USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 6 LYS NZ :NH3+ 160:sc= 1.15 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot 150:sc= 0.973 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= -0.272 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 2.45 (180deg=2.25) USER MOD Single : A 2 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.5) USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= 1.12 (180deg=0.336) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.182 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 152:sc= 1.73 (180deg=-0.147) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 1.3 (180deg=1.21) USER MOD Single : A 31 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.33) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.375 K(o=-0.38,f=-2.4!) USER MOD Single : A 41 GLN : amide:sc= 1.18 K(o=1.2,f=-1.7) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 55 THR OG1 : rot -81:sc= 1.19 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 120:sc= 0.155 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.245 X(o=-0.25,f=-0.016) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.23) USER MOD Single : A 65 SER OG : rot -103:sc= 0.075 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.522 X(o=-0.52,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.498 -7.008 -4.736 1.00 9.67 N ATOM 2 CA MET A 1 11.372 -7.398 -3.326 1.00 10.38 C ATOM 3 C MET A 1 9.959 -7.794 -2.903 1.00 9.62 C ATOM 4 O MET A 1 8.987 -7.192 -3.337 1.00 9.62 O ATOM 5 CB MET A 1 11.866 -6.286 -2.350 1.00 13.77 C ATOM 6 CG MET A 1 11.064 -4.960 -2.185 1.00 16.29 C ATOM 7 SD MET A 1 11.842 -3.966 -0.897 1.00 17.17 S ATOM 8 CE MET A 1 11.249 -2.403 -1.539 1.00 16.11 C ATOM 0 H1 MET A 1 12.397 -6.505 -4.878 1.00 9.67 H new ATOM 0 H2 MET A 1 11.479 -7.858 -5.334 1.00 9.67 H new ATOM 0 H3 MET A 1 10.707 -6.384 -4.996 1.00 9.67 H new ATOM 0 HA MET A 1 12.012 -8.278 -3.256 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.945 -6.738 -1.361 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.876 -6.014 -2.658 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.046 -4.411 -3.126 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.029 -5.176 -1.921 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.601 -1.591 -0.903 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.625 -2.260 -2.552 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.159 -2.406 -1.554 1.00 16.11 H new ATOM 20 N GLN A 2 9.892 -8.762 -1.938 1.00 9.27 N ATOM 21 CA GLN A 2 8.665 -9.178 -1.320 1.00 9.07 C ATOM 22 C GLN A 2 8.292 -8.198 -0.193 1.00 8.72 C ATOM 23 O GLN A 2 9.111 -7.733 0.601 1.00 8.22 O ATOM 24 CB GLN A 2 8.864 -10.607 -0.774 1.00 14.46 C ATOM 25 CG GLN A 2 8.838 -11.720 -1.847 1.00 17.01 C ATOM 26 CD GLN A 2 7.408 -11.949 -2.308 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.632 -12.691 -1.717 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.951 -11.254 -3.367 1.00 19.49 N ATOM 0 H GLN A 2 10.713 -9.257 -1.589 1.00 9.27 H new ATOM 0 HA GLN A 2 7.848 -9.178 -2.042 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.818 -10.651 -0.248 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.086 -10.812 -0.039 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.463 -11.437 -2.694 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.252 -12.642 -1.439 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.577 -10.630 -3.876 1.00 19.49 H new ATOM 0 HE22 GLN A 2 5.979 -11.352 -3.660 1.00 19.49 H new ATOM 37 N ILE A 3 6.990 -7.840 -0.038 1.00 5.87 N ATOM 38 CA ILE A 3 6.501 -7.056 1.091 1.00 5.07 C ATOM 39 C ILE A 3 5.159 -7.596 1.455 1.00 4.01 C ATOM 40 O ILE A 3 4.573 -8.433 0.799 1.00 4.61 O ATOM 41 CB ILE A 3 6.391 -5.561 0.822 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.545 -5.246 -0.368 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.771 -4.928 0.883 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.241 -3.760 -0.299 1.00 10.83 C ATOM 0 H ILE A 3 6.260 -8.096 -0.703 1.00 5.87 H new ATOM 0 HA ILE A 3 7.228 -7.150 1.898 1.00 5.07 H new ATOM 0 HB ILE A 3 5.824 -5.076 1.616 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.068 -5.493 -1.292 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.625 -5.831 -0.356 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.689 -3.858 0.690 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.201 -5.087 1.872 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.414 -5.384 0.131 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.622 -3.475 -1.150 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.709 -3.540 0.626 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.174 -3.196 -0.324 1.00 10.83 H new ATOM 56 N PHE A 4 4.631 -7.157 2.619 1.00 4.55 N ATOM 57 CA PHE A 4 3.393 -7.680 3.158 1.00 4.68 C ATOM 58 C PHE A 4 2.374 -6.595 3.296 1.00 5.30 C ATOM 59 O PHE A 4 2.684 -5.525 3.875 1.00 5.58 O ATOM 60 CB PHE A 4 3.731 -8.275 4.571 1.00 4.83 C ATOM 61 CG PHE A 4 4.938 -9.153 4.544 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.109 -10.075 3.491 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.921 -9.128 5.542 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.175 -10.933 3.403 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.011 -10.045 5.479 1.00 10.61 C ATOM 66 CZ PHE A 4 7.177 -10.863 4.412 1.00 8.90 C ATOM 0 H PHE A 4 5.062 -6.434 3.195 1.00 4.55 H new ATOM 0 HA PHE A 4 2.977 -8.438 2.494 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.894 -7.460 5.276 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.877 -8.846 4.935 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.361 -10.107 2.713 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.854 -8.419 6.354 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.252 -11.642 2.592 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.716 -10.088 6.296 1.00 10.61 H new ATOM 0 HZ PHE A 4 8.071 -11.463 4.327 1.00 8.90 H new ATOM 76 N VAL A 5 1.119 -6.874 2.904 1.00 4.44 N ATOM 77 CA VAL A 5 -0.030 -5.942 3.134 1.00 3.87 C ATOM 78 C VAL A 5 -1.066 -6.543 4.008 1.00 4.93 C ATOM 79 O VAL A 5 -1.619 -7.595 3.698 1.00 6.84 O ATOM 80 CB VAL A 5 -0.598 -5.446 1.858 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.744 -4.443 2.124 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.442 -4.749 1.021 1.00 9.13 C ATOM 0 H VAL A 5 0.861 -7.736 2.424 1.00 4.44 H new ATOM 0 HA VAL A 5 0.363 -5.075 3.665 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.971 -6.319 1.322 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.147 -4.091 1.174 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.533 -4.935 2.693 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.361 -3.595 2.692 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.012 -4.399 0.094 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.842 -3.898 1.572 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.249 -5.444 0.790 1.00 9.13 H new ATOM 92 N LYS A 6 -1.422 -5.887 5.085 1.00 6.04 N ATOM 93 CA LYS A 6 -2.369 -6.384 5.980 1.00 6.12 C ATOM 94 C LYS A 6 -3.722 -5.665 5.846 1.00 6.57 C ATOM 95 O LYS A 6 -3.875 -4.480 5.966 1.00 5.76 O ATOM 96 CB LYS A 6 -1.874 -6.168 7.422 1.00 7.45 C ATOM 97 CG LYS A 6 -0.560 -6.846 7.680 1.00 11.12 C ATOM 98 CD LYS A 6 -0.535 -8.362 7.667 1.00 14.54 C ATOM 99 CE LYS A 6 0.720 -9.066 8.170 1.00 18.84 C ATOM 100 NZ LYS A 6 0.543 -10.563 8.343 1.00 20.55 N ATOM 0 H LYS A 6 -1.039 -4.978 5.345 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.502 -7.442 5.752 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.773 -5.100 7.613 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.620 -6.548 8.121 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.152 -6.492 6.934 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.196 -6.513 8.652 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.376 -8.714 8.264 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.712 -8.689 6.642 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.536 -8.883 7.471 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.014 -8.630 9.124 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.475 -11.024 8.352 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.054 -10.753 9.241 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.022 -10.939 7.555 1.00 20.55 H new ATOM 114 N THR A 7 -4.839 -6.408 5.698 1.00 7.41 N ATOM 115 CA THR A 7 -6.106 -5.843 5.455 1.00 7.48 C ATOM 116 C THR A 7 -6.937 -5.869 6.748 1.00 8.75 C ATOM 117 O THR A 7 -6.668 -6.585 7.718 1.00 8.58 O ATOM 118 CB THR A 7 -6.897 -6.507 4.286 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.482 -7.708 4.547 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.014 -6.739 3.032 1.00 9.17 C ATOM 0 H THR A 7 -4.845 -7.427 5.751 1.00 7.41 H new ATOM 0 HA THR A 7 -5.926 -4.817 5.134 1.00 7.48 H new ATOM 0 HB THR A 7 -7.683 -5.770 4.125 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.949 -8.026 3.746 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.611 -7.203 2.247 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.628 -5.783 2.677 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.181 -7.394 3.289 1.00 9.17 H new ATOM 128 N LEU A 8 -8.016 -5.024 6.752 1.00 9.84 N ATOM 129 CA LEU A 8 -8.998 -4.898 7.824 1.00 14.15 C ATOM 130 C LEU A 8 -9.636 -6.198 8.207 1.00 17.37 C ATOM 131 O LEU A 8 -10.034 -6.358 9.352 1.00 17.01 O ATOM 132 CB LEU A 8 -10.146 -3.994 7.359 1.00 16.63 C ATOM 133 CG LEU A 8 -9.828 -2.447 7.245 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.977 -1.586 6.693 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.378 -1.809 8.623 1.00 18.59 C ATOM 0 H LEU A 8 -8.212 -4.399 5.970 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.450 -4.500 8.678 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.483 -4.345 6.384 