USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 55 THR OG1 : rot -33:sc= 1.41 USER MOD Set 1.2: A 57 SER OG : rot -35:sc= 0.101 USER MOD Set 2.1: A 7 THR OG1 : rot 116:sc= 0.509 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.127 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -144:sc= 1.2 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 1.08 USER MOD Single : A 1 MET CE :methyl 159:sc= -0.295 (180deg=-0.879) USER MOD Single : A 1 MET N :NH3+ -167:sc= 2.41 (180deg=2.25) USER MOD Single : A 2 GLN : amide:sc= 0.0933 K(o=0.093,f=-0.5) USER MOD Single : A 11 LYS NZ :NH3+ -152:sc= 1.29 (180deg=1.15) USER MOD Single : A 14 THR OG1 : rot -59:sc= 0.41 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.77 K(o=0.77,f=-1.3!) USER MOD Single : A 27 LYS NZ :NH3+ -152:sc= 0.928 (180deg=-0.0202!) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= -0.175 (180deg=-0.522) USER MOD Single : A 31 GLN : amide:sc= -0.87 K(o=-0.87,f=-1.9) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.26 K(o=-0.26,f=-1.5) USER MOD Single : A 41 GLN : amide:sc= 0.0134 K(o=0.013,f=-4.4!) USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00918) USER MOD Single : A 49 GLN : amide:sc= -0.165 K(o=-0.16,f=-0.81) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.308 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.13) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0187 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=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.769 -7.592 -4.267 1.00 9.67 N ATOM 2 CA MET A 1 11.578 -7.821 -2.861 1.00 10.38 C ATOM 3 C MET A 1 10.169 -8.127 -2.544 1.00 9.62 C ATOM 4 O MET A 1 9.213 -7.690 -3.168 1.00 9.62 O ATOM 5 CB MET A 1 12.077 -6.632 -1.978 1.00 13.77 C ATOM 6 CG MET A 1 11.257 -5.404 -1.874 1.00 16.29 C ATOM 7 SD MET A 1 11.830 -4.155 -0.705 1.00 17.17 S ATOM 8 CE MET A 1 10.411 -2.960 -0.839 1.00 16.11 C ATOM 0 H1 MET A 1 12.786 -7.599 -4.485 1.00 9.67 H new ATOM 0 H2 MET A 1 11.294 -8.342 -4.809 1.00 9.67 H new ATOM 0 H3 MET A 1 11.366 -6.669 -4.526 1.00 9.67 H new ATOM 0 HA MET A 1 12.190 -8.690 -2.619 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.221 -7.014 -0.968 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.058 -6.338 -2.351 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.199 -4.947 -2.862 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.243 -5.692 -1.597 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.384 -2.327 0.048 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.541 -2.338 -1.725 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.475 -3.514 -0.919 1.00 16.11 H new ATOM 20 N GLN A 2 9.910 -8.924 -1.464 1.00 9.27 N ATOM 21 CA GLN A 2 8.604 -9.106 -0.871 1.00 9.07 C ATOM 22 C GLN A 2 8.234 -7.988 0.016 1.00 8.72 C ATOM 23 O GLN A 2 9.009 -7.437 0.803 1.00 8.22 O ATOM 24 CB GLN A 2 8.508 -10.387 0.020 1.00 14.46 C ATOM 25 CG GLN A 2 8.890 -11.780 -0.579 1.00 17.01 C ATOM 26 CD GLN A 2 7.856 -12.471 -1.442 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.339 -13.489 -0.943 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.649 -12.069 -2.760 1.00 19.49 N ATOM 0 H GLN A 2 10.640 -9.458 -0.992 1.00 9.27 H new ATOM 0 HA GLN A 2 7.937 -9.179 -1.730 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.140 -10.224 0.893 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.481 -10.458 0.379 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.796 -11.655 -1.172 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.139 -12.446 0.247 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.100 -11.225 -3.113 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.046 -12.619 -3.372 1.00 19.49 H new ATOM 37 N ILE A 3 6.892 -7.756 0.030 1.00 5.87 N ATOM 38 CA ILE A 3 6.319 -6.983 1.093 1.00 5.07 C ATOM 39 C ILE A 3 4.989 -7.535 1.355 1.00 4.01 C ATOM 40 O ILE A 3 4.457 -8.306 0.561 1.00 4.61 O ATOM 41 CB ILE A 3 6.266 -5.448 0.822 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.319 -5.123 -0.358 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.699 -4.761 0.807 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.105 -3.556 -0.473 1.00 10.83 C ATOM 0 H ILE A 3 6.232 -8.093 -0.671 1.00 5.87 H new ATOM 0 HA ILE A 3 6.964 -7.064 1.968 1.00 5.07 H new ATOM 0 HB ILE A 3 5.802 -4.958 1.678 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.738 -5.509 -1.287 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.359 -5.619 -0.211 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.589 -3.694 0.613 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.182 -4.906 1.773 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.310 -5.211 0.024 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.437 -3.340 -1.307 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.665 -3.180 0.451 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.065 -3.069 -0.642 1.00 10.83 H new ATOM 56 N PHE A 4 4.358 -7.207 2.494 1.00 4.55 N ATOM 57 CA PHE A 4 3.154 -7.761 2.998 1.00 4.68 C ATOM 58 C PHE A 4 2.142 -6.644 3.305 1.00 5.30 C ATOM 59 O PHE A 4 2.484 -5.680 4.011 1.00 5.58 O ATOM 60 CB PHE A 4 3.353 -8.638 4.239 1.00 4.83 C ATOM 61 CG PHE A 4 4.385 -9.796 4.109 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.264 -10.717 3.084 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.504 -9.687 4.844 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.317 -11.599 2.786 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.645 -10.503 4.547 1.00 10.61 C ATOM 66 CZ PHE A 4 6.517 -11.476 3.518 1.00 8.90 C ATOM 0 H PHE A 4 4.731 -6.487 3.113 1.00 4.55 H new ATOM 0 HA PHE A 4 2.769 -8.414 2.214 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.661 -7.997 5.065 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.389 -9.068 4.512 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.352 -10.759 2.507 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.544 -8.982 5.661 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.211 -12.350 2.018 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.572 -10.382 5.088 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.348 -12.128 3.294 1.00 8.90 H new ATOM 76 N VAL A 5 0.888 -6.713 2.800 1.00 4.44 N ATOM 77 CA VAL A 5 -0.133 -5.741 3.108 1.00 3.87 C ATOM 78 C VAL A 5 -1.149 -6.436 4.008 1.00 4.93 C ATOM 79 O VAL A 5 -1.684 -7.536 3.711 1.00 6.84 O ATOM 80 CB VAL A 5 -0.783 -5.170 1.885 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.817 -4.062 2.205 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.221 -4.618 0.896 1.00 9.13 C ATOM 0 H VAL A 5 0.577 -7.452 2.170 1.00 4.44 H new ATOM 0 HA VAL A 5 0.316 -4.885 3.611 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.304 -6.017 1.437 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.251 -3.690 1.277 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.606 -4.472 2.836 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.323 -3.243 2.728 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.305 -4.217 0.029 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.799 -3.824 1.369 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.893 -5.415 0.576 1.00 9.13 H new ATOM 92 N LYS A 6 -1.457 -5.887 5.145 1.00 6.04 N ATOM 93 CA LYS A 6 -2.461 -6.455 6.045 1.00 6.12 C ATOM 94 C LYS A 6 -3.740 -5.691 5.857 1.00 6.57 C ATOM 95 O LYS A 6 -3.693 -4.503 5.561 1.00 5.76 O ATOM 96 CB LYS A 6 -2.029 -6.294 7.550 1.00 7.45 C ATOM 97 CG LYS A 6 -0.757 -7.064 8.034 1.00 11.12 C ATOM 98 CD LYS A 6 -1.013 -8.522 7.870 1.00 14.54 C ATOM 99 CE LYS A 6 -2.053 -9.100 8.830 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.062 -10.558 8.931 1.00 20.55 N ATOM 0 H LYS A 6 -1.027 -5.029 5.491 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.576 -7.514 5.816 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.870 -5.233 7.740 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.867 -6.607 8.173 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.115 -6.762 7.454 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.543 -6.829 9.077 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.341 -8.707 6.847 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.075 -9.059 8.006 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.879 -8.684 9.822 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.041 -8.767 8.513 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -3.040 -10.892 9.049 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.658 -10.968 8.065 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.494 -10.853 9.751 1.00 20.55 H new ATOM 114 N THR A 7 -4.844 -6.337 6.039 1.00 7.41 N ATOM 115 CA THR A 7 -6.142 -5.854 5.590 1.00 7.48 C ATOM 116 C THR A 7 -7.208 -5.821 6.763 1.00 8.75 C ATOM 117 O THR A 7 -7.121 -6.584 7.710 1.00 8.58 O ATOM 118 CB THR A 7 -6.700 -6.607 4.392 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.292 -7.867 4.738 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.635 -6.948 3.422 1.00 9.17 C ATOM 0 H THR A 7 -4.888 -7.239 6.514 1.00 7.41 H new ATOM 0 HA THR A 7 -5.955 -4.832 5.260 1.00 7.48 H new ATOM 0 HB THR A 7 -7.446 -5.928 3.979 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.252 -7.842 4.542 