USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 423 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 35 ASN : amide:sc= 0 X(o=-0.8,f=-0.8) USER MOD Set 1.2: A 51 ASN : amide:sc= -0.795! C(o=-0.8!,f=-2.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= -0.23 (180deg=-0.234) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -2.81! C(o=-2.8!,f=-0.74!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -32:sc= 0.366 USER MOD Single : A 18 SER OG : rot 67:sc= 0.667 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -110:sc= -1.08 USER MOD Single : A 23 GLN : amide:sc= -0.346 K(o=-0.35,f=-2.9!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 50:sc= -4.09! USER MOD Single : A 44 LYS NZ :NH3+ 159:sc= -0.347 (180deg=-0.991) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -120:sc= 0.0605 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -170:sc=-0.00129 (180deg=-0.0913) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.071 -9.816 -3.874 1.00 0.00 N ATOM 2 CA MET A 1 -3.476 -9.331 -3.942 1.00 0.00 C ATOM 3 C MET A 1 -3.805 -8.431 -2.753 1.00 0.00 C ATOM 4 O MET A 1 -4.569 -7.475 -2.882 1.00 0.00 O ATOM 5 CB MET A 1 -4.412 -10.545 -3.984 1.00 0.00 C ATOM 6 CG MET A 1 -4.238 -11.511 -2.819 1.00 0.00 C ATOM 7 SD MET A 1 -3.413 -13.041 -3.299 1.00 0.00 S ATOM 8 CE MET A 1 -4.318 -14.243 -2.324 1.00 0.00 C ATOM 0 H1 MET A 1 -1.889 -10.465 -4.666 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.421 -9.006 -3.934 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.919 -10.316 -2.975 1.00 0.00 H new ATOM 0 HA MET A 1 -3.610 -8.733 -4.844 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.444 -10.193 -3.998 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.246 -11.085 -4.916 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.662 -11.024 -2.032 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.216 -11.747 -2.399 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.920 -15.240 -2.515 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.212 -14.007 -1.265 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.373 -14.214 -2.598 1.00 0.00 H new ATOM 20 N GLU A 2 -3.245 -8.753 -1.594 1.00 0.00 N ATOM 21 CA GLU A 2 -3.505 -7.960 -0.399 1.00 0.00 C ATOM 22 C GLU A 2 -2.251 -7.787 0.445 1.00 0.00 C ATOM 23 O GLU A 2 -1.476 -8.721 0.647 1.00 0.00 O ATOM 24 CB GLU A 2 -4.636 -8.571 0.440 1.00 0.00 C ATOM 25 CG GLU A 2 -4.991 -10.003 0.073 1.00 0.00 C ATOM 26 CD GLU A 2 -5.978 -10.621 1.044 1.00 0.00 C ATOM 27 OE1 GLU A 2 -6.847 -9.883 1.557 1.00 0.00 O ATOM 28 OE2 GLU A 2 -5.883 -11.841 1.294 1.00 0.00 O ATOM 0 H GLU A 2 -2.617 -9.545 -1.456 1.00 0.00 H new ATOM 0 HA GLU A 2 -3.822 -6.973 -0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -4.349 -8.539 1.491 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.526 -7.951 0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.413 -10.024 -0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.083 -10.605 0.050 1.00 0.00 H new ATOM 35 N ALA A 3 -2.082 -6.571 0.943 1.00 0.00 N ATOM 36 CA ALA A 3 -0.945 -6.207 1.777 1.00 0.00 C ATOM 37 C ALA A 3 -1.388 -5.309 2.918 1.00 0.00 C ATOM 38 O ALA A 3 -2.284 -4.483 2.739 1.00 0.00 O ATOM 39 CB ALA A 3 0.087 -5.474 0.943 1.00 0.00 C ATOM 0 H ALA A 3 -2.734 -5.804 0.779 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.512 -7.119 2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 3 0.936 -5.203 1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 3 0.426 -6.120 0.133 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.358 -4.571 0.525 1.00 0.00 H new ATOM 45 N ILE A 4 -0.720 -5.390 4.062 1.00 0.00 N ATOM 46 CA ILE A 4 -1.054 -4.518 5.180 1.00 0.00 C ATOM 47 C ILE A 4 -0.018 -3.407 5.287 1.00 0.00 C ATOM 48 O ILE A 4 1.126 -3.609 4.907 1.00 0.00 O ATOM 49 CB ILE A 4 -1.120 -5.317 6.501 1.00 0.00 C ATOM 50 CG1 ILE A 4 -1.809 -4.504 7.601 1.00 0.00 C ATOM 51 CG2 ILE A 4 0.271 -5.746 6.946 1.00 0.00 C ATOM 52 CD1 ILE A 4 -3.308 -4.694 7.635 1.00 0.00 C ATOM 0 H ILE A 4 0.045 -6.041 4.239 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.036 -4.080 5.001 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.713 -6.213 6.319 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.392 -4.787 8.568 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.587 -3.447 7.455 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.198 -6.307 7.878 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.721 -6.375 6.178 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.892 -4.864 7.101 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.733 -4.090 8.437 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.736 -4.384 6.682 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.538 -5.745 7.811 1.00 0.00 H new ATOM 64 N ALA A 5 -0.392 -2.263 5.852 1.00 0.00 N ATOM 65 CA ALA A 5 0.567 -1.169 5.989 1.00 0.00 C ATOM 66 C ALA A 5 0.289 -0.320 7.202 1.00 0.00 C ATOM 67 O ALA A 5 -0.604 0.531 7.157 1.00 0.00 O ATOM 68 CB ALA A 5 0.530 -0.291 4.758 1.00 0.00 C ATOM 0 H ALA A 5 -1.326 -2.070 6.214 1.00 0.00 H new ATOM 0 HA ALA A 5 1.553 -1.619 6.106 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.248 0.522 4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 5 0.786 -0.884 3.880 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -0.471 0.123 4.636 1.00 0.00 H new ATOM 74 N LYS A 6 1.057 -0.463 8.268 1.00 0.00 N ATOM 75 CA LYS A 6 0.784 0.386 9.409 1.00 0.00 C ATOM 76 C LYS A 6 1.717 1.583 9.509 1.00 0.00 C ATOM 77 O LYS A 6 2.781 1.526 10.126 1.00 0.00 O ATOM 78 CB LYS A 6 0.909 -0.473 10.671 1.00 0.00 C ATOM 79 CG LYS A 6 0.138 0.036 11.874 1.00 0.00 C ATOM 80 CD LYS A 6 1.049 0.258 13.073 1.00 0.00 C ATOM 81 CE LYS A 6 0.296 0.883 14.237 1.00 0.00 C ATOM 82 NZ LYS A 6 1.224 1.449 15.256 1.00 0.00 N ATOM 0 H LYS A 6 1.831 -1.120 8.367 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.220 0.795 9.293 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.567 -1.482 10.440 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.963 -0.547 10.939 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.361 0.971 11.618 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.641 -0.680 12.136 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.479 -0.694 13.386 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.879 0.904 12.786 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.359 1.670 13.865 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.341 0.132 14.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.673 1.866 16.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.833 0.693 15.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.815 2.184 14.817 1.00 0.00 H new ATOM 96 N HIS A 7 1.210 2.711 9.001 1.00 0.00 N ATOM 97 CA HIS A 7 1.844 4.015 9.124 1.00 0.00 C ATOM 98 C HIS A 7 0.772 5.051 8.753 1.00 0.00 C ATOM 99 O HIS A 7 0.397 5.105 7.581 1.00 0.00 O ATOM 100 CB HIS A 7 3.095 4.153 8.263 1.00 0.00 C ATOM 101 CG HIS A 7 4.326 4.469 9.056 1.00 0.00 C ATOM 102 ND1 HIS A 7 4.325 4.649 10.427 1.00 0.00 N ATOM 103 CD2 HIS A 7 5.606 4.633 8.663 1.00 0.00 C ATOM 104 CE1 HIS A 7 5.554 4.906 10.834 1.00 0.00 C ATOM 105 NE2 HIS A 7 6.350 4.901 9.783 1.00 0.00 N ATOM 0 H HIS A 7 0.331 2.737 8.484 1.00 0.00 H new ATOM 0 HA HIS A 7 2.202 4.165 10.143 1.00 0.00 H new ATOM 0 HB2 HIS A 7 3.253 