C ATOM 342 O THR A 22 3.395 2.685 -5.978 1.00 8.11 O ATOM 343 CB THR A 22 4.110 5.424 -7.495 1.00 8.92 C ATOM 344 OG1 THR A 22 3.551 4.812 -8.649 1.00 10.22 O ATOM 345 CG2 THR A 22 5.158 6.441 -8.015 1.00 9.65 C ATOM 0 H THR A 22 5.621 3.488 -8.408 1.00 5.37 H new ATOM 0 HA THR A 22 5.718 4.933 -6.080 1.00 6.01 H new ATOM 0 HB THR A 22 3.298 5.839 -6.898 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.184 4.880 -9.394 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.662 7.194 -8.628 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.646 6.926 -7.169 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.905 5.920 -8.614 1.00 9.65 H new ATOM 353 N ILE A 23 3.426 4.435 -4.682 1.00 8.32 N ATOM 354 CA ILE A 23 2.264 4.060 -3.832 1.00 9.92 C ATOM 355 C ILE A 23 0.950 3.818 -4.629 1.00 10.01 C ATOM 356 O ILE A 23 0.109 2.962 -4.330 1.00 8.71 O ATOM 357 CB ILE A 23 2.175 5.159 -2.668 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.403 5.299 -1.785 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.815 4.950 -1.896 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.830 3.893 -1.356 1.00 12.30 C ATOM 0 H ILE A 23 3.867 5.297 -4.361 1.00 8.32 H new ATOM 0 HA ILE A 23 2.414 3.078 -3.383 1.00 9.92 H new ATOM 0 HB ILE A 23 2.172 6.144 -3.136 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.209 5.795 -2.326 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.179 5.914 -0.913 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.732 5.688 -1.098 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.018 5.069 -2.588 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.790 3.948 -1.468 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.712 3.959 -0.719 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.018 3.419 -0.804 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.064 3.299 -2.239 1.00 12.30 H new ATOM 372 N GLU A 24 0.783 4.605 -5.739 1.00 9.54 N ATOM 373 CA GLU A 24 -0.241 4.311 -6.692 1.00 11.81 C ATOM 374 C GLU A 24 -0.125 2.933 -7.346 1.00 11.14 C ATOM 375 O GLU A 24 -1.065 2.140 -7.407 1.00 10.62 O ATOM 376 CB GLU A 24 -0.199 5.399 -7.805 1.00 19.24 C ATOM 377 CG GLU A 24 -0.942 5.098 -9.143 1.00 27.76 C ATOM 378 CD GLU A 24 -0.877 6.397 -9.977 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.654 7.282 -9.632 1.00 34.80 O ATOM 380 OE2 GLU A 24 0.002 6.552 -10.869 1.00 36.51 O ATOM 0 H GLU A 24 1.352 5.423 -5.958 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.184 4.307 -6.145 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.613 6.318 -7.391 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.847 5.598 -8.040 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.469 4.272 -9.673 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.976 4.807 -8.957 1.00 27.76 H new ATOM 387 N ASN A 25 1.102 2.559 -7.796 1.00 9.43 N ATOM 388 CA ASN A 25 1.384 1.366 -8.552 1.00 10.96 C ATOM 389 C ASN A 25 1.355 0.148 -7.632 1.00 9.68 C ATOM 390 O ASN A 25 1.098 -0.964 -8.043 1.00 9.33 O ATOM 391 CB ASN A 25 2.780 1.436 -9.251 1.00 16.78 C ATOM 392 CG ASN A 25 2.517 1.872 -10.635 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.229 1.025 -11.505 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.605 3.216 -10.849 1.00 24.70 N ATOM 0 H ASN A 25 1.936 3.120 -7.622 1.00 9.43 H new ATOM 0 HA ASN A 25 0.617 1.281 -9.321 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.439 2.137 -8.739 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.274 0.465 -9.235 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.429 3.597 -11.779 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.847 3.840 -10.079 1.00 24.70 H new ATOM 401 N VAL A 26 1.511 0.407 -6.296 1.00 6.52 N ATOM 402 CA VAL A 26 1.368 -0.518 -5.212 1.00 5.53 C ATOM 403 C VAL A 26 -0.068 -0.932 -5.112 1.00 4.42 C ATOM 404 O VAL A 26 -0.533 -2.061 -5.089 1.00 3.40 O ATOM 405 CB VAL A 26 1.998 -0.024 -3.980 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.676 -0.967 -2.732 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.508 -0.156 -4.064 1.00 8.12 C ATOM 0 H VAL A 26 1.756 1.341 -5.966 1.00 6.52 H new ATOM 0 HA VAL A 26 1.926 -1.434 -5.405 1.00 5.53 H new ATOM 0 HB VAL A 26 1.631 0.996 -3.867 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.160 -0.568 -1.840 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.598 -1.006 -2.574 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.050 -1.972 -2.929 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.957 0.215 -3.143 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.775 -1.204 -4.202 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.878 0.426 -4.908 1.00 8.12 H new ATOM 417 N LYS A 27 -0.885 0.108 -5.022 1.00 2.64 N ATOM 418 CA LYS A 27 -2.297 -0.009 -4.874 1.00 4.14 C ATOM 419 C LYS A 27 -2.951 -0.599 -6.133 1.00 5.58 C ATOM 420 O LYS A 27 -3.889 -1.341 -6.123 1.00 4.11 O ATOM 421 CB LYS A 27 -2.949 1.250 -4.290 1.00 3.97 C ATOM 422 CG LYS A 27 -2.508 1.571 -2.877 1.00 7.45 C ATOM 423 CD LYS A 27 -2.934 2.883 -2.150 1.00 9.02 C ATOM 424 CE LYS A 27 -2.985 4.196 -3.008 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.284 5.345 -2.171 1.00 15.47 N ATOM 0 H LYS A 27 -0.558 1.074 -5.053 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.497 -0.750 -4.100 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.718 2.099 -4.934 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.032 1.126 -4.303 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.840 0.744 -2.250 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.418 1.553 -2.878 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.922 2.724 -1.718 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.246 3.048 -1.321 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.030 4.345 -3.511 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.743 4.099 -3.785 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.430 6.182 -2.770 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.146 5.158 -1.620 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -2.490 5.518 -1.522 1.00 15.47 H new ATOM 439 N ALA A 28 -2.341 -0.273 -7.275 1.00 6.61 N ATOM 440 CA ALA A 28 -2.644 -0.982 -8.517 1.00 7.74 C ATOM 441 C ALA A 28 -2.396 -2.490 -8.505 1.00 9.17 C ATOM 442 O ALA A 28 -3.238 -3.281 -8.961 1.00 11.45 O ATOM 443 CB ALA A 28 -1.983 -0.210 -9.675 1.00 7.68 C ATOM 0 