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.980 -4.120 8.049 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.009 -2.429 6.526 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.663 -0.543 6.653 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.237 -1.926 5.690 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.846 -1.678 7.344 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.174 -0.748 8.483 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.174 -1.931 9.358 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.476 -2.308 8.978 1.00 18.59 H new ATOM 147 N THR A 9 -9.732 -7.151 7.296 1.00 18.33 N ATOM 148 CA THR A 9 -10.361 -8.437 7.537 1.00 19.24 C ATOM 149 C THR A 9 -9.411 -9.461 8.142 1.00 19.48 C ATOM 150 O THR A 9 -9.850 -10.577 8.418 1.00 23.14 O ATOM 151 CB THR A 9 -11.071 -9.136 6.357 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.226 -9.214 5.233 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.327 -8.229 5.997 1.00 19.70 C ATOM 0 H THR A 9 -9.367 -7.050 6.349 1.00 18.33 H new ATOM 0 HA THR A 9 -11.141 -8.125 8.232 1.00 19.24 H new ATOM 0 HB THR A 9 -11.355 -10.152 6.631 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.697 -9.662 4.500 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.871 -8.675 5.165 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.984 -8.157 6.864 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.987 -7.232 5.716 1.00 19.70 H new ATOM 161 N GLY A 10 -8.169 -9.076 8.454 1.00 19.43 N ATOM 162 CA GLY A 10 -7.170 -10.002 9.043 1.00 18.74 C ATOM 163 C GLY A 10 -6.343 -10.627 7.995 1.00 17.62 C ATOM 164 O GLY A 10 -5.436 -11.422 8.329 1.00 19.74 O ATOM 0 H GLY A 10 -7.821 -8.128 8.311 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.531 -9.458 9.739 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.680 -10.775 9.617 1.00 18.74 H new ATOM 168 N LYS A 11 -6.587 -10.336 6.708 1.00 13.56 N ATOM 169 CA LYS A 11 -5.918 -10.965 5.587 1.00 11.91 C ATOM 170 C LYS A 11 -4.585 -10.355 5.209 1.00 10.18 C ATOM 171 O LYS A 11 -4.343 -9.150 5.491 1.00 9.10 O ATOM 172 CB LYS A 11 -6.855 -10.973 4.316 1.00 13.43 C ATOM 173 CG LYS A 11 -6.559 -11.911 3.071 1.00 16.69 C ATOM 174 CD LYS A 11 -7.678 -12.022 2.068 1.00 17.92 C ATOM 175 CE LYS A 11 -7.361 -13.080 1.068 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.375 -13.271 0.019 1.00 21.93 N ATOM 0 H LYS A 11 -7.274 -9.638 6.424 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.705 -11.978 5.929 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.859 -11.217 4.664 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.888 -9.950 3.941 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.671 -11.539 2.560 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.321 -12.910 3.438 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.612 -12.259 2.577 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.823 -11.066 1.565 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.411 -12.836 0.593 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.222 -14.025 1.593 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.969 -13.829 -0.759 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.194 -13.775 0.415 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.680 -12.345 -0.342 1.00 21.93 H new ATOM 190 N THR A 12 -3.686 -11.181 4.701 1.00 9.63 N ATOM 191 CA THR A 12 -2.357 -10.811 4.275 1.00 9.85 C ATOM 192 C THR A 12 -2.331 -10.882 2.752 1.00 11.66 C ATOM 193 O THR A 12 -2.578 -11.913 2.160 1.00 12.33 O ATOM 194 CB THR A 12 -1.242 -11.720 4.818 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.034 -11.588 6.212 1.00 10.91 O ATOM 196 CG2 THR A 12 0.130 -11.383 4.179 1.00 9.63 C ATOM 0 H THR A 12 -3.877 -12.174 4.570 1.00 9.63 H new ATOM 0 HA THR A 12 -2.158 -9.813 4.666 1.00 9.85 H new ATOM 0 HB THR A 12 -1.584 -12.726 4.573 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.716 -12.440 6.577 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.894 -12.045 4.587 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.071 -11.518 3.099 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.391 -10.348 4.402 1.00 9.63 H new ATOM 204 N ILE A 13 -1.963 -9.792 2.155 1.00 10.42 N ATOM 205 CA ILE A 13 -1.652 -9.728 0.731 1.00 11.84 C ATOM 206 C ILE A 13 -0.140 -9.699 0.499 1.00 10.55 C ATOM 207 O ILE A 13 0.600 -8.822 0.922 1.00 11.92 O ATOM 208 CB ILE A 13 -2.249 -8.595 -0.101 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.755 -8.254 0.200 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.118 -8.909 -1.637 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.298 -7.043 -0.547 1.00 16.46 C ATOM 0 H ILE A 13 -1.864 -8.898 2.637 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.139 -10.637 0.377 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.666 -7.721 0.189 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.366 -9.121 -0.050 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.867 -8.083 1.271 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.549 -8.091 -2.214 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.065 -9.021 -1.897 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.649 -9.833 -1.866 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.342 -6.886 -0.276 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.717 -6.160 -0.280 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.224 -7.215 -1.621 1.00 16.46 H new ATOM 223 N THR A 14 0.454 -10.718 -0.268 1.00 9.39 N ATOM 224 CA THR A 14 1.909 -10.793 -0.410 1.00 9.63 C ATOM 225 C THR A 14 2.280 -10.342 -1.762 1.00 11.20 C ATOM 226 O THR A 14 1.926 -10.830 -2.849 1.00 11.63 O ATOM 227 CB THR A 14 2.409 -12.201 -0.198 1.00 10.38 C ATOM 228 OG1 THR A 14 2.010 -12.735 1.068 1.00 16.30 O ATOM 229 CG2 THR A 14 3.962 -12.276 -0.229 1.00 11.66 C ATOM 0 H THR A 14 -0.063 -11.447 -0.759 1.00 9.39 H new ATOM 0 HA THR A 14 2.365 -10.154 0.346 1.00 9.63 H new ATOM 0 HB THR A 14 1.972 -12.777 -1.014 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.354 -13.648 1.161 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.280 -13.307 -0.072 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.324 -11.928 -1.196 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.373 -11.646 0.560 1.00 11.66 H new ATOM 237 N LEU A 15 3.136 -9.318 -1.935 1.00 8.29 N ATOM 238 CA LEU A 15 3.462 -8.637 -3.215 1.00 9.03 C ATOM 239 C LEU A 15 4.949 -8.561 -3.576 1.00 8.59 C ATOM 240 O LEU A 15 5.779 -8.341 -2.713 1.00 7.79 O ATOM 241 CB LEU A 15 3.116 -7.136 -3.074 1.00 11.08 C ATOM 242 CG LEU A 15 1.630 -6.831 -2.632 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.268 -5.320 -2.615 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.690 -7.484 -3.649 1.00 15.27 C ATOM 0 H LEU A 15 3.649 -8.918 -1.149 1.00 8.29 H new ATOM 0 HA LEU A 15 2.916 -9.219 -3.957 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.794 -6.689 -2.347 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.303 -6.644 -4.029 1.00 11.08 H new ATOM 0 HG LEU A 15 1.528 -7.215 -1.617 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.231 -5.198 -2.301 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.922 -4.797 -1.918 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.396 -4.904 -3.614 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.344 -7.288 -3.366 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.880 -7.070 -4.639 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.864 -8.560 -3.667 1.00 15.27 H new ATOM 256 N GLU A 16 5.295 -8.635 -4.870 1.00 11.04 N ATOM 257 CA GLU A 16 6.632 -8.316 -5.297 1.00 11.50 C ATOM 258 C GLU A 16 6.614 -6.963 -5.887 1.00 10.13 C ATOM 259 O GLU A 16 5.793 -6.693 -6.744 1.00 9.83 O ATOM 260 CB GLU A 16 7.067 -9.413 -6.357 1.00 17.22 C ATOM 261 CG GLU A 16 8.434 -9.184 -6.956 1.00 23.33 C ATOM 262 CD GLU A 16 9.570 -9.450 -5.988 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.422 -10.223 -5.011 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.675 -9.004 -6.295 1.00 28.86 O ATOM 0 H GLU A 16 4.662 -8.912 -5.620 1.00 11.04 H new ATOM 0 HA GLU A 16 7.345 -8.320 -4.472 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.051 -10.392 -5.878 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.330 -9.439 -7.160 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.552 -9.827 -7.828 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.500 -8.154 -7.308 1.00 23.33 H new ATOM 271 N VAL A 17 7.548 -6.123 -5.478 1.00 8.99 N ATOM 272 CA VAL A 17 7.491 -4.704 -5.789 1.00 8.85 C ATOM 273 C VAL A 17 8.877 -4.331 -6.072 1.00 8.04 C ATOM 274 O VAL A 17 9.830 -4.958 -5.648 1.00 8.99 O ATOM 275 CB VAL A 17 6.933 -3.837 -4.646 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.400 -4.232 -4.469 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.687 -3.948 -3.343 1.00 10.54 C ATOM 0 H VAL A 17 8.360 -6.400 -4.926 1.00 8.99 H new ATOM 0 HA VAL A 17 6.810 -4.532 -6.622 1.00 8.85 H new ATOM 0 HB VAL A 17 7.052 -2.789 -4.921 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.962 -3.640 -3.666 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.864 -4.036 -5.398 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.323 -5.291 -4.222 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.222 -3.303 -2.598 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.662 -4.981 -2.995 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.722 -3.641 -3.494 1.00 10.54 H new ATOM 287 N GLU A 18 9.080 -3.206 -6.815 1.00 7.29 N ATOM 288 CA GLU A 18 10.323 -2.533 -7.082 1.00 7.08 C ATOM 289 C GLU A 18 10.454 -1.426 -6.071 1.00 6.45 C ATOM 290 O GLU A 18 9.449 -0.911 -5.610 1.00 5.28 O ATOM 291 CB GLU A 18 10.401 -1.865 -8.492 1.00 10.28 C ATOM 292 CG GLU A 18 10.216 -2.836 -9.673 1.00 12.65 C ATOM 293 CD GLU A 18 11.315 -3.821 -9.872 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.451 -3.399 -10.120 