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 22 THR OG1 : rot 180:sc= 0.632 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.692 K(o=1.3,f=0) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -148:sc= 1.66 (180deg=0.00474) USER MOD Set 2.2: A 12 THR OG1 : rot 100:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 156:sc= -0.102 (180deg=-0.604) USER MOD Single : A 1 MET N :NH3+ -152:sc= 2.35 (180deg=2.23) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.065) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.093 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 155:sc= 1.04 (180deg=0.105!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0291 USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 1.19 (180deg=1.14) USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0302) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -139:sc= 0.133 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 41 GLN : amide:sc= 0.507 K(o=0.51,f=-1.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.424 K(o=-0.42,f=-1.3) USER MOD Single : A 55 THR OG1 : rot -53:sc= 1.12 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 15:sc= -0.0424 USER MOD Single : A 60 ASN : amide:sc=-0.000115 X(o=-0.00011,f=-0.49) USER MOD Single : A 62 GLN : amide:sc= -0.335 X(o=-0.34,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 170:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0725 USER MOD Single : A 68 HIS : no HD1:sc= -0.0736 X(o=-0.074,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.215 -7.461 -5.433 1.00 9.67 N ATOM 2 CA MET A 1 11.327 -7.518 -3.973 1.00 10.38 C ATOM 3 C MET A 1 9.986 -7.870 -3.337 1.00 9.62 C ATOM 4 O MET A 1 8.986 -7.262 -3.692 1.00 9.62 O ATOM 5 CB MET A 1 11.900 -6.209 -3.451 1.00 13.77 C ATOM 6 CG MET A 1 12.421 -6.187 -2.033 1.00 16.29 C ATOM 7 SD MET A 1 12.951 -4.455 -1.655 1.00 17.17 S ATOM 8 CE MET A 1 11.347 -3.659 -1.469 1.00 16.11 C ATOM 0 H1 MET A 1 12.134 -7.694 -5.861 1.00 9.67 H new ATOM 0 H2 MET A 1 10.500 -8.145 -5.753 1.00 9.67 H new ATOM 0 H3 MET A 1 10.931 -6.503 -5.722 1.00 9.67 H new ATOM 0 HA MET A 1 12.016 -8.314 -3.692 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.714 -5.912 -4.112 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.126 -5.446 -3.536 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.648 -6.511 -1.336 1.00 16.29 H new ATOM 0 HG3 MET A 1 13.258 -6.876 -1.923 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.452 -2.771 -0.846 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.967 -3.372 -2.450 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.649 -4.352 -0.999 1.00 16.11 H new ATOM 20 N GLN A 2 9.927 -8.772 -2.390 1.00 9.27 N ATOM 21 CA GLN A 2 8.714 -9.127 -1.635 1.00 9.07 C ATOM 22 C GLN A 2 8.288 -8.245 -0.504 1.00 8.72 C ATOM 23 O GLN A 2 9.048 -7.818 0.362 1.00 8.22 O ATOM 24 CB GLN A 2 8.875 -10.584 -1.103 1.00 14.46 C ATOM 25 CG GLN A 2 7.556 -11.108 -0.434 1.00 17.01 C ATOM 26 CD GLN A 2 7.474 -12.639 -0.437 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.555 -13.268 0.596 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.285 -13.271 -1.585 1.00 19.49 N ATOM 0 H GLN A 2 10.744 -9.309 -2.100 1.00 9.27 H new ATOM 0 HA GLN A 2 7.913 -8.998 -2.363 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.152 -11.243 -1.926 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.689 -10.619 -0.379 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.502 -10.745 0.592 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.695 -10.699 -0.963 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.217 -12.741 -2.454 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.207 -14.288 -1.601 1.00 19.49 H new ATOM 37 N ILE A 3 6.979 -7.905 -0.351 1.00 5.87 N ATOM 38 CA ILE A 3 6.420 -7.092 0.730 1.00 5.07 C ATOM 39 C ILE A 3 5.054 -7.725 1.108 1.00 4.01 C ATOM 40 O ILE A 3 4.390 -8.456 0.336 1.00 4.61 O ATOM 41 CB ILE A 3 6.258 -5.608 0.583 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.211 -5.139 -0.473 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.678 -5.049 0.316 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.104 -3.618 -0.640 1.00 10.83 C ATOM 0 H ILE A 3 6.266 -8.210 -1.014 1.00 5.87 H new ATOM 0 HA ILE A 3 7.199 -7.125 1.492 1.00 5.07 H new ATOM 0 HB ILE A 3 5.827 -5.208 1.501 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.466 -5.579 -1.437 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.233 -5.529 -0.193 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.627 -3.966 0.199 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.329 -5.293 1.156 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.079 -5.494 -0.595 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.352 -3.387 -1.394 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.816 -3.167 0.310 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.068 -3.218 -0.954 1.00 10.83 H new ATOM 56 N PHE A 4 4.621 -7.343 2.327 1.00 4.55 N ATOM 57 CA PHE A 4 3.389 -7.769 2.898 1.00 4.68 C ATOM 58 C PHE A 4 2.449 -6.656 3.238 1.00 5.30 C ATOM 59 O PHE A 4 2.873 -5.538 3.519 1.00 5.58 O ATOM 60 CB PHE A 4 3.602 -8.599 4.282 1.00 4.83 C ATOM 61 CG PHE A 4 4.449 -9.776 4.111 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.883 -10.874 3.429 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.831 -9.774 4.355 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.643 -12.000 3.107 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.640 -10.852 3.883 1.00 10.61 C ATOM 66 CZ PHE A 4 6.047 -12.021 3.362 1.00 8.90 C ATOM 0 H PHE A 4 5.152 -6.716 2.931 1.00 4.55 H new ATOM 0 HA PHE A 4 2.961 -8.390 2.111 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.047 -7.942 5.029 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.631 -8.909 4.668 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.840 -10.843 3.150 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.282 -8.958 4.899 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.165 -12.861 2.662 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.716 -10.771 3.925 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.637 -12.904 3.162 1.00 8.90 H new ATOM 76 N VAL A 5 1.159 -6.763 3.016 1.00 4.44 N ATOM 77 CA VAL A 5 0.221 -5.641 3.355 1.00 3.87 C ATOM 78 C VAL A 5 -0.914 -6.350 4.169 1.00 4.93 C ATOM 79 O VAL A 5 -1.254 -7.513 3.969 1.00 6.84 O ATOM 80 CB VAL A 5 -0.309 -4.933 2.123 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.327 -3.846 2.560 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.834 -4.409 1.201 1.00 9.13 C ATOM 0 H VAL A 5 0.712 -7.586 2.611 1.00 4.44 H new ATOM 0 HA VAL A 5 0.709 -4.845 3.918 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.843 -5.646 1.494 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.712 -3.333 1.679 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.152 -4.315 3.096 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.833 -3.126 3.212 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.402 -3.910 0.333 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.453 -3.703 1.754 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.447 -5.247 0.870 1.00 9.13 H new ATOM 92 N LYS A 6 -1.428 -5.654 5.246 1.00 6.04 N ATOM 93 CA LYS A 6 -2.411 -6.224 6.112 1.00 6.12 C ATOM 94 C LYS A 6 -3.722 -5.603 5.723 1.00 6.57 C ATOM 95 O LYS A 6 -3.885 -4.395 5.777 1.00 5.76 O ATOM 96 CB LYS A 6 -2.120 -6.081 7.643 1.00 7.45 C ATOM 97 CG LYS A 6 -0.883 -6.824 8.074 1.00 11.12 C ATOM 98 CD LYS A 6 -0.863 -8.391 8.099 1.00 14.54 C ATOM 99 CE LYS A 6 -2.087 -9.045 8.854 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.989 -10.495 9.025 1.00 20.55 N ATOM 0 H LYS A 6 -1.149 -4.705 5.495 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.412 -7.306 5.977 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -2.009 -5.025 7.890 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.976 -6.452 8.207 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.071 -6.503 7.421 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.637 -6.483 9.080 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.845 -8.759 7.073 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.061 -8.723 8.573 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.182 -8.582 9.836 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.000 -8.817 8.305 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.941 -10.912 9.004 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.417 -10.898 8.255 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.538 -10.707 9.938 1.00 20.55 H new ATOM 114 N THR A 7 -4.764 -6.452 5.476 1.00 7.41 N ATOM 115 CA THR A 7 -6.124 -5.890 5.532 1.00 7.48 C ATOM 116 C THR A 7 -6.614 -5.647 6.952 1.00 8.75 C ATOM 117 O THR A 7 -6.066 -6.118 7.934 1.00 8.58 O ATOM 118 CB THR A 7 -7.203 -6.685 4.806 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.602 -7.858 5.487 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.611 -7.249 3.499 1.00 9.17 C ATOM 0 H THR A 7 -4.692 -7.445 5.255 1.00 7.41 H new ATOM 0 HA THR A 7 -5.989 -4.948 5.001 1.00 7.48 H new ATOM 0 HB THR A 7 -8.036 -5.991 4.693 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.295 -8.317 4.969 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.374 -7.820 2.971 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.272 -6.427 2.869 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.768 -7.899 3.732 1.00 9.17 H new ATOM 128 N LEU A 8 -7.757 -4.915 7.103 1.00 9.84 N ATOM 129 CA LEU A 8 -8.448 -4.583 8.334 1.00 14.15 C ATOM 130 C LEU A 8 -8.935 -5.765 9.121 1.00 17.37 C ATOM 131 O LEU A 8 -8.816 -5.832 10.309 1.00 17.01 O ATOM 132 CB LEU A 8 -9.684 -3.715 7.932 1.00 16.63 C ATOM 133 CG LEU A 8 -10.532 -3.085 9.003 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.688 -3.986 9.586 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.793 -2.342 10.138 1.00 18.59 C