USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot -58:sc= 0.475 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0662 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 138:sc= 0.913 (180deg=0.914) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.254 USER MOD Single : A 1 MET CE :methyl -129:sc= -0.0166 (180deg=-0.0421) USER MOD Single : A 1 MET N :NH3+ -178:sc= 2.5 (180deg=2.48) USER MOD Single : A 2 GLN : amide:sc= -0.014 X(o=-0.014,f=0.0066) USER MOD Single : A 11 LYS NZ :NH3+ -166:sc= -0.198 (180deg=-0.487) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0383 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.053 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= 1.28 (180deg=1.22) USER MOD Single : A 29 LYS NZ :NH3+ 134:sc= 1.26 (180deg=0.254) USER MOD Single : A 31 GLN : amide:sc= -1.35 K(o=-1.3,f=-2.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 41 GLN : amide:sc= 1.24 K(o=1.2,f=-4.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0935 K(o=-0.094,f=-0.62) USER MOD Single : A 55 THR OG1 : rot -29:sc= 1.19 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.348 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -150:sc= 0.109 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.133 X(o=-0.13,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.308 -6.853 -4.684 1.00 9.67 N ATOM 2 CA MET A 1 11.379 -6.775 -3.207 1.00 10.38 C ATOM 3 C MET A 1 9.979 -7.208 -2.606 1.00 9.62 C ATOM 4 O MET A 1 8.925 -6.660 -2.949 1.00 9.62 O ATOM 5 CB MET A 1 11.518 -5.325 -2.776 1.00 13.77 C ATOM 6 CG MET A 1 11.543 -5.072 -1.269 1.00 16.29 C ATOM 7 SD MET A 1 12.079 -3.408 -0.950 1.00 17.17 S ATOM 8 CE MET A 1 10.492 -2.593 -1.211 1.00 16.11 C ATOM 0 H1 MET A 1 12.233 -6.603 -5.090 1.00 9.67 H new ATOM 0 H2 MET A 1 11.055 -7.821 -4.969 1.00 9.67 H new ATOM 0 H3 MET A 1 10.587 -6.190 -5.032 1.00 9.67 H new ATOM 0 HA MET A 1 12.211 -7.397 -2.876 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.436 -4.925 -3.206 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.692 -4.758 -3.206 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.551 -5.232 -0.847 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.214 -5.780 -0.783 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.619 -1.765 -1.908 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.779 -3.308 -1.623 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.117 -2.213 -0.260 1.00 16.11 H new ATOM 20 N GLN A 2 9.879 -8.218 -1.764 1.00 9.27 N ATOM 21 CA GLN A 2 8.628 -8.759 -1.148 1.00 9.07 C ATOM 22 C GLN A 2 8.221 -7.797 -0.074 1.00 8.72 C ATOM 23 O GLN A 2 8.925 -7.462 0.895 1.00 8.22 O ATOM 24 CB GLN A 2 8.740 -10.193 -0.590 1.00 14.46 C ATOM 25 CG GLN A 2 7.553 -10.743 0.221 1.00 17.01 C ATOM 26 CD GLN A 2 7.710 -12.226 0.269 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.086 -12.824 1.301 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.367 -12.912 -0.804 1.00 19.49 N ATOM 0 H GLN A 2 10.705 -8.732 -1.457 1.00 9.27 H new ATOM 0 HA GLN A 2 7.877 -8.847 -1.933 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.912 -10.866 -1.430 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.627 -10.238 0.042 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.545 -10.323 1.227 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.607 -10.470 -0.246 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.060 -12.423 -1.645 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.408 -13.931 -0.793 1.00 19.49 H new ATOM 37 N ILE A 3 6.912 -7.349 -0.125 1.00 5.87 N ATOM 38 CA ILE A 3 6.305 -6.584 0.985 1.00 5.07 C ATOM 39 C ILE A 3 5.022 -7.322 1.379 1.00 4.01 C ATOM 40 O ILE A 3 4.501 -8.099 0.580 1.00 4.61 O ATOM 41 CB ILE A 3 6.088 -5.139 0.774 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.109 -4.962 -0.426 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.497 -4.512 0.628 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.769 -3.495 -0.673 1.00 10.83 C ATOM 0 H ILE A 3 6.287 -7.511 -0.914 1.00 5.87 H new ATOM 0 HA ILE A 3 7.035 -6.558 1.794 1.00 5.07 H new ATOM 0 HB ILE A 3 5.600 -4.615 1.595 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.556 -5.387 -1.325 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.192 -5.519 -0.232 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.403 -3.438 0.469 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.073 -4.695 1.535 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.009 -4.961 -0.223 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.084 -3.417 -1.518 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.297 -3.076 0.216 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.682 -2.942 -0.894 1.00 10.83 H new ATOM 56 N PHE A 4 4.560 -7.135 2.595 1.00 4.55 N ATOM 57 CA PHE A 4 3.311 -7.790 3.054 1.00 4.68 C ATOM 58 C PHE A 4 2.342 -6.651 3.330 1.00 5.30 C ATOM 59 O PHE A 4 2.721 -5.541 3.717 1.00 5.58 O ATOM 60 CB PHE A 4 3.595 -8.548 4.333 1.00 4.83 C ATOM 61 CG PHE A 4 4.581 -9.699 4.164 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.459 -10.696 3.127 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.704 -9.768 5.017 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.406 -11.744 3.128 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.647 -10.818 4.963 1.00 10.61 C ATOM 66 CZ PHE A 4 6.488 -11.826 4.038 1.00 8.90 C ATOM 0 H PHE A 4 5.011 -6.544 3.294 1.00 4.55 H new ATOM 0 HA PHE A 4 2.911 -8.493 2.323 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.987 -7.853 5.076 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.658 -8.941 4.727 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.678 -10.643 2.383 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.848 -8.982 5.744 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.299 -12.528 2.393 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.487 -10.830 5.642 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.173 -12.660 4.007 1.00 8.90 H new ATOM 76 N VAL A 5 1.000 -6.928 3.116 1.00 4.44 N ATOM 77 CA VAL A 5 -0.023 -5.919 3.278 1.00 3.87 C ATOM 78 C VAL A 5 -1.059 -6.524 4.181 1.00 4.93 C ATOM 79 O VAL A 5 -1.669 -7.559 3.888 1.00 6.84 O ATOM 80 CB VAL A 5 -0.706 -5.466 2.016 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.301 -4.056 2.338 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.337 -5.391 0.872 1.00 9.13 C ATOM 0 H VAL A 5 0.647 -7.843 2.835 1.00 4.44 H new ATOM 0 HA VAL A 5 0.464 -5.026 3.668 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.492 -6.149 1.693 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.814 -3.668 1.458 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.009 -4.139 3.163 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.496 -3.377 2.618 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.152 -5.063 -0.045 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.120 -4.681 1.139 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.778 -6.376 0.716 1.00 9.13 H new ATOM 92 N LYS A 6 -1.316 -5.849 5.301 1.00 6.04 N ATOM 93 CA LYS A 6 -2.164 -6.334 6.304 1.00 6.12 C ATOM 94 C LYS A 6 -3.487 -5.585 6.475 1.00 6.57 C ATOM 95 O LYS A 6 -3.554 -4.351 6.656 1.00 5.76 O ATOM 96 CB LYS A 6 -1.349 -6.411 7.599 1.00 7.45 C ATOM 97 CG LYS A 6 -2.056 -7.135 8.791 1.00 11.12 C ATOM 98 CD LYS A 6 -2.337 -8.658 8.589 1.00 14.54 C ATOM 99 CE LYS A 6 -2.902 -9.336 9.895 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.996 -10.842 9.700 1.00 20.55 N ATOM 0 H LYS A 6 -0.915 -4.934 5.508 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.507 -7.323 6.001 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.411 -6.924 7.389 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.095 -5.398 7.910 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.441 -7.013 9.682 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.003 -6.633 8.987 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -3.050 -8.790 7.775 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.416 -9.159 8.290 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.254 -9.110 10.742 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.886 -8.929 10.130 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.668 -11.325 10.561 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -3.984 -11.106 9.510 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -2.401 -11.126 8.896 1.00 20.55 H new ATOM 114 N THR A 7 -4.634 -6.248 6.317 1.00 7.41 N ATOM 115 CA THR A 7 -5.960 -5.696 6.309 1.00 7.48 C ATOM 116 C THR A 7 -6.568 -5.666 7.732 1.00 8.75 C ATOM 117 O THR A 7 -6.080 -6.396 8.541 1.00 8.58 O ATOM 118 CB THR A 7 -6.898 -6.295 5.279 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.230 -7.695 5.568 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.301 -6.309 3.846 1.00 9.17 C ATOM 0 H THR A 7 -4.644 -7.259 6.182 1.00 7.41 H new ATOM 0 HA THR A 7 -5.840 -4.665 5.976 1.00 7.48 H new ATOM 0 HB THR A 7 -7.777 -5.652 5.332 1.00 9.61 H new ATOM 0 HG1 THR A 7 -6.406 -8.225 5.610 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.021 -6.750 3.156 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.078 -5.288 3.535 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.384 -6.899 3.839 1.00 9.17 H new ATOM 128 N LEU A 8 -7.593 -4.821 8.030 1.00 9.84 N ATOM 129 CA LEU A 8 -8.271 -4.687 9.353 1.00 14.15 C ATOM 130 C LEU A 8 -8.886 -5.994 9.772 1.00 17.37 C ATOM 131 O LEU A 8 -8.703 -6.410 10.904 1.00 17.01 O ATOM 132 CB LEU A 8 -9.182 -3.438 9.471 1.00 16.63 C ATOM 133 CG LEU A 8 -9.795 -3.196 10.841 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.843 -2.969 12.012 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.836 -2.041 10.633 1.00 18.59 C ATOM 0 H LEU A 8 -7.985 -4.191 7.331 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.508 -4.471 10.101 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.600 -2.559 