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.069 -7.485 2.579 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.162 -6.033 3.065 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.889 -7.577 3.907 1.00 9.17 H new ATOM 128 N LEU A 8 -8.304 -5.025 6.588 1.00 9.84 N ATOM 129 CA LEU A 8 -9.298 -4.904 7.621 1.00 14.15 C ATOM 130 C LEU A 8 -10.008 -6.269 7.797 1.00 17.37 C ATOM 131 O LEU A 8 -10.441 -6.573 8.880 1.00 17.01 O ATOM 132 CB LEU A 8 -10.392 -3.843 7.419 1.00 16.63 C ATOM 133 CG LEU A 8 -9.976 -2.406 7.143 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.220 -1.498 7.089 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.942 -1.955 8.106 1.00 18.59 C ATOM 0 H LEU A 8 -8.492 -4.480 5.747 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.730 -4.578 8.493 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -11.020 -4.170 6.590 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -11.018 -3.840 8.311 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.503 -2.343 6.163 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.913 -0.471 6.891 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.884 -1.838 6.294 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.744 -1.542 8.044 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.664 -0.925 7.885 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.338 -2.014 9.120 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.063 -2.594 8.022 1.00 18.59 H new ATOM 147 N THR A 9 -10.079 -7.164 6.738 1.00 18.33 N ATOM 148 CA THR A 9 -10.765 -8.438 6.826 1.00 19.24 C ATOM 149 C THR A 9 -9.857 -9.518 7.278 1.00 19.48 C ATOM 150 O THR A 9 -10.309 -10.637 7.338 1.00 23.14 O ATOM 151 CB THR A 9 -11.290 -8.850 5.445 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.364 -8.545 4.384 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.487 -7.997 5.077 1.00 19.70 C ATOM 0 H THR A 9 -9.655 -6.988 5.827 1.00 18.33 H new ATOM 0 HA THR A 9 -11.577 -8.308 7.542 1.00 19.24 H new ATOM 0 HB THR A 9 -11.490 -9.919 5.526 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.744 -8.828 3.526 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.857 -8.293 4.095 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.274 -8.136 5.818 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.192 -6.948 5.052 1.00 19.70 H new ATOM 161 N GLY A 10 -8.574 -9.229 7.516 1.00 19.43 N ATOM 162 CA GLY A 10 -7.671 -10.163 8.144 1.00 18.74 C ATOM 163 C GLY A 10 -6.615 -10.819 7.316 1.00 17.62 C ATOM 164 O GLY A 10 -5.958 -11.767 7.692 1.00 19.74 O ATOM 0 H GLY A 10 -8.144 -8.336 7.274 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.172 -9.640 8.960 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.274 -10.952 8.593 1.00 18.74 H new ATOM 168 N LYS A 11 -6.363 -10.410 6.119 1.00 13.56 N ATOM 169 CA LYS A 11 -5.447 -11.100 5.220 1.00 11.91 C ATOM 170 C LYS A 11 -4.023 -10.628 5.309 1.00 10.18 C ATOM 171 O LYS A 11 -3.775 -9.518 5.743 1.00 9.10 O ATOM 172 CB LYS A 11 -5.873 -10.895 3.782 1.00 13.43 C ATOM 173 CG LYS A 11 -5.523 -12.135 2.981 1.00 16.69 C ATOM 174 CD LYS A 11 -5.999 -12.171 1.501 1.00 17.92 C ATOM 175 CE LYS A 11 -7.369 -12.753 1.352 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.601 -13.011 -0.094 1.00 21.93 N ATOM 0 H LYS A 11 -6.785 -9.575 5.713 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.489 -12.144 5.530 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.945 -10.704 3.731 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -5.373 -10.022 3.362 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.439 -12.252 2.992 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.942 -13.000 3.494 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -5.992 -11.159 1.096 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -5.294 -12.755 0.910 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.455 -13.677 1.923 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.120 -12.066 1.742 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.619 -12.953 -0.298 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.094 -12.300 -0.659 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.252 -13.960 -0.338 1.00 21.93 H new ATOM 190 N THR A 12 -3.054 -11.445 4.870 1.00 9.63 N ATOM 191 CA THR A 12 -1.706 -10.999 4.638 1.00 9.85 C ATOM 192 C THR A 12 -1.457 -11.122 3.163 1.00 11.66 C ATOM 193 O THR A 12 -1.324 -12.221 2.683 1.00 12.33 O ATOM 194 CB THR A 12 -0.581 -11.816 5.352 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.789 -11.846 6.798 1.00 10.91 O ATOM 196 CG2 THR A 12 0.714 -11.101 5.057 1.00 9.63 C ATOM 0 H THR A 12 -3.202 -12.434 4.670 1.00 9.63 H new ATOM 0 HA THR A 12 -1.649 -9.988 5.041 1.00 9.85 H new ATOM 0 HB THR A 12 -0.577 -12.846 4.996 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.073 -12.365 7.221 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.539 -11.631 5.534 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.876 -11.072 3.980 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.664 -10.083 5.444 1.00 9.63 H new ATOM 204 N ILE A 13 -1.403 -10.017 2.406 1.00 10.42 N ATOM 205 CA ILE A 13 -1.202 -10.062 0.954 1.00 11.84 C ATOM 206 C ILE A 13 0.298 -9.976 0.771 1.00 10.55 C ATOM 207 O ILE A 13 0.876 -9.033 1.320 1.00 11.92 O ATOM 208 CB ILE A 13 -1.872 -8.839 0.249 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.296 -8.686 0.762 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.847 -8.948 -1.289 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.987 -7.495 0.145 1.00 16.46 C ATOM 0 H ILE A 13 -1.497 -9.073 2.782 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.641 -10.961 0.522 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.292 -7.950 0.496 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.862 -9.591 0.540 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.282 -8.577 1.846 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.326 -8.071 -1.724 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.814 -9.005 -1.633 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.383 -9.845 -1.599 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.001 -7.420 0.537 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.435 -6.587 0.390 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.024 -7.616 -0.938 1.00 16.46 H new ATOM 223 N THR A 14 0.963 -10.905 0.026 1.00 9.39 N ATOM 224 CA THR A 14 2.361 -10.801 -0.449 1.00 9.63 C ATOM 225 C THR A 14 2.195 -10.083 -1.756 1.00 11.20 C ATOM 226 O THR A 14 1.470 -10.505 -2.686 1.00 11.63 O ATOM 227 CB THR A 14 3.038 -12.145 -0.593 1.00 10.38 C ATOM 228 OG1 THR A 14 2.977 -12.859 0.673 1.00 16.30 O ATOM 229 CG2 THR A 14 4.481 -12.092 -1.033 1.00 11.66 C ATOM 0 H THR A 14 0.518 -11.775 -0.267 1.00 9.39 H new ATOM 0 HA THR A 14 3.018 -10.281 0.249 1.00 9.63 H new ATOM 0 HB THR A 14 2.490 -12.655 -1.386 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.420 -12.330 1.369 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.876 -13.105 -1.107 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.547 -11.605 -2.006 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.063 -11.527 -0.305 1.00 11.66 H new ATOM 237 N LEU A 15 3.037 -9.085 -1.942 1.00 8.29 N ATOM 238 CA LEU A 15 3.192 -8.318 -3.188 1.00 9.03 C ATOM 239 C LEU A 15 4.680 -8.329 -3.458 1.00 8.59 C ATOM 240 O LEU A 15 5.528 -8.335 -2.564 1.00 7.79 O ATOM 241 CB LEU A 15 2.716 -6.890 -3.060 1.00 11.08 C ATOM 242 CG LEU A 15 1.192 -6.721 -2.800 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.754 -5.302 -2.516 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.337 -7.310 -3.955 1.00 15.27 C ATOM 0 H LEU A 15 3.664 -8.764 -1.204 1.00 8.29 H new ATOM 0 HA LEU A 15 2.595 -8.760 -3.986 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.262 -6.413 -2.246 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.974 -6.355 -3.974 1.00 11.08 H new ATOM 0 HG LEU A 15 1.016 -7.290 -1.887 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.323 -5.280 -2.347 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.268 -4.933 -1.628 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.001 -4.668 -3.368 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.721 -7.171 -3.732 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.582 -6.799 -4.886 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.549 -8.374 -4.058 1.00 15.27 H new ATOM 256 N GLU A 16 5.082 -8.354 -4.815 1.00 11.04 N ATOM 257 CA GLU A 16 6.437 -8.267 -5.255 1.00 11.50 C ATOM 258 C GLU A 16 6.644 -6.912 -5.880 1.00 10.13 C ATOM 259 O GLU A 16 6.057 -6.579 -6.895 1.00 9.83 O ATOM 260 CB GLU A 16 6.739 -9.453 -6.240 1.00 17.22 C ATOM 261 CG GLU A 16 8.171 -9.393 -6.776 1.00 23.33 C ATOM 262 CD GLU A 16 9.273 -9.780 -5.825 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.145 -10.678 -4.965 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.345 -9.100 -5.880 1.00 28.86 O ATOM 0 H GLU A 16 4.416 -8.438 -5.583 1.00 11.04 H new ATOM 0 HA GLU A 16 7.138 -8.361 -4.425 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.582 -10.402 -5.726 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.037 -9.422 -7.073 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.233 -10.042 -7.649 