ATOM 0 H LEU A 8 -8.235 -4.524 6.291 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.737 -4.070 8.982 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.323 -2.913 7.288 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.338 -4.341 7.325 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.005 -2.307 8.403 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -12.233 -3.430 10.349 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -12.371 -4.266 8.784 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.260 -4.886 10.028 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.520 -1.936 10.841 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.134 -3.036 10.658 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -9.203 -1.528 9.716 1.00 18.59 H new ATOM 147 N THR A 9 -9.463 -6.763 8.448 1.00 18.33 N ATOM 148 CA THR A 9 -9.885 -7.999 9.094 1.00 19.24 C ATOM 149 C THR A 9 -8.752 -9.085 9.031 1.00 19.48 C ATOM 150 O THR A 9 -8.970 -10.283 9.369 1.00 23.14 O ATOM 151 CB THR A 9 -11.162 -8.598 8.514 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.024 -8.840 7.138 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.297 -7.584 8.536 1.00 19.70 C ATOM 0 H THR A 9 -9.614 -6.747 7.439 1.00 18.33 H new ATOM 0 HA THR A 9 -10.093 -7.717 10.126 1.00 19.24 H new ATOM 0 HB THR A 9 -11.354 -9.493 9.105 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.855 -9.226 6.789 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.196 -8.035 8.117 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.490 -7.276 9.564 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.018 -6.713 7.943 1.00 19.70 H new ATOM 161 N GLY A 10 -7.538 -8.635 8.697 1.00 19.43 N ATOM 162 CA GLY A 10 -6.354 -9.435 9.106 1.00 18.74 C ATOM 163 C GLY A 10 -5.820 -10.384 8.055 1.00 17.62 C ATOM 164 O GLY A 10 -4.832 -11.074 8.297 1.00 19.74 O ATOM 0 H GLY A 10 -7.342 -7.779 8.178 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.556 -8.751 9.393 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.615 -10.011 9.994 1.00 18.74 H new ATOM 168 N LYS A 11 -6.355 -10.330 6.805 1.00 13.56 N ATOM 169 CA LYS A 11 -5.804 -11.096 5.678 1.00 11.91 C ATOM 170 C LYS A 11 -4.461 -10.533 5.297 1.00 10.18 C ATOM 171 O LYS A 11 -4.365 -9.347 5.199 1.00 9.10 O ATOM 172 CB LYS A 11 -6.693 -11.193 4.407 1.00 13.43 C ATOM 173 CG LYS A 11 -6.122 -11.886 3.216 1.00 16.69 C ATOM 174 CD LYS A 11 -7.095 -12.079 2.111 1.00 17.92 C ATOM 175 CE LYS A 11 -6.613 -12.824 0.836 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.579 -12.758 -0.283 1.00 21.93 N ATOM 0 H LYS A 11 -7.167 -9.761 6.563 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.737 -12.118 6.051 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.617 -11.702 4.681 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.964 -10.180 4.109 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.274 -11.311 2.844 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.737 -12.859 3.523 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.951 -12.622 2.511 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.455 -11.096 1.807 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.663 -12.398 0.512 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.426 -13.869 1.084 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.074 -12.876 -1.185 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.283 -13.516 -0.179 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.059 -11.835 -0.273 1.00 21.93 H new ATOM 190 N THR A 12 -3.423 -11.364 5.052 1.00 9.63 N ATOM 191 CA THR A 12 -2.132 -10.820 4.593 1.00 9.85 C ATOM 192 C THR A 12 -2.093 -11.044 3.127 1.00 11.66 C ATOM 193 O THR A 12 -2.255 -12.173 2.665 1.00 12.33 O ATOM 194 CB THR A 12 -0.927 -11.458 5.242 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.009 -11.408 6.639 1.00 10.91 O ATOM 196 CG2 THR A 12 0.327 -10.741 4.888 1.00 9.63 C ATOM 0 H THR A 12 -3.452 -12.378 5.160 1.00 9.63 H new ATOM 0 HA THR A 12 -2.075 -9.767 4.869 1.00 9.85 H new ATOM 0 HB THR A 12 -0.912 -12.486 4.881 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.316 -12.274 6.980 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.174 -11.228 5.373 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.466 -10.763 3.807 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.262 -9.706 5.225 1.00 9.63 H new ATOM 204 N ILE A 13 -1.846 -9.998 2.386 1.00 10.42 N ATOM 205 CA ILE A 13 -1.590 -10.183 0.958 1.00 11.84 C ATOM 206 C ILE A 13 -0.129 -9.872 0.638 1.00 10.55 C ATOM 207 O ILE A 13 0.417 -8.945 1.227 1.00 11.92 O ATOM 208 CB ILE A 13 -2.463 -9.381 0.030 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.394 -7.839 0.064 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.950 -9.803 0.241 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.373 -7.047 -0.832 1.00 16.46 C ATOM 0 H ILE A 13 -1.814 -9.034 2.719 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.834 -11.229 0.775 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.048 -9.628 -0.947 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.553 -7.521 1.094 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.380 -7.544 -0.208 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.590 -9.227 -0.427 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -4.061 -10.865 0.024 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.239 -9.612 1.274 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.204 -5.978 -0.699 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.208 -7.314 -1.876 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.399 -7.290 -0.553 1.00 16.46 H new ATOM 223 N THR A 14 0.523 -10.694 -0.203 1.00 9.39 N ATOM 224 CA THR A 14 1.973 -10.759 -0.456 1.00 9.63 C ATOM 225 C THR A 14 2.245 -10.218 -1.865 1.00 11.20 C ATOM 226 O THR A 14 1.683 -10.704 -2.854 1.00 11.63 O ATOM 227 CB THR A 14 2.448 -12.197 -0.571 1.00 10.38 C ATOM 228 OG1 THR A 14 2.194 -12.874 0.679 1.00 16.30 O ATOM 229 CG2 THR A 14 3.947 -12.242 -0.865 1.00 11.66 C ATOM 0 H THR A 14 0.015 -11.378 -0.763 1.00 9.39 H new ATOM 0 HA THR A 14 2.460 -10.217 0.355 1.00 9.63 H new ATOM 0 HB THR A 14 1.913 -12.685 -1.386 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.496 -13.804 0.615 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.271 -13.280 -0.944 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.149 -11.726 -1.803 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.491 -11.753 -0.057 1.00 11.66 H new ATOM 237 N LEU A 15 3.127 -9.182 -1.965 1.00 8.29 N ATOM 238 CA LEU A 15 3.164 -8.456 -3.196 1.00 9.03 C ATOM 239 C LEU A 15 4.569 -8.607 -3.723 1.00 8.59 C ATOM 240 O LEU A 15 5.481 -8.891 -2.949 1.00 7.79 O ATOM 241 CB LEU A 15 2.759 -6.959 -2.951 1.00 11.08 C ATOM 242 CG LEU A 15 1.360 -6.782 -2.350 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.085 -5.315 -1.893 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.206 -7.124 -3.280 1.00 15.27 C ATOM 0 H LEU A 15 3.771 -8.871 -1.238 1.00 8.29 H new ATOM 0 HA LEU A 15 2.453 -8.836 -3.929 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.490 -6.500 -2.285 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.807 -6.421 -3.898 1.00 11.08 H new ATOM 0 HG LEU A 15 1.386 -7.485 -1.517 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.081 -5.246 -1.475 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.814 -5.027 -1.135 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.169 -4.646 -2.749 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.739 -6.966 -2.761 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.247 -6.484 -4.162 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.282 -8.168 -3.585 1.00 15.27 H new ATOM 256 N GLU A 16 4.710 -8.323 -5.048 1.00 11.04 N ATOM 257 CA GLU A 16 6.024 -8.291 -5.626 1.00 11.50 C ATOM 258 C GLU A 16 6.213 -6.936 -6.218 1.00 10.13 C ATOM 259 O GLU A 16 5.514 -6.448 -7.147 1.00 9.83 O ATOM 260 CB GLU A 16 6.230 -9.291 -6.809 1.00 17.22 C ATOM 261 CG GLU A 16 7.633 -9.479 -7.394 1.00 23.33 C ATOM 262 CD GLU A 16 8.661 -10.093 -6.433 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.358 -11.075 -5.790 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.829 -9.589 -6.280 1.00 28.86 O ATOM 0 H GLU A 16 3.943 -8.124 -5.690 1.00 11.04 H new ATOM 0 HA GLU A 16 6.720 -8.553 -4.829 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.880 -10.268 -6.477 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.575 -8.977 -7.622 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.560 -10.114 -8.277 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.004 -8.510 -7.728 1.00 23.33 H new ATOM 271 N VAL A 17 7.183 -6.222 -5.677 1.00 8.99 N ATOM 272 CA VAL A 17 7.359 -4.826 -5.971 1.00 8.85 C ATOM 273 C VAL A 17 8.902 -4.610 -6.324 1.00 8.04 C ATOM 274 O VAL A 17 9.744 -5.499 -6.368 1.00 8.99 O ATOM 275 CB VAL A 17 6.970 -3.942 -4.743 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.488 -3.931 -4.558 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.839 -4.356 -3.484 1.00 10.54 C ATOM 0 H VAL A 17 7.867 -6.601 -5.022 1.00 8.99 H new ATOM 0 HA VAL A 17 6.717 -4.534 -6.802 1.00 8.85 H new ATOM 0 HB VAL A 17 7.219 -2.894 -4.912 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.233 -3.311 -3.699 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.013 -3.526 -5.451 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.135 -4.948 -4.389 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.563 -3.736 -2.631 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.657 -5.404 -3.245 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.896 -4.214 -3.709 1.00 10.54 H new ATOM 287 N GLU A 18 9.238 -3.343 -6.600 1.00 7.29 N ATOM 288 CA GLU A 18 10.529 -2.805 -6.608 1.00 7.08 C ATOM 289 C GLU A 18 10.692 -1.608 -5.646 1.00 6.45 C ATOM 290 O GLU A 18 9.682 -0.870 -5.522 1.00 5.28 O ATOM 291 CB GLU A 18 11.018 -2.179 -8.034 