9.193 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.988 -3.529 8.743 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.259 -4.122 11.181 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.419 -2.810 12.924 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.203 -3.842 12.135 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.227 -2.092 11.815 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.320 -1.812 11.583 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.325 -1.153 10.262 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.588 -2.355 9.909 1.00 18.59 H new ATOM 147 N THR A 9 -9.464 -6.819 8.845 1.00 18.33 N ATOM 148 CA THR A 9 -10.229 -8.076 9.054 1.00 19.24 C ATOM 149 C THR A 9 -9.362 -9.286 8.939 1.00 19.48 C ATOM 150 O THR A 9 -9.812 -10.444 8.882 1.00 23.14 O ATOM 151 CB THR A 9 -11.339 -8.086 7.997 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.849 -7.786 6.717 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.434 -6.998 8.314 1.00 19.70 C ATOM 0 H THR A 9 -9.397 -6.597 7.852 1.00 18.33 H new ATOM 0 HA THR A 9 -10.642 -8.108 10.062 1.00 19.24 H new ATOM 0 HB THR A 9 -11.757 -9.092 8.021 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.586 -7.804 6.072 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.209 -7.028 7.548 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.879 -7.202 9.288 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.973 -6.010 8.326 1.00 19.70 H new ATOM 161 N GLY A 10 -8.055 -9.044 8.861 1.00 19.43 N ATOM 162 CA GLY A 10 -7.030 -10.079 9.134 1.00 18.74 C ATOM 163 C GLY A 10 -6.411 -10.686 7.969 1.00 17.62 C ATOM 164 O GLY A 10 -5.295 -11.213 8.062 1.00 19.74 O ATOM 0 H GLY A 10 -7.667 -8.135 8.609 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.246 -9.633 9.746 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.489 -10.868 9.729 1.00 18.74 H new ATOM 168 N LYS A 11 -7.057 -10.587 6.791 1.00 13.56 N ATOM 169 CA LYS A 11 -6.598 -10.977 5.464 1.00 11.91 C ATOM 170 C LYS A 11 -5.201 -10.447 5.186 1.00 10.18 C ATOM 171 O LYS A 11 -4.948 -9.229 5.425 1.00 9.10 O ATOM 172 CB LYS A 11 -7.533 -10.623 4.300 1.00 13.43 C ATOM 173 CG LYS A 11 -7.126 -10.959 2.879 1.00 16.69 C ATOM 174 CD LYS A 11 -6.978 -12.435 2.550 1.00 17.92 C ATOM 175 CE LYS A 11 -6.815 -12.720 1.076 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.006 -12.244 0.428 1.00 21.93 N ATOM 0 H LYS A 11 -7.998 -10.195 6.752 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.591 -12.066 5.504 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.488 -11.113 4.489 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.712 -9.549 4.342 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.865 -10.530 2.202 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.177 -10.465 2.670 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.115 -12.831 3.084 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.854 -12.969 2.919 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.932 -12.218 0.680 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.680 -13.787 0.901 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.050 -12.624 -0.539 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.841 -12.558 0.962 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.990 -11.205 0.391 1.00 21.93 H new ATOM 190 N THR A 12 -4.165 -11.241 4.763 1.00 9.63 N ATOM 191 CA THR A 12 -2.808 -10.766 4.620 1.00 9.85 C ATOM 192 C THR A 12 -2.478 -10.915 3.185 1.00 11.66 C ATOM 193 O THR A 12 -2.650 -12.004 2.634 1.00 12.33 O ATOM 194 CB THR A 12 -1.745 -11.422 5.501 1.00 10.85 C ATOM 195 OG1 THR A 12 -2.181 -11.561 6.835 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.473 -10.693 5.600 1.00 9.63 C ATOM 0 H THR A 12 -4.281 -12.225 4.519 1.00 9.63 H new ATOM 0 HA THR A 12 -2.783 -9.735 4.973 1.00 9.85 H new ATOM 0 HB THR A 12 -1.585 -12.375 4.997 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.476 -11.985 7.367 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.211 -11.242 6.247 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.033 -10.593 4.608 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.653 -9.703 6.019 1.00 9.63 H new ATOM 204 N ILE A 13 -1.962 -9.867 2.462 1.00 10.42 N ATOM 205 CA ILE A 13 -1.553 -9.925 1.038 1.00 11.84 C ATOM 206 C ILE A 13 -0.060 -9.908 0.964 1.00 10.55 C ATOM 207 O ILE A 13 0.644 -9.398 1.810 1.00 11.92 O ATOM 208 CB ILE A 13 -2.091 -8.677 0.216 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.483 -8.074 0.765 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.080 -8.989 -1.295 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.603 -9.119 0.729 1.00 16.46 C ATOM 0 H ILE A 13 -1.821 -8.944 2.873 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.971 -10.836 0.610 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.397 -7.852 0.379 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.349 -7.719 1.787 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.769 -7.212 0.163 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.451 -8.126 -1.847 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.062 -9.213 -1.613 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.720 -9.849 -1.494 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.525 -8.677 1.106 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.754 -9.455 -0.297 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.327 -9.970 1.352 1.00 16.46 H new ATOM 223 N THR A 14 0.462 -10.571 -0.059 1.00 9.39 N ATOM 224 CA THR A 14 1.863 -10.667 -0.390 1.00 9.63 C ATOM 225 C THR A 14 1.950 -10.012 -1.718 1.00 11.20 C ATOM 226 O THR A 14 1.195 -10.218 -2.684 1.00 11.63 O ATOM 227 CB THR A 14 2.277 -12.164 -0.503 1.00 10.38 C ATOM 228 OG1 THR A 14 1.913 -12.924 0.682 1.00 16.30 O ATOM 229 CG2 THR A 14 3.784 -12.258 -0.634 1.00 11.66 C ATOM 0 H THR A 14 -0.125 -11.085 -0.716 1.00 9.39 H new ATOM 0 HA THR A 14 2.515 -10.210 0.355 1.00 9.63 H new ATOM 0 HB THR A 14 1.759 -12.572 -1.371 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.189 -13.858 0.569 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.078 -13.305 -0.713 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.106 -11.722 -1.527 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.254 -11.815 0.244 1.00 11.66 H new ATOM 237 N LEU A 15 2.941 -9.079 -1.866 1.00 8.29 N ATOM 238 CA LEU A 15 3.078 -8.347 -3.073 1.00 9.03 C ATOM 239 C LEU A 15 4.542 -8.425 -3.448 1.00 8.59 C ATOM 240 O LEU A 15 5.426 -8.615 -2.589 1.00 7.79 O ATOM 241 CB LEU A 15 2.707 -6.882 -2.927 1.00 11.08 C ATOM 242 CG LEU A 15 1.317 -6.483 -2.451 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.237 -4.934 -2.408 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.262 -7.045 -3.448 1.00 15.27 C ATOM 0 H LEU A 15 3.628 -8.850 -1.147 1.00 8.29 H new ATOM 0 HA LEU A 15 2.408 -8.772 -3.821 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.424 -6.435 -2.238 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.862 -6.412 -3.898 1.00 11.08 H new ATOM 0 HG LEU A 15 1.120 -6.886 -1.458 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.247 -4.630 -2.069 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.990 -4.550 -1.720 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.418 -4.533 -3.405 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.738 -6.765 -3.116 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.444 -6.633 -4.441 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.340 -8.132 -3.486 1.00 15.27 H new ATOM 256 N GLU A 16 4.877 -8.261 -4.758 1.00 11.04 N ATOM 257 CA GLU A 16 6.223 -8.175 -5.309 1.00 11.50 C ATOM 258 C GLU A 16 6.386 -6.766 -5.956 1.00 10.13 C ATOM 259 O GLU A 16 5.650 -6.439 -6.895 1.00 9.83 O ATOM 260 CB GLU A 16 6.469 -9.300 -6.307 1.00 17.22 C ATOM 261 CG GLU A 16 7.975 -9.459 -6.661 1.00 23.33 C ATOM 262 CD GLU A 16 8.873 -9.787 -5.504 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.675 -10.782 -4.758 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.866 -9.013 -5.374 1.00 28.90 O ATOM 0 H GLU A 16 4.163 -8.183 -5.482 1.00 11.04 H new ATOM 0 HA GLU A 16 6.970 -8.296 -4.524 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.095 -10.237 -5.894 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.903 -9.104 -7.218 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.074 -10.244 -7.411 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.323 -8.534 -7.120 1.00 23.33 H new ATOM 271 N VAL A 17 7.267 -5.956 -5.353 1.00 8.99 N ATOM 272 CA VAL A 17 7.344 -4.540 -5.776 1.00 8.85 C ATOM 273 C VAL A 17 8.777 -4.058 -5.964 1.00 8.04 C ATOM 274 O VAL A 17 9.747 -4.757 -5.547 1.00 8.99 O ATOM 275 CB VAL A 17 6.569 -3.612 -4.759 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.126 -4.126 -4.595 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.338 -3.646 -3.463 1.00 10.54 C ATOM 0 H VAL A 17 7.908 -6.231 -4.609 1.00 8.99 H new ATOM 0 HA VAL A 17 6.862 -4.476 -6.752 1.00 8.85 H new ATOM 0 HB VAL A 17 6.499 -2.583 -5.111 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.590 -3.487 -3.894 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.621 -4.108 -5.561 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.145 -5.147 -4.214 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.838 -3.017 -2.727 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.383 -4.670 -3.094 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.349 -3.276 -3.630 1.00 10.54 H new ATOM 287 N GLU A 18 9.020 -2.921 -6.694 1.00 7.29 N ATOM 288 CA GLU A 18 10.344 -2.332 -6.657 1.00 7.08 C ATOM 289 C GLU A 18 10.297 -1.101 -5.690 1.00 6.45 C ATOM 290 O GLU A 18 9.268 -0.460 -5.501 1.00 5.28 O ATOM 291 CB GLU A 18 10.831 -1.853 -8.024 1.00 10.28 C ATOM 292 CG GLU A 18 11.204 -3.043 -8.938 1.00 12.65 C ATOM 293 CD GLU A 18 12.483 -3.835 -8.647 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.618 -3.250 -8.647 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.356 -5.085 -8.344 1.00 18.17 O ATOM 0 H GLU A 18 8.337 -2.437 -7.277 1.00 7.29 H new ATOM 0 HA GLU A 18 11.038 -3.102 -6.321 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.053 -1.256 -8.500 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.698 -1.204 -7.897 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.371 -3.746 -8.918 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.277 -2.664 -9.957 1.00 12.65 H new ATOM 302 N PRO A 19 11.409 -0.716 -5.021 1.00 7.24 N ATOM 303 CA PRO A 19 11.381 0.495 -4.250 1.00 7.07 C ATOM 304 C PRO A 19 11.138 1.748 -5.008 1.00 6.65 C ATOM 305 O PRO A 19 10.711 2.767 -4.363 1.00 6.37 O ATOM 306 CB PRO A 19 12.669 0.410 -3.511 1.00 7.61 C ATOM 307 CG PRO A 19 13.611 -0.186 -4.602 1.00 8.16 C ATOM 308 CD PRO A 19 12.737 -1.238 -5.217 1.00 7.49 C ATOM 0 HA PRO A 19 10.516 0.563 -3.590 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.008 1.386 -3.164 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.598 -0.233 -2.634 1.00 7.61 H new ATOM 0 HG2 PRO A 19 13.921 0.564 -5.329 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.519 -0.608 -4.172 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.962 -1.381 -6.274 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.866 -2.204 -4.730 1.00 7.49 H new ATOM 316 N SER A 20 11.344 1.820 -6.370 1.00 6.80 N ATOM 317 CA SER A 20 11.087 2.927 -7.222 1.00 6.28 C ATOM 318 C SER A 20 9.642 2.863 -7.712 1.00 8.45 C ATOM 319 O SER A 20 9.226 3.694 -8.488 1.00 7.26 O ATOM 320 CB SER A 20 11.980 2.845 -8.457 1.00 8.57 C ATOM 321 OG SER A 20 11.970 1.565 -9.042 1.00 11.13 O ATOM 0 H SER A 20 11.721 1.026 -6.887 1.00 6.80 H new ATOM 0 HA SER A 20 11.276 3.845 -6.666 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.649 3.580 -9.191 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.001 3.108 -8.182 1.00 8.57 H new ATOM 0 HG SER A 20 12.554 1.561 -9.829 1.00 11.13 H new ATOM 327 N ASP A 21 8.760 1.965 -7.174 1.00 7.50 N ATOM 328 CA ASP A 21 7.387 1.948 -7.407 1.00 7.70 C ATOM 329 C ASP A 21 6.638 3.046 -6.574 1.00 7.08 C ATOM 330 O ASP A 21 6.722 3.062 -5.364 1.00 8.11 O ATOM 331 CB ASP A 21 6.718 0.614 -7.163 1.00 11.00 C ATOM 332 CG ASP A 21 7.037 -0.463 -8.250 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.238 -0.061 -9.408 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.019 -1.703 -7.973 1.00 14.36 O ATOM 0 H ASP A 21 9.061 1.222 -6.544 1.00 7.50 H new ATOM 0 HA ASP A 21 7.305 2.159 -8.473 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.028 0.236 -6.189 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.639 0.762 -7.118 1.00 11.00 H new ATOM 339 N THR A 22 5.910 3.874 -7.287 1.00 5.37 N ATOM 340 CA THR A 22 4.939 4.759 -6.657 1.00 6.01 C ATOM 341 C THR A 22 3.813 4.047 -5.877 1.00 8.01 C ATOM 342 O THR A 22 3.437 2.942 -6.181 1.00 8.11 O ATOM 343 CB THR A 22 4.145 5.722 -7.546 1.00 8.92 C ATOM 344 OG1 THR A 22 3.502 5.034 -8.647 1.00 10.22 O ATOM 345 CG2 THR A 22 5.132 6.798 -8.096 1.00 9.65 C ATOM 0 H THR A 22 5.966 3.958 -8.302 1.00 5.37 H new ATOM 0 HA THR A 22 5.652 5.299 -6.034 1.00 6.01 H new ATOM 0 HB THR A 22 3.356 6.184 -6.952 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.004 5.680 -9.190 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.590 7.497 -8.733 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.581 7.339 -7.263 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.915 6.310 -8.676 1.00 9.65 H new ATOM 353 N ILE A 23 3.278 4.703 -4.831 1.00 8.32 N ATOM 354 CA ILE A 23 2.329 4.094 -3.962 1.00 9.92 C ATOM 355 C ILE A 23 1.019 3.879 -4.836 1.00 10.01 C ATOM 356 O ILE A 23 0.366 2.866 -4.691 1.00 8.71 O ATOM 357 CB ILE A 23 1.828 4.949 -2.801 1.00 10.78 C ATOM 358 CG1 ILE A 23 2.962 5.443 -1.921 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.612 4.427 -2.008 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.739 4.400 -1.153 1.00 12.30 C ATOM 0 H ILE A 23 3.509 5.667 -4.589 1.00 8.32 H new ATOM 0 HA ILE A 23 2.829 3.217 -3.551 1.00 9.92 H new ATOM 0 HB ILE A 23 1.395 5.814 -3.304 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.663 5.993 -2.549 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.550 6.154 -1.205 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.365 5.132 -1.214 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.241 4.321 -2.678 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.852 3.458 -1.570 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.518 4.886 -0.566 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.065 3.862 -0.487 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.195 3.699 -1.852 1.00 12.30 H new ATOM 372 N GLU A 24 0.692 4.755 -5.748 1.00 9.54 N ATOM 373 CA GLU A 24 -0.348 4.576 -6.767 1.00 11.81 C ATOM 374 C GLU A 24 -0.174 3.249 -7.559 1.00 11.14 C ATOM 375 O GLU A 24 -1.142 2.426 -7.736 1.00 10.62 O ATOM 376 CB GLU A 24 -0.432 5.814 -7.766 1.00 19.24 C ATOM 377 CG GLU A 24 -1.750 5.831 -8.607 1.00 27.76 C ATOM 378 CD GLU A 24 -1.836 7.018 -9.501 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.078 8.163 -9.085 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.652 6.772 -10.737 1.00 36.51 O ATOM 0 H GLU A 24 1.156 5.661 -5.817 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.292 4.520 -6.224 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.359 6.740 -7.195 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.423 5.788 -8.441 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.807 4.923 -9.207 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.608 5.823 -7.934 1.00 27.76 H new ATOM 387 N ASN A 25 1.055 2.967 -8.041 1.00 9.43 N ATOM 388 CA ASN A 25 1.390 1.708 -8.656 1.00 10.96 C ATOM 389 C ASN A 25 1.080 0.511 -7.788 1.00 9.68 C ATOM 390 O ASN A 25 0.655 -0.560 -8.209 1.00 9.33 O ATOM 391 CB ASN A 25 2.828 1.737 -9.188 1.00 16.78 C ATOM 392 CG ASN A 25 3.168 0.522 -10.041 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.832 -0.427 -9.608 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.668 0.522 -11.278 1.00 24.70 N ATOM 0 H ASN A 25 1.833 3.625 -8.004 1.00 9.43 H new ATOM 0 HA ASN A 25 0.733 1.576 -9.516 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.974 2.642 -9.778 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.520 1.790 -8.348 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.830 -0.275 -11.894 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.124 1.319 -11.608 1.00 24.70 H new ATOM 401 N VAL A 26 1.502 0.698 -6.491 1.00 6.52 N ATOM 402 CA VAL A 26 1.429 -0.348 -5.466 1.00 5.53 C ATOM 403 C VAL A 26 -0.019 -0.698 -5.190 1.00 4.42 C ATOM 404 O VAL A 26 -0.440 -1.849 -5.151 1.00 3.40 O ATOM 405 CB VAL A 26 2.204 0.040 -4.178 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.865 -0.988 -3.019 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.699 -0.022 -4.482 1.00 8.12 C ATOM 0 H VAL A 26 1.895 1.577 -6.153 1.00 6.52 H new ATOM 0 HA VAL A 26 1.925 -1.241 -5.847 1.00 5.53 H new ATOM 0 HB VAL A 26 1.920 1.043 -3.860 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.411 -0.712 -2.117 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.794 -0.967 -2.816 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.156 -1.992 -3.327 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.263 0.247 -3.589 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.966 -1.033 -4.789 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.936 0.675 -5.285 1.00 8.12 H new ATOM 417 N LYS A 27 -0.929 0.312 -5.114 1.00 2.64 N ATOM 418 CA LYS A 27 -2.386 0.157 -4.904 1.00 4.14 C ATOM 419 C LYS A 27 -3.107 -0.464 -6.176 1.00 5.58 C ATOM 420 O LYS A 27 -4.173 -1.069 -6.053 1.00 4.11 O ATOM 421 CB LYS A 27 -3.037 1.520 -4.513 1.00 3.97 C ATOM 422 CG LYS A 27 -2.575 2.094 -3.140 1.00 7.45 C ATOM 423 CD LYS A 27 -3.347 3.361 -2.758 1.00 9.02 C ATOM 424 CE LYS A 27 -3.226 4.353 -3.889 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.856 5.666 -3.589 1.00 15.47 N ATOM 0 H LYS A 27 -0.652 1.290 -5.201 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.521 -0.543 -4.079 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.813 2.250 -5.290 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.120 1.397 -4.494 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.713 1.339 -2.366 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.509 2.318 -3.181 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.395 3.125 -2.571 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.947 3.785 -1.837 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.171 4.507 -4.116 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.687 3.932 -4.783 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.555 6.365 -4.297 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.891 5.569 -3.617 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.563 5.983 -2.643 1.00 15.47 H new ATOM 439 N ALA A 28 -2.636 -0.185 -7.419 1.00 6.61 N ATOM 440 CA ALA A 28 -2.943 -0.923 -8.617 1.00 7.74 C ATOM 441 C ALA A 28 -2.485 -2.420 -8.624 1.00 9.17 C ATOM 442 O ALA A 28 -3.148 -3.307 -9.211 1.00 11.45 O ATOM 443 CB ALA A 28 -2.454 -0.143 -9.836 1.00 7.68 C ATOM 0 H ALA A 28 -2.007 0.599 -7.594 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.029 -1.011 -8.656 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.686 -0.702 -10.743 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.950 0.827 -9.870 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.376 0.003 -9.766 1.00 7.68 H new ATOM 449 N LYS A 29 -1.369 -2.798 -8.025 1.00 8.96 N ATOM 450 CA LYS A 29 -1.043 -4.161 -7.686 1.00 7.90 C ATOM 451 C LYS A 29 -1.948 -4.791 -6.601 1.00 6.92 C ATOM 452 O LYS A 29 -2.498 -5.861 -6.752 1.00 6.87 O ATOM 453 CB LYS A 29 0.426 -4.111 -7.322 1.00 10.28 C ATOM 454 CG LYS A 29 1.021 -5.501 -7.316 1.00 14.94 C ATOM 455 CD LYS A 29 2.519 -5.499 -7.518 1.00 19.69 C ATOM 456 CE LYS A 29 2.937 -5.294 -8.999 1.00 22.63 C ATOM 457 NZ LYS A 29 4.435 -5.250 -9.090 1.00 24.98 N ATOM 0 H LYS A 29 -0.642 -2.135 -7.754 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.231 -4.836 -8.521 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.961 -3.484 -8.035 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.547 -3.653 -6.340 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.788 -5.987 -6.369 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.554 -6.094 -8.102 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.960 -4.709 -6.910 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.929 -6.443 -7.159 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.547 -6.105 -9.614 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.510 -4.368 -9.385 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.753 -5.850 -9.877 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.744 -4.271 -9.255 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.847 -5.598 -8.201 1.00 24.98 H new ATOM 471 N ILE A 30 -2.337 -4.031 -5.558 1.00 4.57 N ATOM 472 CA ILE A 30 -3.414 -4.428 -4.646 1.00 5.58 C ATOM 473 C ILE A 30 -4.732 -4.657 -5.309 1.00 7.26 C ATOM 474 O ILE A 30 -5.561 -5.538 -5.008 1.00 9.46 O ATOM 475 CB ILE A 30 -3.616 -3.412 -3.527 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.298 -3.506 -2.673 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.718 -3.901 -2.538 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.273 -2.512 -1.495 1.00 2.00 C ATOM 0 H ILE A 30 -1.913 -3.132 -5.330 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.073 -5.381 -4.242 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.864 -2.436 -3.943 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.192 -4.520 -2.288 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.439 -3.319 -3.318 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.849 -3.164 -1.746 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.658 -4.028 -3.075 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.418 -4.854 -2.101 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.339 -2.625 -0.944 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.349 -1.494 -1.876 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.113 -2.714 -0.831 1.00 2.00 H new ATOM 490 N GLN A 31 -5.109 -3.833 -6.318 1.00 7.06 N ATOM 491 CA GLN A 31 -6.273 -3.947 -7.130 1.00 8.67 C ATOM 492 C GLN A 31 -6.368 -5.241 -7.929 1.00 10.90 C ATOM 493 O GLN A 31 -7.458 -5.826 -7.980 1.00 9.63 O ATOM 494 CB GLN A 31 -6.451 -2.766 -8.168 1.00 9.12 C ATOM 495 CG GLN A 31 -7.898 -2.605 -8.641 1.00 10.76 C ATOM 496 CD GLN A 31 -8.198 -1.463 -9.627 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.234 -0.802 -9.535 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.310 -1.178 -10.627 1.00 14.76 N ATOM 0 H GLN A 31 -4.544 -3.024 -6.577 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.063 -3.919 -6.380 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.117 -1.834 -7.712 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.810 -2.947 -9.031 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.206 -3.541 -9.106 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.526 -2.464 -7.761 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.449 -1.718 -10.714 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.509 -0.425 -11.286 1.00 14.76 H new ATOM 507 N ASP A 32 -5.274 -5.703 -8.495 1.00 10.93 N ATOM 508 CA ASP A 32 -5.196 -6.951 -9.148 1.00 14.01 C ATOM 509 C ASP A 32 -5.476 -8.113 -8.220 1.00 14.04 C ATOM 510 O ASP A 32 -6.354 -8.956 -8.434 1.00 13.39 O ATOM 511 CB ASP A 32 -3.744 -7.063 -9.837 1.00 18.01 C ATOM 512 CG ASP A 32 -3.727 -8.176 -10.777 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.768 -8.467 -11.436 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.639 -8.850 -10.890 1.00 25.17 O ATOM 0 H ASP A 32 -4.394 -5.186 -8.502 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.973 -7.007 -9.910 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.505 -6.134 -10.355 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.980 -7.208 -9.074 1.00 18.01 H new ATOM 519 N LYS A 33 -4.778 -8.093 -7.044 1.00 14.22 N ATOM 520 CA LYS A 33 -4.876 -9.045 -5.990 1.00 14.00 C ATOM 521 C LYS A 33 -6.239 -9.276 -5.356 1.00 12.37 C ATOM 522 O LYS A 33 -6.662 -10.411 -5.159 1.00 12.17 O ATOM 523 CB LYS A 33 -3.920 -8.624 -4.882 1.00 18.62 C ATOM 524 CG LYS A 33 -2.454 -9.084 -5.130 1.00 24.00 C ATOM 525 CD LYS A 33 -2.224 -10.558 -4.851 1.00 27.61 C ATOM 526 CE LYS A 33 -0.795 -10.924 -5.064 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.490 -12.258 -4.538 1.00 30.06 N ATOM 0 H LYS A 33 -4.106 -7.355 -6.835 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.638 -9.993 -6.473 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.942 -7.539 -4.785 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.268 -9.036 -3.935 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.186 -8.873 -6.165 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.786 -8.495 -4.501 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.513 -10.787 -3.825 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.858 -11.159 -5.503 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.567 -10.893 -6.129 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.155 -10.187 -4.579 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.513 -12.476 -4.705 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.684 -12.281 -3.516 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.083 -12.965 -5.019 1.00 30.06 H new ATOM 541 N GLU A 34 -6.933 -8.191 -4.960 1.00 10.11 N ATOM 542 CA GLU A 34 -8.113 -8.160 -4.101 1.00 10.07 C ATOM 543 C GLU A 34 -9.354 -7.500 -4.758 1.00 9.32 C ATOM 544 O GLU A 34 -10.412 -7.619 -4.139 1.00 11.61 O ATOM 545 CB GLU A 34 -7.785 -7.444 -2.742 1.00 14.77 C ATOM 546 CG GLU A 34 -6.906 -8.311 -1.742 1.00 18.75 C ATOM 547 CD GLU A 34 -7.669 -9.550 -1.270 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.653 -10.606 -1.954 1.00 25.19 O ATOM 549 OE2 GLU A 34 -8.362 -9.457 -0.224 1.00 21.95 O ATOM 0 H GLU A 34 -6.658 -7.255 -5.257 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.376 -9.203 -3.923 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.261 -6.512 -2.953 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.720 -7.179 -2.249 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.982 -8.615 -2.235 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.624 -7.704 -0.882 1.00 18.75 H new ATOM 556 N GLY A 35 -9.349 -6.836 -5.954 1.00 7.22 N ATOM 557 CA GLY A 35 -10.481 -6.174 -6.569 1.00 6.29 C ATOM 558 C GLY A 35 -10.699 -4.764 -6.014 1.00 6.93 C ATOM 559 O GLY A 35 -11.547 -4.003 -6.498 1.00 7.41 O ATOM 0 H GLY A 35 -8.504 -6.760 -6.520 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.326 -6.118 -7.646 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.380 -6.769 -6.407 1.00 6.29 H new ATOM 563 N ILE A 36 -9.890 -4.235 -5.081 1.00 5.86 N ATOM 564 CA ILE A 36 -10.198 -2.963 -4.406 1.00 6.07 C ATOM 565 C ILE A 36 -9.851 -1.709 -5.270 1.00 6.36 C ATOM 566 O ILE A 36 -8.666 -1.598 -5.623 1.00 6.18 O ATOM 567 CB ILE A 36 -9.564 -2.855 -3.041 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.568 -4.209 -2.274 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.169 -1.658 -2.273 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.457 -4.415 -1.225 1.00 9.49 C ATOM 0 H ILE A 36 -9.018 -4.668 -4.777 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.279 -2.977 -4.270 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.502 -2.637 -3.152 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.531 -4.314 -1.774 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.499 -5.014 -3.005 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.707 -1.586 -1.289 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.984 -0.739 -2.829 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.243 -1.804 -2.160 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.571 -5.395 -0.762 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.483 -4.353 -1.710 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.531 -3.642 -0.460 1.00 9.49 H new ATOM 582 N PRO A 37 -10.784 -0.800 -5.586 1.00 8.65 N ATOM 583 CA PRO A 37 -10.488 0.397 -6.281 1.00 9.18 C ATOM 584 C PRO A 37 -9.468 1.327 -5.627 1.00 9.85 C ATOM 585 O PRO A 37 -9.735 1.576 -4.437 1.00 8.51 O ATOM 586 CB PRO A 37 -11.832 1.149 -6.409 1.00 11.42 C ATOM 587 CG PRO A 37 -12.905 0.037 -6.282 1.00 9.27 C ATOM 588 CD PRO A 37 -12.278 -0.931 -5.320 1.00 8.33 C ATOM 0 HA PRO A 37 -10.024 0.115 -7.226 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.943 1.901 -5.628 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.908 1.668 -7.364 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.849 0.429 -5.903 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.117 -0.430 -7.244 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.523 -0.682 -4.287 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.627 -1.949 -5.494 1.00 8.33 H new ATOM 596 N PRO A 38 -8.348 1.786 -6.226 1.00 8.71 N ATOM 597 CA PRO A 38 -7.141 2.282 -5.473 1.00 9.08 C ATOM 598 C PRO A 38 -7.336 3.555 -4.654 1.00 9.28 C ATOM 599 O PRO A 38 -6.505 3.887 -3.799 1.00 6.50 O ATOM 600 CB PRO A 38 -6.103 2.473 -6.584 1.00 10.31 C ATOM 601 CG PRO A 38 -6.439 1.413 -7.581 1.00 10.81 C ATOM 602 CD PRO A 38 -7.961 1.450 -7.615 1.00 12.00 C ATOM 0 HA PRO A 38 -6.857 1.572 -4.696 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.168 3.468 -7.023 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.088 2.357 -6.205 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.008 1.627 -8.559 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.065 