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.101 -5.021 -9.842 1.00 18.17 O ATOM 0 H GLU A 18 8.297 -2.732 -7.265 1.00 7.29 H new ATOM 0 HA GLU A 18 11.110 -3.286 -7.033 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.639 -1.089 -8.554 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.368 -1.371 -8.593 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.284 -3.382 -9.529 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.105 -2.252 -10.587 1.00 12.65 H new ATOM 302 N PRO A 19 11.628 -0.992 -5.640 1.00 7.24 N ATOM 303 CA PRO A 19 11.772 0.074 -4.645 1.00 7.07 C ATOM 304 C PRO A 19 11.461 1.467 -5.262 1.00 6.65 C ATOM 305 O PRO A 19 11.234 2.449 -4.642 1.00 6.37 O ATOM 306 CB PRO A 19 13.197 -0.084 -4.195 1.00 7.61 C ATOM 307 CG PRO A 19 13.898 -0.793 -5.311 1.00 8.16 C ATOM 308 CD PRO A 19 12.872 -1.726 -5.840 1.00 7.49 C ATOM 0 HA PRO A 19 11.074 0.006 -3.811 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.655 0.885 -3.998 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.254 -0.657 -3.270 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.237 -0.096 -6.077 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.778 -1.328 -4.954 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.040 -1.957 -6.892 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.872 -2.674 -5.302 1.00 7.49 H new ATOM 316 N SER A 20 11.286 1.370 -6.587 1.00 6.80 N ATOM 317 CA SER A 20 11.120 2.440 -7.566 1.00 6.28 C ATOM 318 C SER A 20 9.646 2.526 -8.013 1.00 8.45 C ATOM 319 O SER A 20 9.277 3.396 -8.803 1.00 7.26 O ATOM 320 CB SER A 20 12.020 2.227 -8.795 1.00 8.57 C ATOM 321 OG SER A 20 11.775 0.927 -9.256 1.00 11.13 O ATOM 0 H SER A 20 11.255 0.455 -7.036 1.00 6.80 H new ATOM 0 HA SER A 20 11.414 3.374 -7.087 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.796 2.960 -9.570 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.070 2.352 -8.531 1.00 8.57 H new ATOM 0 HG SER A 20 12.330 0.749 -10.044 1.00 11.13 H new ATOM 327 N ASP A 21 8.762 1.599 -7.527 1.00 7.50 N ATOM 328 CA ASP A 21 7.354 1.681 -7.816 1.00 7.70 C ATOM 329 C ASP A 21 6.809 2.803 -7.065 1.00 7.08 C ATOM 330 O ASP A 21 7.221 3.099 -5.978 1.00 8.11 O ATOM 331 CB ASP A 21 6.734 0.339 -7.345 1.00 11.00 C ATOM 332 CG ASP A 21 6.940 -0.738 -8.385 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.172 -0.443 -9.575 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.726 -1.952 -8.032 1.00 14.36 O ATOM 0 H ASP A 21 9.029 0.807 -6.942 1.00 7.50 H new ATOM 0 HA ASP A 21 7.142 1.838 -8.874 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.189 0.033 -6.403 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.669 0.471 -7.157 1.00 11.00 H new ATOM 339 N THR A 22 5.766 3.460 -7.592 1.00 5.37 N ATOM 340 CA THR A 22 5.006 4.399 -6.734 1.00 6.01 C ATOM 341 C THR A 22 3.883 3.763 -5.912 1.00 8.01 C ATOM 342 O THR A 22 3.421 2.653 -6.163 1.00 8.11 O ATOM 343 CB THR A 22 4.420 5.548 -7.555 1.00 8.92 C ATOM 344 OG1 THR A 22 3.616 5.020 -8.604 1.00 10.22 O ATOM 345 CG2 THR A 22 5.658 6.212 -8.219 1.00 9.65 C ATOM 0 H THR A 22 5.437 3.373 -8.554 1.00 5.37 H new ATOM 0 HA THR A 22 5.748 4.765 -6.024 1.00 6.01 H new ATOM 0 HB THR A 22 3.822 6.224 -6.945 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.239 5.756 -9.129 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.335 7.053 -8.833 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.339 6.568 -7.446 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.170 5.482 -8.845 1.00 9.65 H new ATOM 353 N ILE A 23 3.421 4.483 -4.871 1.00 8.32 N ATOM 354 CA ILE A 23 2.321 3.997 -4.025 1.00 9.92 C ATOM 355 C ILE A 23 1.088 3.723 -4.861 1.00 10.01 C ATOM 356 O ILE A 23 0.476 2.674 -4.658 1.00 8.71 O ATOM 357 CB ILE A 23 1.982 4.930 -2.857 1.00 10.78 C ATOM 358 CG1 ILE A 23 2.862 4.514 -1.653 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.473 4.869 -2.398 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.411 4.772 -1.820 1.00 12.30 C ATOM 0 H ILE A 23 3.790 5.394 -4.600 1.00 8.32 H new ATOM 0 HA ILE A 23 2.673 3.068 -3.577 1.00 9.92 H new ATOM 0 HB ILE A 23 2.167 5.949 -3.198 1.00 10.78 H new ATOM 0 HG12 ILE A 23 2.515 5.051 -0.770 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.707 3.452 -1.462 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.317 5.558 -1.568 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.172 5.151 -3.230 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.231 3.856 -2.078 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.933 4.445 -0.921 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.782 4.213 -2.679 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.588 5.836 -1.976 1.00 12.30 H new ATOM 372 N GLU A 24 0.737 4.625 -5.795 1.00 9.54 N ATOM 373 CA GLU A 24 -0.311 4.495 -6.784 1.00 11.81 C ATOM 374 C GLU A 24 -0.280 3.096 -7.375 1.00 11.14 C ATOM 375 O GLU A 24 -1.297 2.371 -7.271 1.00 10.62 O ATOM 376 CB GLU A 24 -0.116 5.505 -8.021 1.00 19.24 C ATOM 377 CG GLU A 24 -1.286 5.461 -9.031 1.00 27.76 C ATOM 378 CD GLU A 24 -1.210 6.585 -10.067 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.144 6.617 -10.738 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.152 7.391 -10.212 1.00 34.80 O ATOM 0 H GLU A 24 1.220 5.520 -5.871 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.247 4.715 -6.271 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.011 6.521 -7.640 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.812 5.261 -8.538 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.283 4.499 -9.543 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.230 5.532 -8.491 1.00 27.76 H new ATOM 387 N ASN A 25 0.958 2.671 -7.754 1.00 9.43 N ATOM 388 CA ASN A 25 1.194 1.336 -8.400 1.00 10.96 C ATOM 389 C ASN A 25 0.908 0.208 -7.410 1.00 9.68 C ATOM 390 O ASN A 25 0.366 -0.825 -7.775 1.00 9.33 O ATOM 391 CB ASN A 25 2.592 1.284 -8.954 1.00 16.78 C ATOM 392 CG ASN A 25 2.699 0.080 -9.913 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.052 -1.049 -9.563 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.486 0.412 -11.178 1.00 24.70 N ATOM 0 H ASN A 25 1.805 3.225 -7.627 1.00 9.43 H new ATOM 0 HA ASN A 25 0.506 1.199 -9.235 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.824 2.209 -9.482 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.316 1.188 -8.145 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.613 -0.281 -11.916 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.195 1.361 -11.414 1.00 24.70 H new ATOM 401 N VAL A 26 1.306 0.314 -6.120 1.00 6.52 N ATOM 402 CA VAL A 26 1.137 -0.665 -5.083 1.00 5.53 C ATOM 403 C VAL A 26 -0.382 -0.823 -4.843 1.00 4.42 C ATOM 404 O VAL A 26 -0.921 -1.909 -4.849 1.00 3.40 O ATOM 405 CB VAL A 26 1.961 -0.352 -3.820 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.601 -1.372 -2.652 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.470 -0.476 -4.218 1.00 8.12 C ATOM 0 H VAL A 26 1.782 1.150 -5.780 1.00 6.52 H new ATOM 0 HA VAL A 26 1.543 -1.628 -5.394 1.00 5.53 H new ATOM 0 HB VAL A 26 1.741 0.650 -3.451 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.193 -1.136 -1.768 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.541 -1.291 -2.412 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.823 -2.389 -2.976 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.094 -0.262 -3.350 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.672 -1.488 -4.569 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.696 0.235 -5.012 1.00 8.12 H new ATOM 417 N LYS A 27 -1.130 0.293 -4.765 1.00 2.64 N ATOM 418 CA LYS A 27 -2.541 0.187 -4.576 1.00 4.14 C ATOM 419 C LYS A 27 -3.248 -0.556 -5.796 1.00 5.58 C ATOM 420 O LYS A 27 -4.115 -1.441 -5.668 1.00 4.11 O ATOM 421 CB LYS A 27 -3.186 1.568 -4.324 1.00 3.97 C ATOM 422 CG LYS A 27 -2.624 2.259 -3.036 1.00 7.45 C ATOM 423 CD LYS A 27 -3.402 3.574 -2.609 1.00 9.02 C ATOM 424 CE LYS A 27 -3.467 4.559 -3.774 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.253 5.768 -3.374 1.00 15.47 N ATOM 0 H LYS A 27 -0.769 1.245 -4.831 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.695 -0.422 -3.685 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.010 2.212 -5.186 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.266 1.451 -4.229 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.658 1.547 -2.211 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.575 2.508 -3.199 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.411 3.318 -2.285 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.903 4.039 -1.759 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.460 4.851 -4.072 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.930 4.083 -4.639 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.924 6.591 -3.918 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.262 5.606 -3.567 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.120 5.948 -2.358 1.00 15.47 H new ATOM 439 N ALA A 28 -2.789 -0.232 -7.052 1.00 6.61 N ATOM 440 CA ALA A 28 -3.225 -0.886 -8.277 1.00 7.74 C ATOM 441 C ALA A 28 -2.847 -2.352 -8.276 1.00 9.17 C ATOM 442 O ALA A 28 -3.689 -3.207 -8.597 1.00 11.45 O ATOM 443 CB ALA A 28 -2.770 -0.184 -9.572 1.00 7.68 C ATOM 0 H ALA A 28 -2.099 0.502 -7.213 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.312 -0.804 -8.280 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -3.139 -0.738 -10.435 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -3.168 0.830 -9.595 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.681 -0.147 -9.603 1.00 7.68 H new ATOM 449 N LYS A 29 -1.668 -2.743 -7.816 1.00 8.96 N ATOM 450 CA LYS A 29 -1.302 -4.156 -7.548 1.00 7.90 C ATOM 451 C LYS A 29 -2.157 -4.898 -6.541 1.00 6.92 C ATOM 452 O LYS A 29 -2.498 -6.089 -6.641 1.00 6.87 O ATOM 453 CB LYS A 29 0.186 -4.266 -7.127 1.00 10.28 C ATOM 454 CG LYS A 29 0.659 -5.728 -7.284 1.00 14.94 C ATOM 455 CD LYS A 