1.00 10.28 C ATOM 292 CG GLU A 18 11.222 -3.097 -9.251 1.00 12.65 C ATOM 293 CD GLU A 18 12.516 -3.743 -9.272 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.559 -3.096 -9.597 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.597 -4.990 -9.017 1.00 14.33 O ATOM 0 H GLU A 18 8.532 -2.646 -6.837 1.00 7.29 H new ATOM 0 HA GLU A 18 11.115 -3.681 -6.331 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.291 -1.419 -8.320 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.962 -1.665 -7.855 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.443 -3.860 -9.256 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.101 -2.512 -10.163 1.00 12.65 H new ATOM 302 N PRO A 19 11.818 -1.279 -4.949 1.00 7.24 N ATOM 303 CA PRO A 19 11.833 -0.187 -4.011 1.00 7.07 C ATOM 304 C PRO A 19 11.763 1.251 -4.640 1.00 6.65 C ATOM 305 O PRO A 19 11.508 2.241 -3.988 1.00 6.37 O ATOM 306 CB PRO A 19 13.152 -0.366 -3.270 1.00 7.61 C ATOM 307 CG PRO A 19 14.081 -0.999 -4.306 1.00 8.16 C ATOM 308 CD PRO A 19 13.087 -1.902 -5.079 1.00 7.49 C ATOM 0 HA PRO A 19 10.940 -0.230 -3.388 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.542 0.588 -2.915 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.034 -1.007 -2.396 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.549 -0.255 -4.950 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.885 -1.572 -3.844 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.373 -1.991 -6.127 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.072 -2.910 -4.666 1.00 7.49 H new ATOM 316 N SER A 20 11.869 1.296 -6.005 1.00 6.80 N ATOM 317 CA SER A 20 11.686 2.468 -6.778 1.00 6.28 C ATOM 318 C SER A 20 10.258 2.659 -7.251 1.00 8.45 C ATOM 319 O SER A 20 9.888 3.648 -7.886 1.00 7.26 O ATOM 320 CB SER A 20 12.470 2.328 -8.091 1.00 8.57 C ATOM 321 OG SER A 20 12.147 1.062 -8.745 1.00 11.13 O ATOM 0 H SER A 20 12.091 0.474 -6.567 1.00 6.80 H new ATOM 0 HA SER A 20 11.999 3.290 -6.134 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.231 3.159 -8.755 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.540 2.378 -7.890 1.00 8.57 H new ATOM 0 HG SER A 20 12.653 0.987 -9.581 1.00 11.13 H new ATOM 327 N ASP A 21 9.361 1.704 -6.928 1.00 7.50 N ATOM 328 CA ASP A 21 7.913 1.827 -7.164 1.00 7.70 C ATOM 329 C ASP A 21 7.228 2.943 -6.334 1.00 7.08 C ATOM 330 O ASP A 21 7.246 3.014 -5.097 1.00 8.11 O ATOM 331 CB ASP A 21 7.179 0.463 -6.984 1.00 11.00 C ATOM 332 CG ASP A 21 7.269 -0.544 -8.143 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.732 -0.280 -9.251 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.851 -1.713 -7.847 1.00 18.03 O ATOM 0 H ASP A 21 9.626 0.820 -6.493 1.00 7.50 H new ATOM 0 HA ASP A 21 7.822 2.133 -8.206 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.574 -0.017 -6.089 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.125 0.669 -6.797 1.00 11.00 H new ATOM 339 N THR A 22 6.426 3.729 -7.001 1.00 5.37 N ATOM 340 CA THR A 22 5.499 4.614 -6.321 1.00 6.01 C ATOM 341 C THR A 22 4.366 3.913 -5.653 1.00 8.01 C ATOM 342 O THR A 22 3.909 2.832 -6.051 1.00 8.11 O ATOM 343 CB THR A 22 4.845 5.607 -7.307 1.00 8.92 C ATOM 344 OG1 THR A 22 4.125 4.957 -8.358 1.00 10.22 O ATOM 345 CG2 THR A 22 5.955 6.492 -7.983 1.00 9.65 C ATOM 0 H THR A 22 6.391 3.780 -8.019 1.00 5.37 H new ATOM 0 HA THR A 22 6.117 5.111 -5.573 1.00 6.01 H new ATOM 0 HB THR A 22 4.147 6.203 -6.720 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.731 5.631 -8.950 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.490 7.191 -8.678 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.495 7.048 -7.216 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.651 5.852 -8.524 1.00 9.65 H new ATOM 353 N ILE A 23 3.660 4.578 -4.674 1.00 8.32 N ATOM 354 CA ILE A 23 2.561 3.998 -3.857 1.00 9.92 C ATOM 355 C ILE A 23 1.247 3.869 -4.662 1.00 10.01 C ATOM 356 O ILE A 23 0.430 3.038 -4.367 1.00 8.71 O ATOM 357 CB ILE A 23 2.204 4.836 -2.576 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.395 5.138 -1.727 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.132 4.193 -1.732 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.192 3.931 -1.141 1.00 12.30 C ATOM 0 H ILE A 23 3.853 5.551 -4.436 1.00 8.32 H new ATOM 0 HA ILE A 23 2.953 3.025 -3.561 1.00 9.92 H new ATOM 0 HB ILE A 23 1.814 5.777 -2.965 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.085 5.740 -2.319 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.065 5.758 -0.894 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.929 4.818 -0.863 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.221 4.085 -2.321 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.469 3.211 -1.402 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.028 4.301 -0.547 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.535 3.333 -0.510 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.571 3.315 -1.956 1.00 12.30 H new ATOM 372 N GLU A 24 1.105 4.672 -5.735 1.00 9.54 N ATOM 373 CA GLU A 24 0.106 4.425 -6.749 1.00 11.81 C ATOM 374 C GLU A 24 0.232 3.057 -7.429 1.00 11.14 C ATOM 375 O GLU A 24 -0.755 2.332 -7.556 1.00 10.62 O ATOM 376 CB GLU A 24 0.221 5.485 -7.887 1.00 19.24 C ATOM 377 CG GLU A 24 -0.847 5.312 -8.946 1.00 27.76 C ATOM 378 CD GLU A 24 -1.018 6.498 -9.872 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.531 7.578 -9.407 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.571 6.383 -11.041 1.00 34.80 O ATOM 0 H GLU A 24 1.681 5.496 -5.906 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.846 4.472 -6.220 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.145 6.484 -7.458 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.205 5.411 -8.351 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.607 4.433 -9.544 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.799 5.113 -8.454 1.00 27.76 H new ATOM 387 N ASN A 25 1.436 2.696 -7.887 1.00 9.43 N ATOM 388 CA ASN A 25 1.656 1.335 -8.437 1.00 10.96 C ATOM 389 C ASN A 25 1.462 0.296 -7.363 1.00 9.68 C ATOM 390 O ASN A 25 0.907 -0.743 -7.664 1.00 9.33 O ATOM 391 CB ASN A 25 3.122 1.151 -8.971 1.00 16.78 C ATOM 392 CG ASN A 25 3.192 1.790 -10.384 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.786 1.141 -11.344 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.738 2.996 -10.440 1.00 24.70 N ATOM 0 H ASN A 25 2.257 3.301 -7.893 1.00 9.43 H new ATOM 0 HA ASN A 25 0.939 1.215 -9.249 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.836 1.628 -8.300 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.383 0.094 -9.016 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.850 3.464 -11.339 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.046 3.457 -9.584 1.00 24.70 H new ATOM 401 N VAL A 26 1.858 0.577 -6.074 1.00 6.52 N ATOM 402 CA VAL A 26 1.570 -0.443 -5.052 1.00 5.53 C ATOM 403 C VAL A 26 0.108 -0.680 -4.923 1.00 4.42 C ATOM 404 O VAL A 26 -0.344 -1.823 -4.842 1.00 3.40 O ATOM 405 CB VAL A 26 2.237 -0.143 -3.684 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.012 -1.265 -2.680 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.716 0.034 -3.998 1.00 8.12 C ATOM 0 H VAL A 26 2.332 1.423 -5.757 1.00 6.52 H new ATOM 0 HA VAL A 26 2.026 -1.369 -5.402 1.00 5.53 H new ATOM 0 HB VAL A 26 1.808 0.744 -3.217 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.496 -1.012 -1.737 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.943 -1.396 -2.515 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.436 -2.191 -3.068 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.260 0.250 -3.078 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.105 -0.881 -4.443 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.843 0.860 -4.697 1.00 8.12 H new ATOM 417 N LYS A 27 -0.683 0.385 -4.881 1.00 2.64 N ATOM 418 CA LYS A 27 -2.174 0.296 -4.845 1.00 4.14 C ATOM 419 C LYS A 27 -2.936 -0.337 -6.046 1.00 5.58 C ATOM 420 O LYS A 27 -3.989 -0.975 -5.891 1.00 4.11 O ATOM 421 CB LYS A 27 -2.758 1.679 -4.481 1.00 3.97 C ATOM 422 CG LYS A 27 -2.334 2.232 -3.101 1.00 7.45 C ATOM 423 CD LYS A 27 -3.142 3.518 -2.749 1.00 9.02 C ATOM 424 CE LYS A 27 -2.954 4.589 -3.786 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.425 5.870 -3.298 1.00 15.47 N ATOM 0 H LYS A 27 -0.330 1.342 -4.870 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.353 -0.456 -4.077 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.460 2.394 -5.248 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.846 1.615 -4.510 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.496 1.474 -2.335 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.267 2.457 -3.106 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.201 3.272 -2.666 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.825 3.893 -1.776 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.899 4.662 -4.052 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.494 4.320 -4.694 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.379 6.572 -4.064 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.408 5.777 -2.972 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -2.826 6.182 -2.507 1.00 15.47 H new ATOM 439 N ALA A 28 -2.302 -0.390 -7.261 1.00 6.61 N ATOM 440 CA ALA A 28 -2.706 -1.242 -8.381 1.00 7.74 C ATOM 441 C ALA A 28 -2.443 -2.673 -8.289 1.00 9.17 C ATOM 442 O ALA A 28 -3.236 -3.557 -8.669 1.00 11.45 O ATOM 443 CB ALA A 28 -2.052 -0.630 -9.647 1.00 7.68 C ATOM 0 H ALA A 28 -1.482 0.178 -7.472 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.796 -1.236 -8.396 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.319 -1.227 -10.519 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.408 0.391 -9.783 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.968 -0.624 -9.530 1.00 7.68 H new ATOM 449 N LYS A 29 -1.355 -2.999 -7.648 1.00 8.96 N ATOM 450 CA LYS A 29 -0.982 -4.382 -7.313 1.00 7.90 C ATOM 451 C LYS A 29 -1.911 -5.016 -6.323 1.00 