H ALA A 28 -1.644 0.467 -7.364 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.725 -0.981 -8.660 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.193 -0.717 -10.617 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.383 0.803 -9.712 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.905 -0.169 -9.517 1.00 7.68 H new ATOM 449 N LYS A 29 -1.298 -2.969 -7.891 1.00 8.96 N ATOM 450 CA LYS A 29 -1.192 -4.411 -7.633 1.00 7.90 C ATOM 451 C LYS A 29 -2.216 -4.920 -6.593 1.00 6.92 C ATOM 452 O LYS A 29 -2.764 -6.013 -6.681 1.00 6.87 O ATOM 453 CB LYS A 29 0.220 -4.687 -7.052 1.00 10.28 C ATOM 454 CG LYS A 29 1.260 -4.536 -8.165 1.00 14.94 C ATOM 455 CD LYS A 29 2.696 -4.515 -7.667 1.00 19.69 C ATOM 456 CE LYS A 29 3.702 -4.379 -8.804 1.00 22.63 C ATOM 457 NZ LYS A 29 4.024 -5.699 -9.305 1.00 24.98 N ATOM 0 H LYS A 29 -0.507 -2.406 -7.578 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.382 -4.924 -8.576 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.435 -3.992 -6.240 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.263 -5.692 -6.631 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.143 -5.357 -8.872 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.062 -3.614 -8.712 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.824 -3.686 -6.971 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.899 -5.431 -7.113 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.288 -3.763 -9.602 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.604 -3.879 -8.451 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.277 -5.636 -10.312 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.827 -6.087 -8.770 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.200 -6.323 -9.194 1.00 24.98 H new ATOM 471 N ILE A 30 -2.574 -4.139 -5.502 1.00 4.57 N ATOM 472 CA ILE A 30 -3.578 -4.535 -4.509 1.00 5.58 C ATOM 473 C ILE A 30 -4.946 -4.564 -5.178 1.00 7.26 C ATOM 474 O ILE A 30 -5.781 -5.431 -4.999 1.00 9.46 O ATOM 475 CB ILE A 30 -3.567 -3.684 -3.265 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.118 -3.677 -2.685 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.713 -4.079 -2.331 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.994 -2.670 -1.555 1.00 2.00 C ATOM 0 H ILE A 30 -2.158 -3.227 -5.315 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.325 -5.534 -4.153 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.788 -2.636 -3.466 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.862 -4.672 -2.321 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.407 -3.434 -3.474 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.688 -3.453 -1.439 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.665 -3.941 -2.844 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.604 -5.125 -2.044 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.976 -2.683 -1.166 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.227 -1.673 -1.929 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.690 -2.930 -0.758 1.00 2.00 H new ATOM 490 N GLN A 31 -5.202 -3.659 -6.178 1.00 7.06 N ATOM 491 CA GLN A 31 -6.360 -3.687 -7.057 1.00 8.67 C ATOM 492 C GLN A 31 -6.349 -4.909 -7.958 1.00 10.90 C ATOM 493 O GLN A 31 -7.357 -5.563 -8.103 1.00 9.63 O ATOM 494 CB GLN A 31 -6.331 -2.538 -8.047 1.00 9.12 C ATOM 495 CG GLN A 31 -7.627 -2.486 -8.870 1.00 10.76 C ATOM 496 CD GLN A 31 -7.676 -1.380 -9.950 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.584 -0.524 -10.004 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.699 -1.511 -10.844 1.00 14.76 N ATOM 0 H GLN A 31 -4.575 -2.880 -6.378 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.219 -3.658 -6.387 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.197 -1.597 -7.513 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.477 -2.650 -8.715 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.770 -3.452 -9.355 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.466 -2.344 -8.189 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.994 -2.239 -10.726 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.655 -0.884 -11.647 1.00 14.76 H new ATOM 507 N ASP A 32 -5.206 -5.314 -8.515 1.00 10.93 N ATOM 508 CA ASP A 32 -5.114 -6.582 -9.194 1.00 14.01 C ATOM 509 C ASP A 32 -5.397 -7.816 -8.340 1.00 14.04 C ATOM 510 O ASP A 32 -5.980 -8.820 -8.795 1.00 13.39 O ATOM 511 CB ASP A 32 -3.711 -6.655 -9.749 1.00 18.01 C ATOM 512 CG ASP A 32 -3.555 -7.733 -10.726 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.361 -7.713 -11.727 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.701 -8.648 -10.646 1.00 25.17 O ATOM 0 H ASP A 32 -4.340 -4.775 -8.503 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.894 -6.609 -9.955 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.458 -5.704 -10.218 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.006 -6.805 -8.931 1.00 18.01 H new ATOM 519 N LYS A 33 -5.001 -7.761 -7.076 1.00 14.22 N ATOM 520 CA LYS A 33 -5.190 -8.851 -6.161 1.00 14.00 C ATOM 521 C LYS A 33 -6.591 -8.958 -5.600 1.00 12.37 C ATOM 522 O LYS A 33 -7.194 -9.999 -5.743 1.00 12.17 O ATOM 523 CB LYS A 33 -4.064 -8.645 -5.058 1.00 18.62 C ATOM 524 CG LYS A 33 -3.950 -9.807 -4.017 1.00 24.00 C ATOM 525 CD LYS A 33 -3.548 -11.102 -4.812 1.00 27.61 C ATOM 526 CE LYS A 33 -2.977 -12.242 -3.973 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.186 -13.164 -4.752 1.00 30.06 N ATOM 0 H LYS A 33 -4.538 -6.950 -6.665 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.089 -9.813 -6.663 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.102 -8.527 -5.557 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.262 -7.715 -4.525 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.203 -9.573 -3.259 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.897 -9.953 -3.497 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -4.428 -11.469 -5.341 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.813 -10.828 -5.569 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -2.362 -11.827 -3.174 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -3.795 -12.783 -3.498 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.823 -13.918 -4.134 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.776 -13.583 -5.499 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.388 -12.657 -5.185 1.00 30.06 H new ATOM 541 N GLU A 34 -7.158 -7.887 -5.027 1.00 10.11 N ATOM 542 CA GLU A 34 -8.337 -8.008 -4.190 1.00 10.07 C ATOM 543 C GLU A 34 -9.437 -7.245 -4.807 1.00 9.32 C ATOM 544 O GLU A 34 -10.510 -7.059 -4.241 1.00 11.61 O ATOM 545 CB GLU A 34 -8.072 -7.352 -2.821 1.00 14.77 C ATOM 546 CG GLU A 34 -7.091 -8.170 -1.898 1.00 18.75 C ATOM 547 CD GLU A 34 -7.846 -9.319 -1.180 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.514 -9.082 -0.128 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.846 -10.433 -1.708 1.00 25.19 O ATOM 0 H GLU A 34 -6.812 -6.933 -5.134 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.582 -9.064 -4.080 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.659 -6.356 -2.981 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.021 -7.224 -2.301 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.278 -8.580 -2.496 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.640 -7.507 -1.160 1.00 18.75 H new ATOM 556 N GLY A 35 -9.236 -6.736 -6.004 1.00 7.22 N ATOM 557 CA GLY A 35 -10.315 -6.184 -6.803 1.00 6.29 C ATOM 558 C GLY A 35 -10.619 -4.745 -6.448 1.00 6.93 C ATOM 559 O GLY A 35 -11.556 -4.170 -6.984 1.00 7.41 O ATOM 0 H GLY A 35 -8.321 -6.692 -6.453 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.050 -6.247 -7.859 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.212 -6.787 -6.663 1.00 6.29 H new ATOM 563 N ILE A 36 -9.860 -4.098 -5.555 1.00 5.86 N ATOM 564 CA ILE A 36 -10.182 -2.776 -4.942 1.00 6.07 C ATOM 565 C ILE A 36 -9.618 -1.573 -5.677 1.00 6.36 C ATOM 566 O ILE A 36 -8.398 -1.574 -5.736 1.00 6.18 O ATOM 567 CB ILE A 36 -9.706 -2.683 -3.488 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.155 -3.902 -2.712 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.254 -1.418 -2.904 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.842 -3.907 -1.256 1.00 9.49 C ATOM 0 H ILE A 36 -8.976 -4.480 -5.220 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.269 -2.736 -5.007 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.617 -2.659 -3.437 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.234 -4.006 -2.831 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.698 -4.783 -3.164 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.930 -1.326 -1.867 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.888 -0.565 -3.476 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.343 -1.441 -2.943 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.212 -4.829 -0.808 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.763 -3.842 -1.116 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.322 -3.053 -0.778 1.00 9.49 H new ATOM 582 N PRO A 37 -10.302 -0.555 -6.159 1.00 8.65 N ATOM 583 CA PRO A 37 -9.621 0.592 -6.862 1.00 9.18 C ATOM 584 C PRO A 37 -8.634 1.396 -5.903 1.00 9.85 C ATOM 585 O PRO A 37 -9.010 1.516 -4.738 1.00 8.51 O ATOM 586 CB PRO A 37 -10.754 1.490 -7.348 1.00 11.42 C ATOM 587 CG PRO A 37 -11.869 1.192 -6.399 1.00 9.27 C ATOM 588 CD PRO A 37 -11.700 -0.292 -6.188 1.00 8.33 C ATOM 0 HA PRO A 37 -8.995 0.230 -7.678 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.472 2.543 -7.318 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.032 1.263 -8.377 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -11.775 1.751 -5.468 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.843 1.437 -6.822 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.170 -0.604 -5.255 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.181 -0.852 -6.990 1.00 8.33 H new ATOM 596 N PRO A 38 -7.513 1.893 -6.290 1.00 8.71 N ATOM 597 CA PRO A 38 -6.670 2.868 -5.538 1.00 9.08 C ATOM 598 C PRO A 38 -7.321 4.018 -4.711 1.00 9.28 C ATOM 599 O PRO A 38 -6.873 4.313 -3.591 1.00 6.50 O ATOM 600 CB PRO A 38 -5.560 3.306 -6.580 1.00 10.31 C ATOM 601 CG PRO A 38 -5.470 2.106 -7.500 1.00 10.81 C ATOM 602 CD PRO A 38 -6.963 1.691 -7.614 1.00 12.00 C ATOM 0 HA PRO A 38 -6.276 2.364 -4.656 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.846 4.209 -7.120 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.608 3.514 -6.093 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.040 2.363 -8.468 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.854 1.311 -7.079 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.485 2.297 -8.354 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.060 0.651 -7.927 1.00 12.00 H new ATOM 610 N ASP A 39 -8.374 4.662 -5.176 1.00 11.20 N ATOM 611 CA ASP A 39 -9.050 5.715 -4.519 1.00 14.96 C ATOM 612 C ASP A 39 -9.905 5.195 -3.371 1.00 13.99 C ATOM 613 O ASP A 39 -10.291 5.912 -2.471 1.00 13.75 O ATOM 614 CB ASP A 39 -10.057 6.341 -5.573 1.00 24.16 C ATOM 615 CG ASP A 39 -9.285 7.328 -6.406 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.764 6.932 -7.456 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.233 8.552 -6.084 1.00 35.55 O ATOM 0 H ASP A 39 -8.790 4.434 -6.079 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.316 6.423 -4.135 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.487 5.562 -6.202 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.886 6.834 -5.065 1.00 24.16 H new ATOM 622 N GLN A 40 -10.129 3.819 -3.309 1.00 11.60 N ATOM 623 CA GLN A 40 -10.662 3.238 -2.130 1.00 10.76 C ATOM 624 C GLN A 40 -9.653 2.650 -1.220 1.00 8.01 C ATOM 625 O GLN A 40 -10.044 2.089 -0.186 1.00 8.96 O ATOM 626 CB GLN A 40 -11.758 2.122 -2.496 1.00 11.14 C ATOM 627 CG GLN A 40 -13.111 2.680 -3.043 1.00 14.85 C ATOM 628 CD GLN A 40 -14.158 1.576 -3.260 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.426 1.187 -4.353 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.938 1.193 -2.180 1.00 18.16 N ATOM 0 H GLN A 40 -9.936 3.164 -4.067 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.118 4.068 -1.590 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.333 1.447 -3.239 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.961 1.528 -1.605 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.505 3.418 -2.344 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.932 3.197 -3.986 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.710 1.525 -1.243 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.740 0.579 -2.322 1.00 18.16 H new ATOM 639 N GLN A 41 -8.287 2.815 -1.479 1.00 6.52 N ATOM 640 CA GLN A 41 -7.311 2.212 -0.626 1.00 3.87 C ATOM 641 C GLN A 41 -6.396 3.245 -0.043 1.00 4.79 C ATOM 642 O GLN A 41 -5.843 