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.362 -8.377 -7.120 1.00 23.33 H new ATOM 271 N VAL A 17 7.513 -6.227 -5.280 1.00 8.99 N ATOM 272 CA VAL A 17 7.929 -4.871 -5.541 1.00 8.85 C ATOM 273 C VAL A 17 9.437 -4.830 -5.595 1.00 8.04 C ATOM 274 O VAL A 17 10.146 -5.657 -5.045 1.00 8.99 O ATOM 275 CB VAL A 17 7.384 -3.916 -4.509 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.875 -3.912 -4.607 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.853 -4.254 -3.085 1.00 10.54 C ATOM 0 H VAL A 17 8.029 -6.624 -4.495 1.00 8.99 H new ATOM 0 HA VAL A 17 7.525 -4.547 -6.500 1.00 8.85 H new ATOM 0 HB VAL A 17 7.772 -2.919 -4.717 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.464 -3.226 -3.867 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.576 -3.591 -5.605 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.496 -4.917 -4.420 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.431 -3.535 -2.383 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.520 -5.258 -2.821 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.941 -4.209 -3.040 1.00 10.54 H new ATOM 287 N GLU A 18 9.977 -3.852 -6.267 1.00 7.29 N ATOM 288 CA GLU A 18 11.342 -3.373 -6.067 1.00 7.08 C ATOM 289 C GLU A 18 11.130 -2.069 -5.377 1.00 6.45 C ATOM 290 O GLU A 18 10.114 -1.426 -5.638 1.00 5.28 O ATOM 291 CB GLU A 18 12.029 -3.091 -7.439 1.00 10.28 C ATOM 292 CG GLU A 18 12.538 -4.364 -8.173 1.00 12.65 C ATOM 293 CD GLU A 18 13.418 -5.184 -7.227 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.563 -4.801 -6.922 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.955 -6.210 -6.740 1.00 18.17 O ATOM 0 H GLU A 18 9.475 -3.342 -6.994 1.00 7.29 H new ATOM 0 HA GLU A 18 11.965 -4.085 -5.525 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.322 -2.571 -8.086 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.871 -2.417 -7.279 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.693 -4.964 -8.511 1.00 12.65 H new ATOM 0 HG3 GLU A 18 13.105 -4.082 -9.061 1.00 12.65 H new ATOM 302 N PRO A 19 12.041 -1.578 -4.498 1.00 7.24 N ATOM 303 CA PRO A 19 11.881 -0.462 -3.609 1.00 7.07 C ATOM 304 C PRO A 19 11.664 0.959 -4.270 1.00 6.65 C ATOM 305 O PRO A 19 11.472 1.943 -3.605 1.00 6.37 O ATOM 306 CB PRO A 19 13.165 -0.468 -2.790 1.00 7.61 C ATOM 307 CG PRO A 19 14.279 -0.992 -3.762 1.00 8.16 C ATOM 308 CD PRO A 19 13.459 -2.020 -4.547 1.00 7.49 C ATOM 0 HA PRO A 19 10.958 -0.594 -3.045 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.402 0.531 -2.424 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.071 -1.113 -1.917 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.685 -0.205 -4.398 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.120 -1.441 -3.234 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.807 -2.084 -5.578 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.568 -3.013 -4.112 1.00 7.49 H new ATOM 316 N SER A 20 11.788 0.928 -5.580 1.00 6.80 N ATOM 317 CA SER A 20 11.590 2.057 -6.455 1.00 6.28 C ATOM 318 C SER A 20 10.164 1.992 -7.046 1.00 8.45 C ATOM 319 O SER A 20 9.846 2.859 -7.848 1.00 7.26 O ATOM 320 CB SER A 20 12.564 2.041 -7.680 1.00 8.57 C ATOM 321 OG SER A 20 13.929 1.964 -7.247 1.00 11.13 O ATOM 0 H SER A 20 12.041 0.077 -6.083 1.00 6.80 H new ATOM 0 HA SER A 20 11.765 2.951 -5.857 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.333 1.191 -8.322 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.418 2.941 -8.278 1.00 8.57 H new ATOM 0 HG SER A 20 14.520 1.954 -8.029 1.00 11.13 H new ATOM 327 N ASP A 21 9.271 0.973 -6.759 1.00 7.50 N ATOM 328 CA ASP A 21 7.873 1.093 -6.971 1.00 7.70 C ATOM 329 C ASP A 21 7.172 2.171 -6.272 1.00 7.08 C ATOM 330 O ASP A 21 7.398 2.377 -5.094 1.00 8.11 O ATOM 331 CB ASP A 21 7.181 -0.285 -6.679 1.00 11.00 C ATOM 332 CG ASP A 21 7.460 -1.107 -7.923 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.898 -0.650 -8.998 1.00 18.03 O ATOM 334 OD2 ASP A 21 8.064 -2.226 -7.960 1.00 14.36 O ATOM 0 H ASP A 21 9.554 0.070 -6.377 1.00 7.50 H new ATOM 0 HA ASP A 21 7.789 1.384 -8.018 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.593 -0.758 -5.788 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.111 -0.166 -6.511 1.00 11.00 H new ATOM 339 N THR A 22 6.342 2.974 -6.936 1.00 5.37 N ATOM 340 CA THR A 22 5.485 3.962 -6.440 1.00 6.01 C ATOM 341 C THR A 22 4.312 3.415 -5.617 1.00 8.01 C ATOM 342 O THR A 22 3.744 2.349 -5.878 1.00 8.11 O ATOM 343 CB THR A 22 4.892 4.991 -7.383 1.00 8.92 C ATOM 344 OG1 THR A 22 4.163 4.396 -8.455 1.00 10.22 O ATOM 345 CG2 THR A 22 6.005 5.817 -8.050 1.00 9.65 C ATOM 0 H THR A 22 6.274 2.911 -7.952 1.00 5.37 H new ATOM 0 HA THR A 22 6.227 4.487 -5.839 1.00 6.01 H new ATOM 0 HB THR A 22 4.232 5.602 -6.767 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.800 5.099 -9.033 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.560 6.550 -8.723 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.585 6.332 -7.284 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.660 5.155 -8.616 1.00 9.65 H new ATOM 353 N ILE A 23 3.800 4.230 -4.652 1.00 8.32 N ATOM 354 CA ILE A 23 2.690 3.871 -3.838 1.00 9.92 C ATOM 355 C ILE A 23 1.456 3.856 -4.595 1.00 10.01 C ATOM 356 O ILE A 23 0.530 3.079 -4.293 1.00 8.71 O ATOM 357 CB ILE A 23 2.593 4.886 -2.655 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.915 5.233 -1.913 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.419 4.419 -1.748 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.799 4.107 -1.458 1.00 12.30 C ATOM 0 H ILE A 23 4.177 5.155 -4.446 1.00 8.32 H new ATOM 0 HA ILE A 23 2.842 2.862 -3.456 1.00 9.92 H new ATOM 0 HB ILE A 23 2.379 5.873 -3.066 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.505 5.873 -2.569 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.657 5.827 -1.036 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.316 5.103 -0.906 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.494 4.412 -2.325 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.623 3.415 -1.377 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.679 4.514 -0.959 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.250 3.471 -0.764 1.00 12.30 H new ATOM 0 HD13 ILE A 23 5.111 3.518 -2.320 1.00 12.30 H new ATOM 372 N GLU A 24 1.336 4.600 -5.713 1.00 9.54 N ATOM 373 CA GLU A 24 0.220 4.420 -6.671 1.00 11.81 C ATOM 374 C GLU A 24 0.247 3.030 -7.362 1.00 11.14 C ATOM 375 O GLU A 24 -0.764 2.410 -7.667 1.00 10.62 O ATOM 376 CB GLU A 24 0.259 5.550 -7.736 1.00 19.24 C ATOM 377 CG GLU A 24 -0.987 5.446 -8.635 1.00 27.76 C ATOM 378 CD GLU A 24 -0.851 6.466 -9.834 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.255 7.025 -10.094 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.890 6.653 -10.466 1.00 34.80 O ATOM 0 H GLU A 24 1.996 5.331 -5.977 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.710 4.474 -6.105 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.289 6.524 -7.248 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.164 5.467 -8.338 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.091 4.430 -9.016 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.886 5.663 -8.058 1.00 27.76 H new ATOM 387 N ASN A 25 1.460 2.511 -7.689 1.00 9.43 N ATOM 388 CA ASN A 25 1.663 1.180 -8.263 1.00 10.96 C ATOM 389 C ASN A 25 1.192 0.116 -7.273 1.00 9.68 C ATOM 390 O ASN A 25 0.644 -0.915 -7.664 1.00 9.33 O ATOM 391 CB ASN A 25 3.112 0.831 -8.666 1.00 16.78 C ATOM 392 CG ASN A 25 3.188 -0.294 -9.711 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.302 -0.434 -10.548 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.281 -1.069 -9.756 1.00 24.70 N ATOM 0 H ASN A 25 2.331 3.025 -7.554 1.00 9.43 H new ATOM 0 HA ASN A 25 1.082 1.196 -9.185 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.598 1.722 -9.063 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.669 0.533 -7.778 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.376 -1.775 -10.486 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.018 -0.953 -9.060 1.00 24.70 H new ATOM 401 N VAL A 26 1.527 0.284 -5.973 1.00 6.52 N ATOM 402 CA VAL A 26 1.261 -0.676 -4.931 1.00 5.53 C ATOM 403 C VAL A 26 -0.248 -0.812 -4.821 1.00 4.42 C ATOM 404 O VAL A 26 -0.852 -1.843 -4.725 1.00 3.40 O ATOM 405 CB VAL A 26 1.852 -0.395 -3.565 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.471 -1.455 -2.519 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.411 -0.467 -3.795 1.00 8.12 C ATOM 0 H VAL A 26 2.002 1.121 -5.634 1.00 6.52 H new ATOM 0 HA VAL A 26 1.765 -1.594 -5.234 1.00 5.53 H new ATOM 0 HB VAL A 26 1.489 0.560 -3.184 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.924 -1.200 -1.561 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.387 -1.487 -2.411 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.832 -2.431 -2.842 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.927 -0.275 -2.854 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.679 -1.458 -4.160 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.705 0.282 -4.530 1.00 8.12 H new ATOM 417 N LYS A 27 -1.014 0.327 -4.906 1.00 2.64 N ATOM 418 CA LYS A 27 -2.480 0.244 -4.944 1.00 4.14 C ATOM 419 C LYS A 27 -3.071 -0.350 -6.193 1.00 5.58 C ATOM 420 O LYS A 27 -4.124 -1.006 -6.073 1.00 4.11 O ATOM 421 CB LYS A 27 -3.185 1.581 -4.604 1.00 3.97 C ATOM 422 CG LYS A 27 -2.862 2.005 -3.156 1.00 7.45 C ATOM 423 CD LYS A 27 -3.261 3.449 -2.812 1.00 9.02 C ATOM 424 CE LYS A 27 -2.694 4.530 -3.702 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.164 5.850 -3.250 1.00 15.47 N ATOM 0 H LYS A 27 -0.637 1.274 -4.947 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.684 -0.471 -4.147 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.862 2.357 -5.298 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.263 1.473 -4.726 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.371 1.327 -2.470 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.792 1.887 -2.986 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.348 3.519 -2.839 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.954 3.654 -1.787 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.605 4.496 -3.681 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.999 4.360 -4.735 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.195 6.503 -4.059 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.116 5.758 -2.842 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -2.513 6.222 -2.530 1.00 15.47 H new ATOM 439 N ALA A 28 -2.467 -0.185 -7.382 1.00 6.61 N ATOM 440 CA ALA A 28 -2.843 -0.934 -8.595 1.00 7.74 C ATOM 441 C ALA A 28 -2.674 -2.446 -8.393 1.00 9.17 C ATOM 442 O ALA A 28 -3.549 -3.235 -8.709 1.00 11.45 O ATOM 443 CB ALA A 28 -1.951 -0.455 -9.701 1.00 7.68 C ATOM 0 H ALA A 28 -1.702 0.473 -7.530 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.893 -0.762 -8.832 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.196 -0.985 -10.621 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.097 0.615 -9.849 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.911 -0.646 -9.438 1.00 7.68 H new ATOM 449 N LYS A 29 -1.544 -2.941 -7.742 1.00 8.96 N ATOM 450 CA LYS A 29 -1.316 -4.323 -7.397 1.00 7.90 C ATOM 451 C LYS A 29 -2.353 -4.818 -6.438 1.00 6.92 C ATOM 452 O LYS A 29 -2.813 -5.946 -6.649 1.00 6.87 O ATOM 453 CB LYS A 29 0.122 -4.645 -6.999 1.00 10.28 C ATOM 454 CG LYS A 29 1.093 -4.270 -8.098 1.00 14.94 C ATOM 455 CD LYS A 29 2.538 -4.499 -7.562 1.00 19.69 C ATOM 456 CE LYS A 29 3.602 -4.612 -8.626 1.00 22.63 C ATOM 457 NZ LYS A 29 3.157 -5.350 -9.817 1.00 24.98 N ATOM 0 H LYS A 29 -0.776 -2.334 -7.457 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.442 -4.899 -8.314 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.378 -4.108 -6.086 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.211 -5.709 -6.779 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.916 -4.876 -8.986 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.955 -3.229 -8.390 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.797 -3.676 -6.896 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.547 -5.409 -6.962 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.916 -3.612 -8.923 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.476 -5.109 -8.205 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.983 -5.614 -10.391 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.651 -6.210 -9.524 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.522 -4.749 -10.380 1.00 24.98 H new ATOM 471 N ILE A 30 -2.833 -4.020 -5.427 1.00 4.57 N ATOM 472 CA ILE A 30 -3.893 -4.435 -4.483 1.00 5.58 C ATOM 473 C ILE A 30 -5.216 -4.592 -5.148 1.00 7.26 C ATOM 474 O ILE A 30 -6.020 -5.476 -4.811 1.00 9.46 O ATOM 475 CB ILE A 30 -3.892 -3.572 -3.202 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.575 -3.560 -2.465 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.878 -4.141 -2.174 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.359 -2.267 -1.548 1.00 2.00 C ATOM 0 H ILE A 30 -2.487 -3.076 -5.257 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.659 -5.440 -4.133 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.140 -2.573 -3.559 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.511 -4.451 -1.841 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.763 -3.619 -3.190 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.866 -3.522 -1.277 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.882 -4.147 -2.597 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.587 -5.159 -1.916 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.391 -2.331 -1.051 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.390 -1.371 -2.169 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.149 -2.216 -0.799 1.00 2.00 H new ATOM 490 N GLN A 31 -5.506 -3.764 -6.172 1.00 7.06 N ATOM 491 CA GLN A 31 -6.702 -3.951 -7.017 1.00 8.67 C ATOM 492 C GLN A 31 -6.763 -5.241 -7.823 1.00 10.90 C ATOM 493 O GLN A 31 -7.774 -5.961 -7.940 1.00 9.63 O ATOM 494 CB GLN A 31 -6.874 -2.693 -7.973 1.00 9.12 C ATOM 495 CG GLN A 31 -8.159 -2.792 -8.805 1.00 10.76 C ATOM 496 CD GLN A 31 -8.368 -1.438 -9.565 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.387 -0.740 -9.937 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.624 -1.173 -9.966 1.00 14.76 N ATOM 0 H GLN A 31 -4.931 -2.963 -6.433 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.532 -4.040 -6.316 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.895 -1.781 -7.376 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.013 -2.619 -8.638 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.088 -3.617 -9.514 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.013 -2.999 -8.160 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.396 -1.758 -9.646 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.805 -0.387 -10.590 1.00 14.76 H new ATOM 507 N ASP A 32 -5.669 -5.648 -8.454 1.00 10.93 N ATOM 508 CA ASP A 32 -5.508 -6.874 -9.201 1.00 14.01 C ATOM 509 C ASP A 32 -5.554 -8.134 -8.341 1.00 14.04 C ATOM 510 O ASP A 32 -6.022 -9.152 -8.756 1.00 13.39 O ATOM 511 CB ASP A 32 -4.069 -6.703 -9.753 1.00 18.01 C ATOM 512 CG ASP A 32 -3.740 -7.502 -11.028 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.543 -7.542 -12.045 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.614 -8.137 -11.090 1.00 25.17 O ATOM 0 H ASP A 32 -4.817 -5.087 -8.453 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.303 -7.009 -9.934 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.902 -5.645 -9.957 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.364 -6.993 -8.973 1.00 18.01 H new ATOM 519 N LYS A 33 -5.102 -8.035 -7.041 1.00 14.22 N ATOM 520 CA LYS A 33 -5.143 -9.143 -6.081 1.00 14.00 C ATOM 521 C LYS A 33 -6.480 -9.289 -5.385 1.00 12.37 C ATOM 522 O LYS A 33 -7.175 -10.283 -5.460 1.00 12.17 O ATOM 523 CB LYS A 33 -4.109 -9.053 -4.959 1.00 18.62 C ATOM 524 CG LYS A 33 -2.670 -9.364 -5.504 1.00 24.00 C ATOM 525 CD LYS A 33 -2.309 -10.896 -5.727 1.00 27.61 C ATOM 526 CE LYS A 33 -0.804 -11.246 -6.050 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.716 -12.656 -6.179 1.00 30.06 N ATOM 0 H LYS A 33 -4.705 -7.178 -6.656 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.931 -9.998 -6.723 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.129 -8.056 -4.519 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.363 -9.757 -4.166 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.545 -8.843 -6.453 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.944 -8.940 -4.810 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.598 -11.444 -4.830 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.925 -11.272 -6.543 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.484 -10.756 -6.969 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.148 -10.891 -5.255 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.266 -12.924 -6.393 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.012 -13.105 -5.289 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.337 -12.974 -6.950 1.00 30.06 H new ATOM 541 N GLU A 34 -6.920 -8.144 -4.767 1.00 10.11 N ATOM 542 CA GLU A 34 -8.143 -8.120 -3.924 1.00 10.07 C ATOM 543 C GLU A 34 -9.415 -7.519 -4.664 1.00 9.32 C ATOM 544 O GLU A 34 -10.512 -7.850 -4.287 1.00 11.61 O ATOM 545 CB GLU A 34 -7.938 -7.446 -2.562 1.00 14.77 C ATOM 546 CG GLU A 34 -6.970 -8.323 -1.730 1.00 18.75 C ATOM 547 CD GLU A 34 -7.625 -9.677 -1.259 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.697 -9.558 -0.653 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.045 -10.775 -1.505 1.00 25.19 O ATOM 0 H GLU A 34 -6.447 -7.244 -4.841 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.349 -9.173 -3.734 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.528 -6.444 -2.691 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.891 -7.336 -2.045 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.083 -8.541 -2.324 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.638 -7.762 -0.856 1.00 18.75 H new ATOM 556 N GLY A 35 -9.299 -6.762 -5.772 1.00 7.22 N ATOM 557 CA GLY A 35 -10.458 -6.235 -6.538 1.00 6.29 C ATOM 558 C GLY A 35 -11.084 -4.989 -5.909 1.00 6.93 C ATOM 559 O GLY A 35 -12.044 -4.404 -6.486 1.00 7.41 O ATOM 0 H GLY A 35 -8.397 -6.495 -6.167 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.137 -5.999 -7.552 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.217 -7.014 -6.617 1.00 6.29 H