6.92 C ATOM 452 O LYS A 29 -2.231 -6.165 -6.445 1.00 6.87 O ATOM 453 CB LYS A 29 0.450 -4.465 -6.846 1.00 10.28 C ATOM 454 CG LYS A 29 1.435 -4.136 -7.955 1.00 14.94 C ATOM 455 CD LYS A 29 2.940 -4.197 -7.521 1.00 19.69 C ATOM 456 CE LYS A 29 3.835 -3.697 -8.652 1.00 22.63 C ATOM 457 NZ LYS A 29 3.793 -4.560 -9.837 1.00 24.98 N ATOM 0 H LYS A 29 -0.675 -2.309 -7.328 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.076 -4.956 -8.235 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.599 -3.777 -6.014 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.650 -5.468 -6.470 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.279 -4.830 -8.781 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.218 -3.137 -8.333 1.00 14.94 H new ATOM 0 HD2 LYS A 29 3.094 -3.589 -6.630 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.210 -5.220 -7.259 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.529 -2.689 -8.932 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.862 -3.631 -8.293 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.493 -4.230 -10.532 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.012 -5.539 -9.562 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.843 -4.524 -10.259 1.00 24.98 H new ATOM 471 N ILE A 30 -2.377 -4.192 -5.310 1.00 4.57 N ATOM 472 CA ILE A 30 -3.487 -4.479 -4.383 1.00 5.58 C ATOM 473 C ILE A 30 -4.885 -4.658 -5.077 1.00 7.26 C ATOM 474 O ILE A 30 -5.778 -5.408 -4.644 1.00 9.46 O ATOM 475 CB ILE A 30 -3.559 -3.462 -3.225 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.218 -3.448 -2.389 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.837 -3.628 -2.369 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.109 -2.479 -1.194 1.00 2.00 C ATOM 0 H ILE A 30 -1.956 -3.280 -5.131 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.245 -5.454 -3.961 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.650 -2.467 -3.661 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.050 -4.458 -2.014 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.401 -3.222 -3.075 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.837 -2.888 -1.569 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.717 -3.484 -2.997 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.859 -4.629 -1.938 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.131 -2.589 -0.724 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.230 -1.454 -1.544 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.888 -2.708 -0.467 1.00 2.00 H new ATOM 490 N GLN A 31 -5.122 -3.848 -6.114 1.00 7.06 N ATOM 491 CA GLN A 31 -6.285 -3.930 -6.968 1.00 8.67 C ATOM 492 C GLN A 31 -6.301 -5.174 -7.713 1.00 10.90 C ATOM 493 O GLN A 31 -7.330 -5.785 -7.801 1.00 9.63 O ATOM 494 CB GLN A 31 -6.405 -2.661 -7.914 1.00 9.12 C ATOM 495 CG GLN A 31 -7.586 -2.662 -8.856 1.00 10.76 C ATOM 496 CD GLN A 31 -7.783 -1.490 -9.825 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.861 -0.846 -9.835 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.734 -1.200 -10.670 1.00 14.76 N ATOM 0 H GLN A 31 -4.483 -3.099 -6.380 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.169 -3.928 -6.330 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.460 -1.769 -7.291 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.492 -2.582 -8.504 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.526 -3.572 -9.453 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.488 -2.738 -8.248 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.877 -1.751 -10.626 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.815 -0.435 -11.339 1.00 14.76 H new ATOM 507 N ASP A 32 -5.191 -5.607 -8.303 1.00 10.93 N ATOM 508 CA ASP A 32 -5.081 -6.871 -8.957 1.00 14.01 C ATOM 509 C ASP A 32 -5.311 -8.023 -8.012 1.00 14.04 C ATOM 510 O ASP A 32 -5.987 -9.057 -8.209 1.00 13.39 O ATOM 511 CB ASP A 32 -3.637 -7.020 -9.568 1.00 18.01 C ATOM 512 CG ASP A 32 -3.545 -8.027 -10.705 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.319 -7.922 -11.693 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.787 -9.046 -10.592 1.00 25.17 O ATOM 0 H ASP A 32 -4.330 -5.061 -8.330 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.846 -6.901 -9.733 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.305 -6.047 -9.931 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.948 -7.317 -8.777 1.00 18.01 H new ATOM 519 N LYS A 33 -4.804 -7.787 -6.742 1.00 14.22 N ATOM 520 CA LYS A 33 -5.014 -8.706 -5.599 1.00 14.00 C ATOM 521 C LYS A 33 -6.362 -8.930 -5.103 1.00 12.37 C ATOM 522 O LYS A 33 -6.978 -9.983 -5.219 1.00 12.17 O ATOM 523 CB LYS A 33 -4.105 -8.426 -4.393 1.00 18.62 C ATOM 524 CG LYS A 33 -2.664 -8.759 -4.697 1.00 24.00 C ATOM 525 CD LYS A 33 -2.377 -10.243 -4.414 1.00 27.61 C ATOM 526 CE LYS A 33 -0.869 -10.577 -4.544 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.585 -12.073 -4.280 1.00 30.06 N ATOM 0 H LYS A 33 -4.251 -6.963 -6.507 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.738 -9.631 -6.105 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.185 -7.376 -4.112 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.442 -9.012 -3.538 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.446 -8.534 -5.741 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.006 -8.135 -4.093 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.719 -10.493 -3.410 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.947 -10.861 -5.108 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.524 -10.313 -5.543 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.301 -9.970 -3.839 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.282 -12.167 -3.713 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.384 -12.492 -3.763 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.461 -12.568 -5.186 1.00 30.06 H new ATOM 541 N GLU A 34 -6.969 -7.886 -4.539 1.00 10.11 N ATOM 542 CA GLU A 34 -8.186 -8.039 -3.739 1.00 10.07 C ATOM 543 C GLU A 34 -9.305 -7.160 -4.363 1.00 9.32 C ATOM 544 O GLU A 34 -10.362 -7.021 -3.827 1.00 11.61 O ATOM 545 CB GLU A 34 -7.955 -7.504 -2.242 1.00 14.77 C ATOM 546 CG GLU A 34 -6.875 -8.247 -1.395 1.00 18.75 C ATOM 547 CD GLU A 34 -7.176 -9.702 -1.317 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.158 -10.032 -0.617 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.526 -10.557 -1.924 1.00 21.95 O ATOM 0 H GLU A 34 -6.638 -6.925 -4.621 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.454 -9.095 -3.722 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.681 -6.450 -2.295 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.904 -7.560 -1.709 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.891 -8.098 -1.840 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.839 -7.824 -0.391 1.00 18.75 H new ATOM 556 N GLY A 35 -9.098 -6.583 -5.522 1.00 7.22 N ATOM 557 CA GLY A 35 -10.216 -6.008 -6.274 1.00 6.29 C ATOM 558 C GLY A 35 -10.491 -4.575 -5.972 1.00 6.93 C ATOM 559 O GLY A 35 -11.316 -3.888 -6.603 1.00 7.41 O ATOM 0 H GLY A 35 -8.186 -6.493 -5.970 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.011 -6.109 -7.340 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.114 -6.589 -6.066 1.00 6.29 H new ATOM 563 N ILE A 36 -9.709 -4.074 -5.001 1.00 5.86 N ATOM 564 CA ILE A 36 -10.034 -2.781 -4.481 1.00 6.07 C ATOM 565 C ILE A 36 -9.624 -1.609 -5.377 1.00 6.36 C ATOM 566 O ILE A 36 -8.438 -1.585 -5.679 1.00 6.18 O ATOM 567 CB ILE A 36 -9.389 -2.544 -3.124 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.719 -3.705 -2.133 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.001 -1.227 -2.541 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.013 -3.722 -0.797 1.00 9.49 C ATOM 0 H ILE A 36 -8.894 -4.532 -4.593 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.122 -2.802 -4.414 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.307 -2.483 -3.245 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.792 -3.686 -1.943 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.501 -4.646 -2.638 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.562 -1.023 -1.565 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.788 -0.397 -3.215 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.080 -1.342 -2.436 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.345 -4.586 -0.221 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.936 -3.784 -0.955 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.248 -2.809 -0.250 1.00 9.49 H new ATOM 582 N PRO A 37 -10.443 -0.631 -5.767 1.00 8.65 N ATOM 583 CA PRO A 37 -10.024 0.606 -6.447 1.00 9.18 C ATOM 584 C PRO A 37 -8.946 1.384 -5.656 1.00 9.85 C ATOM 585 O PRO A 37 -9.124 1.520 -4.453 1.00 8.51 O ATOM 586 CB PRO A 37 -11.317 1.405 -6.557 1.00 11.42 C ATOM 587 CG PRO A 37 -12.402 0.391 -6.740 1.00 9.27 C ATOM 588 CD PRO A 37 -11.938 -0.685 -5.688 1.00 8.33 C ATOM 0 HA PRO A 37 -9.557 0.406 -7.411 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.486 2.003 -5.661 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.280 2.096 -7.399 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.391 0.792 -6.519 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.438 -0.005 -7.755 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.296 -0.447 -4.686 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.317 -1.677 -5.935 1.00 8.33 H new ATOM 596 N PRO A 38 -7.850 1.873 -6.203 1.00 8.71 N ATOM 597 CA PRO A 38 -6.767 2.512 -5.433 1.00 9.08 C ATOM 598 C PRO A 38 -7.167 3.711 -4.540 1.00 9.28 C ATOM 599 O PRO A 38 -6.456 4.131 -3.570 1.00 6.50 O ATOM 600 CB PRO A 38 -5.826 2.917 -6.586 1.00 10.31 C ATOM 601 CG PRO A 38 -5.929 1.754 -7.577 1.00 10.81 C ATOM 602 CD PRO A 38 -7.310 1.294 -7.422 1.00 12.00 C ATOM 0 HA PRO A 38 -6.348 1.851 -4.675 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.135 3.858 -7.042 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.803 3.054 -6.236 