4.086 -0.725 1.00 6.34 O ATOM 643 CB GLN A 41 -6.320 1.296 -1.463 1.00 4.20 C ATOM 644 CG GLN A 41 -6.884 0.011 -2.076 1.00 3.20 C ATOM 645 CD GLN A 41 -5.806 -0.586 -2.975 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.779 -0.815 -2.381 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.058 -0.839 -4.282 1.00 7.13 N ATOM 0 H GLN A 41 -7.906 3.352 -2.258 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.877 1.664 0.127 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.907 1.900 -2.271 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.489 1.021 -0.814 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.164 -0.695 -1.294 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.786 0.225 -2.650 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.966 -0.603 -4.681 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.339 -1.266 -4.867 1.00 7.13 H new ATOM 656 N ARG A 42 -6.105 3.144 1.279 1.00 5.73 N ATOM 657 CA ARG A 42 -5.023 3.916 1.914 1.00 6.97 C ATOM 658 C ARG A 42 -3.973 3.141 2.689 1.00 7.15 C ATOM 659 O ARG A 42 -4.332 2.348 3.568 1.00 7.33 O ATOM 660 CB ARG A 42 -5.685 4.895 2.911 1.00 13.23 C ATOM 661 CG ARG A 42 -6.736 5.787 2.295 1.00 21.27 C ATOM 662 CD ARG A 42 -7.205 6.982 3.180 1.00 26.14 C ATOM 663 NE ARG A 42 -8.033 7.869 2.334 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.720 8.931 2.754 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.607 9.405 3.994 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.709 9.405 1.997 1.00 36.39 N ATOM 0 H ARG A 42 -6.610 2.533 1.921 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.484 4.375 1.085 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.139 4.322 3.719 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.911 5.519 3.359 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.347 6.183 1.357 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.605 5.178 2.048 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.779 6.623 4.034 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.347 7.524 3.577 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.083 7.648 1.339 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.978 8.953 4.658 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.149 10.220 4.280 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.932 8.956 1.109 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.243 10.217 2.306 1.00 36.39 H new ATOM 680 N LEU A 43 -2.644 3.354 2.411 1.00 4.65 N ATOM 681 CA LEU A 43 -1.555 2.596 3.020 1.00 3.51 C ATOM 682 C LEU A 43 -1.010 3.396 4.121 1.00 5.56 C ATOM 683 O LEU A 43 -0.676 4.569 4.035 1.00 4.19 O ATOM 684 CB LEU A 43 -0.443 2.261 1.972 1.00 3.74 C ATOM 685 CG LEU A 43 -0.956 1.335 0.873 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.144 1.258 -0.250 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.343 -0.145 1.287 1.00 6.41 C ATOM 0 H LEU A 43 -2.324 4.064 1.753 1.00 4.65 H new ATOM 0 HA LEU A 43 -1.931 1.645 3.396 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.075 3.185 1.526 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.402 1.792 2.477 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.897 1.782 0.554 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.198 0.601 -1.050 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.324 2.255 -0.652 1.00 9.55 H new ATOM 0 HD13 LEU A 43 1.068 0.864 0.173 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.691 -0.689 0.409 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.469 -0.647 1.702 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.136 -0.118 2.035 1.00 6.41 H new ATOM 699 N ILE A 44 -0.830 2.697 5.287 1.00 4.58 N ATOM 700 CA ILE A 44 -0.323 3.142 6.572 1.00 5.55 C ATOM 701 C ILE A 44 0.932 2.503 6.901 1.00 5.46 C ATOM 702 O ILE A 44 1.043 1.305 6.720 1.00 6.04 O ATOM 703 CB ILE A 44 -1.391 2.993 7.596 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.420 4.172 7.716 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.845 2.850 9.025 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.380 4.295 6.544 1.00 13.90 C ATOM 0 H ILE A 44 -1.070 1.706 5.323 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.073 4.202 6.534 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.885 2.097 7.220 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.998 4.040 8.630 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.870 5.108 7.818 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.676 2.745 9.723 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.208 1.968 9.084 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.264 3.735 9.283 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.054 5.135 6.712 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.815 4.461 5.627 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.961 3.377 6.451 1.00 13.90 H new ATOM 718 N PHE A 45 2.000 3.222 7.320 1.00 6.75 N ATOM 719 CA PHE A 45 3.168 2.562 7.809 1.00 4.70 C ATOM 720 C PHE A 45 3.820 3.558 8.756 1.00 6.34 C ATOM 721 O PHE A 45 3.732 4.766 8.576 1.00 5.45 O ATOM 722 CB PHE A 45 4.147 2.321 6.585 1.00 5.51 C ATOM 723 CG PHE A 45 5.525 1.783 6.933 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.667 0.642 7.784 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.640 2.491 6.427 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.969 0.152 7.979 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.949 2.030 6.781 1.00 6.64 C ATOM 728 CZ PHE A 45 8.088 0.846 7.482 1.00 6.84 C ATOM 0 H PHE A 45 2.049 4.241 7.318 1.00 6.75 H new ATOM 0 HA PHE A 45 2.943 1.612 8.293 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.670 1.625 5.895 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.270 3.264 6.052 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.813 0.179 8.255 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.508 3.354 5.792 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.114 -0.772 8.519 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.821 2.603 6.503 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.076 0.445 7.652 1.00 6.84 H new ATOM 738 N ALA A 46 4.457 3.048 9.866 1.00 6.53 N ATOM 739 CA ALA A 46 5.327 3.847 10.753 1.00 7.15 C ATOM 740 C ALA A 46 4.710 5.098 11.404 1.00 9.00 C ATOM 741 O ALA A 46 5.260 6.214 11.432 1.00 11.15 O ATOM 742 CB ALA A 46 6.612 4.373 10.009 1.00 8.99 C ATOM 0 H