new ATOM 563 N ILE A 36 -10.443 -4.447 -4.850 1.00 5.86 N ATOM 564 CA ILE A 36 -10.860 -3.240 -4.234 1.00 6.07 C ATOM 565 C ILE A 36 -10.328 -2.084 -5.037 1.00 6.36 C ATOM 566 O ILE A 36 -9.136 -2.075 -5.316 1.00 6.18 O ATOM 567 CB ILE A 36 -10.204 -3.061 -2.854 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.367 -4.334 -1.956 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.734 -1.755 -2.152 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.571 -4.176 -0.643 1.00 9.49 C ATOM 0 H ILE A 36 -9.618 -4.865 -4.420 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.947 -3.274 -4.162 1.00 6.07 H new ATOM 0 HB ILE A 36 -9.132 -2.938 -3.005 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.421 -4.495 -1.732 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.018 -5.214 -2.496 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.258 -1.647 -1.178 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.498 -0.888 -2.770 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.814 -1.824 -2.022 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.696 -5.070 -0.032 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.514 -4.038 -0.872 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.940 -3.308 -0.096 1.00 9.49 H new ATOM 582 N PRO A 37 -11.033 -1.114 -5.495 1.00 8.65 N ATOM 583 CA PRO A 37 -10.512 -0.120 -6.440 1.00 9.18 C ATOM 584 C PRO A 37 -9.644 0.827 -5.631 1.00 9.85 C ATOM 585 O PRO A 37 -9.855 0.953 -4.407 1.00 8.51 O ATOM 586 CB PRO A 37 -11.733 0.603 -7.038 1.00 11.42 C ATOM 587 CG PRO A 37 -12.880 0.246 -6.059 1.00 9.27 C ATOM 588 CD PRO A 37 -12.474 -1.115 -5.503 1.00 8.33 C ATOM 0 HA PRO A 37 -9.920 -0.547 -7.250 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.574 1.680 -7.094 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.947 0.259 -8.050 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.976 0.989 -5.267 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.842 0.199 -6.570 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.872 -1.263 -4.499 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.862 -1.924 -6.122 1.00 8.33 H new ATOM 596 N PRO A 38 -8.583 1.446 -6.223 1.00 8.71 N ATOM 597 CA PRO A 38 -7.598 2.279 -5.542 1.00 9.08 C ATOM 598 C PRO A 38 -8.260 3.473 -4.812 1.00 9.28 C ATOM 599 O PRO A 38 -7.778 3.859 -3.755 1.00 6.50 O ATOM 600 CB PRO A 38 -6.679 2.862 -6.675 1.00 10.31 C ATOM 601 CG PRO A 38 -7.499 2.736 -7.942 1.00 10.81 C ATOM 602 CD PRO A 38 -8.325 1.447 -7.681 1.00 12.00 C ATOM 0 HA PRO A 38 -7.062 1.687 -4.800 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.416 3.901 -6.476 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.745 2.306 -6.752 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -8.140 3.604 -8.099 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.868 2.642 -8.826 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -9.257 1.454 -8.247 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.774 0.557 -7.985 1.00 12.00 H new ATOM 610 N ASP A 39 -9.411 3.970 -5.306 1.00 11.20 N ATOM 611 CA ASP A 39 -10.281 5.000 -4.684 1.00 14.96 C ATOM 612 C ASP A 39 -10.695 4.787 -3.223 1.00 13.99 C ATOM 613 O ASP A 39 -10.950 5.722 -2.498 1.00 13.75 O ATOM 614 CB ASP A 39 -11.556 4.989 -5.545 1.00 24.16 C ATOM 615 CG ASP A 39 -11.132 5.296 -6.960 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.905 6.481 -7.275 1.00 35.55 O ATOM 617 OD2 ASP A 39 -11.024 4.329 -7.817 1.00 34.22 O ATOM 0 H ASP A 39 -9.784 3.649 -6.199 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.713 5.930 -4.655 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -12.050 4.019 -5.492 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -12.270 5.730 -5.187 1.00 24.16 H new ATOM 622 N GLN A 40 -10.629 3.513 -2.814 1.00 11.60 N ATOM 623 CA GLN A 40 -11.173 3.087 -1.513 1.00 10.76 C ATOM 624 C GLN A 40 -9.995 2.634 -0.636 1.00 8.01 C ATOM 625 O GLN A 40 -10.170 2.316 0.499 1.00 8.96 O ATOM 626 CB GLN A 40 -12.146 1.867 -1.656 1.00 11.14 C ATOM 627 CG GLN A 40 -13.491 2.219 -2.309 1.00 14.85 C ATOM 628 CD GLN A 40 -14.415 1.027 -2.591 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.979 -0.158 -2.679 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.713 1.273 -2.620 1.00 18.16 N ATOM 0 H GLN A 40 -10.207 2.762 -3.360 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.723 3.924 -1.082 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.658 1.092 -2.247 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.332 1.445 -0.668 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -14.018 2.921 -1.662 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.296 2.736 -3.248 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -16.052 2.232 -2.548 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.376 0.504 -2.714 1.00 18.16 H new ATOM 639 N GLN A 41 -8.742 2.567 -1.150 1.00 6.52 N ATOM 640 CA GLN A 41 -7.573 2.137 -0.411 1.00 3.87 C ATOM 641 C GLN A 41 -6.768 3.238 0.276 1.00 4.79 C ATOM 642 O GLN A 41 -6.602 4.344 -0.315 1.00 6.34 O ATOM 643 CB GLN A 41 -6.553 1.327 -1.286 1.00 4.20 C ATOM 644 CG GLN A 41 -7.192 0.109 -1.934 1.00 3.20 C ATOM 645 CD GLN A 41 -6.149 -0.605 -2.826 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.967 -0.524 -2.511 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.560 -1.282 -3.923 1.00 7.13 N ATOM 0 H GLN A 41 -8.532 2.821 -2.115 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.032 1.514 0.356 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.145 1.977 -2.061 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.716 1.009 -0.664 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.560 -0.574 -1.168 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.052 0.411 -2.532 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.553 -1.327 -4.152 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.877 -1.748 -4.521 1.00 7.13 H new ATOM 656 N ARG A 42 -6.251 3.054 1.471 1.00 5.73 N ATOM 657 CA ARG A 42 -5.251 3.886 2.109 1.00 6.97 C ATOM 658 C ARG A 42 -4.114 3.059 2.808 1.00 7.15 C ATOM 659 O ARG A 42 -4.390 2.094 3.551 1.00 7.33 O ATOM 660 CB ARG A 42 -5.969 4.741 3.229 1.00 13.23 C ATOM 661 CG ARG A 42 -6.255 6.148 2.714 1.00 21.27 C ATOM 662 CD ARG A 42 -7.006 7.092 3.610 1.00 26.14 C ATOM 663 NE ARG A 42 -7.046 8.331 2.797 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.962 9.281 2.864 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.623 9.593 3.956 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.254 10.012 1.761 1.00 36.39 N ATOM 0 H ARG A 42 -6.534 2.271 2.061 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.793 4.497 1.331 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.900 4.258 3.525 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.340 4.792 4.118 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.301 6.612 2.466 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.815 6.055 1.784 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.006 6.725 3.842 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.494 7.245 4.560 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.294 8.463 2.121 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.441 9.089 4.824 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.318 10.339 3.936 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.767 9.828 0.884 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.960 10.746 1.808 1.00 36.39 H new ATOM 680 N LEU A 43 -2.864 3.325 2.403 1.00 4.65 N ATOM 681 CA LEU A 43 -1.746 2.592 2.947 1.00 3.51 C ATOM 682 C LEU A 43 -1.212 3.431 4.164 1.00 5.56 C ATOM 683 O LEU A 43 -1.020 4.647 4.105 1.00 4.19 O ATOM 684 CB LEU A 43 -0.746 2.229 1.829 1.00 3.74 C ATOM 685 CG LEU A 43 -1.379 1.268 0.839 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.519 0.996 -0.400 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.743 -0.013 1.593 1.00 6.41 C ATOM 0 H LEU A 43 -2.619 4.033 1.711 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.005 1.611 3.345 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.426 3.134 1.312 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.146 1.777 2.264 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.277 1.731 0.431 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.039 0.301 -1.059 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.338 1.931 -0.930 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.433 0.562 -0.094 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.201 -0.723 0.904 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.842 -0.452 2.021 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.446 0.222 2.392 1.00 6.41 H new ATOM 699 N ILE A 44 -0.878 2.706 5.225 1.00 4.58 N ATOM 700 CA ILE A 44 -0.260 3.247 6.466 1.00 5.55 C ATOM 701 C ILE A 44 1.062 2.518 6.647 1.00 5.46 C ATOM 702 O ILE A 44 1.077 1.301 6.674 1.00 6.04 O ATOM 703 CB ILE A 44 -1.008 3.028 7.719 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.486 3.479 7.699 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.229 3.601 8.993 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.773 5.006 7.504 1.00 13.90 C ATOM 0 H ILE A 44 -1.027 1.698 5.264 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.203 