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.726 2.077 -8.598 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.214 0.964 -7.345 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.909 1.593 -8.282 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.344 0.206 -7.373 1.00 12.00 H new ATOM 610 N ASP A 39 -8.221 4.394 -4.907 1.00 11.20 N ATOM 611 CA ASP A 39 -8.629 5.659 -4.245 1.00 14.96 C ATOM 612 C ASP A 39 -9.566 5.302 -2.999 1.00 13.99 C ATOM 613 O ASP A 39 -9.836 6.093 -2.103 1.00 13.75 O ATOM 614 CB ASP A 39 -9.285 6.636 -5.232 1.00 24.16 C ATOM 615 CG ASP A 39 -8.279 7.018 -6.276 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.249 7.762 -5.965 1.00 34.22 O ATOM 617 OD2 ASP A 39 -8.498 6.687 -7.459 1.00 35.55 O ATOM 0 H ASP A 39 -8.836 4.110 -5.670 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.748 6.183 -3.876 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.155 6.174 -5.698 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.638 7.523 -4.706 1.00 24.16 H new ATOM 622 N GLN A 40 -9.962 3.988 -2.891 1.00 11.60 N ATOM 623 CA GLN A 40 -10.771 3.475 -1.743 1.00 10.76 C ATOM 624 C GLN A 40 -9.838 2.729 -0.799 1.00 8.01 C ATOM 625 O GLN A 40 -10.299 2.069 0.125 1.00 8.96 O ATOM 626 CB GLN A 40 -11.885 2.442 -2.177 1.00 11.14 C ATOM 627 CG GLN A 40 -13.006 3.216 -2.957 1.00 14.85 C ATOM 628 CD GLN A 40 -14.246 2.347 -3.112 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.235 1.388 -3.902 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.336 2.701 -2.374 1.00 18.16 N ATOM 0 H GLN A 40 -9.732 3.275 -3.584 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.255 4.339 -1.287 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.455 1.663 -2.806 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.305 1.948 -1.301 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.261 4.132 -2.424 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.636 3.511 -3.939 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.286 3.499 -1.741 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.202 2.168 -2.455 1.00 18.16 H new ATOM 639 N GLN A 41 -8.483 2.888 -0.952 1.00 6.52 N ATOM 640 CA GLN A 41 -7.467 2.246 -0.179 1.00 3.87 C ATOM 641 C GLN A 41 -6.716 3.311 0.551 1.00 4.79 C ATOM 642 O GLN A 41 -6.331 4.294 0.001 1.00 6.34 O ATOM 643 CB GLN A 41 -6.386 1.576 -1.064 1.00 4.20 C ATOM 644 CG GLN A 41 -6.936 0.507 -1.944 1.00 3.20 C ATOM 645 CD GLN A 41 -5.785 -0.205 -2.617 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.620 -0.245 -2.153 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.035 -0.787 -3.832 1.00 7.13 N ATOM 0 H GLN A 41 -8.094 3.506 -1.664 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.962 1.508 0.452 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.907 2.336 -1.681 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.613 1.151 -0.424 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.526 -0.198 -1.359 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.603 0.938 -2.691 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.976 -0.764 -4.224 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.280 -1.243 -4.344 1.00 7.13 H new ATOM 656 N ARG A 42 -6.444 3.161 1.883 1.00 5.73 N ATOM 657 CA ARG A 42 -5.595 4.008 2.639 1.00 6.97 C ATOM 658 C ARG A 42 -4.515 3.049 3.050 1.00 7.15 C ATOM 659 O ARG A 42 -4.800 1.912 3.331 1.00 7.33 O ATOM 660 CB ARG A 42 -6.356 4.607 3.851 1.00 13.23 C ATOM 661 CG ARG A 42 -5.503 5.329 4.881 1.00 21.27 C ATOM 662 CD ARG A 42 -6.307 6.263 5.764 1.00 26.14 C ATOM 663 NE ARG A 42 -6.753 7.315 4.753 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.855 8.098 4.846 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.675 8.088 5.891 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.078 8.995 3.904 1.00 36.39 N ATOM 0 H ARG A 42 -6.846 2.406 2.439 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.216 4.879 2.104 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.106 5.304 3.476 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.892 3.801 4.353 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.996 4.593 5.506 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.728 5.899 4.368 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.152 5.760 6.234 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.705 6.691 6.565 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.166 7.441 3.929 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.489 7.468 6.679 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.490 8.701 5.905 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.427 9.089 3.125 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.902 9.594 3.955 1.00 36.39 H new ATOM 680 N LEU A 43 -3.237 3.508 3.084 1.00 4.65 N ATOM 681 CA LEU A 43 -2.117 2.695 3.321 1.00 3.51 C ATOM 682 C LEU A 43 -1.388 3.462 4.442 1.00 5.56 C ATOM 683 O LEU A 43 -1.044 4.661 4.280 1.00 4.19 O ATOM 684 CB LEU A 43 -1.132 2.357 2.155 1.00 3.74 C ATOM 685 CG LEU A 43 -1.744 1.505 1.052 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.662 1.234 -0.008 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.311 0.208 1.666 1.00 6.41 C ATOM 0 H LEU A 43 -2.999 4.489 2.938 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.474 1.689 3.540 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.767 3.288 1.720 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.267 1.836 2.564 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.573 2.018 0.565 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.081 0.624 -0.808 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.310 2.180 -0.419 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.173 0.705 0.452 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.750 -0.405 0.879 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.508 -0.346 2.152 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.076 0.458 2.401 1.00 6.41 H new ATOM 699 N ILE A 44 -1.180 2.731 5.523 1.00 4.58 N ATOM 700 CA ILE A 44 -0.379 3.238 6.687 1.00 5.55 C ATOM 701 C ILE A 44 0.912 2.463 6.839 1.00 5.46 C ATOM 702 O ILE A 44 0.767 1.230 6.782 1.00 6.04 O ATOM 703 CB ILE A 44 -1.215 3.019 7.973 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.672 3.620 7.866 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.400 3.796 9.075 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.610 5.146 7.743 1.00 13.90 C ATOM 0 H ILE A 44 -1.542 1.785 5.645 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.145 4.290 6.522 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.356 1.958 8.180 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.184 3.199 7.000 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.253 3.343 8.746 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.908 3.705 10.035 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.601 3.373 9.153 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.328 4.848 8.800 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.621 5.547 7.670 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.117 5.562 8.622 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.047 5.416 6.849 1.00 13.90 H new ATOM 718 N PHE A 45 2.108 3.066 7.001 1.00 6.75 N ATOM 719 CA PHE A 45 3.404 2.373 7.277 1.00 4.70 C ATOM 720 C PHE A 45 4.209 3.428 8.043 1.00 6.34 C ATOM 721 O PHE A 45 4.330 4.601 7.704 1.00 5.45 O ATOM 722 CB PHE A 45 4.067 1.766 6.015 1.00 5.51 C ATOM 723 CG PHE A 45 5.453 1.298 6.392 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.593 0.071 7.135 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.604 2.091 6.122 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.819 -0.249 7.714 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.760 1.752 6.768 1.00 6.64 C ATOM 728 CZ PHE A 45 7.868 0.645 7.598 1.00 6.84 C ATOM 0 H PHE A 45 2.212 4.079 6.943 1.00 6.75 H new ATOM 0 HA PHE A 45 3.301 1.466 7.873 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.474 0.933 5.637 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.119 2.508 5.218 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.751 -0.597 7.242 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.566 2.925 5.436 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.948 -1.180 8.245 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.631 2.375 6.626 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.777 0.480 8.157 1.00 6.84 H new ATOM 738 N ALA A 46 4.801 2.991 9.181 1.00 6.53 N ATOM 739 CA ALA A 46 5.493 3.842 10.127 1.00 7.15 C ATOM 740 C ALA A 46 4.780 5.146 10.608 1.00 9.00 C ATOM 741 O ALA A 46 5.417 6.187 10.677 1.00 11.15 O ATOM 742 CB ALA A 46 6.957 4.228 9.765 1.00 8.99 C ATOM 0 H ALA A 46 4.800 2.009 9.456 1.00 6.53 H new ATOM 0 HA ALA A 46 5.484 3.133 10.955 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.369 4.866 10.547 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.561 3.325 9.678 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.968 4.764 8.816 1.00 8.99 H new ATOM 748 N GLY A 47 3.504 4.995 10.927 1.00 9.35 N ATOM 749 CA GLY A 47 2.653 6.027 11.484 1.00 11.68 C ATOM 750 C GLY A 47 2.251 7.124 10.539 1.00 11.14 C ATOM 751 O GLY A 47 1.690 8.149 10.978 1.00 13.93 O ATOM 0 H GLY A 47 3.015 4.109 10.798 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.749 5.557 11.870 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.167 6.476 12.334 1.00 11.68 H new ATOM 755 N LYS A 48 2.558 6.904 9.291 1.00 10.47 N ATOM 756 CA LYS A 48 2.220 7.924 8.300 1.00 8.82 C ATOM 757 C LYS A 48 1.331 7.363 7.271 1.00 7.68 C ATOM 758 O LYS A 48 1.381 6.150 6.900 1.00 6.47 O ATOM 759 CB LYS A 48 3.508 8.343 7.594 1.00 9.74 C ATOM 760 CG LYS A 48 4.485 8.996 8.590 1.00 14.14 C ATOM 761 CD LYS A 48 5.656 9.779 7.929 1.00 16.32 C ATOM 762 CE LYS A 48 6.748 9.026 7.181 1.00 20.04 C ATOM 763 NZ LYS A 48 7.743 9.903 6.625 1.00 23.92 N ATOM 0 H LYS A 48 3.022 6.070 8.932 1.00 