ALA A 46 4.371 2.073 10.154 1.00 6.53 H new ATOM 0 HA ALA A 46 5.537 3.118 11.535 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.221 4.955 10.701 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.191 3.526 9.640 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.315 5.002 9.170 1.00 8.99 H new ATOM 748 N GLY A 47 3.443 5.000 11.826 1.00 9.35 N ATOM 749 CA GLY A 47 2.752 6.157 12.370 1.00 11.68 C ATOM 750 C GLY A 47 2.220 7.203 11.396 1.00 11.14 C ATOM 751 O GLY A 47 1.819 8.357 11.735 1.00 13.93 O ATOM 0 H GLY A 47 2.890 4.143 11.799 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.911 5.795 12.961 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.433 6.658 13.058 1.00 11.68 H new ATOM 755 N LYS A 48 2.227 6.885 10.094 1.00 10.47 N ATOM 756 CA LYS A 48 1.864 7.803 9.016 1.00 8.82 C ATOM 757 C LYS A 48 1.274 7.091 7.836 1.00 7.68 C ATOM 758 O LYS A 48 1.101 5.888 7.880 1.00 6.47 O ATOM 759 CB LYS A 48 2.987 8.798 8.610 1.00 9.74 C ATOM 760 CG LYS A 48 4.348 8.181 8.294 1.00 14.14 C ATOM 761 CD LYS A 48 4.572 7.757 6.858 1.00 16.32 C ATOM 762 CE LYS A 48 5.925 7.053 6.705 1.00 20.04 C ATOM 763 NZ LYS A 48 7.035 7.685 7.521 1.00 23.92 N ATOM 0 H LYS A 48 2.492 5.959 9.758 1.00 10.47 H new ATOM 0 HA LYS A 48 1.080 8.432 9.438 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.652 9.356 7.736 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.116 9.518 9.418 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.121 8.900 8.563 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.486 7.310 8.934 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.771 7.089 6.542 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.535 8.630 6.206 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.817 6.009 7.001 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.211 7.058 5.653 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.948 7.271 7.244 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.053 8.710 7.348 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.867 7.508 8.532 1.00 23.92 H new ATOM 777 N GLN A 49 0.855 7.818 6.791 1.00 8.89 N ATOM 778 CA GLN A 49 0.157 7.420 5.613 1.00 7.18 C ATOM 779 C GLN A 49 1.014 7.730 4.380 1.00 8.23 C ATOM 780 O GLN A 49 1.663 8.823 4.266 1.00 9.70 O ATOM 781 CB GLN A 49 -1.236 8.039 5.485 1.00 11.67 C ATOM 782 CG GLN A 49 -2.004 7.692 4.207 1.00 15.82 C ATOM 783 CD GLN A 49 -3.419 8.202 4.305 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.326 7.592 4.864 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.661 9.327 3.609 1.00 20.67 N ATOM 0 H GLN A 49 1.032 8.822 6.775 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.010 6.345 5.688 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.833 7.725 6.342 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.138 9.123 5.545 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.508 8.134 3.343 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.007 6.613 4.056 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.893 9.819 3.152 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.612 9.688 3.538 1.00 20.67 H new ATOM 794 N LEU A 50 1.183 6.752 3.449 1.00 6.51 N ATOM 795 CA LEU A 50 1.987 6.884 2.279 1.00 7.41 C ATOM 796 C LEU A 50 1.231 7.478 1.196 1.00 8.27 C ATOM 797 O LEU A 50 0.043 7.187 0.987 1.00 8.34 O ATOM 798 CB LEU A 50 2.497 5.473 1.881 1.00 7.13 C ATOM 799 CG LEU A 50 3.237 4.677 3.013 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.602 3.256 2.517 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.428 5.503 3.608 1.00 9.11 C ATOM 0 H LEU A 50 0.736 5.838 3.526 1.00 6.51 H new ATOM 0 HA LEU A 50 2.831 7.543 2.484 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.647 4.881 1.541 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.173 5.576 1.032 1.00 7.13 H new ATOM 0 HG LEU A 50 2.567 4.528 3.859 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.115 2.714 3.311 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.693 2.722 2.242 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.256 3.331 1.648 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.919 4.923 4.389 1.00 9.11 H new ATOM 0 HD22 LEU A 50 5.145 5.728 2.818 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.050 6.434 4.031 1.00 9.11 H new ATOM 813 N GLU A 51 1.827 8.412 0.441 1.00 9.43 N ATOM 814 CA GLU A 51 1.134 9.258 -0.495 1.00 11.90 C ATOM 815 C GLU A 51 1.423 8.744 -1.893 1.00 11.49 C ATOM 816 O GLU A 51 2.486 8.268 -2.295 1.00 9.88 O ATOM 817 CB GLU A 51 1.634 10.692 -0.387 1.00 16.56 C ATOM 818 CG GLU A 51 1.556 11.290 1.028 1.00 26.06 C ATOM 819 CD GLU A 51 2.067 12.734 1.181 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.273 13.064 0.974 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.247 13.666 1.515 1.00 33.44 O ATOM 0 H GLU A 51 2.830 8.591 0.478 1.00 9.43 H new ATOM 0 HA GLU A 51 0.065 9.242 -0.281 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.669 10.729 -0.727 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.053 11.318 -1.065 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.518 11.257 1.358 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.126 10.651 1.703 1.00 26.06 H new ATOM 828 N ASP A 52 0.389 8.848 -2.807 1.00 12.71 N ATOM 829 CA ASP A 52 0.181 8.187 -4.123 1.00 16.56 C ATOM 830 C ASP A 52 1.319 8.398 -5.108 1.00 15.83 C ATOM 831 O ASP A 52 1.682 7.465 -5.808 1.00 17.21 O ATOM 832 CB ASP A 52 -1.126 8.721 -4.801 1.00 21.05 C ATOM 833 CG ASP A 52 -2.290 8.742 -3.823 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.823 7.681 -3.326 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.681 9.907 -3.541 1.00 25.82 O ATOM 0 H ASP A 52 -0.395 9.468 -2.601 1.00 12.71 H new ATOM 0 HA ASP A 52 0.119 7.123 -3.897 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.954 9.726 -5.185 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.378 8.092 -5.655 1.00 21.05 H new ATOM 840 N GLY A 53 1.846 9.639 -5.132 1.00 15.00 N ATOM 841 CA GLY A 53 2.850 10.014 -6.113 1.00 11.77 C ATOM 842 C GLY A 53 4.330 9.892 -5.625 1.00 11.10 C ATOM 843 O GLY A 53 5.215 10.431 -6.267 1.00 11.25 O ATOM 0 H GLY A 53 1.587 10.383 -4.484 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.723 9.390 -6.998 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.669 11.044 -6.421 1.00 11.77 H new ATOM 847 N ARG A 54 4.579 9.251 -4.508 