0.436 -7.274 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.325 2.196 -8.321 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.376 0.490 -7.923 1.00 12.00 H new ATOM 610 N ASP A 39 -8.426 4.298 -4.864 1.00 11.20 N ATOM 611 CA ASP A 39 -8.648 5.531 -4.117 1.00 14.96 C ATOM 612 C ASP A 39 -9.595 5.204 -3.063 1.00 13.99 C ATOM 613 O ASP A 39 -9.865 6.065 -2.210 1.00 13.75 O ATOM 614 CB ASP A 39 -9.327 6.527 -5.106 1.00 24.16 C ATOM 615 CG ASP A 39 -8.559 6.707 -6.390 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.484 7.348 -6.324 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.068 6.331 -7.434 1.00 34.22 O ATOM 0 H ASP A 39 -9.158 4.069 -5.537 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.732 5.954 -3.704 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.331 6.171 -5.338 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.437 7.495 -4.618 1.00 24.16 H new ATOM 622 N GLN A 40 -10.052 3.926 -2.976 1.00 11.60 N ATOM 623 CA GLN A 40 -10.807 3.436 -1.787 1.00 10.76 C ATOM 624 C GLN A 40 -9.977 2.592 -0.869 1.00 8.01 C ATOM 625 O GLN A 40 -10.511 1.899 -0.018 1.00 8.96 O ATOM 626 CB GLN A 40 -12.170 2.729 -2.221 1.00 11.14 C ATOM 627 CG GLN A 40 -12.943 3.572 -3.201 1.00 14.85 C ATOM 628 CD GLN A 40 -14.303 2.925 -3.619 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.972 2.218 -2.818 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.769 3.174 -4.867 1.00 18.16 N ATOM 0 H GLN A 40 -9.914 3.224 -3.703 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.074 4.313 -1.197 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.951 1.759 -2.667 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.782 2.543 -1.338 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.132 4.551 -2.760 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.335 3.735 -4.091 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.223 3.747 -5.510 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.666 2.789 -5.163 1.00 18.16 H new ATOM 639 N GLN A 41 -8.622 2.609 -1.065 1.00 6.52 N ATOM 640 CA GLN A 41 -7.540 2.045 -0.282 1.00 3.87 C ATOM 641 C GLN A 41 -6.679 3.224 0.301 1.00 4.79 C ATOM 642 O GLN A 41 -6.501 4.336 -0.158 1.00 6.34 O ATOM 643 CB GLN A 41 -6.555 1.313 -1.201 1.00 4.20 C ATOM 644 CG GLN A 41 -7.216 0.175 -2.123 1.00 3.20 C ATOM 645 CD GLN A 41 -6.172 -0.581 -2.897 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.063 -0.789 -2.431 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.429 -1.066 -4.150 1.00 7.13 N ATOM 0 H GLN A 41 -8.246 3.085 -1.885 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.977 1.394 0.475 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.067 2.045 -1.845 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.777 0.858 -0.588 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.781 -0.518 -1.499 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.924 0.631 -2.815 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.343 -0.915 -4.578 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.707 -1.579 -4.656 1.00 7.13 H new ATOM 656 N ARG A 42 -6.077 2.900 1.456 1.00 5.73 N ATOM 657 CA ARG A 42 -5.127 3.662 2.146 1.00 6.97 C ATOM 658 C ARG A 42 -4.119 2.753 2.879 1.00 7.15 C ATOM 659 O ARG A 42 -4.431 1.729 3.461 1.00 7.33 O ATOM 660 CB ARG A 42 -5.751 4.532 3.254 1.00 13.23 C ATOM 661 CG ARG A 42 -6.334 5.807 2.648 1.00 21.27 C ATOM 662 CD ARG A 42 -6.607 6.940 3.682 1.00 26.14 C ATOM 663 NE ARG A 42 -7.009 8.169 2.867 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.394 9.332 3.471 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.608 9.425 4.785 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.373 10.411 2.736 1.00 36.39 N ATOM 0 H ARG A 42 -6.285 2.024 1.935 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.658 4.282 1.382 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.532 3.974 3.770 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.996 4.785 3.998 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.648 6.181 1.889 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.267 5.561 2.141 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.400 6.654 4.373 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.719 7.143 4.281 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.989 8.119 1.848 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.485 8.606 5.381 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.895 10.315 5.193 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.079 10.358 1.761 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.651 11.307 3.137 1.00 36.39 H new ATOM 680 N LEU A 43 -2.859 3.139 2.795 1.00 4.65 N ATOM 681 CA LEU A 43 -1.773 2.331 3.186 1.00 3.51 C ATOM 682 C LEU A 43 -0.986 3.102 4.221 1.00 5.56 C ATOM 683 O LEU A 43 -0.689 4.299 4.019 1.00 4.19 O ATOM 684 CB LEU A 43 -0.849 2.016 1.978 1.00 3.74 C ATOM 685 CG LEU A 43 -1.484 1.142 0.843 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.439 0.854 -0.189 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.987 -0.120 1.451 1.00 6.41 C ATOM 0 H LEU A 43 -2.580 4.053 2.440 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.143 1.386 3.584 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.518 2.959 1.542 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.040 1.506 2.348 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.312 1.664 0.363 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.871 0.246 -0.984 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.073 1.791 -0.607 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.388 0.315 0.272 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.434 -0.744 0.677 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.159 -0.655 1.916 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.737 0.114 2.206 1.00 6.41 H new ATOM 699 N ILE A 44 -0.675 2.426 5.377 1.00 4.58 N ATOM 700 CA ILE A 44 -0.162 3.080 6.585 1.00 5.55 C ATOM 701 C ILE A 44 1.173 2.365 6.960 1.00 5.46 C ATOM 702 O ILE A 44 1.206 1.146 7.152 1.00 6.04 O ATOM 703 CB ILE A 44 -1.021 3.077 7.895 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.544 3.305 7.708 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.461 4.112 8.900 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.028 4.614 7.114 1.00 13.90 C ATOM 0 H ILE A 44 -0.780 1.416 5.475 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.113 4.129 6.292 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.932 2.060 8.277 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.922 2.499 7.078 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.015 3.194 8.685 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.065 4.102 9.807 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.570 3.858 9.148 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.492 5.106 8.454 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.116 4.606 7.054 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.705 5.442 7.746 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.611 4.736 6.115 1.00 13.90 H new ATOM 718 N PHE A 45 2.241 3.157 7.105 1.00 6.75 N ATOM 719 CA PHE A 45 3.543 2.644 7.496 1.00 4.70 C ATOM 720 C PHE A 45 4.202 3.553 8.487 1.00 6.34 C ATOM 721 O PHE A 45 4.375 4.701 8.225 1.00 5.45 O ATOM 722 CB PHE A 45 4.520 2.414 6.313 1.00 5.51 C ATOM 723 CG PHE A 45 5.729 1.533 6.656 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.638 0.104 6.811 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.908 2.158 6.985 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.808 -0.629 7.101 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.107 1.420 7.254 1.00 6.64 C ATOM 728 CZ PHE A 45 8.039 0.029 7.307 1.00 6.84 C ATOM 0 H PHE A 45 2.220 4.165 6.954 1.00 6.75 H new ATOM 0 HA PHE A 45 3.335 1.670 7.940 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.973 1.956 5.489 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.878 3.381 5.959 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.688 -0.399 6.707 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.932 3.236 7.043 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.761 -1.706 7.166 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.045 1.932 7.413 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.931 -0.547 7.506 1.00 6.84 H new ATOM 738 N ALA A 46 4.525 3.007 9.699 1.00 6.53 N ATOM 739 CA ALA A 46 5.325 3.666 10.789 1.00 7.15 C ATOM 740 C ALA A 46 4.831 5.063 11.159 1.00 9.00 C ATOM 741 O ALA A 46 5.608 5.998 11.177 1.00 11.15 O ATOM 742 CB ALA A 46 6.848 3.598 10.602 1.00 8.99 C ATOM 0 H ALA A 46 4.228 2.066 9.956 1.00 6.53 H new ATOM 0 HA ALA A 46 5.128 3.042 11.661 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.340 4.099 11.436 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.164 2.555 10.568 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.122 4.091 9.670 1.00 8.99 H new ATOM 748 N GLY A 47 3.493 5.181 11.329 1.00 9.35 N ATOM 749 CA GLY A 47 2.907 6.437 11.607 1.00 11.68 C ATOM 750 C GLY A 47 2.718 7.312 10.380 1.00 11.14 C ATOM 751 O GLY A 47 2.267 8.452 10.561 1.00 13.93 O ATOM 0 H GLY A 47 2.834 4.404 11.272 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.938 6.278 12.081 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.531 6.967 12.327 1.00 11.68 H new ATOM 755 N LYS A 48 3.090 6.915 9.156 1.00 10.47 N ATOM 756 CA LYS A 48 2.941 7.695 7.940 1.00 8.82 C ATOM 757 C LYS A 48 1.829 7.185 7.038 1.00 7.68 C ATOM 758 O LYS A 48 1.651 5.985 6.899 1.00 6.47 O ATOM 759 CB LYS A 48 4.233 7.790 7.082 1.00 9.74 C ATOM 760 CG LYS A 48 5.512 8.181 7.775 1.00 14.14 C ATOM 761 CD LYS A 48 6.748 8.059 6.895 1.00 16.32 C ATOM 762 CE LYS A 48 7.992 8.768 7.499 1.00 20.04 C ATOM 763 NZ LYS A 48 7.915 10.243 7.292 1.00 23.92 N ATOM 0 H LYS A 48 3.519 6.005 8.989 1.00 10.47 H new ATOM 0 HA LYS A 48 2.693 8.687 8.317 