29 2.173 -5.763 -7.157 1.00 19.69 C ATOM 456 CE LYS A 29 2.840 -5.752 -8.566 1.00 22.63 C ATOM 457 NZ LYS A 29 4.302 -5.442 -8.604 1.00 24.98 N ATOM 0 H LYS A 29 -0.914 -2.088 -7.610 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.490 -4.650 -8.501 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.799 -3.606 -7.742 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.307 -3.942 -6.093 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.201 -6.358 -6.522 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.351 -6.124 -8.252 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.515 -4.904 -6.580 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.477 -6.656 -6.611 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.685 -6.728 -9.026 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.319 -5.022 -9.185 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.654 -5.546 -9.577 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.458 -4.466 -8.281 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.812 -6.099 -7.980 1.00 24.98 H new ATOM 471 N ILE A 30 -2.626 -4.270 -5.466 1.00 4.57 N ATOM 472 CA ILE A 30 -3.646 -4.729 -4.544 1.00 5.58 C ATOM 473 C ILE A 30 -5.051 -4.844 -5.143 1.00 7.26 C ATOM 474 O ILE A 30 -5.854 -5.739 -4.848 1.00 9.46 O ATOM 475 CB ILE A 30 -3.606 -3.827 -3.338 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.326 -4.081 -2.528 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.852 -4.038 -2.456 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.103 -2.967 -1.491 1.00 2.00 C ATOM 0 H ILE A 30 -2.269 -3.352 -5.201 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.417 -5.758 -4.267 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.604 -2.793 -3.681 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.395 -5.045 -2.023 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.470 -4.134 -3.200 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.802 -3.377 -1.591 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.749 -3.813 -3.033 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.888 -5.074 -2.119 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.191 -3.169 -0.930 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.010 -2.008 -2.001 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.950 -2.933 -0.806 1.00 2.00 H new ATOM 490 N GLN A 31 -5.423 -3.935 -6.085 1.00 7.06 N ATOM 491 CA GLN A 31 -6.640 -4.099 -6.848 1.00 8.67 C ATOM 492 C GLN A 31 -6.505 -5.372 -7.740 1.00 10.90 C ATOM 493 O GLN A 31 -7.395 -6.253 -7.722 1.00 9.63 O ATOM 494 CB GLN A 31 -6.940 -2.850 -7.695 1.00 9.12 C ATOM 495 CG GLN A 31 -8.235 -2.885 -8.567 1.00 10.76 C ATOM 496 CD GLN A 31 -8.544 -1.617 -9.334 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.679 -1.043 -9.284 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.528 -1.129 -10.108 1.00 14.76 N ATOM 0 H GLN A 31 -4.888 -3.098 -6.315 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.481 -4.224 -6.166 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -7.005 -1.993 -7.025 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.090 -2.675 -8.355 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.150 -3.706 -9.278 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.082 -3.111 -7.919 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.628 -1.609 -10.130 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.670 -0.285 -10.663 1.00 14.76 H new ATOM 507 N ASP A 32 -5.390 -5.474 -8.487 1.00 10.93 N ATOM 508 CA ASP A 32 -5.033 -6.779 -9.038 1.00 14.01 C ATOM 509 C ASP A 32 -5.154 -7.992 -8.117 1.00 14.04 C ATOM 510 O ASP A 32 -5.824 -8.923 -8.534 1.00 13.39 O ATOM 511 CB ASP A 32 -3.630 -6.672 -9.750 1.00 18.01 C ATOM 512 CG ASP A 32 -3.339 -7.817 -10.673 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.111 -8.080 -11.627 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.316 -8.547 -10.386 1.00 25.17 O ATOM 0 H ASP A 32 -4.755 -4.708 -8.711 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.812 -7.009 -9.765 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.588 -5.741 -10.315 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.849 -6.620 -8.991 1.00 18.01 H new ATOM 519 N LYS A 33 -4.536 -8.035 -6.961 1.00 14.22 N ATOM 520 CA LYS A 33 -4.682 -9.105 -6.018 1.00 14.00 C ATOM 521 C LYS A 33 -6.010 -9.372 -5.451 1.00 12.37 C ATOM 522 O LYS A 33 -6.495 -10.519 -5.500 1.00 12.17 O ATOM 523 CB LYS A 33 -3.728 -8.978 -4.791 1.00 18.62 C ATOM 524 CG LYS A 33 -2.269 -9.223 -5.113 1.00 24.00 C ATOM 525 CD LYS A 33 -2.042 -10.750 -5.077 1.00 27.61 C ATOM 526 CE LYS A 33 -0.610 -11.319 -5.227 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.581 -12.742 -4.964 1.00 30.06 N ATOM 0 H LYS A 33 -3.900 -7.302 -6.646 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.437 -9.935 -6.680 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.832 -7.980 -4.365 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.043 -9.686 -4.025 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.019 -8.820 -6.095 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.626 -8.722 -4.390 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.440 -11.116 -4.130 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.650 -11.188 -5.868 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.243 -11.125 -6.235 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.062 -10.806 -4.539 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.391 -13.095 -5.072 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.909 -12.922 -3.994 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.204 -13.232 -5.637 1.00 30.06 H new ATOM 541 N GLU A 34 -6.724 -8.353 -4.858 1.00 10.11 N ATOM 542 CA GLU A 34 -7.902 -8.590 -4.036 1.00 10.07 C ATOM 543 C GLU A 34 -9.098 -7.773 -4.489 1.00 9.32 C ATOM 544 O GLU A 34 -10.125 -7.840 -3.799 1.00 11.61 O ATOM 545 CB GLU A 34 -7.746 -8.248 -2.528 1.00 14.77 C ATOM 546 CG GLU A 34 -6.927 -9.258 -1.686 1.00 18.75 C ATOM 547 CD GLU A 34 -7.596 -10.630 -1.735 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.774 -10.843 -1.300 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.899 -11.548 -2.223 1.00 25.19 O ATOM 0 H GLU A 34 -6.479 -7.367 -4.953 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.044 -9.664 -4.161 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.275 -7.269 -2.444 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.740 -8.162 -2.090 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.909 -9.325 -2.070 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.857 -8.914 -0.654 1.00 18.75 H new ATOM 556 N GLY A 35 -9.039 -7.007 -5.619 1.00 7.22 N ATOM 557 CA GLY A 35 -10.274 -6.449 -6.157 1.00 6.29 C ATOM 558 C GLY A 35 -10.578 -5.061 -5.654 1.00 6.93 C ATOM 559 O GLY A 35 -11.575 -4.493 -6.009 1.00 7.41 O ATOM 0 H GLY A 35 -8.189 -6.782 -6.136 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.209 -6.426 -7.245 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.103 -7.109 -5.901 1.00 6.29 H new ATOM 563 N ILE A 36 -9.782 -4.552 -4.702 1.00 5.86 N ATOM 564 CA ILE A 36 -10.082 -3.359 -3.882 1.00 6.07 C ATOM 565 C ILE A 36 -9.863 -2.023 -4.619 1.00 6.36 C ATOM 566 O ILE A 36 -8.744 -1.814 -5.073 1.00 6.18 O ATOM 567 CB ILE A 36 -9.305 -3.304 -2.527 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.571 -4.601 -1.722 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.800 -2.056 -1.699 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.636 -5.003 -0.630 1.00 9.49 C ATOM 0 H ILE A 36 -8.881 -4.970 -4.471 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.145 -3.479 -3.673 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.236 -3.216 -2.720 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.565 -4.513 -1.283 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.610 -5.424 -2.436 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.262 -2.011 -0.752 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.612 -1.145 -2.267 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.869 -2.149 -1.505 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.981 -5.934 -0.180 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.637 -5.147 -1.041 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.606 -4.222 0.130 1.00 9.49 H new ATOM 582 N PRO A 37 -10.803 -1.131 -4.815 1.00 8.65 N ATOM 583 CA PRO A 37 -10.543 0.105 -5.595 1.00 9.18 C ATOM 584 C PRO A 37 -9.380 1.029 -5.050 1.00 9.85 C ATOM 585 O PRO A 37 -9.295 1.256 -3.842 1.00 8.51 O ATOM 586 CB PRO A 37 -11.890 0.778 -5.492 1.00 11.42 C ATOM 587 CG PRO A 37 -12.886 -0.387 -5.393 1.00 9.27 C ATOM 588 CD PRO A 37 -12.220 -1.329 -4.419 1.00 8.33 C ATOM 0 HA PRO A 37 -10.186 -0.107 -6.603 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.946 1.425 -4.617 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.091 1.401 -6.363 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.859 -0.055 -5.031 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.051 -0.859 -6.361 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.406 -1.057 -3.380 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.549 -2.361 -4.543 1.00 8.33 H new ATOM 596 N PRO A 38 -8.417 1.602 -5.793 1.00 8.71 N ATOM 597 CA PRO A 38 -7.260 2.378 -5.246 1.00 9.08 C ATOM 598 C PRO A 38 -7.517 3.719 -4.657 1.00 9.28 C ATOM 599 O PRO A 38 -6.640 4.235 -4.009 1.00 6.50 O ATOM 600 CB PRO A 38 -6.426 2.572 -6.483 1.00 10.31 C ATOM 601 CG PRO A 38 -6.617 1.348 -7.402 1.00 10.81 C ATOM 602 CD PRO A 38 -8.097 1.085 -7.148 1.00 12.00 C ATOM 0 HA PRO A 38 -6.842 1.831 -4.401 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.724 3.484 -7.001 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.375 2.685 -6.217 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.402 1.569 -8.447 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.985 0.506 -7.118 