1.00 8.53 N ATOM 848 CA ARG A 54 5.873 8.984 -3.946 1.00 9.05 C ATOM 849 C ARG A 54 6.044 7.490 -3.997 1.00 8.96 C ATOM 850 O ARG A 54 5.117 6.693 -4.208 1.00 11.60 O ATOM 851 CB ARG A 54 5.881 9.336 -2.474 1.00 7.97 C ATOM 852 CG ARG A 54 5.690 10.816 -2.103 1.00 9.62 C ATOM 853 CD ARG A 54 6.870 11.755 -2.635 1.00 12.20 C ATOM 854 NE ARG A 54 6.495 13.167 -2.257 1.00 18.23 N ATOM 855 CZ ARG A 54 7.240 14.234 -2.670 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.312 14.150 -3.463 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.700 15.411 -2.407 1.00 23.38 N ATOM 0 H ARG A 54 3.826 8.878 -3.930 1.00 8.53 H new ATOM 0 HA ARG A 54 6.638 9.546 -4.481 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.094 8.761 -1.985 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.829 9.002 -2.052 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.742 11.167 -2.512 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.623 10.907 -1.019 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.823 11.473 -2.187 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.985 11.660 -3.715 1.00 12.20 H new ATOM 0 HE ARG A 54 5.668 13.327 -1.681 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.625 13.241 -3.803 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.818 14.995 -3.728 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.799 15.464 -1.932 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.184 16.267 -2.679 1.00 23.38 H new ATOM 871 N THR A 55 7.234 6.981 -3.902 1.00 9.05 N ATOM 872 CA THR A 55 7.780 5.685 -4.179 1.00 9.03 C ATOM 873 C THR A 55 8.135 4.987 -2.840 1.00 8.15 C ATOM 874 O THR A 55 8.344 5.600 -1.836 1.00 5.91 O ATOM 875 CB THR A 55 9.024 5.605 -5.077 1.00 11.15 C ATOM 876 OG1 THR A 55 10.166 6.084 -4.388 1.00 11.95 O ATOM 877 CG2 THR A 55 8.876 6.478 -6.320 1.00 11.71 C ATOM 0 H THR A 55 7.983 7.585 -3.563 1.00 9.05 H new ATOM 0 HA THR A 55 6.987 5.200 -4.748 1.00 9.03 H new ATOM 0 HB THR A 55 9.134 4.557 -5.356 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.148 7.064 -4.367 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.775 6.396 -6.931 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.013 6.146 -6.897 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.734 7.516 -6.021 1.00 11.71 H new ATOM 885 N LEU A 56 8.316 3.626 -2.836 1.00 6.91 N ATOM 886 CA LEU A 56 8.646 2.808 -1.752 1.00 8.29 C ATOM 887 C LEU A 56 10.036 3.165 -1.173 1.00 8.05 C ATOM 888 O LEU A 56 10.236 3.197 0.072 1.00 10.17 O ATOM 889 CB LEU A 56 8.584 1.356 -2.152 1.00 6.60 C ATOM 890 CG LEU A 56 7.095 0.901 -2.451 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.072 -0.549 -2.928 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.181 1.023 -1.196 1.00 8.64 C ATOM 0 H LEU A 56 8.212 3.084 -3.694 1.00 6.91 H new ATOM 0 HA LEU A 56 7.913 2.982 -0.964 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.200 1.194 -3.037 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.001 0.740 -1.356 1.00 6.60 H new ATOM 0 HG LEU A 56 6.712 1.565 -3.226 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.044 -0.849 -3.130 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.663 -0.642 -3.839 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.493 -1.193 -2.156 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.171 0.700 -1.449 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.574 0.394 -0.397 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.158 2.060 -0.862 1.00 8.64 H new ATOM 904 N SER A 57 11.027 3.506 -2.048 1.00 8.92 N ATOM 905 CA SER A 57 12.281 4.104 -1.755 1.00 9.00 C ATOM 906 C SER A 57 12.205 5.363 -0.945 1.00 9.44 C ATOM 907 O SER A 57 12.985 5.521 0.009 1.00 10.91 O ATOM 908 CB SER A 57 13.103 4.328 -3.029 1.00 10.32 C ATOM 909 OG SER A 57 13.605 3.146 -3.622 1.00 13.59 O ATOM 0 H SER A 57 10.919 3.339 -3.048 1.00 8.92 H new ATOM 0 HA SER A 57 12.790 3.381 -1.118 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.483 4.850 -3.758 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.941 4.985 -2.794 1.00 10.32 H new ATOM 0 HG SER A 57 12.867 2.643 -4.024 1.00 13.59 H new ATOM 915 N ASP A 58 11.299 6.339 -1.268 1.00 9.11 N ATOM 916 CA ASP A 58 11.128 7.607 -0.572 1.00 7.91 C ATOM 917 C ASP A 58 10.894 7.418 0.919 1.00 9.12 C ATOM 918 O ASP A 58 11.480 8.119 1.711 1.00 8.61 O ATOM 919 CB ASP A 58 9.938 8.428 -1.120 1.00 8.41 C ATOM 920 CG ASP A 58 10.275 8.802 -2.546 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.240 9.646 -2.757 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.525 8.483 -3.485 1.00 11.70 O ATOM 0 H ASP A 58 10.656 6.236 -2.053 1.00 9.11 H new ATOM 0 HA ASP A 58 12.061 8.144 -0.743 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.018 7.845 -1.082 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.775 9.321 -0.516 1.00 8.41 H new ATOM 927 N TYR A 59 10.111 6.462 1.296 1.00 7.97 N ATOM 928 CA TYR A 59 9.781 6.150 2.633 1.00 8.45 C ATOM 929 C TYR A 59 10.712 5.106 3.182 1.00 10.98 C ATOM 930 O TYR A 59 10.537 4.676 4.301 1.00 12.95 O ATOM 931 CB TYR A 59 8.326 5.560 2.615 1.00 7.94 C ATOM 932 CG TYR A 59 7.383 6.624 2.175 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.342 7.847 2.855 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.688 6.471 0.997 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.442 8.878 2.500 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.693 7.457 0.670 1.00 6.52 C ATOM 937 CZ TYR A 59 5.574 8.661 1.390 1.00 6.76 C ATOM 938 OH TYR A 59 4.708 9.656 0.969 1.00 7.63 O ATOM 0 H TYR A 59 9.658 5.840 0.626 1.00 7.97 H new ATOM 0 HA TYR A 59 9.858 7.042 3.255 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.273 4.706 1.940 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.052 5.200 3.607 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.021 8.008 3.679 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.883 5.637 0.339 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.413 9.804 3.054 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.018 7.268 -0.151 1.00 6.52 H new ATOM 0 HH TYR A 59 5.098 10.533 1.165 1.00 7.63 H new ATOM 948 N ASN A 60 11.794 4.704 2.427 1.00 12.38 N ATOM 949 CA ASN A 60 12.873 3.843 2.892 1.00 13.94 C ATOM 950 C ASN A 60 12.429 2.361 3.158 1.00 14.16 C ATOM 951 O ASN A 60 13.126 1.681 3.921 1.00 14.26 O ATOM 952 CB ASN A 60 13.592 