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.392 6.821 6.608 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.052 8.509 6.283 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.426 9.210 8.124 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.642 7.555 8.658 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.976 7.004 6.741 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.534 8.485 5.915 1.00 16.32 H new ATOM 0 HE2 LYS A 48 8.059 8.549 8.565 1.00 20.04 H new ATOM 0 HE3 LYS A 48 8.899 8.378 7.036 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.756 10.696 7.703 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.874 10.449 6.273 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.061 10.614 7.755 1.00 23.92 H new ATOM 777 N GLN A 49 1.071 8.134 6.408 1.00 8.89 N ATOM 778 CA GLN A 49 0.044 7.790 5.431 1.00 7.18 C ATOM 779 C GLN A 49 0.671 8.023 4.073 1.00 8.23 C ATOM 780 O GLN A 49 1.241 9.099 3.802 1.00 9.70 O ATOM 781 CB GLN A 49 -1.252 8.598 5.623 1.00 11.67 C ATOM 782 CG GLN A 49 -2.453 8.181 4.708 1.00 15.82 C ATOM 783 CD GLN A 49 -3.627 9.189 4.910 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.581 8.865 5.630 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.499 10.381 4.336 1.00 20.67 N ATOM 0 H GLN A 49 1.168 9.136 6.574 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.269 6.753 5.547 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.564 8.509 6.664 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.032 9.651 5.445 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.143 8.170 3.663 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.779 7.170 4.954 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.686 10.582 3.754 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.214 11.095 4.478 1.00 20.67 H new ATOM 794 N LEU A 50 0.636 6.966 3.191 1.00 6.51 N ATOM 795 CA LEU A 50 1.471 6.982 2.027 1.00 7.41 C ATOM 796 C LEU A 50 0.711 7.707 0.843 1.00 8.27 C ATOM 797 O LEU A 50 -0.354 7.268 0.440 1.00 8.34 O ATOM 798 CB LEU A 50 2.149 5.577 1.709 1.00 7.13 C ATOM 799 CG LEU A 50 2.678 4.840 3.005 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.273 3.505 2.689 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.699 5.697 3.757 1.00 9.11 C ATOM 0 H LEU A 50 0.047 6.139 3.294 1.00 6.51 H new ATOM 0 HA LEU A 50 2.357 7.588 2.215 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.426 4.937 1.203 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.979 5.728 1.019 1.00 7.13 H new ATOM 0 HG LEU A 50 1.810 4.682 3.645 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.623 3.036 3.609 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.518 2.872 2.223 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.112 3.633 2.005 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.042 5.161 4.642 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.549 5.905 3.107 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.234 6.636 4.059 1.00 9.11 H new ATOM 813 N GLU A 51 1.301 8.853 0.338 1.00 9.43 N ATOM 814 CA GLU A 51 0.797 9.708 -0.773 1.00 11.90 C ATOM 815 C GLU A 51 0.936 9.095 -2.150 1.00 11.49 C ATOM 816 O GLU A 51 1.843 8.354 -2.411 1.00 9.88 O ATOM 817 CB GLU A 51 1.476 11.122 -0.827 1.00 16.56 C ATOM 818 CG GLU A 51 1.296 11.978 0.485 1.00 26.06 C ATOM 819 CD GLU A 51 1.934 13.335 0.431 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.586 14.195 -0.449 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.931 13.513 1.241 1.00 33.44 O ATOM 0 H GLU A 51 2.177 9.208 0.721 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.261 9.804 -0.530 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.541 10.994 -1.020 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.064 11.678 -1.669 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.231 12.098 0.683 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.716 11.425 1.325 1.00 26.06 H new ATOM 828 N ASP A 52 0.005 9.372 -3.048 1.00 12.71 N ATOM 829 CA ASP A 52 -0.107 8.634 -4.277 1.00 16.56 C ATOM 830 C ASP A 52 1.137 8.591 -5.258 1.00 15.83 C ATOM 831 O ASP A 52 1.533 7.519 -5.700 1.00 17.21 O ATOM 832 CB ASP A 52 -1.327 8.916 -5.186 1.00 21.05 C ATOM 833 CG ASP A 52 -2.723 8.823 -4.551 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.098 9.671 -3.734 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.491 7.954 -5.034 1.00 25.82 O ATOM 0 H ASP A 52 -0.687 10.113 -2.938 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.214 7.674 -3.772 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.213 9.917 -5.601 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.291 8.218 -6.023 1.00 21.05 H new ATOM 840 N GLY A 53 1.750 9.770 -5.598 1.00 15.00 N ATOM 841 CA GLY A 53 2.964 9.857 -6.423 1.00 11.77 C ATOM 842 C GLY A 53 4.239 9.607 -5.666 1.00 11.10 C ATOM 843 O GLY A 53 5.258 9.713 -6.328 1.00 11.25 O ATOM 0 H GLY A 53 1.401 10.680 -5.297 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.890 9.136 -7.237 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.012 10.847 -6.877 1.00 11.77 H new ATOM 847 N ARG A 54 4.269 9.394 -4.363 1.00 8.53 N ATOM 848 CA ARG A 54 5.455 9.062 -3.553 1.00 9.05 C ATOM 849 C ARG A 54 5.872 7.643 -3.836 1.00 8.96 C ATOM 850 O ARG A 54 5.025 6.798 -4.093 1.00 11.60 O ATOM 851 CB ARG A 54 5.289 9.304 -2.043 1.00 7.97 C ATOM 852 CG ARG A 54 5.565 10.777 -1.678 1.00 9.62 C ATOM 853 CD ARG A 54 7.076 10.999 -1.574 1.00 12.20 C ATOM 854 NE ARG A 54 7.210 12.306 -0.947 1.00 18.23 N ATOM 855 CZ ARG A 54 8.373 12.991 -0.834 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.554 12.526 -1.296 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.391 14.072 -0.042 1.00 23.38 N ATOM 0 H ARG A 54 3.422 9.448 -3.797 1.00 8.53 H new ATOM 0 HA ARG A 54 6.241 9.754 -3.855 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.278 9.035 -1.738 1.00 7.97 H new ATOM 0 HB3 ARG A 54 5.971 8.657 -1.492 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.140 11.437 -2.435 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.084 11.025 -0.732 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.551 10.221 -0.976 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.549 10.980 -2.556 1.00 12.20 H new ATOM 0 HE ARG A 54 6.368 12.737 -0.565 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.599 11.617 -1.757 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.401 13.084 -1.184 1.00 25.50 H new ATOM 0 HH21 ARG A 54 7.545 14.356 0.453 1.00 23.38 H new ATOM 0 HH22 ARG A 54 9.250 14.611 0.066 1.00 23.38 H new ATOM 871 N THR A 55 7.218 7.385 -3.742 1.00 9.05 N ATOM 872 CA THR A 55 7.728 6.016 -4.008 1.00 9.03 C ATOM 873 C THR A 55 8.021 5.327 -2.649 1.00 8.15 C ATOM 874 O THR A 55 8.167 6.023 -1.635 1.00 5.91 O ATOM 875 CB THR A 55 8.958 5.891 -4.916 1.00 11.15 C ATOM 876 OG1 THR A 55 10.196 6.233 -4.298 1.00 11.95 O ATOM 877 CG2 THR A 55 8.728 6.682 -6.232 1.00 11.71 C ATOM 0 H THR A 55 7.928 8.074 -3.496 1.00 9.05 H new ATOM 0 HA THR A 55 6.934 5.530 -4.576 1.00 9.03 H new ATOM 0 HB THR A 55 9.062 4.830 -5.143 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.039 6.900 -3.597 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.606 6.588 -6.871 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.857 6.281 -6.750 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.559 7.733 -6.000 1.00 11.71 H new ATOM 885 N LEU A 56 7.970 3.976 -2.657 1.00 6.91 N ATOM 886 CA LEU A 56 8.324 3.097 -1.502 1.00 8.29 C ATOM 887 C LEU A 56 9.721 3.456 -0.862 1.00 8.05 C ATOM 888 O LEU A 56 9.973 3.462 0.365 1.00 10.17 O ATOM 889 CB LEU A 56 8.233 1.594 -1.854 1.00 6.60 C ATOM 890 CG LEU A 56 6.822 1.117 -2.155 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.810 -0.219 -2.888 1.00 9.85 C ATOM 892 CD2 LEU A 56 5.856 1.168 -0.922 1.00 8.64 C ATOM 0 H LEU A 56 7.677 3.448 -3.479 1.00 6.91 H new ATOM 0 HA LEU A 56 7.570 3.297 -0.741 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.866 1.394 -2.719 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.634 1.012 -1.024 1.00 6.60 H new ATOM 0 HG LEU A 56 6.403 1.847 -2.848 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.780 -0.519 -3.081 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.343 -0.120 -3.834 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.299 -0.975 -2.274 1.00 9.85 H new ATOM 0 HD21 LEU A 56 4.869 0.812 -1.218 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.247 0.533 -0.127 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.779 2.194 -0.563 1.00 8.64 H new ATOM 904 N SER A 57 10.634 3.782 -1.768 1.00 8.92 N ATOM 905 CA SER A 57 11.983 4.223 -1.416 1.00 9.00 C ATOM 906 C SER A 57 11.972 5.576 -0.628 1.00 9.44 C ATOM 907 O SER A 57 12.806 5.771 0.236 1.00 10.91 O ATOM 908 CB SER A 57 12.906 4.517 -2.689 1.00 10.32 C ATOM 909 OG SER A 57 14.244 4.870 -2.298 1.00 13.59 O ATOM 0 H SER A 57 10.462 3.749 -2.773 1.00 8.92 H new ATOM 0 HA SER A 57 12.374 3.395 -0.824 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.934 3.637 -3.331 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.472 5.326 -3.276 1.00 10.32 H new ATOM 0 HG SER A 57 14.784 5.042 -3.098 1.00 13.59 H new ATOM 915 N ASP A 58 11.095 6.580 -0.980 1.00 9.11 N ATOM 916 CA ASP A 58 11.026 7.801 -0.307 1.00 7.91 C ATOM 917 C ASP A 58 10.602 7.633 1.124 1.00 9.12 C ATOM 918 O ASP A 58 10.845 8.504 2.006 1.00 8.61 O ATOM 919 CB ASP A 58 10.026 8.868 -0.963 1.00 8.41 C ATOM 920 CG ASP A 58 10.292 9.206 -2.371 1.00 11.50 C ATOM 921 OD1 ASP A 58 9.757 8.498 -3.270 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.979 10.210 -2.644 1.00 10.05 O ATOM 0 H ASP A 58 10.437 6.501 -1.755 1.00 9.11 H new ATOM 0 HA ASP A 58 12.044 8.182 -0.380 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.010 8.482 -0.886 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.064 9.785 -0.374 1.00 8.41 H new ATOM 927 N TYR