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.709 1.580 -7.902 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.313 0.019 -7.212 1.00 12.00 H new ATOM 610 N ASP A 39 -8.728 4.283 -5.076 1.00 11.20 N ATOM 611 CA ASP A 39 -9.287 5.493 -4.626 1.00 14.96 C ATOM 612 C ASP A 39 -10.087 5.293 -3.354 1.00 13.99 C ATOM 613 O ASP A 39 -10.612 6.211 -2.738 1.00 13.75 O ATOM 614 CB ASP A 39 -10.146 6.109 -5.721 1.00 24.16 C ATOM 615 CG ASP A 39 -9.252 6.425 -6.959 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.272 7.122 -6.700 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.475 5.951 -8.093 1.00 35.55 O ATOM 0 H ASP A 39 -9.315 3.826 -5.774 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.474 6.180 -4.392 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.946 5.423 -6.001 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.620 7.021 -5.358 1.00 24.16 H new ATOM 622 N GLN A 40 -10.244 4.040 -2.902 1.00 11.60 N ATOM 623 CA GLN A 40 -10.781 3.753 -1.620 1.00 10.76 C ATOM 624 C GLN A 40 -9.610 3.431 -0.728 1.00 8.01 C ATOM 625 O GLN A 40 -9.672 3.807 0.418 1.00 8.96 O ATOM 626 CB GLN A 40 -11.742 2.497 -1.679 1.00 11.14 C ATOM 627 CG GLN A 40 -12.558 2.189 -0.441 1.00 14.85 C ATOM 628 CD GLN A 40 -12.934 0.780 -0.351 1.00 16.11 C ATOM 629 OE1 GLN A 40 -12.451 -0.110 -1.048 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.899 0.463 0.564 1.00 18.16 N ATOM 0 H GLN A 40 -9.992 3.212 -3.441 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.359 4.601 -1.253 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.432 2.639 -2.511 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.138 1.620 -1.912 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.986 2.466 0.445 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.459 2.802 -0.443 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.307 1.193 1.148 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.211 -0.503 0.663 1.00 18.16 H new ATOM 639 N GLN A 41 -8.567 2.657 -1.199 1.00 6.52 N ATOM 640 CA GLN A 41 -7.405 2.241 -0.384 1.00 3.87 C ATOM 641 C GLN A 41 -6.479 3.395 0.178 1.00 4.79 C ATOM 642 O GLN A 41 -6.132 4.382 -0.449 1.00 6.34 O ATOM 643 CB GLN A 41 -6.530 1.407 -1.322 1.00 4.20 C ATOM 644 CG GLN A 41 -7.120 0.032 -1.761 1.00 3.20 C ATOM 645 CD GLN A 41 -6.075 -0.700 -2.601 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.951 -0.786 -2.168 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.516 -1.304 -3.746 1.00 7.13 N ATOM 0 H GLN A 41 -8.527 2.314 -2.159 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.808 1.736 0.494 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.327 1.995 -2.217 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.572 1.230 -0.832 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.386 -0.562 -0.887 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.034 0.179 -2.337 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.483 -1.183 -4.047 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.878 -1.876 -4.299 1.00 7.13 H new ATOM 656 N ARG A 42 -6.036 3.204 1.434 1.00 5.73 N ATOM 657 CA ARG A 42 -5.018 4.021 2.057 1.00 6.97 C ATOM 658 C ARG A 42 -3.913 3.110 2.619 1.00 7.15 C ATOM 659 O ARG A 42 -4.190 2.117 3.314 1.00 7.33 O ATOM 660 CB ARG A 42 -5.581 4.922 3.173 1.00 13.23 C ATOM 661 CG ARG A 42 -6.384 6.079 2.568 1.00 21.27 C ATOM 662 CD ARG A 42 -6.996 6.897 3.633 1.00 26.14 C ATOM 663 NE ARG A 42 -7.569 8.106 2.919 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.920 9.216 3.593 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.849 9.238 4.900 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.318 10.348 2.987 1.00 36.39 N ATOM 0 H ARG A 42 -6.390 2.464 2.040 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.611 4.684 1.294 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.217 4.336 3.836 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.765 5.315 3.779 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.732 6.700 1.954 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.161 5.686 1.912 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.774 6.343 4.158 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.257 7.192 4.378 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.691 8.077 1.907 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.528 8.414 5.407 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.115 10.080 5.411 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.364 10.392 1.969 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.574 11.163 3.545 1.00 36.39 H new ATOM 680 N LEU A 43 -2.629 3.376 2.328 1.00 4.65 N ATOM 681 CA LEU A 43 -1.512 2.574 2.698 1.00 3.51 C ATOM 682 C LEU A 43 -0.804 3.323 3.906 1.00 5.56 C ATOM 683 O LEU A 43 -0.392 4.509 3.835 1.00 4.19 O ATOM 684 CB LEU A 43 -0.513 2.280 1.547 1.00 3.74 C ATOM 685 CG LEU A 43 -1.068 1.331 0.436 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.077 1.064 -0.613 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.633 0.080 1.015 1.00 6.41 C ATOM 0 H LEU A 43 -2.357 4.205 1.800 1.00 4.65 H new ATOM 0 HA LEU A 43 -1.869 1.584 2.980 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.219 3.224 1.088 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.389 1.836 1.969 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.902 1.808 -0.079 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.294 0.403 -1.396 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.393 2.009 -1.055 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.925 0.595 -0.114 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.009 -0.555 0.213 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.855 -0.451 1.563 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.449 0.329 1.693 1.00 6.41 H new ATOM 699 N ILE A 44 -0.777 2.630 5.095 1.00 4.58 N ATOM 700 CA ILE A 44 -0.300 3.084 6.412 1.00 5.55 C ATOM 701 C ILE A 44 0.983 2.361 6.821 1.00 5.46 C ATOM 702 O ILE A 44 1.060 1.160 6.828 1.00 6.04 O ATOM 703 CB ILE A 44 -1.273 2.858 7.499 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.628 3.508 7.130 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.691 3.372 8.828 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.688 5.053 6.959 1.00 13.90 C ATOM 0 H ILE A 44 -1.118 1.670 5.139 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.136 4.154 6.287 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.463 1.793 7.630 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.969 3.058 6.198 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.349 3.231 7.899 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.411 3.204 9.629 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.232 2.838 9.052 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.482 4.439 8.745 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.704 5.351 6.702 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.394 5.534 7.892 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.008 5.358 6.164 1.00 13.90 H new ATOM 718 N PHE A 45 2.001 3.067 7.190 1.00 6.75 N ATOM 719 CA PHE A 45 3.156 2.439 7.672 1.00 4.70 C ATOM 720 C PHE A 45 3.747 3.374 8.684 1.00 6.34 C ATOM 721 O PHE A 45 3.797 4.588 8.430 1.00 5.45 O ATOM 722 CB PHE A 45 4.087 2.225 6.444 1.00 5.51 C ATOM 723 CG PHE A 45 5.522 1.978 6.741 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.945 0.731 7.302 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.556 2.948 6.542 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.252 0.486 7.580 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.861 2.750 6.941 1.00 6.64 C ATOM 728 CZ PHE A 45 8.224 1.504 7.483 1.00 6.84 C ATOM 0 H PHE A 45 2.042 4.086 7.161 1.00 6.75 H new ATOM 0 HA PHE A 45 2.983 1.473 8.146 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.706 1.381 5.869 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.017 3.104 5.804 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.209 -0.032 7.509 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.302 3.879 6.056 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.553 -0.507 7.881 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.592 3.538 6.839 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.235 1.329 7.821 1.00 6.84 H new ATOM 738 N ALA A 46 4.162 2.852 9.915 1.00 6.53 N ATOM 739 CA ALA A 46 4.850 3.567 11.000 1.00 7.15 C ATOM 740 C ALA A 46 4.212 4.884 11.464 1.00 9.00 C ATOM 741 O ALA A 46 4.890 5.915 11.535 1.00 11.15 O ATOM 742 CB ALA A 46 6.366 3.683 10.729 1.00 8.99 C ATOM 0 H ALA A 46 4.001 1.873 10.152 1.00 6.53 H new ATOM 0 HA ALA A 46 4.710 2.929 11.873 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.843 4.217 11.551 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.798 2.686 10.645 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.529 4.228 9.799 1.00 8.99 H new ATOM 748 N GLY A 47 2.882 4.832 11.809 1.00 9.35 N ATOM 749 CA GLY A 47 2.156 5.987 12.259 1.00 11.68 C ATOM 750 C GLY A 47 1.833 7.012 11.239 1.00 11.14 C ATOM 751 O GLY A 47 1.237 8.068 11.558 1.00 13.93 O ATOM 0 H GLY A 47 2.323 3.980 11.770 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.222 5.648 12.707 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.734 6.465 13.050 1.00 11.68 H new ATOM 755 N LYS A 48 2.144 6.745 9.963 1.00 10.47 N ATOM 756 CA LYS A 48 1.970 7.751 8.946 1.00 8.82 C ATOM 757 C LYS A 48 1.340 7.172 7.693 1.00 7.68 C ATOM 758 O LYS A 48 1.290 5.971 7.465 1.00 6.47 O ATOM 759 CB LYS A 48 3.348 8.492 8.770 1.00 9.74 C ATOM 760 CG LYS A 48 4.473 7.610 8.276 1.00 14.14 C ATOM 761 CD LYS A 48 5.663 8.433 7.876 1.00 16.32 C ATOM 762 CE LYS A 48 6.893 7.591 7.806 1.00 20.04 C ATOM 763 NZ LYS A 48 8.120 8.426 7.567 1.00 23.92 N ATOM 0 H LYS A 48 2.510 5.853 9.630 1.00 10.47 H new ATOM 0 HA LYS A 48 1.245 8.512 9.236 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.216 9.318 