10.47 H new ATOM 0 HA LYS A 48 1.732 8.759 8.802 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.977 7.473 7.134 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.278 9.043 6.791 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.927 9.677 9.233 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.901 8.220 9.233 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.217 10.491 7.231 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.141 10.360 8.713 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.229 8.321 7.860 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.297 8.440 6.380 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.462 9.341 6.127 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.292 10.559 5.956 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.195 10.444 7.389 1.00 23.92 H new ATOM 777 N GLN A 49 0.458 8.167 6.749 1.00 8.89 N ATOM 778 CA GLN A 49 -0.288 7.871 5.554 1.00 7.18 C ATOM 779 C GLN A 49 0.496 8.046 4.298 1.00 8.23 C ATOM 780 O GLN A 49 0.988 9.154 3.980 1.00 9.70 O ATOM 781 CB GLN A 49 -1.630 8.656 5.313 1.00 11.67 C ATOM 782 CG GLN A 49 -2.550 8.537 6.529 1.00 15.82 C ATOM 783 CD GLN A 49 -3.691 9.572 6.498 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.821 9.236 6.734 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.391 10.850 6.173 1.00 20.67 N ATOM 0 H GLN A 49 0.234 9.077 7.151 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.530 6.829 5.764 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.413 9.706 5.116 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.134 8.263 4.430 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.973 7.533 6.566 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.965 8.670 7.439 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.425 11.113 5.977 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.130 11.551 6.124 1.00 20.67 H new ATOM 794 N LEU A 50 0.685 6.983 3.471 1.00 6.51 N ATOM 795 CA LEU A 50 1.606 6.869 2.315 1.00 7.41 C ATOM 796 C LEU A 50 1.012 7.561 1.076 1.00 8.27 C ATOM 797 O LEU A 50 -0.021 7.148 0.614 1.00 8.34 O ATOM 798 CB LEU A 50 1.875 5.389 1.938 1.00 7.13 C ATOM 799 CG LEU A 50 2.425 4.538 3.137 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.689 3.099 2.655 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.638 5.180 3.805 1.00 9.11 C ATOM 0 H LEU A 50 0.157 6.121 3.608 1.00 6.51 H new ATOM 0 HA LEU A 50 2.538 7.347 2.615 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.951 4.939 1.575 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.591 5.354 1.117 1.00 7.13 H new ATOM 0 HG LEU A 50 1.669 4.503 3.922 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.071 2.502 3.483 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.760 2.661 2.291 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.423 3.114 1.849 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.977 4.550 4.627 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.441 5.288 3.075 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.364 6.162 4.190 1.00 9.11 H new ATOM 813 N GLU A 51 1.710 8.709 0.612 1.00 9.43 N ATOM 814 CA GLU A 51 1.357 9.489 -0.486 1.00 11.90 C ATOM 815 C GLU A 51 1.677 8.860 -1.858 1.00 11.49 C ATOM 816 O GLU A 51 2.668 8.163 -2.070 1.00 9.88 O ATOM 817 CB GLU A 51 1.980 10.933 -0.448 1.00 16.56 C ATOM 818 CG GLU A 51 1.063 11.968 -1.177 1.00 26.06 C ATOM 819 CD GLU A 51 -0.232 12.344 -0.431 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.167 12.650 0.776 1.00 32.13 O ATOM 821 OE2 GLU A 51 -1.331 12.384 -1.055 1.00 33.44 O ATOM 0 H GLU A 51 2.552 9.049 1.076 1.00 9.43 H new ATOM 0 HA GLU A 51 0.273 9.552 -0.389 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.127 11.241 0.587 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.963 10.920 -0.919 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.638 12.877 -1.353 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.796 11.566 -2.154 1.00 26.06 H new ATOM 828 N ASP A 52 0.702 9.029 -2.721 1.00 12.71 N ATOM 829 CA ASP A 52 0.685 8.421 -4.075 1.00 16.56 C ATOM 830 C ASP A 52 1.811 8.482 -5.058 1.00 15.83 C ATOM 831 O ASP A 52 2.186 7.438 -5.639 1.00 17.21 O ATOM 832 CB ASP A 52 -0.505 9.007 -4.858 1.00 21.05 C ATOM 833 CG ASP A 52 -1.801 8.552 -4.330 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.238 8.833 -3.173 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.396 7.715 -5.031 1.00 28.37 O ATOM 0 H ASP A 52 -0.122 9.596 -2.521 1.00 12.71 H new ATOM 0 HA ASP A 52 0.696 7.378 -3.757 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.462 10.095 -4.819 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.422 8.722 -5.907 1.00 21.05 H new ATOM 840 N GLY A 53 2.453 9.634 -5.324 1.00 15.00 N ATOM 841 CA GLY A 53 3.541 9.757 -6.259 1.00 11.77 C ATOM 842 C GLY A 53 4.886 9.475 -5.568 1.00 11.10 C ATOM 843 O GLY A 53 5.886 9.398 -6.217 1.00 11.25 O ATOM 0 H GLY A 53 2.209 10.516 -4.874 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.398 9.060 -7.085 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.549 10.760 -6.686 1.00 11.77 H new ATOM 847 N ARG A 54 4.923 9.245 -4.269 1.00 8.53 N ATOM 848 CA ARG A 54 6.128 8.964 -3.498 1.00 9.05 C ATOM 849 C ARG A 54 6.340 7.482 -3.511 1.00 8.96 C ATOM 850 O ARG A 54 5.406 6.753 -3.921 1.00 11.60 O ATOM 851 CB ARG A 54 6.067 9.440 -2.059 1.00 7.97 C ATOM 852 CG ARG A 54 5.859 10.927 -1.943 1.00 9.62 C ATOM 853 CD ARG A 54 6.252 11.492 -0.578 1.00 12.20 C ATOM 854 NE ARG A 54 5.905 12.950 -0.657 1.00 18.23 N ATOM 855 CZ ARG A 54 6.736 13.908 -1.134 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.917 13.679 -1.687 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.260 15.180 -1.077 1.00 23.38 N ATOM 0 H ARG A 54 4.080 9.248 -3.694 1.00 8.53 H new ATOM 0 HA ARG A 54 6.948 9.511 -3.963 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.257 8.923 -1.545 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.992 9.167 -1.551 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.440 11.429 -2.716 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.810 11.155 -2.134 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.708 10.998 0.227 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.314 11.348 -0.380 1.00 12.20 H new ATOM 0 HE ARG A 54 4.983 13.239 -0.330 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.261 12.723 -1.778 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.483 14.459 -2.022 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.332 15.361 -0.693 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.830 15.954 -1.418 1.00 23.38 H new ATOM 871 N THR A 55 7.536 7.018 -3.195 1.00 9.05 N ATOM 872 CA THR A 55 8.088 5.654 -3.455 1.00 9.03 C ATOM 873 C THR A 55 8.357 4.951 -2.147 1.00 8.15 C ATOM 874 O THR A 55 8.725 5.559 -1.092 1.00 5.91 O ATOM 875 CB THR A 55 9.359 5.513 -4.347 1.00 11.15 C ATOM 876 OG1 THR A 55 10.466 6.145 -3.746 1.00 11.95 O ATOM 877 CG2 THR A 55 9.167 6.212 -5.664 1.00 11.71 C ATOM 0 H THR A 55 8.214 7.609 -2.714 1.00 9.05 H new ATOM 0 HA THR A 55 7.295 5.201 -4.050 1.00 9.03 H new ATOM 0 HB THR A 55 9.527 4.444 -4.477 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.233 7.070 -3.522 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.066 6.100 -6.270 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.319 5.772 -6.189 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.976 7.271 -5.489 1.00 11.71 H new ATOM 885 N LEU A 56 8.362 3.653 -2.196 1.00 6.91 N ATOM 886 CA LEU A 56 8.779 2.736 -1.189 1.00 8.29 C ATOM 887 C LEU A 56 10.130 3.094 -0.547 1.00 8.05 C ATOM 888 O LEU A 56 10.280 3.146 0.679 1.00 10.17 O ATOM 889 CB LEU A 56 8.831 1.301 -1.875 1.00 6.60 C ATOM 890 CG LEU A 56 7.432 0.811 -2.250 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.675 -0.689 -2.632 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.392 0.645 -1.102 1.00 8.64 C ATOM 0 H LEU A 56 8.040 3.164 -3.031 1.00 6.91 H new ATOM 0 HA LEU A 56 8.069 2.765 -0.362 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.454 1.345 -2.768 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.298 0.588 -1.196 1.00 6.60 H new ATOM 0 HG LEU A 56 7.041 1.533 -2.967 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.730 -1.148 -2.922 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.375 -0.743 -3.466 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.089 -1.220 -1.775 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.447 0.292 -1.515 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.764 -0.078 -0.376 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.237 1.605 -0.610 1.00 8.64 H new ATOM 904 N SER A 57 11.126 3.404 -1.434 1.00 8.92 N ATOM 905 CA SER A 57 12.370 3.956 -0.948 1.00 9.00 C ATOM 906 C SER A 57 12.249 5.209 -0.073 1.00 9.44 C ATOM 907 O SER A 57 12.862 5.260 0.988 1.00 10.91 O ATOM 908 CB SER A 57 13.358 4.232 -2.115 1.00 10.32 C ATOM 909 OG SER A 57 14.666 4.498 -1.617 1.00 13.59 O ATOM 0 H SER A 57 11.070 3.277 -2.444 1.00 8.92 H new ATOM 0 HA SER A 57 12.756 3.177 -0.291 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.387 3.372 -2.785 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.007 5.081 -2.701 1.00 10.32 H new ATOM 0 HG SER A 57 15.273 4.668 -2.367 1.00 13.59 H new ATOM 915 N ASP A 58 11.419 6.194 -0.456 1.00 9.11 N ATOM 916 CA ASP A 58 11.123 7.366 0.304 1.00 7.91 C ATOM 917 C ASP A 58 10.617 7.087 1.689 1.00 9.12 C ATOM 918 O ASP A 58 10.991 7.753 2.653 1.00 8.61 O ATOM 919 CB ASP A 58 10.124 8.310 -0.369 1.00 8.41 C ATOM 920 CG ASP A 58 10.723 8.660 -1.738 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.985 8.946 -1.719 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.045 8.664 -2.772 1.00 11.70 O ATOM 0 H ASP A 58 10.926 6.170 -1.349 1.00 9.11 H new ATOM 0 HA ASP A 58 12.097 7.851 0.365 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.151 7.832 -0.480 