4.326 6.320 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.059 1.943 7.808 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.992 2.937 6.900 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.946 3.167 8.637 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.817 3.417 9.892 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.737 3.103 9.083 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.075 4.673 8.873 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.849 5.178 7.510 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.311 5.569 8.315 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.359 5.335 6.551 1.00 13.90 H new ATOM 718 N PHE A 45 2.179 3.252 6.814 1.00 6.75 N ATOM 719 CA PHE A 45 3.414 2.629 7.349 1.00 4.70 C ATOM 720 C PHE A 45 4.005 3.541 8.368 1.00 6.34 C ATOM 721 O PHE A 45 4.058 4.784 8.131 1.00 5.45 O ATOM 722 CB PHE A 45 4.316 2.202 6.129 1.00 5.51 C ATOM 723 CG PHE A 45 5.736 1.855 6.494 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.036 0.509 6.887 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.827 2.765 6.607 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.200 0.033 7.398 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.080 2.317 7.001 1.00 6.64 C ATOM 728 CZ PHE A 45 8.273 0.957 7.405 1.00 6.84 C ATOM 0 H PHE A 45 2.257 4.245 6.596 1.00 6.75 H new ATOM 0 HA PHE A 45 3.248 1.702 7.898 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.859 1.342 5.639 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.329 3.013 5.401 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.241 -0.212 6.762 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.678 3.811 6.384 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.300 -0.975 7.771 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.917 3.000 7.003 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.253 0.631 7.720 1.00 6.84 H new ATOM 738 N ALA A 46 4.541 3.029 9.470 1.00 6.53 N ATOM 739 CA ALA A 46 5.335 3.803 10.491 1.00 7.15 C ATOM 740 C ALA A 46 4.426 4.751 11.232 1.00 9.00 C ATOM 741 O ALA A 46 4.849 5.772 11.781 1.00 11.15 O ATOM 742 CB ALA A 46 6.487 4.624 9.884 1.00 8.99 C ATOM 0 H ALA A 46 4.449 2.042 9.709 1.00 6.53 H new ATOM 0 HA ALA A 46 5.772 3.059 11.157 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.014 5.154 10.678 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.180 3.956 9.372 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.085 5.344 9.172 1.00 8.99 H new ATOM 748 N GLY A 47 3.083 4.507 11.196 1.00 9.35 N ATOM 749 CA GLY A 47 1.995 5.347 11.744 1.00 11.68 C ATOM 750 C GLY A 47 1.562 6.445 10.794 1.00 11.14 C ATOM 751 O GLY A 47 0.574 7.180 10.940 1.00 13.93 O ATOM 0 H GLY A 47 2.717 3.664 10.754 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.137 4.716 11.976 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.325 5.794 12.682 1.00 11.68 H new ATOM 755 N LYS A 48 2.351 6.581 9.700 1.00 10.47 N ATOM 756 CA LYS A 48 2.329 7.636 8.695 1.00 8.82 C ATOM 757 C LYS A 48 1.521 7.185 7.520 1.00 7.68 C ATOM 758 O LYS A 48 1.599 6.066 7.090 1.00 6.47 O ATOM 759 CB LYS A 48 3.748 8.126 8.194 1.00 9.74 C ATOM 760 CG LYS A 48 4.665 8.556 9.298 1.00 14.14 C ATOM 761 CD LYS A 48 5.883 9.278 8.774 1.00 16.32 C ATOM 762 CE LYS A 48 6.988 9.607 9.725 1.00 20.04 C ATOM 763 NZ LYS A 48 6.489 10.412 10.832 1.00 23.92 N ATOM 0 H LYS A 48 3.074 5.891 9.495 1.00 10.47 H new ATOM 0 HA LYS A 48 1.882 8.497 9.191 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.223 7.321 7.633 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.611 8.958 7.503 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.125 9.208 9.985 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.979 7.682 9.869 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.306 8.673 7.972 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.545 10.212 8.324 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.431 8.688 10.108 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.777 10.148 9.202 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.280 10.674 11.455 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.041 11.274 10.460 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.789 9.864 11.372 1.00 23.92 H new ATOM 777 N GLN A 49 0.775 8.091 6.882 1.00 8.89 N ATOM 778 CA GLN A 49 0.082 7.781 5.718 1.00 7.18 C ATOM 779 C GLN A 49 0.874 8.015 4.439 1.00 8.23 C ATOM 780 O GLN A 49 1.666 8.907 4.225 1.00 9.70 O ATOM 781 CB GLN A 49 -1.207 8.657 5.686 1.00 11.67 C ATOM 782 CG GLN A 49 -2.185 8.193 4.634 1.00 15.82 C ATOM 783 CD GLN A 49 -3.502 9.082 4.593 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.576 8.675 5.010 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.303 10.375 4.192 1.00 20.67 N ATOM 0 H GLN A 49 0.661 9.055 7.195 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.136 6.713 5.744 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.688 8.629 6.664 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.934 9.695 5.494 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.702 8.219 3.657 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.457 7.155 4.828 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.387 10.668 3.851 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.070 11.046 4.234 1.00 20.67 H new ATOM 794 N LEU A 50 0.744 7.060 3.533 1.00 6.51 N ATOM 795 CA LEU A 50 1.636 7.009 2.354 1.00 7.41 C ATOM 796 C LEU A 50 1.076 7.786 1.200 1.00 8.27 C ATOM 797 O LEU A 50 -0.177 7.737 1.031 1.00 8.34 O ATOM 798 CB LEU A 50 1.857 5.462 1.952 1.00 7.13 C ATOM 799 CG LEU A 50 2.434 4.643 3.090 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.876 3.333 2.394 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.626 5.361 3.796 1.00 9.11 C ATOM 0 H LEU A 50 0.048 6.316 3.576 1.00 6.51 H new ATOM 0 HA LEU A 50 2.591 7.471 2.606 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.905 5.030 1.644 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.525 5.405 1.093 1.00 7.13 H new ATOM 0 HG LEU A 50 1.716 4.478 3.893 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.313 2.659 3.131 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.011 2.856 1.934 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.616 3.560 1.627 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.003 4.733 4.603 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.422 5.540 3.074 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.287 6.313 4.205 1.00 9.11 H new ATOM 813 N GLU A 51 1.882 8.471 0.380 1.00 9.43 N ATOM 814 CA GLU A 51 1.470 9.395 -0.743 1.00 11.90 C ATOM 815 C GLU A 51 1.789 8.852 -2.048 1.00 11.49 C ATOM 816 O GLU A 51 2.850 8.280 -2.275 1.00 9.88 O ATOM 817 CB GLU A 51 2.157 10.751 -0.618 1.00 16.56 C ATOM 818 CG GLU A 51 1.601 11.559 0.520 1.00 26.06 C ATOM 819 CD GLU A 51 2.082 12.952 0.431 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.291 13.224 0.626 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.264 13.809 0.031 1.00 32.13 O ATOM 0 H GLU A 51 2.896 8.409 0.466 1.00 9.43 H new ATOM 0 HA GLU A 51 0.389 9.506 -0.656 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.227 10.603 -0.470 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.038 11.305 -1.549 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.512 11.539 0.493 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.904 11.121 1.471 1.00 26.06 H new ATOM 828 N ASP A 52 0.911 9.031 -3.046 1.00 12.71 N ATOM 829 CA ASP A 52 0.891 8.279 -4.324 1.00 16.56 C ATOM 830 C ASP A 52 2.223 8.391 -5.149 1.00 15.83 C ATOM 831 O ASP A 52 2.731 7.449 -5.776 1.00 17.21 O ATOM 832 CB ASP A 52 -0.287 8.771 -5.263 1.00 21.05 C ATOM 833 CG ASP A 52 -1.719 8.331 -4.892 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.091 7.229 -5.325 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.463 9.092 -4.200 1.00 25.82 O ATOM 0 H ASP A 52 0.167 9.726 -2.990 1.00 12.71 H new ATOM 0 HA ASP A 52 0.753 7.240 -4.025 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.265 9.860 -5.289 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.079 8.424 -6.275 1.00 21.05 H new ATOM 840 N GLY A 53 2.725 9.632 -5.255 1.00 15.00 N ATOM 841 CA GLY A 53 3.859 9.893 -6.168 1.00 11.77 C ATOM 842 C GLY A 53 5.237 9.475 -5.696 1.00 11.10 C ATOM 843 O GLY A 53 6.231 9.624 -6.399 1.00 11.25 O ATOM 0 H GLY A 53 2.383 10.445 -4.743 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.657 9.386 -7.112 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.884 10.962 -6.379 1.00 11.77 H new ATOM 847 N ARG A 54 5.374 9.017 -4.484 1.00 8.53 N ATOM 848 CA ARG A 54 6.641 8.642 -3.810 1.00 9.05 C ATOM 849 C ARG A 54 6.912 7.209 -3.980 1.00 8.96 C ATOM 850 O ARG A 54 6.072 6.484 -4.473 1.00 11.60 O ATOM 851 CB ARG A 54 6.719 9.141 -2.298 1.00 7.97 C ATOM 852 CG ARG A 54 6.081 10.572 -2.072 1.00 9.62 C ATOM 853 CD ARG A 54 6.479 11.091 -0.713 1.00 12.20 C ATOM 854 NE ARG A 54 5.854 12.381 -0.402 1.00 18.23 N ATOM 855 CZ ARG A 54 6.179 13.568 -0.891 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.287 13.864 -1.510 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.320 14.559 -0.608 1.00 23.38 N ATOM 0 H ARG A 54 4.566 8.877 -3.878 1.00 8.53 H new