8.071 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.637 8.928 9.726 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.759 6.906 9.058 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.131 7.020 7.425 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.480 8.898 6.907 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.810 9.240 8.594 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.007 7.033 8.736 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.789 6.859 7.006 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.956 7.809 7.524 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.021 8.939 6.668 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.232 9.108 8.344 1.00 23.92 H new ATOM 777 N GLN A 49 0.768 8.069 6.845 1.00 8.89 N ATOM 778 CA GLN A 49 0.059 7.667 5.611 1.00 7.18 C ATOM 779 C GLN A 49 0.973 7.998 4.436 1.00 8.23 C ATOM 780 O GLN A 49 1.403 9.156 4.152 1.00 9.70 O ATOM 781 CB GLN A 49 -1.290 8.328 5.413 1.00 11.67 C ATOM 782 CG GLN A 49 -2.067 7.916 4.163 1.00 15.82 C ATOM 783 CD GLN A 49 -3.349 8.809 4.025 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.608 9.426 2.986 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.160 8.821 5.135 1.00 20.67 N ATOM 0 H GLN A 49 0.787 9.077 6.999 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.158 6.602 5.688 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.907 8.115 6.286 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.141 9.407 5.384 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.438 8.025 3.279 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.348 6.865 4.227 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.895 8.292 5.966 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.027 9.359 5.128 1.00 20.67 H new ATOM 794 N LEU A 50 1.349 7.012 3.676 1.00 6.51 N ATOM 795 CA LEU A 50 2.274 7.193 2.516 1.00 7.41 C ATOM 796 C LEU A 50 1.509 7.784 1.285 1.00 8.27 C ATOM 797 O LEU A 50 0.294 7.624 1.195 1.00 8.34 O ATOM 798 CB LEU A 50 3.089 5.881 2.119 1.00 7.13 C ATOM 799 CG LEU A 50 3.561 4.997 3.262 1.00 7.53 C ATOM 800 CD1 LEU A 50 4.335 3.732 2.698 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.409 5.698 4.315 1.00 9.11 C ATOM 0 H LEU A 50 1.043 6.049 3.814 1.00 6.51 H new ATOM 0 HA LEU A 50 3.028 7.909 2.844 1.00 7.41 H new ATOM 0 HB2 LEU A 50 2.464 5.279 1.459 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.962 6.185 1.541 1.00 7.13 H new ATOM 0 HG LEU A 50 2.650 4.694 3.778 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.667 3.109 3.528 1.00 8.14 H new ATOM 0 HD12 LEU A 50 3.670 3.156 2.055 1.00 8.14 H new ATOM 0 HD13 LEU A 50 5.201 4.062 2.123 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.695 4.983 5.086 1.00 9.11 H new ATOM 0 HD22 LEU A 50 5.305 6.106 3.848 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.834 6.507 4.765 1.00 9.11 H new ATOM 813 N GLU A 51 2.166 8.571 0.412 1.00 9.43 N ATOM 814 CA GLU A 51 1.490 9.404 -0.568 1.00 11.90 C ATOM 815 C GLU A 51 1.646 8.817 -2.017 1.00 11.49 C ATOM 816 O GLU A 51 2.730 8.524 -2.506 1.00 9.88 O ATOM 817 CB GLU A 51 2.120 10.788 -0.690 1.00 16.56 C ATOM 818 CG GLU A 51 1.805 11.646 0.568 1.00 26.06 C ATOM 819 CD GLU A 51 2.364 13.026 0.355 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.782 13.431 -0.753 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.389 13.783 1.336 1.00 32.13 O ATOM 0 H GLU A 51 3.183 8.638 0.376 1.00 9.43 H new ATOM 0 HA GLU A 51 0.457 9.446 -0.222 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.199 10.693 -0.811 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.742 11.288 -1.582 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.729 11.694 0.734 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.244 11.192 1.456 1.00 26.06 H new ATOM 828 N ASP A 52 0.496 8.696 -2.706 1.00 12.71 N ATOM 829 CA ASP A 52 0.276 8.209 -4.007 1.00 16.56 C ATOM 830 C ASP A 52 1.386 8.186 -5.107 1.00 15.83 C ATOM 831 O ASP A 52 1.758 7.130 -5.545 1.00 17.21 O ATOM 832 CB ASP A 52 -0.875 9.044 -4.669 1.00 21.05 C ATOM 833 CG ASP A 52 -2.105 8.986 -3.878 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.757 7.948 -3.883 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.473 9.926 -3.125 1.00 25.82 O ATOM 0 H ASP A 52 -0.384 8.983 -2.277 1.00 12.71 H new ATOM 0 HA ASP A 52 0.115 7.159 -3.763 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.558 10.082 -4.775 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.069 8.666 -5.673 1.00 21.05 H new ATOM 840 N GLY A 53 1.826 9.384 -5.551 1.00 15.00 N ATOM 841 CA GLY A 53 2.797 9.669 -6.604 1.00 11.77 C ATOM 842 C GLY A 53 4.215 9.409 -6.320 1.00 11.10 C ATOM 843 O GLY A 53 5.025 9.530 -7.245 1.00 11.25 O ATOM 0 H GLY A 53 1.472 10.247 -5.137 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.519 9.086 -7.482 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.697 10.720 -6.875 1.00 11.77 H new ATOM 847 N ARG A 54 4.628 9.104 -5.092 1.00 8.53 N ATOM 848 CA ARG A 54 6.012 8.942 -4.663 1.00 9.05 C ATOM 849 C ARG A 54 6.333 7.444 -4.497 1.00 8.96 C ATOM 850 O ARG A 54 5.467 6.581 -4.393 1.00 11.60 O ATOM 851 CB ARG A 54 6.379 9.715 -3.371 1.00 7.97 C ATOM 852 CG ARG A 54 5.769 11.109 -3.203 1.00 9.62 C ATOM 853 CD ARG A 54 6.313 11.874 -2.016 1.00 12.20 C ATOM 854 NE ARG A 54 5.442 13.015 -1.663 1.00 18.23 N ATOM 855 CZ ARG A 54 5.810 14.269 -1.444 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.942 14.764 -1.900 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.998 15.009 -0.640 1.00 23.38 N ATOM 0 H ARG A 54 3.968 8.955 -4.329 1.00 8.53 H new ATOM 0 HA ARG A 54 6.625 9.382 -5.450 1.00 9.05 H new ATOM 0 HB2 ARG A 54 6.080 9.108 -2.516 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.464 9.812 -3.330 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.950 11.686 -4.110 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.688 11.012 -3.097 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.403 11.205 -1.160 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.315 12.237 -2.244 1.00 12.20 H new ATOM 0 HE ARG A 54 4.445 12.814 -1.578 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.573 14.176 -2.444 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.188 15.735 -1.709 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.157 14.592 -0.242 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.231 15.981 -0.436 1.00 23.38 H new ATOM 871 N THR A 55 7.631 7.154 -4.553 1.00 9.05 N ATOM 872 CA THR A 55 8.217 5.823 -4.553 1.00 9.03 C ATOM 873 C THR A 55 8.268 5.154 -3.236 1.00 8.15 C ATOM 874 O THR A 55 8.253 5.778 -2.192 1.00 5.91 O ATOM 875 CB THR A 55 9.475 5.676 -5.453 1.00 11.15 C ATOM 876 OG1 THR A 55 10.668 6.156 -4.808 1.00 11.95 O ATOM 877 CG2 THR A 55 9.392 6.294 -6.876 1.00 11.71 C ATOM 0 H THR A 55 8.339 7.886 -4.602 1.00 9.05 H new ATOM 0 HA THR A 55 7.481 5.209 -5.073 1.00 9.03 H new ATOM 0 HB THR A 55 9.519 4.597 -5.599 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.711 7.132 -4.884 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.332 6.124 -7.402 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.577 5.826 -7.429 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.209 7.366 -6.797 1.00 11.71 H new ATOM 885 N LEU A 56 8.340 3.788 -3.239 1.00 6.91 N ATOM 886 CA LEU A 56 8.683 3.094 -2.013 1.00 8.29 C ATOM 887 C LEU A 56 10.026 3.592 -1.347 1.00 8.05 C ATOM 888 O LEU A 56 10.077 3.809 -0.147 1.00 10.17 O ATOM 889 CB LEU A 56 8.732 1.543 -2.288 1.00 6.60 C ATOM 890 CG LEU A 56 7.437 1.047 -3.047 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.374 -0.493 -3.139 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.115 1.536 -2.427 1.00 8.64 C ATOM 0 H LEU A 56 8.170 3.192 -4.049 1.00 6.91 H new ATOM 0 HA LEU A 56 7.902 3.324 -1.288 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.615 1.305 -2.881 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.828 1.008 -1.343 1.00 6.60 H new ATOM 0 HG LEU A 56 7.534 1.488 -4.039 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.468 -0.789 -3.668 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.246 -0.861 -3.679 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.363 -0.917 -2.135 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.277 1.151 -3.008 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.040 1.178 -1.400 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.091 2.626 -2.434 1.00 8.64 H new ATOM 904 N SER A 57 11.068 3.766 -2.171 1.00 8.92 N ATOM 905 CA SER A 57 12.427 4.126 -1.754 1.00 9.00 C ATOM 906 C SER A 57 12.542 5.582 -1.240 1.00 9.44 C ATOM 907 O SER A 57 13.420 5.883 -0.435 1.00 10.91 O ATOM 908 CB SER A 57 13.422 4.062 -2.878 1.00 10.32 C ATOM 909 OG SER A 57 14.804 4.045 -2.397 1.00 13.59 O ATOM 0 H SER A 57 10.983 3.656 -3.181 1.00 8.92 H new ATOM 0 HA SER A 57 12.639 3.397 -0.972 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.236 3.169 -3.474 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.279 4.919 -3.536 1.00 10.32 H new ATOM 0 HG SER A 57 15.416 4.002 -3.161 1.00 13.59 H new ATOM 915 N ASP A 58 11.520 6.487 -1.537 1.00 9.11 N ATOM 916 CA ASP A 58 11.358 7.766 -0.894 1.00 7.91 C ATOM 917 C ASP A 58 10.927 7.568 0.521 1.00 9.12 C ATOM 918 O ASP A 58 11.168 8.409 1.381 1.00 8.61 O ATOM 919 CB ASP A 58 10.313 8.685 -1.687 1.00 8.41 C ATOM 920 CG ASP A 58 10.906 8.979 -3.083 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.015 9.446 -3.066 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.252 8.587 -4.148 1.00 11.70 O ATOM 0 H ASP A 58 10.807 6.299 -2.242 1.00 9.11 H new ATOM 0 HA ASP A 58 12.317 8.283 -0.902 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.352 8.178 -1.779 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.133 9.614 -1.145 1.00 8.41 H new ATOM 927 N TYR A 59 10.291 6.450 0.864 1.00 7.97 N ATOM 928 CA TYR A 59 9.942 6.133 2.264 