4.465 4.123 1.00 19.23 C ATOM 953 CG ASN A 60 14.108 5.826 3.786 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.000 6.026 2.925 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.723 6.796 4.633 1.00 24.09 N ATOM 0 H ASN A 60 11.914 4.994 1.457 1.00 12.38 H new ATOM 0 HA ASN A 60 13.590 3.783 2.073 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.901 4.528 4.963 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.416 3.823 4.435 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.158 7.718 4.584 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.996 6.611 5.324 1.00 24.09 H new ATOM 962 N ILE A 61 11.320 1.932 2.502 1.00 11.08 N ATOM 963 CA ILE A 61 10.765 0.634 2.645 1.00 11.78 C ATOM 964 C ILE A 61 11.709 -0.467 2.102 1.00 13.74 C ATOM 965 O ILE A 61 12.409 -0.372 1.072 1.00 14.60 O ATOM 966 CB ILE A 61 9.275 0.608 2.151 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.419 1.760 2.724 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.632 -0.724 2.366 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.056 1.920 2.128 1.00 11.42 C ATOM 0 H ILE A 61 10.802 2.522 1.851 1.00 11.08 H new ATOM 0 HA ILE A 61 10.694 0.376 3.702 1.00 11.78 H new ATOM 0 HB ILE A 61 9.320 0.776 1.075 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.309 1.606 3.797 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.965 2.694 2.590 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.603 -0.693 2.009 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.184 -1.487 1.817 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.640 -0.965 3.429 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.546 2.757 2.605 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.147 2.112 1.059 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.481 1.008 2.285 1.00 11.42 H new ATOM 981 N GLN A 62 11.644 -1.663 2.722 1.00 13.97 N ATOM 982 CA GLN A 62 12.599 -2.753 2.617 1.00 15.52 C ATOM 983 C GLN A 62 11.925 -4.108 2.443 1.00 13.94 C ATOM 984 O GLN A 62 10.734 -4.388 2.707 1.00 12.15 O ATOM 985 CB GLN A 62 13.531 -2.875 3.896 1.00 19.53 C ATOM 986 CG GLN A 62 14.339 -1.626 4.319 1.00 26.38 C ATOM 987 CD GLN A 62 15.362 -1.221 3.199 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.098 -2.111 2.737 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.362 0.037 2.764 1.00 32.71 N ATOM 0 H GLN A 62 10.870 -1.894 3.345 1.00 13.97 H new ATOM 0 HA GLN A 62 13.190 -2.504 1.736 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.907 -3.172 4.739 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.236 -3.687 3.721 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.660 -0.797 4.515 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.871 -1.829 5.248 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.734 0.722 3.184 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.990 0.316 2.010 1.00 32.71 H new ATOM 998 N LYS A 63 12.679 -5.147 2.033 1.00 11.73 N ATOM 999 CA LYS A 63 12.228 -6.513 1.867 1.00 11.97 C ATOM 1000 C LYS A 63 11.541 -7.151 3.057 1.00 10.41 C ATOM 1001 O LYS A 63 12.130 -7.194 4.166 1.00 9.59 O ATOM 1002 CB LYS A 63 13.413 -7.301 1.360 1.00 13.73 C ATOM 1003 CG LYS A 63 14.581 -7.595 2.297 1.00 16.98 C ATOM 1004 CD LYS A 63 15.696 -8.362 1.624 1.00 20.19 C ATOM 1005 CE LYS A 63 16.544 -7.569 0.616 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.234 -6.523 1.270 1.00 25.97 N ATOM 0 H LYS A 63 13.666 -5.034 1.801 1.00 11.73 H new ATOM 0 HA LYS A 63 11.409 -6.514 1.147 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.037 -8.258 0.998 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.813 -6.769 0.497 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.975 -6.655 2.684 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.219 -8.165 3.153 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.358 -8.755 2.396 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.262 -9.219 1.109 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.256 -8.234 0.127 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.904 -7.159 -0.165 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.974 -6.149 0.642 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.566 -5.763 1.509 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.671 -6.887 2.141 1.00 25.97 H new ATOM 1020 N GLU A 64 10.288 -7.660 2.940 1.00 10.04 N ATOM 1021 CA GLU A 64 9.527 -8.309 3.949 1.00 10.94 C ATOM 1022 C GLU A 64 8.998 -7.361 5.015 1.00 9.74 C ATOM 1023 O GLU A 64 8.375 -7.721 5.982 1.00 9.42 O ATOM 1024 CB GLU A 64 10.261 -9.528 4.479 1.00 18.31 C ATOM 1025 CG GLU A 64 10.357 -10.579 3.361 1.00 24.16 C ATOM 1026 CD GLU A 64 10.973 -11.901 3.770 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.248 -12.760 4.395 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.152 -12.111 3.435 1.00 31.72 O ATOM 0 H GLU A 64 9.778 -7.605 2.059 1.00 10.04 H new ATOM 0 HA GLU A 64 8.614 -8.686 3.487 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.258 -9.249 4.820 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.734 -9.940 5.339 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.355 -10.767 2.974 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.942 -10.162 2.541 1.00 24.16 H new ATOM 1035 N SER A 65 8.993 -6.083 4.669 1.00 6.85 N ATOM 1036 CA SER A 65 8.180 -5.022 5.289 1.00 6.90 C ATOM 1037 C SER A 65 6.667 -5.253 5.247 1.00 4.72 C ATOM 1038 O SER A 65 6.123 -5.855 4.324 1.00 3.91 O ATOM 1039 CB SER A 65 8.503 -3.557 4.852 1.00 7.28 C ATOM 1040 OG SER A 65 8.326 -2.533 5.866 1.00 10.56 O ATOM 0 H SER A 65 9.580 -5.730 3.913 1.00 6.85 H new ATOM 0 HA SER A 65 8.507 -5.117 6.325 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.536 -3.522 4.506 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.873 -3.307 3.999 1.00 7.28 H new ATOM 0 HG SER A 65 8.556 -1.657 5.490 1.00 10.56 H new ATOM 1046 N THR A 66 5.983 -4.734 6.341 1.00 4.48 N ATOM 1047 CA THR A 66 4.545 -4.839 6.541 1.00 3.80 C ATOM 1048 C THR A 66 4.027 -3.456 6.509 1.00 4.60 C ATOM 1049 O THR A 66 4.382 -2.570 7.328 1.00 5.33 O ATOM 1050 CB THR A 66 4.091 -5.379 7.888 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.588 -6.745 8.033 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.577 -5.593 7.865 1.00 3.40 C ATOM 0 H THR A 66 6.455 -4.233 7.094 1.00 4.48 H new ATOM 0 HA THR A 66 4.188 -5.527 5.775 1.00 3.80 H