ATOM 0 HA ARG A 54 7.452 9.178 -4.304 1.00 9.05 H new ATOM 0 HB2 ARG A 54 6.210 8.420 -1.659 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.763 9.164 -1.984 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.418 11.259 -2.848 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.995 10.514 -2.147 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.199 10.362 0.048 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.563 11.196 -0.670 1.00 12.20 H new ATOM 0 HE ARG A 54 5.083 12.362 0.265 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.998 13.147 -1.654 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.443 14.813 -1.851 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.487 14.368 -0.052 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.500 15.503 -0.949 1.00 23.38 H new ATOM 871 N THR A 55 8.098 6.752 -3.605 1.00 9.05 N ATOM 872 CA THR A 55 8.373 5.296 -3.761 1.00 9.03 C ATOM 873 C THR A 55 8.516 4.662 -2.309 1.00 8.15 C ATOM 874 O THR A 55 8.533 5.376 -1.296 1.00 5.91 O ATOM 875 CB THR A 55 9.623 4.839 -4.565 1.00 11.15 C ATOM 876 OG1 THR A 55 10.856 5.273 -4.042 1.00 11.95 O ATOM 877 CG2 THR A 55 9.454 5.411 -5.945 1.00 11.71 C ATOM 0 H THR A 55 8.855 7.312 -3.212 1.00 9.05 H new ATOM 0 HA THR A 55 7.527 4.956 -4.358 1.00 9.03 H new ATOM 0 HB THR A 55 9.668 3.750 -4.532 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.744 6.154 -3.628 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.304 5.125 -6.564 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.536 5.026 -6.389 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.399 6.498 -5.884 1.00 11.71 H new ATOM 885 N LEU A 56 8.539 3.337 -2.292 1.00 6.91 N ATOM 886 CA LEU A 56 8.845 2.599 -1.047 1.00 8.29 C ATOM 887 C LEU A 56 10.153 2.888 -0.343 1.00 8.05 C ATOM 888 O LEU A 56 10.143 3.128 0.845 1.00 10.17 O ATOM 889 CB LEU A 56 8.760 1.073 -1.487 1.00 6.60 C ATOM 890 CG LEU A 56 7.315 0.591 -1.899 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.533 -0.669 -2.674 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.260 0.384 -0.851 1.00 8.64 C ATOM 0 H LEU A 56 8.355 2.748 -3.104 1.00 6.91 H new ATOM 0 HA LEU A 56 8.137 2.915 -0.281 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.436 0.912 -2.326 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.117 0.451 -0.666 1.00 6.60 H new ATOM 0 HG LEU A 56 6.872 1.425 -2.443 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.572 -1.068 -2.997 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.150 -0.457 -3.547 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.036 -1.402 -2.043 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.336 0.053 -1.325 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.595 -0.373 -0.142 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.082 1.321 -0.324 1.00 8.64 H new ATOM 904 N SER A 57 11.305 3.013 -1.106 1.00 8.92 N ATOM 905 CA SER A 57 12.600 3.458 -0.564 1.00 9.00 C ATOM 906 C SER A 57 12.535 4.820 0.152 1.00 9.44 C ATOM 907 O SER A 57 13.217 5.046 1.136 1.00 10.91 O ATOM 908 CB SER A 57 13.773 3.517 -1.610 1.00 10.32 C ATOM 909 OG SER A 57 13.558 4.497 -2.662 1.00 13.59 O ATOM 0 H SER A 57 11.334 2.803 -2.104 1.00 8.92 H new ATOM 0 HA SER A 57 12.823 2.672 0.157 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.702 3.750 -1.090 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.898 2.532 -2.061 1.00 10.32 H new ATOM 0 HG SER A 57 12.604 4.534 -2.885 1.00 13.59 H new ATOM 915 N ASP A 58 11.662 5.726 -0.356 1.00 9.11 N ATOM 916 CA ASP A 58 11.653 7.088 0.132 1.00 7.91 C ATOM 917 C ASP A 58 11.244 7.106 1.635 1.00 9.12 C ATOM 918 O ASP A 58 11.577 7.983 2.416 1.00 8.61 O ATOM 919 CB ASP A 58 10.622 7.947 -0.579 1.00 8.41 C ATOM 920 CG ASP A 58 11.145 8.117 -1.967 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.210 8.790 -2.116 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.552 7.657 -2.967 1.00 11.70 O ATOM 0 H ASP A 58 10.978 5.525 -1.086 1.00 9.11 H new ATOM 0 HA ASP A 58 12.656 7.479 -0.039 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.644 7.466 -0.583 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.502 8.910 -0.083 1.00 8.41 H new ATOM 927 N TYR A 59 10.395 6.159 2.062 1.00 7.97 N ATOM 928 CA TYR A 59 9.864 5.999 3.389 1.00 8.45 C ATOM 929 C TYR A 59 10.591 4.943 4.214 1.00 10.98 C ATOM 930 O TYR A 59 10.140 4.579 5.298 1.00 12.95 O ATOM 931 CB TYR A 59 8.465 5.344 3.323 1.00 7.94 C ATOM 932 CG TYR A 59 7.470 6.314 2.792 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.008 7.198 3.779 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.903 6.262 1.546 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.992 8.079 3.422 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.855 7.117 1.200 1.00 6.52 C ATOM 937 CZ TYR A 59 5.442 8.044 2.117 1.00 6.76 C ATOM 938 OH TYR A 59 4.398 8.888 1.742 1.00 7.63 O ATOM 0 H TYR A 59 10.047 5.440 1.427 1.00 7.97 H new ATOM 0 HA TYR A 59 9.923 7.002 3.812 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.499 4.460 2.686 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.164 5.010 4.316 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.424 7.195 4.776 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.271 5.550 0.822 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.621 8.793 4.143 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.382 7.048 0.232 1.00 6.52 H new ATOM 0 HH TYR A 59 4.726 9.810 1.686 1.00 7.63 H new ATOM 948 N ASN A 60 11.712 4.419 3.738 1.00 12.38 N ATOM 949 CA ASN A 60 12.549 3.380 4.298 1.00 13.94 C ATOM 950 C ASN A 60 11.731 2.099 4.462 1.00 14.16 C ATOM 951 O ASN A 60 11.747 1.500 5.573 1.00 14.26 O ATOM 952 CB ASN A 60 13.250 3.853 5.607 1.00 19.23 C ATOM 953 CG ASN A 60 14.115 5.076 5.272 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.676 6.226 5.464 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.321 4.844 4.700 1.00 24.09 N ATOM 0 H ASN A 60 12.094 4.752 2.853 1.00 12.38 H new ATOM 0 HA ASN A 60 13.364 3.155 3.610 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.509 4.107 6.365 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.865 3.053 6.019 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.906 5.627 4.409 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.644 3.886 4.561 1.00 24.09 H new ATOM 962 N ILE A 61 10.989 1.649 3.451 1.00 11.08 N ATOM 963 CA ILE A 61 10.284 0.368 3.558 1.00 11.78 C ATOM 964 C ILE A 61 11.165 -0.757 3.056 1.00 13.74 C ATOM 965 O ILE A 61 11.595 -0.836 1.923 1.00 14.60 O ATOM 966 CB ILE A 61 9.022 0.460 2.763 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.070 1.457 3.488 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.334 -0.957 2.560 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.898 2.032 2.682 1.00 11.42 C ATOM 0 H ILE A 61 10.860 2.139 2.565 1.00 11.08 H new ATOM 0 HA ILE A 61 10.042 0.154 4.599 1.00 11.78 H new ATOM 0 HB ILE A 61 9.252 0.821 1.761 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.661 0.954 4.364 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.670 2.292 3.851 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.421 -0.838 1.977 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.018 -1.621 2.032 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.090 -1.386 3.532 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.321 2.709 3.312 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.282 2.577 1.820 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.257 1.219 2.341 1.00 11.42 H new ATOM 981 N GLN A 62 11.533 -1.653 3.932 1.00 13.97 N ATOM 982 CA GLN A 62 12.490 -2.679 3.614 1.00 15.52 C ATOM 983 C GLN A 62 11.877 -4.011 3.012 1.00 13.94 C ATOM 984 O GLN A 62 10.700 -4.274 3.004 1.00 12.15 O ATOM 985 CB GLN A 62 13.304 -3.058 4.866 1.00 19.53 C ATOM 986 CG GLN A 62 14.187 -1.856 5.304 1.00 26.38 C ATOM 987 CD GLN A 62 15.118 -1.231 4.310 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.916 -0.121 3.862 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.182 -1.978 3.999 1.00 32.71 N ATOM 0 H GLN A 62 11.178 -1.692 4.887 1.00 13.97 H new ATOM 0 HA GLN A 62 13.112 -2.235 2.837 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.632 -3.341 5.676 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.931 -3.924 4.655 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.520 -1.073 5.665 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.786 -2.182 6.154 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.293 -2.904 4.411 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.883 -1.622 3.350 1.00 32.71 H new ATOM 998 N LYS A 63 12.774 -4.881 2.485 1.00 11.73 N ATOM 999 CA LYS A 63 12.430 -6.262 2.195 1.00 11.97 C ATOM 1000 C LYS A 63 11.786 -7.018 3.323 1.00 10.41 C ATOM 1001 O LYS A 63 12.235 -6.923 4.458 1.00 9.59 O ATOM 1002 CB LYS A 63 13.559 -7.038 1.561 1.00 13.73 C ATOM 1003 CG LYS A 63 14.774 -7.412 2.363 1.00 16.98 C ATOM 1004 CD LYS A 63 15.807 -8.138 1.530 1.00 20.19 C ATOM 1005 CE LYS A 63 17.149 -8.485 2.034 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.986 -9.246 3.300 1.00 25.97 N ATOM 0 H LYS A 63 13.737 -4.633 2.258 1.00 11.73 H new ATOM 0 HA LYS A 63 11.644 -6.168 1.446 