1.00 8.45 C ATOM 929 C TYR A 59 10.875 5.126 2.957 1.00 10.98 C ATOM 930 O TYR A 59 10.653 4.659 4.070 1.00 12.95 O ATOM 931 CB TYR A 59 8.474 5.630 2.320 1.00 7.94 C ATOM 932 CG TYR A 59 7.615 6.772 1.919 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.310 7.770 2.874 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.974 6.877 0.648 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.373 8.772 2.660 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.976 7.787 0.470 1.00 6.52 C ATOM 937 CZ TYR A 59 5.691 8.811 1.428 1.00 6.76 C ATOM 938 OH TYR A 59 4.784 9.876 1.187 1.00 7.63 O ATOM 0 H TYR A 59 10.001 5.739 0.193 1.00 7.97 H new ATOM 0 HA TYR A 59 10.066 7.060 2.823 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.329 4.783 1.649 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.220 5.289 3.324 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.833 7.752 3.819 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.279 6.239 -0.168 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.171 9.508 3.424 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.378 7.734 -0.428 1.00 6.52 H new ATOM 0 HH TYR A 59 5.075 10.382 0.400 1.00 7.63 H new ATOM 948 N ASN A 60 11.961 4.808 2.217 1.00 12.38 N ATOM 949 CA ASN A 60 13.025 3.909 2.650 1.00 13.94 C ATOM 950 C ASN A 60 12.519 2.585 3.206 1.00 14.16 C ATOM 951 O ASN A 60 13.081 2.052 4.174 1.00 14.26 O ATOM 952 CB ASN A 60 13.936 4.508 3.721 1.00 19.23 C ATOM 953 CG ASN A 60 14.589 5.796 3.210 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.009 6.872 3.501 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.750 5.739 2.496 1.00 24.09 N ATOM 0 H ASN A 60 12.114 5.185 1.282 1.00 12.38 H new ATOM 0 HA ASN A 60 13.583 3.743 1.728 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.359 4.718 4.622 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.706 3.787 3.997 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.191 6.599 2.170 1.00 24.09 H new ATOM 0 HD22 ASN A 60 16.177 4.836 2.289 1.00 24.09 H new ATOM 962 N ILE A 61 11.440 2.066 2.724 1.00 11.08 N ATOM 963 CA ILE A 61 10.853 0.725 3.055 1.00 11.78 C ATOM 964 C ILE A 61 11.864 -0.389 2.782 1.00 13.74 C ATOM 965 O ILE A 61 12.595 -0.292 1.834 1.00 14.60 O ATOM 966 CB ILE A 61 9.558 0.418 2.279 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.707 1.665 2.218 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.805 -0.717 2.925 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.405 1.419 1.417 1.00 11.42 C ATOM 0 H ILE A 61 10.875 2.567 2.038 1.00 11.08 H new ATOM 0 HA ILE A 61 10.604 0.765 4.115 1.00 11.78 H new ATOM 0 HB ILE A 61 9.811 0.109 1.265 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.459 1.988 3.229 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.274 2.473 1.755 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.894 -0.917 2.361 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.430 -1.610 2.934 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.546 -0.446 3.948 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.815 2.335 1.392 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.655 1.120 0.399 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.827 0.628 1.896 1.00 11.42 H new ATOM 981 N GLN A 62 11.975 -1.416 3.662 1.00 13.97 N ATOM 982 CA GLN A 62 12.925 -2.481 3.525 1.00 15.52 C ATOM 983 C GLN A 62 12.221 -3.677 3.129 1.00 13.94 C ATOM 984 O GLN A 62 10.998 -3.770 3.305 1.00 12.15 O ATOM 985 CB GLN A 62 13.717 -2.570 4.867 1.00 19.53 C ATOM 986 CG GLN A 62 14.418 -1.243 5.195 1.00 26.38 C ATOM 987 CD GLN A 62 15.583 -0.818 4.175 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.741 -1.258 4.299 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.188 -0.047 3.143 1.00 32.71 N ATOM 0 H GLN A 62 11.385 -1.503 4.490 1.00 13.97 H new ATOM 0 HA GLN A 62 13.665 -2.317 2.742 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.036 -2.833 5.676 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.457 -3.368 4.802 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.670 -0.451 5.218 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.841 -1.311 6.197 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.225 0.285 3.094 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.852 0.205 2.411 1.00 32.71 H new ATOM 998 N LYS A 63 12.975 -4.700 2.603 1.00 11.73 N ATOM 999 CA LYS A 63 12.544 -5.964 2.085 1.00 11.97 C ATOM 1000 C LYS A 63 11.829 -6.726 3.230 1.00 10.41 C ATOM 1001 O LYS A 63 12.250 -6.756 4.383 1.00 9.59 O ATOM 1002 CB LYS A 63 13.736 -6.787 1.489 1.00 13.73 C ATOM 1003 CG LYS A 63 14.707 -7.309 2.545 1.00 16.98 C ATOM 1004 CD LYS A 63 15.931 -8.071 1.899 1.00 20.19 C ATOM 1005 CE LYS A 63 15.583 -9.333 1.085 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.495 -10.509 1.894 1.00 25.97 N ATOM 0 H LYS A 63 13.989 -4.610 2.545 1.00 11.73 H new ATOM 0 HA LYS A 63 11.853 -5.809 1.257 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.338 -7.630 0.925 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.282 -6.161 0.783 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.074 -6.475 3.144 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.179 -7.980 3.223 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.464 -7.378 1.248 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.620 -8.354 2.695 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.633 -9.179 0.573 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.340 -9.483 0.315 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.226 -11.319 1.300 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.417 -10.696 2.337 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.778 -10.368 2.634 1.00 25.97 H new ATOM 1020 N GLU A 64 10.683 -7.408 2.984 1.00 10.04 N ATOM 1021 CA GLU A 64 9.933 -8.202 3.935 1.00 10.94 C ATOM 1022 C GLU A 64 9.368 -7.375 5.139 1.00 9.74 C ATOM 1023 O GLU A 64 9.253 -7.772 6.312 1.00 9.42 O ATOM 1024 CB GLU A 64 10.878 -9.359 4.484 1.00 18.31 C ATOM 1025 CG GLU A 64 11.444 -10.301 3.374 1.00 24.16 C ATOM 1026 CD GLU A 64 12.581 -11.143 3.924 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.660 -10.492 4.013 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.449 -12.377 4.214 1.00 32.61 O ATOM 0 H GLU A 64 10.250 -7.406 2.060 1.00 10.04 H new ATOM 0 HA GLU A 64 9.068 -8.605 3.408 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.712 -8.908 5.022 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.320 -9.958 5.204 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.652 -10.949 2.999 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.797 -9.708 2.530 1.00 24.16 H new ATOM 1035 N SER A 65 8.897 -6.164 4.774 1.00 6.85 N ATOM 1036 CA SER A 65 8.274 -5.234 5.689 1.00 6.90 C ATOM 1037 C SER A 65 6.775 -5.282 5.572 1.00 4.72 C ATOM 1038 O SER A 65 6.208 -5.895 4.687 1.00 3.91 O ATOM 1039 CB SER A 65 8.672 -3.766 5.488 1.00 7.28 C ATOM 1040 OG SER A 65 8.421 -2.961 6.647 1.00 10.56 O ATOM 0 H SER A 65 8.948 -5.816 3.816 1.00 6.85 H new ATOM 0 HA SER A 65 8.629 -5.561 6.666 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.731 -3.712 5.236 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.121 -3.357 4.641 1.00 7.28 H new ATOM 0 HG SER A 65 7.612 -2.427 6.505 1.00 10.56 H new ATOM 1046 N THR A 66 6.139 -4.616 6.535 1.00 4.48 N ATOM 1047 CA THR A 66 4.680 -4.763 6.681 1.00 3.80 C ATOM 1048 C THR A 66 4.149 -3.383 6.460 1.00 4.60 C ATOM 1049 O THR A 66 4.664 -2.413 7.028 1.00 5.33 O ATOM 1050 CB THR A 66 4.411 -5.165 8.128 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.903 -6.479 8.401 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.915 -5.363 8.256 1.00 3.40 C ATOM 0 H THR A 66 6.585 -3.990 7.206 1.00 4.48 H new ATOM 0 HA THR A 66 4.238 -5.495 6.005 1.00 3.80 H new ATOM 0 HB THR A 66 4.859 -4.410 8.774 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.719 -6.710 9.335 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.673 -5.653 9.278 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.403 -4.433 8.011 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.592 -6.146 7.570 1.00 3.40 H new ATOM 1060 N LEU A 67 3.080 -3.292 5.582 1.00 4.17 N ATOM 1061 CA LEU A 67 2.300 -2.134 5.392 1.00 3.85 C ATOM 1062 C LEU A 67 0.861 -2.472 5.857 1.00 3.80 C ATOM 1063 O LEU A 67 0.442 -3.629 5.685 1.00 5.54 O ATOM 1064 CB LEU A 67 2.179 -1.913 3.867 1.00 7.18 C ATOM 1065 CG LEU A 67 3.519 -1.601 3.245 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.281 -1.665 1.780 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.989 -0.224 3.624 1.00 11.66 C ATOM 0 H LEU A 67 2.780 -4.075 5.002 1.00 4.17 H new ATOM 0 HA LEU A 67 2.731 -1.281 5.917 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.759 -2.805 3.401 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.486 -1.095 3.671 1.00 7.18 H new ATOM 0 HG LEU A 67 4.287 -2.297 3.582 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.209 -1.449 1.251 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.933 -2.662 1.511 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.526 -0.930 1.502 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.956 -0.029 3.161 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.266 0.515 3.279 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.086 -0.158 4.708 1.00 11.66 H new ATOM 1079 N HIS A 68 0.057 -1.499 6.368 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.316 -1.791 6.653 1.00 4.17 C ATOM 1081 C HIS A 68 -2.195 -0.997 5.737 1.00 5.32 C ATOM 1082 O HIS A 68 -1.850 0.095 5.303 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.664 -1.555 8.104 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.426 -2.712 8.985 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.131 -2.872 9.407 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.172 -3.552 9.727 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.124 -3.823 10.357 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.349 -4.289 10.565 1.00 16.30 N ATOM 0 H HIS A 68 0.353 -0.545 6.575 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.484 -2.853 6.474 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.083 -0.709 8.471 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.715 -1.273 8.171 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.247 -3.639 9.677 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.758 -4.162 10.880 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.627 -5.032 11.206 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.370 -1.612 5.474 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.322 -1.156 4.514 1.00 3.97 C ATOM 1098 C LEU A 69 -5.588 -0.731 5.266 1.00 5.07 C ATOM 1099 O LEU A 69 -6.211 -1.465 5.974 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.575 -2.278 3.448 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.741 -2.002 2.524 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.783 -0.641 1.803 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.796 -3.044 1.382 1.00 9.96 C ATOM 0 H LEU A 69 -3.663 -2.463 5.954 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.956 -0.290 3.961 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.673 -2.405 2.849 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.750 -3.222 3.964 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.575 -2.034 3.225 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.674 -0.588 1.177 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.810 0.161 2.541 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.895 -0.532 1.180 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.642 -2.825 0.731 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.873 -3.000 0.805 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.912 -4.042 1.805 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.931 0.540 5.121 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.095 1.086 5.798 1.00 6.26 C ATOM 1117 C VAL A 70 -7.827 1.793 4.692 1.00 9.22 C ATOM 1118 O VAL A 70 -7.192 2.102 3.653 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.810 1.980 7.011 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -5.859 1.299 8.032 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.288 3.324 6.548 1.00 8.54 C ATOM 0 H VAL A 70 -5.422 1.209 4.543 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.677 0.298 6.276 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.747 2.143 7.544 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.687 1.971 8.873 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.313 0.376 8.392 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -4.909 1.072 7.549 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.087 3.954 7.414 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.367 3.181 5.982 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.033 3.805 5.914 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.178 1.985 4.832 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.005 2.291 3.704 1.00 16.06 C ATOM 1133 C LEU A 71 -10.758 3.638 3.859 1.00 18.09 C ATOM 1134 O LEU A 71 -11.544 3.823 4.792 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.029 1.175 3.421 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.468 -0.261 3.209 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.624 -1.189 2.750 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.414 -0.320 2.089 1.00 19.57 C ATOM 0 H LEU A 71 -9.676 1.926 5.720 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.319 2.374 2.861 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.734 1.144 4.251 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.595 1.452 2.532 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.020 -0.566 4.155 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.242 -2.198 2.598 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.402 -1.206 3.514 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.042 -0.815 1.815 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.054 -1.343 1.981 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.861 0.008 1.151 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.579 0.333 2.341 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.602 4.567 2.867 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.158 5.890 2.845 1.00 25.83 C ATOM 1152 C ARG A 72 -12.671 6.037 3.124 1.00 27.74 C ATOM 1153 O ARG A 72 -13.511 5.385 2.493 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.863 6.719 1.545 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.452 8.144 1.583 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.102 9.020 0.367 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.127 10.485 0.762 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.450 11.417 0.171 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.975 11.272 -1.045 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.318 12.614 0.728 1.00 35.02 N ATOM 0 H ARG A 72 -10.050 4.368 2.033 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.613 6.293 3.699 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.785 6.783 1.400 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.269 6.188 0.684 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.537 8.072 1.661 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.100 8.643 2.486 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.116 8.753 -0.012 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.813 8.839 -0.439 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.719 10.754 1.548 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.135 10.403 -1.555 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.446 12.028 -1.479 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.752 12.807 1.631 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.782 13.341 0.254 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.077 6.950 4.048 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.466 7.418 4.137 1.00 30.76 C ATOM 1176 C LEU A 73 -14.491 8.964 3.998 1.00 32.18 C ATOM 1177 O LEU A 73 -13.617 9.642 4.418 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.058 7.117 5.539 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.201 5.594 5.836 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.512 5.522 7.369 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.348 5.004 5.006 1.00 29.11 C ATOM 0 H LEU A 73 -12.453 7.370 4.737 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.035 6.916 3.354 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.421 7.570 6.299 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.037 7.589 5.621 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.309 5.023 5.578 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.629 4.480 7.668 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.691 5.970 7.928 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.433 6.065 7.579 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.441 3.939 5.219 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.280 5.508 5.262 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.139 5.145 3.945 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.471 9.580 3.304 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.566 10.992 3.276 1.00 35.33 C ATOM 1195 C ARG A 74 -16.102 11.664 4.553 1.00 36.22 C ATOM 1196 O ARG A 74 -15.700 12.749 4.949 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.547 11.348 2.136 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.082 10.695 0.724 1.00 38.62 C ATOM 1199 CD ARG A 74 -14.832 11.443 0.194 1.00 39.75 C ATOM 1200 NE ARG A 74 -14.414 10.969 -1.157 1.00 41.13 N ATOM 1201 CZ ARG A 74 -13.527 11.680 -1.848 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -13.005 12.758 -1.423 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -13.233 11.207 -3.109 1.00 41.93 N ATOM 0 H ARG A 74 -16.189 9.093 2.768 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.547 11.360 3.152 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.546 10.994 2.390 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -16.610 12.431 2.034 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.856 9.637 0.858 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.892 10.759 -0.002 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -15.043 12.512 0.152 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -14.008 11.308 0.894 1.00 39.75 H new ATOM 0 HE ARG A 74 -14.803 10.110 -1.546 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -13.262 13.122 -0.505 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -12.329 13.259 -2.000 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -13.687 10.362 -3.455 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -12.561 11.702 -3.696 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.902 10.889 5.331 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.416 11.280 6.609 1.00 36.07 C ATOM 1219 C GLY A 75 -16.470 11.065 7.728 1.00 36.16 C ATOM 1220 O GLY A 75 -16.681 11.617 8.805 1.00 36.26 O ATOM 0 H GLY A 75 -17.198 9.954 5.051 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.687 12.335 6.573 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.331 10.722 6.808 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.268 10.410 7.437 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.247 10.213 8.495 1.00 36.19 C ATOM 1226 C GLY A 76 -12.877 10.139 7.816 1.00 36.20 C ATOM 1227 O GLY A 76 -12.513 11.110 7.190 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.209 9.091 7.983 1.00 0.00 O ATOM 0 H GLY A 76 -15.018 10.038 6.521 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.275 11.035 9.210 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.447 9.298 9.053 1.00 36.19 H new TER 1232 GLY A 76