new ATOM 0 HB THR A 66 4.429 -4.687 8.659 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.304 -7.106 8.899 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.250 -5.980 8.830 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.078 -4.644 7.667 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.322 -6.307 7.082 1.00 3.40 H new ATOM 1060 N LEU A 67 3.087 -3.169 5.525 1.00 4.17 N ATOM 1061 CA LEU A 67 2.386 -1.922 5.417 1.00 3.85 C ATOM 1062 C LEU A 67 0.936 -2.244 5.676 1.00 3.80 C ATOM 1063 O LEU A 67 0.367 -3.264 5.326 1.00 5.54 O ATOM 1064 CB LEU A 67 2.438 -1.387 3.965 1.00 7.18 C ATOM 1065 CG LEU A 67 3.874 -1.358 3.367 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.777 -0.751 2.007 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.979 -0.580 4.134 1.00 11.66 C ATOM 0 H LEU A 67 2.828 -3.839 4.800 1.00 4.17 H new ATOM 0 HA LEU A 67 2.821 -1.193 6.100 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.802 -2.008 3.334 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.023 -0.379 3.942 1.00 7.18 H new ATOM 0 HG LEU A 67 4.198 -2.398 3.406 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.768 -0.713 1.554 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.116 -1.355 1.385 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.376 0.259 2.087 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.921 -0.654 3.590 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.692 0.468 4.221 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.100 -1.007 5.130 1.00 11.66 H new ATOM 1079 N HIS A 68 0.255 -1.316 6.396 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.088 -1.551 6.808 1.00 4.17 C ATOM 1081 C HIS A 68 -2.021 -0.924 5.708 1.00 5.32 C ATOM 1082 O HIS A 68 -1.679 0.120 5.138 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.403 -0.925 8.187 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.772 -1.654 9.342 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.489 -1.256 9.806 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.071 -2.755 9.992 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.906 -2.198 10.665 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.032 -3.080 10.882 1.00 16.30 N ATOM 0 H HIS A 68 0.639 -0.416 6.684 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.250 -2.624 6.916 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.062 0.110 8.192 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.484 -0.905 8.328 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.979 -3.325 9.862 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.887 -2.224 11.117 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.015 -3.845 11.556 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.115 -1.610 5.437 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.046 -1.217 4.420 1.00 3.97 C ATOM 1098 C LEU A 69 -5.389 -0.934 5.023 1.00 5.07 C ATOM 1099 O LEU A 69 -6.047 -1.787 5.583 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.226 -2.354 3.393 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.420 -2.276 2.422 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.391 -1.010 1.535 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.473 -3.553 1.489 1.00 9.96 C ATOM 0 H LEU A 69 -3.377 -2.465 5.928 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.652 -0.324 3.936 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.315 -2.411 2.797 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.306 -3.291 3.944 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.312 -2.231 3.047 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.256 -1.010 0.872 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.418 -0.122 2.167 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.478 -1.004 0.940 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.324 -3.474 0.813 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.553 -3.618 0.908 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.578 -4.448 2.103 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.874 0.320 4.877 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.275 0.637 5.213 1.00 6.26 C ATOM 1117 C VAL A 70 -8.056 1.124 4.039 1.00 9.22 C ATOM 1118 O VAL A 70 -7.539 1.670 3.071 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.454 1.582 6.423 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.567 1.008 7.588 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.990 3.004 6.051 1.00 8.54 C ATOM 0 H VAL A 70 -5.328 1.111 4.536 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.687 -0.324 5.521 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.500 1.639 6.725 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.663 1.646 8.466 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.898 -0.001 7.834 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.524 0.980 7.272 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -7.119 3.665 6.908 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.938 2.981 5.766 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.584 3.374 5.215 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.354 0.838 4.117 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.174 0.822 2.895 1.00 16.06 C ATOM 1133 C LEU A 71 -11.301 1.826 3.145 1.00 18.09 C ATOM 1134 O LEU A 71 -11.606 2.192 4.260 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.666 -0.622 2.629 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.531 -1.580 2.258 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.042 -3.052 2.081 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.017 -0.954 0.958 1.00 19.57 C ATOM 0 H LEU A 71 -9.853 0.620 4.980 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.630 1.112 1.996 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.175 -0.996 3.517 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.400 -0.608 1.824 1.00 17.10 H new ATOM 0 HG LEU A 71 -8.757 -1.681 3.019 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.205 -3.699 1.818 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.488 -3.397 3.014 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.789 -3.085 1.288 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.188 -1.546 0.572 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.821 -0.932 0.222 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.676 0.063 1.154 1.00 19.57 H new