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.134 -7.963 1.171 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.905 -6.460 0.704 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.219 -6.512 2.787 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.475 -8.044 3.199 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.345 -9.073 1.212 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.960 -7.536 0.634 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.689 -9.081 1.299 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.736 -7.583 2.206 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.922 -9.502 3.674 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.484 -8.659 3.996 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.438 -10.111 3.117 1.00 25.97 H new ATOM 1020 N GLU A 64 10.713 -7.740 3.007 1.00 10.04 N ATOM 1021 CA GLU A 64 9.817 -8.533 3.918 1.00 10.94 C ATOM 1022 C GLU A 64 9.019 -7.762 4.961 1.00 9.74 C ATOM 1023 O GLU A 64 8.591 -8.290 5.992 1.00 9.42 O ATOM 1024 CB GLU A 64 10.622 -9.720 4.505 1.00 18.31 C ATOM 1025 CG GLU A 64 11.211 -10.505 3.373 1.00 24.16 C ATOM 1026 CD GLU A 64 11.969 -11.634 3.966 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.743 -11.444 4.933 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.824 -12.777 3.415 1.00 32.61 O ATOM 0 H GLU A 64 10.403 -7.806 2.038 1.00 10.04 H new ATOM 0 HA GLU A 64 9.006 -8.900 3.290 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.411 -9.354 5.162 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.974 -10.355 5.109 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.427 -10.874 2.712 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.867 -9.877 2.770 1.00 24.16 H new ATOM 1035 N SER A 65 8.865 -6.442 4.717 1.00 6.85 N ATOM 1036 CA SER A 65 8.165 -5.515 5.524 1.00 6.90 C ATOM 1037 C SER A 65 6.651 -5.514 5.448 1.00 4.72 C ATOM 1038 O SER A 65 6.051 -6.230 4.640 1.00 3.91 O ATOM 1039 CB SER A 65 8.868 -4.110 5.432 1.00 7.28 C ATOM 1040 OG SER A 65 8.625 -3.206 6.584 1.00 10.56 O ATOM 0 H SER A 65 9.266 -6.003 3.888 1.00 6.85 H new ATOM 0 HA SER A 65 8.251 -5.874 6.549 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.942 -4.265 5.332 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.532 -3.612 4.523 1.00 7.28 H new ATOM 0 HG SER A 65 9.100 -2.360 6.442 1.00 10.56 H new ATOM 1046 N THR A 66 5.985 -4.739 6.307 1.00 4.48 N ATOM 1047 CA THR A 66 4.537 -4.754 6.592 1.00 3.80 C ATOM 1048 C THR A 66 3.983 -3.389 6.331 1.00 4.60 C ATOM 1049 O THR A 66 4.392 -2.420 7.037 1.00 5.33 O ATOM 1050 CB THR A 66 4.092 -5.100 8.025 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.700 -6.312 8.506 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.555 -5.255 8.103 1.00 3.40 C ATOM 0 H THR A 66 6.470 -4.035 6.863 1.00 4.48 H new ATOM 0 HA THR A 66 4.169 -5.552 5.948 1.00 3.80 H new ATOM 0 HB THR A 66 4.417 -4.272 8.655 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.392 -6.493 9.418 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.265 -5.499 9.125 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.079 -4.321 7.805 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.236 -6.054 7.434 1.00 3.40 H new ATOM 1060 N LEU A 67 3.058 -3.372 5.387 1.00 4.17 N ATOM 1061 CA LEU A 67 2.173 -2.252 5.152 1.00 3.85 C ATOM 1062 C LEU A 67 0.798 -2.525 5.665 1.00 3.80 C ATOM 1063 O LEU A 67 0.248 -3.656 5.650 1.00 5.54 O ATOM 1064 CB LEU A 67 1.939 -2.009 3.644 1.00 7.18 C ATOM 1065 CG LEU A 67 3.202 -1.717 2.825 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.657 -1.505 1.408 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.975 -0.487 3.386 1.00 11.66 C ATOM 0 H LEU A 67 2.901 -4.154 4.751 1.00 4.17 H new ATOM 0 HA LEU A 67 2.658 -1.410 5.646 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.447 -2.886 3.223 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.250 -1.172 3.530 1.00 7.18 H new ATOM 0 HG LEU A 67 3.942 -2.517 2.858 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.482 -1.287 0.730 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.144 -2.408 1.077 1.00 8.12 H new ATOM 0 HD13 LEU A 67 1.957 -0.669 1.409 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.864 -0.309 2.781 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.332 0.393 3.353 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.270 -0.682 4.417 1.00 11.66 H new ATOM 1079 N HIS A 68 0.153 -1.517 6.218 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.263 -1.652 6.679 1.00 4.17 C ATOM 1081 C HIS A 68 -2.176 -0.937 5.734 1.00 5.32 C ATOM 1082 O HIS A 68 -1.960 0.227 5.412 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.382 -1.042 8.095 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.843 -1.852 9.239 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.480 -2.107 9.363 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.471 -2.551 10.251 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.657 -2.833 10.474 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.485 -3.113 11.073 1.00 16.30 N ATOM 0 H HIS A 68 0.560 -0.594 6.369 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.547 -2.704 6.706 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.871 -0.079 8.092 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.436 -0.842 8.289 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.538 -2.648 10.386 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.622 -3.152 10.838 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.620 -3.626 11.944 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.245 -1.609 5.311 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.254 -1.126 4.420 1.00 3.97 C ATOM 1098 C LEU A 69 -5.454 -0.895 5.256 1.00 5.07 C ATOM 1099 O LEU A 69 -5.927 -1.725 6.050 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.507 -2.218 3.269 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.832 -2.139 2.522 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.728 -0.933 1.654 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.105 -3.426 1.724 1.00 9.96 C ATOM 0 H LEU A 69 -3.425 -2.567 5.612 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.973 -0.202 3.915 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.701 -2.135 2.540 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.429 -3.208 3.718 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.680 -2.052 3.201 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.650 -0.814 1.085 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.568 -0.051 2.274 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.890 -1.051 0.967 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.058 -3.336 1.203 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.307 -3.580 0.997 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.143 -4.276 2.406 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.889 0.399 5.243 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.162 0.850 5.705 1.00 6.26 C ATOM 1117 C VAL A 70 -7.992 1.394 4.534 1.00 9.22 C ATOM 1118 O VAL A 70 -7.495 1.531 3.387 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.152 1.848 6.834 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.448 1.246 8.035 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.431 3.130 6.408 1.00 8.54 C ATOM 0 H VAL A 70 -5.310 1.160 4.888 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.618 -0.042 6.135 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.181 2.094 7.095 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.441 1.968 8.852 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.974 0.345 8.351 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.423 0.992 7.766 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.433 3.840 7.235 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.403 2.895 6.134 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.944 3.569 5.552 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.328 1.560 4.749 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.199 1.778 3.594 1.00 16.06 C ATOM 1133 C LEU A 71 -10.752 3.115 3.735 1.00 18.09 C ATOM 1134 O LEU A 71 -10.815 3.668 4.813 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.327 0.762 3.540 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.765 -0.650 3.272 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.933 -1.720 3.289 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.972 -0.701 1.961 1.00 19.57 C ATOM 0 H LEU A 71 -9.789 1.546 5.659 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.628 1.668 2.672 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.877 0.769 4.481 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.033 1.034 2.756 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.068 -0.896 4.073 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.521 -2.711 3.098 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.421 -1.711 4.264 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.662 -1.475 2.516 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.591 -1.710 1.805 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.623 -0.426 1.131 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.137 -0.002 2.013 1.00 19.57 H new