A 59 9.936 6.516 1.473 1.00 7.97 N ATOM 928 CA TYR A 59 9.542 6.149 2.852 1.00 8.45 C ATOM 929 C TYR A 59 10.445 5.162 3.569 1.00 10.98 C ATOM 930 O TYR A 59 10.110 4.742 4.668 1.00 12.95 O ATOM 931 CB TYR A 59 8.109 5.565 2.778 1.00 7.94 C ATOM 932 CG TYR A 59 7.195 6.571 2.297 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.033 7.754 3.045 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.334 6.292 1.198 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.154 8.714 2.607 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.309 7.202 0.881 1.00 6.52 C ATOM 937 CZ TYR A 59 5.203 8.404 1.638 1.00 6.76 C ATOM 938 OH TYR A 59 4.131 9.282 1.387 1.00 7.63 O ATOM 0 H TYR A 59 9.647 5.821 0.784 1.00 7.97 H new ATOM 0 HA TYR A 59 9.617 7.061 3.445 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.093 4.700 2.115 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.797 5.218 3.763 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.595 7.905 3.955 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.466 5.393 0.615 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.200 9.713 3.015 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.616 6.993 0.079 1.00 6.52 H new ATOM 0 HH TYR A 59 4.412 10.202 1.573 1.00 7.63 H new ATOM 948 N ASN A 60 11.537 4.766 2.905 1.00 12.38 N ATOM 949 CA ASN A 60 12.419 3.746 3.440 1.00 13.94 C ATOM 950 C ASN A 60 11.687 2.436 3.803 1.00 14.16 C ATOM 951 O ASN A 60 11.872 1.842 4.880 1.00 14.26 O ATOM 952 CB ASN A 60 13.331 4.268 4.598 1.00 19.23 C ATOM 953 CG ASN A 60 13.950 5.596 4.165 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.578 6.642 4.710 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.857 5.633 3.137 1.00 24.09 N ATOM 0 H ASN A 60 11.823 5.140 2.000 1.00 12.38 H new ATOM 0 HA ASN A 60 13.092 3.492 2.621 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.748 4.401 5.509 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.112 3.541 4.822 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.229 6.527 2.817 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.159 4.766 2.692 1.00 24.09 H new ATOM 962 N ILE A 61 10.838 1.915 2.876 1.00 11.08 N ATOM 963 CA ILE A 61 10.192 0.591 2.992 1.00 11.78 C ATOM 964 C ILE A 61 11.070 -0.477 2.370 1.00 13.74 C ATOM 965 O ILE A 61 11.825 -0.208 1.437 1.00 14.60 O ATOM 966 CB ILE A 61 8.788 0.633 2.395 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.933 1.654 3.204 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.026 -0.693 2.454 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.736 2.206 2.426 1.00 11.42 C ATOM 0 H ILE A 61 10.585 2.412 2.022 1.00 11.08 H new ATOM 0 HA ILE A 61 10.077 0.329 4.044 1.00 11.78 H new ATOM 0 HB ILE A 61 8.928 0.897 1.347 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.573 1.173 4.114 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.569 2.484 3.512 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.040 -0.566 2.007 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.578 -1.455 1.904 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.916 -1.004 3.493 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.188 2.910 3.053 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.089 2.716 1.530 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.078 1.385 2.141 1.00 11.42 H new ATOM 981 N GLN A 62 11.110 -1.673 2.957 1.00 13.97 N ATOM 982 CA GLN A 62 12.182 -2.557 2.717 1.00 15.52 C ATOM 983 C GLN A 62 11.666 -3.959 2.574 1.00 13.94 C ATOM 984 O GLN A 62 10.524 -4.254 2.832 1.00 12.15 O ATOM 985 CB GLN A 62 13.236 -2.566 3.868 1.00 19.53 C ATOM 986 CG GLN A 62 12.702 -3.120 5.208 1.00 26.38 C ATOM 987 CD GLN A 62 13.821 -3.247 6.253 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.646 -2.355 6.413 1.00 33.23 O ATOM 989 NE2 GLN A 62 13.822 -4.379 7.042 1.00 32.71 N ATOM 0 H GLN A 62 10.399 -2.025 3.597 1.00 13.97 H new ATOM 0 HA GLN A 62 12.664 -2.205 1.805 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.093 -3.163 3.556 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.595 -1.549 4.025 1.00 19.53 H new ATOM 0 HG2 GLN A 62 11.921 -2.462 5.589 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.245 -4.096 5.043 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.125 -5.108 6.889 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.520 -4.487 7.778 1.00 32.71 H new ATOM 998 N LYS A 63 12.470 -4.968 2.162 1.00 11.73 N ATOM 999 CA LYS A 63 12.113 -6.386 2.184 1.00 11.97 C ATOM 1000 C LYS A 63 11.516 -6.931 3.495 1.00 10.41 C ATOM 1001 O LYS A 63 11.935 -6.734 4.629 1.00 9.59 O ATOM 1002 CB LYS A 63 13.272 -7.359 1.833 1.00 13.73 C ATOM 1003 CG LYS A 63 14.480 -7.277 2.661 1.00 16.98 C ATOM 1004 CD LYS A 63 15.744 -7.685 1.969 1.00 20.19 C ATOM 1005 CE LYS A 63 15.646 -9.040 1.273 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.894 -9.376 0.556 1.00 25.97 N ATOM 0 H LYS A 63 13.408 -4.802 1.797 1.00 11.73 H new ATOM 0 HA LYS A 63 11.347 -6.373 1.408 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.889 -8.378 1.891 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.559 -7.185 0.796 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.591 -6.253 3.016 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.344 -7.906 3.540 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.008 -6.925 1.233 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.554 -7.717 2.698 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.430 -9.813 2.010 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.813 -9.029 0.570 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.791 -10.303 0.095 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.087 -8.651 -0.164 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.684 -9.411 1.232 1.00 25.97 H new ATOM 1020 N GLU A 64 10.341 -7.634 3.343 1.00 10.04 N ATOM 1021 CA GLU A 64 9.521 -8.296 4.335 1.00 10.94 C ATOM 1022 C GLU A 64 8.739 -7.329 5.114 1.00 9.74 C ATOM 1023 O GLU A 64 8.190 -7.567 6.195 1.00 9.42 O ATOM 1024 CB GLU A 64 10.254 -9.323 5.147 1.00 18.31 C ATOM 1025 CG GLU A 64 10.862 -10.313 4.243 1.00 24.16 C ATOM 1026 CD GLU A 64 11.693 -11.398 4.920 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.358 -11.053 5.955 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.717 -12.606 4.510 1.00 31.72 O ATOM 0 H GLU A 64 9.933 -7.741 2.414 1.00 10.04 H new ATOM 0 HA GLU A 64 8.791 -8.899 3.795 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.024 -8.844 5.751 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.568 -9.816 5.836 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.068 -10.792 3.671 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.496 -9.786 3.530 1.00 24.16 H new ATOM 1035 N SER A 65 8.602 -6.050 4.617 1.00 6.85 N ATOM 1036 CA SER A 65 7.819 -5.064 5.359 1.00 6.90 C ATOM 1037 C SER A 65 6.359 -5.355 5.377 1.00 4.72 C ATOM 1038 O SER A 65 5.770 -5.566 4.313 1.00 3.91 O ATOM 1039 CB SER A 65 7.912 -3.605 4.791 1.00 7.28 C ATOM 1040 OG SER A 65 9.156 -3.029 5.132 1.00 10.56 O ATOM 0 H SER A 65 9.012 -5.715 3.745 1.00 6.85 H new ATOM 0 HA SER A 65 8.265 -5.134 6.351 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.794 -3.620 3.707 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.100 -2.998 5.191 1.00 7.28 H new ATOM 0 HG SER A 65 9.054 -2.058 5.221 1.00 10.56 H new ATOM 1046 N THR A 66 5.727 -5.306 6.549 1.00 4.48 N ATOM 1047 CA THR A 66 4.282 -5.203 6.626 1.00 3.80 C ATOM 1048 C THR A 66 3.732 -3.786 6.538 1.00 4.60 C ATOM 1049 O THR A 66 4.066 -2.941 7.366 1.00 5.33 O ATOM 1050 CB THR A 66 3.830 -5.900 7.917 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.227 -7.280 7.901 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.267 -6.000 7.842 1.00 3.40 C ATOM 0 H THR A 66 6.198 -5.336 7.453 1.00 4.48 H new ATOM 0 HA THR A 66 3.871 -5.693 5.744 1.00 3.80 H new ATOM 0 HB THR A 66 4.235 -5.358 8.772 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.935 -7.714 8.730 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.890 -6.490 8.740 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.841 -4.999 7.769 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.981 -6.580 6.965 1.00 3.40 H new ATOM 1060 N LEU A 67 2.830 -3.463 5.591 1.00 4.17 N ATOM 1061 CA LEU A 67 2.186 -2.151 5.398 1.00 3.85 C ATOM 1062 C LEU A 67 0.775 -2.408 5.860 1.00 3.80 C ATOM 1063 O LEU A 67 0.141 -3.394 5.538 1.00 5.54 O ATOM 1064 CB LEU A 67 2.127 -1.616 3.914 1.00 7.18 C ATOM 1065 CG LEU A 67 3.461 -0.944 3.415 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.646 -1.904 3.577 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.223 -0.381 2.017 1.00 11.66 C ATOM 0 H LEU A 67 2.515 -4.148 4.904 1.00 4.17 H new ATOM 0 HA LEU A 67 2.754 -1.388 5.930 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.881 -2.445 3.251 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.316 -0.892 3.833 1.00 7.18 H new ATOM 0 HG LEU A 67 3.748 -0.092 4.031 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.557 -1.420 3.226 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.758 -2.170 4.628 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.466 -2.806 2.992 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.137 0.089 1.654 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.938 -1.189 1.343 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.424 0.359 2.054 1.00 11.66 H new ATOM 1079 N HIS A 68 0.197 -1.438 6.628 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.198 -1.536 7.001 1.00 4.17 C ATOM 1081 C HIS A 68 -2.177 -1.121 5.948 1.00 5.32 C ATOM 1082 O HIS A 68 -2.050 -0.018 5.428 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.627 -0.953 8.407 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.553 -2.012 9.488 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -2.193 -3.242 9.395 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.731 -2.107 10.546 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.782 -3.968 10.438 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.923 -3.291 11.176 1.00 16.30 N ATOM 0 H HIS A 68 0.681 -0.612 6.979 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.256 -2.619 7.111 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.979 -0.117 8.669 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.643 -0.562 8.347 1.00 5.57 H new ATOM 0 HD1 HIS A 68 -2.849 -3.534 8.671 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.022 -1.351 10.850 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -2.109 -4.975 10.649 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.219 -1.888 5.634 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.260 -1.440 4.650 1.00 3.97 C ATOM 1098 C LEU A 69 -5.508 -1.052 5.420 1.00 5.07 C ATOM 1099 O LEU A 69 -6.051 -1.847 6.159 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.516 -2.546 3.536 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.595 -2.299 2.507 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.661 -0.993 1.778 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.676 -3.372 1.440 1.00 9.96 C ATOM 0 H LEU A 69 -3.384 -2.814 6.029 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.916 -0.564 4.101 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.579 -2.701 3.002 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.752 -3.481 4.045 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.435 -2.300 3.202 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.501 -1.006 1.083 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.796 -0.183 2.495 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.735 -0.838 1.225 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.472 -3.127 0.737 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.727 -3.428 0.907 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.887 -4.334 1.907 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.000 0.215 5.197 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.247 0.688 5.702 1.00 6.26 C ATOM 1117 C VAL A 70 -8.089 1.064 4.513 1.00 9.22 C ATOM 1118 O VAL A 70 -7.580 1.622 3.479 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.089 1.749 6.791 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.567 1.197 8.174 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.345 2.917 6.297 1.00 8.54 C ATOM 0 H VAL A 70 -5.498 0.912 4.647 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.778 -0.090 6.251 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.096 2.092 7.027 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.485 2.018 8.886 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.266 0.453 8.556 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.588 0.737 8.036 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.250 3.653 7.096 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.353 2.605 5.971 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.880 3.360 5.457 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.397 0.684 4.521 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.270 1.003 3.438 1.00 16.06 C ATOM 1133 C LEU A 71 -10.754 2.435 3.564 1.00 18.09 C ATOM 1134 O LEU A 71 -10.856 3.099 4.630 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.469 -0.010 3.464 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.129 -1.478 3.151 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.388 -2.388 3.325 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.561 -1.575 1.728 1.00 19.57 C ATOM 0 H LEU A 71 -9.835 0.160 5.278 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.747 0.919 2.485 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.930 0.031 4.451 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.218 0.328 2.748 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.375 -1.832 3.854 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.124 -3.421 3.099 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.746 -2.322 4.352 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.173 -2.057 2.645 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.319 -2.614 1.503 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.301 -1.212 1.015 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.659 -0.968 1.654 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.119 2.996 2.453 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.590 4.317 2.249 1.00 25.83 C ATOM 1152 C ARG A 72 -12.845 4.153 1.401 1.00 27.74 C ATOM 1153 O ARG A 72 -13.011 4.829 0.390 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.509 5.305 1.574 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.979 6.705 1.997 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.382 7.934 1.195 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.848 9.210 1.852 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.612 10.398 1.267 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.904 10.571 0.117 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.017 11.498 1.902 1.00 35.02 N ATOM 0 H ARG A 72 -11.088 2.476 1.576 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.795 4.806 3.201 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.500 5.097 1.930 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.493 5.199 0.489 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.065 6.739 1.911 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.739 6.839 3.052 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.293 7.888 1.188 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.709 7.902 0.156 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.344 9.172 2.743 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.508 9.764 -0.365 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.769 11.508 -0.263 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.490 11.422 2.803 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.854 12.415 1.487 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.771 3.257 1.872 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.068 3.044 1.204 1.00 30.76 C ATOM 1176 C LEU A 73 -15.861 4.336 1.195 1.00 32.18 C ATOM 1177 O LEU A 73 -15.849 5.125 2.193 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.930 1.947 1.885 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.136 0.656 2.066 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.961 -0.438 2.635 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -14.584 0.181 0.670 1.00 29.11 C ATOM 0 H LEU A 73 -13.631 2.684 2.704 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.841 2.712 0.191 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.277 2.303 2.855 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.817 1.751 1.282 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.325 0.872 2.761 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.351 -1.335 2.744 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.342 -0.137 3.611 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.797 -0.647 1.968 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -14.017 -0.741 0.798 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -15.418 0.003 -0.009 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -13.935 0.952 0.254 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.595 4.654 0.114 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.118 5.930 -0.098 1.00 35.33 C ATOM 1195 C ARG A 74 -18.242 6.286 0.921 1.00 36.22 C ATOM 1196 O ARG A 74 -18.551 7.458 1.152 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.654 6.068 -1.532 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.569 5.713 -2.560 1.00 38.62 C ATOM 1199 CD ARG A 74 -15.365 6.713 -2.536 1.00 39.75 C ATOM 1200 NE ARG A 74 -14.744 6.532 -3.868 1.00 41.13 N ATOM 1201 CZ ARG A 74 -13.652 7.244 -4.246 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -12.907 7.950 -3.395 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -13.300 7.183 -5.512 1.00 41.93 N ATOM 0 H ARG A 74 -16.821 3.988 -0.625 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.299 6.633 0.052 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.516 5.414 -1.667 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.999 7.089 -1.699 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.203 4.705 -2.363 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.008 5.703 -3.557 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -15.698 7.740 -2.384 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -14.666 6.482 -1.732 1.00 39.75 H new ATOM 0 HE ARG A 74 -15.147 5.856 -4.517 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -13.148 7.973 -2.404 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -12.096 8.467 -3.735 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -13.841 6.617 -6.165 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -12.486 7.702 -5.841 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.863 5.285 1.531 1.00 36.31 N ATOM 1218 CA GLY A 75 -19.926 5.592 2.539 1.00 36.07 C ATOM 1219 C GLY A 75 -19.437 5.663 3.961 1.00 36.16 C ATOM 1220 O GLY A 75 -20.152 5.941 4.878 1.00 36.26 O ATOM 0 H GLY A 75 -18.679 4.294 1.373 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -20.390 6.544 2.280 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -20.702 4.830 2.473 1.00 36.07 H new ATOM 1224 N GLY A 76 -18.108 5.403 4.253 1.00 36.05 N ATOM 1225 CA GLY A 76 -17.519 5.172 5.578 1.00 36.19 C ATOM 1226 C GLY A 76 -16.115 5.818 5.753 1.00 36.20 C ATOM 1227 O GLY A 76 -15.120 5.090 5.538 1.00 0.00 O ATOM 1228 OXT GLY A 76 -15.978 7.064 5.944 1.00 0.00 O ATOM 0 H GLY A 76 -17.407 5.352 3.514 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -18.190 5.569 6.340 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -17.440 4.099 5.750 1.00 36.19 H new TER 1232 GLY A 76