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.972 9.208 0.230 1.00 8.41 H new ATOM 927 N TYR A 59 9.818 6.046 1.855 1.00 7.97 N ATOM 928 CA TYR A 59 9.243 5.713 3.117 1.00 8.45 C ATOM 929 C TYR A 59 10.059 4.670 3.924 1.00 10.98 C ATOM 930 O TYR A 59 9.704 4.269 5.009 1.00 12.95 O ATOM 931 CB TYR A 59 7.802 5.168 2.905 1.00 7.94 C ATOM 932 CG TYR A 59 6.810 6.219 2.558 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.584 7.290 3.450 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.188 6.240 1.341 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.789 8.369 3.087 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.441 7.406 0.879 1.00 6.52 C ATOM 937 CZ TYR A 59 5.192 8.444 1.822 1.00 6.76 C ATOM 938 OH TYR A 59 4.403 9.553 1.464 1.00 7.63 O ATOM 0 H TYR A 59 9.557 5.411 1.100 1.00 7.97 H new ATOM 0 HA TYR A 59 9.240 6.633 3.701 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.819 4.421 2.112 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.478 4.661 3.814 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.037 7.270 4.430 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.251 5.370 0.704 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.627 9.168 3.795 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.090 7.479 -0.140 1.00 6.52 H new ATOM 0 HH TYR A 59 4.558 10.283 2.099 1.00 7.63 H new ATOM 948 N ASN A 60 11.277 4.245 3.413 1.00 12.38 N ATOM 949 CA ASN A 60 12.194 3.365 4.086 1.00 13.94 C ATOM 950 C ASN A 60 11.689 1.913 4.162 1.00 14.16 C ATOM 951 O ASN A 60 12.054 1.156 5.061 1.00 14.26 O ATOM 952 CB ASN A 60 12.603 3.925 5.467 1.00 19.23 C ATOM 953 CG ASN A 60 14.015 3.513 5.881 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.672 2.638 5.316 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.553 4.195 6.901 1.00 24.09 N ATOM 0 H ASN A 60 11.613 4.539 2.496 1.00 12.38 H new ATOM 0 HA ASN A 60 13.096 3.325 3.475 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.539 5.013 5.446 1.00 19.23 H new ATOM 0 HB3 ASN A 60 11.894 3.578 6.219 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.504 3.989 7.207 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.012 4.920 7.371 1.00 24.09 H new ATOM 962 N ILE A 61 10.800 1.548 3.191 1.00 11.08 N ATOM 963 CA ILE A 61 10.277 0.210 3.007 1.00 11.78 C ATOM 964 C ILE A 61 11.382 -0.676 2.416 1.00 13.74 C ATOM 965 O ILE A 61 12.214 -0.287 1.637 1.00 14.60 O ATOM 966 CB ILE A 61 8.952 0.218 2.160 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.940 0.935 3.015 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.430 -1.191 1.902 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.685 1.398 2.314 1.00 11.42 C ATOM 0 H ILE A 61 10.434 2.213 2.510 1.00 11.08 H new ATOM 0 HA ILE A 61 9.989 -0.214 3.969 1.00 11.78 H new ATOM 0 HB ILE A 61 9.129 0.686 1.192 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.652 0.274 3.833 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.423 1.804 3.462 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.514 -1.138 1.314 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.180 -1.762 1.355 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.223 -1.682 2.853 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.033 1.900 3.029 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.949 2.091 1.515 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.166 0.538 1.891 1.00 11.42 H new ATOM 981 N GLN A 62 11.435 -1.970 2.831 1.00 13.97 N ATOM 982 CA GLN A 62 12.489 -2.897 2.480 1.00 15.52 C ATOM 983 C GLN A 62 11.883 -4.247 2.441 1.00 13.94 C ATOM 984 O GLN A 62 10.735 -4.469 2.807 1.00 12.15 O ATOM 985 CB GLN A 62 13.612 -2.882 3.575 1.00 19.53 C ATOM 986 CG GLN A 62 13.128 -2.983 5.063 1.00 26.38 C ATOM 987 CD GLN A 62 14.266 -3.255 6.087 1.00 30.61 C ATOM 988 OE1 GLN A 62 13.947 -3.902 7.096 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.510 -2.852 5.710 1.00 32.71 N ATOM 0 H GLN A 62 10.721 -2.384 3.430 1.00 13.97 H new ATOM 0 HA GLN A 62 12.931 -2.623 1.522 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.293 -3.710 3.379 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.187 -1.963 3.463 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.626 -2.054 5.334 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.388 -3.780 5.139 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.635 -2.321 4.848 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.318 -3.081 6.289 1.00 32.71 H new ATOM 998 N LYS A 63 12.662 -5.248 1.929 1.00 11.73 N ATOM 999 CA LYS A 63 12.256 -6.651 1.869 1.00 11.97 C ATOM 1000 C LYS A 63 11.627 -7.259 3.112 1.00 10.41 C ATOM 1001 O LYS A 63 12.183 -7.166 4.198 1.00 9.59 O ATOM 1002 CB LYS A 63 13.338 -7.605 1.326 1.00 13.73 C ATOM 1003 CG LYS A 63 14.689 -7.794 2.109 1.00 16.98 C ATOM 1004 CD LYS A 63 15.701 -8.559 1.278 1.00 20.19 C ATOM 1005 CE LYS A 63 17.077 -8.664 1.978 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.065 -9.335 1.098 1.00 25.97 N ATOM 0 H LYS A 63 13.594 -5.082 1.548 1.00 11.73 H new ATOM 0 HA LYS A 63 11.446 -6.566 1.144 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.881 -8.590 1.227 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.591 -7.268 0.321 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.097 -6.819 2.377 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.501 -8.328 3.041 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.320 -9.561 1.078 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.823 -8.066 0.314 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.434 -7.668 2.240 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.975 -9.221 2.909 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.981 -9.395 1.587 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.731 -10.293 0.869 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.176 -8.788 0.220 1.00 25.97 H new ATOM 1020 N GLU A 64 10.408 -7.811 3.002 1.00 10.04 N ATOM 1021 CA GLU A 64 9.663 -8.523 4.032 1.00 10.94 C ATOM 1022 C GLU A 64 9.212 -7.537 5.224 1.00 9.74 C ATOM 1023 O GLU A 64 8.719 -7.999 6.248 1.00 9.42 O ATOM 1024 CB GLU A 64 10.493 -9.735 4.628 1.00 18.31 C ATOM 1025 CG GLU A 64 10.841 -10.813 3.586 1.00 24.16 C ATOM 1026 CD GLU A 64 11.837 -11.892 3.897 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.509 -12.796 4.743 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.947 -11.824 3.279 1.00 32.61 O ATOM 0 H GLU A 64 9.888 -7.764 2.126 1.00 10.04 H new ATOM 0 HA GLU A 64 8.770 -8.920 3.549 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.415 -9.353 5.066 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.923 -10.193 5.436 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.909 -11.307 3.314 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.199 -10.294 2.696 1.00 24.16 H new ATOM 1035 N SER A 65 9.257 -6.219 5.018 1.00 6.85 N ATOM 1036 CA SER A 65 8.471 -5.260 5.766 1.00 6.90 C ATOM 1037 C SER A 65 6.955 -5.271 5.485 1.00 4.72 C ATOM 1038 O SER A 65 6.531 -5.796 4.449 1.00 3.91 O ATOM 1039 CB SER A 65 8.955 -3.784 5.507 1.00 7.28 C ATOM 1040 OG SER A 65 8.346 -2.819 6.402 1.00 10.56 O ATOM 0 H SER A 65 9.855 -5.790 4.312 1.00 6.85 H new ATOM 0 HA SER A 65 8.630 -5.580 6.796 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.038 -3.739 5.617 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.727 -3.509 4.477 1.00 7.28 H new ATOM 0 HG SER A 65 8.797 -1.954 6.307 1.00 10.56 H new ATOM 1046 N THR A 66 6.065 -4.835 6.390 1.00 4.48 N ATOM 1047 CA THR A 66 4.634 -5.110 6.298 1.00 3.80 C ATOM 1048 C THR A 66 3.908 -3.810 6.440 1.00 4.60 C ATOM 1049 O THR A 66 4.171 -3.035 7.336 1.00 5.33 O ATOM 1050 CB THR A 66 4.070 -6.064 7.361 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.693 -7.325 7.345 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.603 -6.243 7.151 1.00 3.40 C ATOM 0 H THR A 66 6.324 -4.281 7.206 1.00 4.48 H new ATOM 0 HA THR A 66 4.490 -5.603 5.337 1.00 3.80 H new ATOM 0 HB THR A 66 4.268 -5.610 8.332 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.300 -7.893 8.040 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.207 -6.921 7.907 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.103 -5.278 7.232 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.426 -6.662 6.160 1.00 3.40 H new ATOM 1060 N LEU A 67 2.953 -3.502 5.544 1.00 4.17 N ATOM 1061 CA LEU A 67 2.213 -2.222 5.452 1.00 3.85 C ATOM 1062 C LEU A 67 0.778 -2.496 5.899 1.00 3.80 C ATOM 1063 O LEU A 67 0.355 -3.615 6.110 1.00 5.54 O ATOM 1064 CB LEU A 67 2.119 -1.718 4.030 1.00 7.18 C ATOM 1065 CG LEU A 67 3.360 -1.768 3.114 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.010 -1.162 1.754 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.586 -1.154 3.695 1.00 11.66 C ATOM 0 H LEU A 67 2.659 -4.167 4.829 1.00 4.17 H new ATOM 0 HA LEU A 67 2.735 -1.484 6.061 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.328 -2.283 3.537 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.789 -0.680 4.074 1.00 7.18 H new ATOM 0 HG LEU A 67 3.622 -2.819 2.996 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.885 -1.196 1.105 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.199 -1.731 1.300 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.697 -0.126 1.887 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.406 -1.235 2.982 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.398 -0.103 3.914 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.852 -1.674 4.615 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.030 -1.460 6.212 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.384 -1.652 6.752 1.00 4.17 C ATOM 1081 C HIS A 68 -2.424 -0.982 5.819 1.00 5.32 C ATOM 1082 O HIS A 68 -2.177 0.070 5.308 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.551 -1.224 8.245 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.047 -2.344 9.108 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.170 -2.912 9.121 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.740 -3.122 10.016 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.216 -3.964 9.950 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.978 -4.188 10.413 1.00 16.30 N ATOM 0 H HIS A 68 0.237 -0.482 6.098 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.567 -2.726 6.769 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.993 -0.309 8.444 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.597 -1.014 8.466 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.742 -2.918 10.364 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.101 -4.533 10.194 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.284 -4.993 10.960 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.484 -1.719 5.487 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.394 -1.309 4.361 1.00 3.97 C ATOM 1098 C LEU A 69 -5.790 -1.178 4.962 1.00 5.07 C ATOM 1099 O LEU A 69 -6.277 -2.151 5.597 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.351 -2.357 3.203 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.587 -2.422 2.257 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.828 -1.190 1.429 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.415 -3.615 1.328 1.00 9.96 C ATOM 0 H LEU A 69 -3.749 -2.586 5.954 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.082 -0.363 3.918 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.470 -2.153 2.595 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.211 -3.344 3.645 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.459 -2.512 2.904 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.710 -1.337 0.806 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.987 -0.335 2.086 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.962 -1.003 0.794 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.271 -3.679 0.656 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.503 -3.493 0.744 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.348 -4.529 1.918 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.417 -0.042 4.844 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.698 0.120 5.435 1.00 6.26 C ATOM 1117 C VAL A 70 -8.475 0.971 4.447 1.00 9.22 C ATOM 1118 O VAL A 70 -7.908 1.535 3.504 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.719 0.723 6.819 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.091 -0.274 7.798 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.969 2.057 6.720 1.00 8.54 C ATOM 0 H VAL A 70 -6.059 0.774 4.347 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.135 -0.863 5.610 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.723 0.921 7.195 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.099 0.148 8.803 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.663 -1.202 7.790 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -6.063 -0.479 7.499 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.953 2.539 7.698 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.947 1.876 6.388 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.473 2.706 6.004 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.802 1.083 4.632 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.777 1.767 3.740 1.00 16.06 C ATOM 1133 C LEU A 71 -10.406 3.246 3.628 1.00 18.09 C ATOM 1134 O LEU A 71 -9.738 3.876 4.489 1.00 19.26 O ATOM 1135 CB LEU A 71 -12.248 1.582 4.243 1.00 17.10 C ATOM 1136 CG LEU A 71 -13.366 1.953 3.256 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.165 1.259 1.899 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.706 1.453 3.779 1.00 19.57 C ATOM 0 H LEU A 71 -10.256 0.679 5.451 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.728 1.312 2.751 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.381 0.539 4.531 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.377 2.181 5.145 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.343 3.037 3.147 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.972 1.541 1.223 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.210 1.565 1.472 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.171 0.178 2.039 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -15.494 1.719 3.074 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -14.671 0.369 3.892 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.913 1.912 4.746 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.845 3.847 2.475 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.849 5.272 2.228 1.00 25.83 C ATOM 1152 C ARG A 72 -12.263 5.650 1.700 1.00 27.74 C ATOM 1153 O ARG A 72 -12.653 5.131 0.676 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.721 5.762 1.412 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.738 7.284 1.133 1.00 31.79 C ATOM 1156 CD ARG A 72 -8.353 7.578 0.569 1.00 34.05 C ATOM 1157 NE ARG A 72 -8.269 9.020 0.208 1.00 35.08 N ATOM 1158 CZ ARG A 72 -7.401 9.454 -0.782 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -6.455 8.685 -1.319 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -7.508 10.670 -1.276 1.00 35.02 N ATOM 0 H ARG A 72 -11.210 3.310 1.689 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.666 5.803 3.162 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.788 5.509 1.917 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.722 5.232 0.460 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -10.521 7.550 0.423 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -9.926 7.853 2.043 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -7.587 7.329 1.304 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.165 6.959 -0.309 1.00 34.05 H new ATOM 0 HE ARG A 72 -8.857 9.697 0.695 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -6.341 7.722 -1.004 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -5.845 9.060 -2.045 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -8.233 11.299 -0.930 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -6.866 10.983 -2.004 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.896 6.587 2.364 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.204 7.128 1.974 1.00 30.76 C ATOM 1176 C LEU A 73 -14.200 8.064 0.771 1.00 32.18 C ATOM 1177 O LEU A 73 -13.130 8.615 0.408 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.780 7.889 3.221 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.926 6.936 4.423 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.466 7.793 5.603 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.747 5.649 4.278 1.00 29.11 C ATOM 0 H LEU A 73 -12.520 7.013 3.211 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.815 6.281 1.660 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.121 8.716 3.485 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.750 8.321 2.973 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.930 6.518 4.569 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.588 7.163 6.484 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.760 8.593 5.824 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.429 8.224 5.329 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.740 5.104 5.222 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.774 5.900 4.012 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.312 5.026 3.496 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.366 8.269 0.145 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.559 9.218 -0.901 1.00 35.33 C ATOM 1195 C ARG A 74 -15.464 10.659 -0.432 1.00 36.22 C ATOM 1196 O ARG A 74 -15.895 10.941 0.678 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.855 9.016 -1.712 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.018 7.650 -2.512 1.00 38.62 C ATOM 1199 CD ARG A 74 -15.973 7.446 -3.562 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.177 6.080 -4.149 1.00 41.13 N ATOM 1201 CZ ARG A 74 -15.286 5.587 -5.022 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.132 6.181 -5.336 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -15.558 4.413 -5.584 1.00 41.93 N ATOM 0 H ARG A 74 -16.213 7.751 0.378 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.724 9.020 -1.573 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.698 9.107 -1.027 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -16.936 9.835 -2.426 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.981 6.819 -1.808 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.002 7.628 -2.981 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.053 8.210 -4.335 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -14.976 7.532 -3.131 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.992 5.527 -3.884 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -13.881 7.069 -4.902 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.502 5.747 -6.010 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.419 3.921 -5.346 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -14.905 4.004 -6.253 1.00 41.93 H new ATOM 1217 N GLY A 75 -14.968 11.617 -1.263 1.00 36.31 N ATOM 1218 CA GLY A 75 -14.840 13.066 -0.983 1.00 36.07 C ATOM 1219 C GLY A 75 -13.540 13.572 -0.434 1.00 36.16 C ATOM 1220 O GLY A 75 -13.234 14.754 -0.232 1.00 36.26 O ATOM 0 H GLY A 75 -14.630 11.381 -2.196 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -15.041 13.603 -1.910 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -15.627 13.339 -0.280 1.00 36.07 H new ATOM 1224 N GLY A 76 -12.645 12.631 -0.148 1.00 36.05 N ATOM 1225 CA GLY A 76 -11.390 12.882 0.550 1.00 36.19 C ATOM 1226 C GLY A 76 -10.209 11.998 0.214 1.00 36.20 C ATOM 1227 O GLY A 76 -10.237 10.751 0.398 1.00 0.00 O ATOM 1228 OXT GLY A 76 -9.177 12.558 -0.316 1.00 0.00 O ATOM 0 H GLY A 76 -12.776 11.652 -0.401 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -11.101 13.915 0.358 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -11.579 12.797 1.620 1.00 36.19 H new TER 1232 GLY A 76