3.226 7.713 1.00 0.00 H new ATOM 0 HB3 HIS A 7 2.935 4.939 7.524 1.00 0.00 H new ATOM 0 HD2 HIS A 7 5.977 4.566 7.651 1.00 0.00 H new ATOM 0 HE1 HIS A 7 5.856 5.089 11.855 1.00 0.00 H new ATOM 0 HE2 HIS A 7 7.356 5.069 9.800 1.00 0.00 H new ATOM 114 N ASP A 8 0.307 5.917 9.652 1.00 0.00 N ATOM 115 CA ASP A 8 -0.656 6.949 9.245 1.00 0.00 C ATOM 116 C ASP A 8 0.134 8.162 8.771 1.00 0.00 C ATOM 117 O ASP A 8 0.564 9.002 9.561 1.00 0.00 O ATOM 118 CB ASP A 8 -1.604 7.323 10.389 1.00 0.00 C ATOM 119 CG ASP A 8 -2.640 8.349 9.973 1.00 0.00 C ATOM 120 OD1 ASP A 8 -2.302 9.247 9.173 1.00 0.00 O ATOM 121 OD2 ASP A 8 -3.792 8.257 10.447 1.00 0.00 O ATOM 0 H ASP A 8 0.568 5.931 10.638 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.284 6.567 8.440 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.109 6.426 10.746 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.024 7.716 11.224 1.00 0.00 H new ATOM 126 N PHE A 9 0.195 8.297 7.443 1.00 0.00 N ATOM 127 CA PHE A 9 0.852 9.434 6.799 1.00 0.00 C ATOM 128 C PHE A 9 -0.158 10.229 5.981 1.00 0.00 C ATOM 129 O PHE A 9 -0.921 9.678 5.188 1.00 0.00 O ATOM 130 CB PHE A 9 1.989 8.944 5.901 1.00 0.00 C ATOM 131 CG PHE A 9 3.352 9.242 6.448 1.00 0.00 C ATOM 132 CD1 PHE A 9 3.883 10.518 6.359 1.00 0.00 C ATOM 133 CD2 PHE A 9 4.102 8.248 7.053 1.00 0.00 C ATOM 134 CE1 PHE A 9 5.139 10.797 6.863 1.00 0.00 C ATOM 135 CE2 PHE A 9 5.358 8.520 7.559 1.00 0.00 C ATOM 136 CZ PHE A 9 5.878 9.797 7.463 1.00 0.00 C ATOM 0 H PHE A 9 -0.207 7.625 6.789 1.00 0.00 H new ATOM 0 HA PHE A 9 1.268 10.083 7.570 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.891 7.868 5.758 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.891 9.406 4.919 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.309 11.304 5.890 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.700 7.248 7.130 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.542 11.796 6.788 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.933 7.736 8.029 1.00 0.00 H new ATOM 0 HZ PHE A 9 6.860 10.012 7.857 1.00 0.00 H new ATOM 146 N SER A 10 -0.170 11.534 6.235 1.00 0.00 N ATOM 147 CA SER A 10 -1.107 12.391 5.525 1.00 0.00 C ATOM 148 C SER A 10 -0.542 12.802 4.161 1.00 0.00 C ATOM 149 O SER A 10 0.657 12.702 3.905 1.00 0.00 O ATOM 150 CB SER A 10 -1.453 13.665 6.301 1.00 0.00 C ATOM 151 OG SER A 10 -2.847 13.921 6.270 1.00 0.00 O ATOM 0 H SER A 10 0.437 12.007 6.904 1.00 0.00 H new ATOM 0 HA SER A 10 -2.015 11.801 5.404 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.122 13.566 7.335 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.915 14.512 5.874 1.00 0.00 H new ATOM 0 HG SER A 10 -3.041 14.739 6.774 1.00 0.00 H new ATOM 157 N ALA A 11 -1.448 13.237 3.296 1.00 0.00 N ATOM 158 CA ALA A 11 -1.092 13.630 1.934 1.00 0.00 C ATOM 159 C ALA A 11 -0.308 14.939 1.842 1.00 0.00 C ATOM 160 O ALA A 11 -0.697 15.969 2.396 1.00 0.00 O ATOM 161 CB ALA A 11 -2.349 13.718 1.082 1.00 0.00 C ATOM 0 H ALA A 11 -2.441 13.328 3.512 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.423 12.855 1.560 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.081 14.011 0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.843 12.746 1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.025 14.459 1.507 1.00 0.00 H new ATOM 167 N THR A 12 0.805 14.863 1.110 1.00 0.00 N ATOM 168 CA THR A 12 1.697 16.000 0.878 1.00 0.00 C ATOM 169 C THR A 12 1.775 16.309 -0.622 1.00 0.00 C ATOM 170 O THR A 12 2.360 17.310 -1.034 1.00 0.00 O ATOM 171 CB THR A 12 3.096 15.673 1.410 1.00 0.00 C ATOM 172 OG1 THR A 12 3.991 16.741 1.150 1.00 0.00 O ATOM 173 CG2 THR A 12 3.695 14.419 0.808 1.00 0.00 C ATOM 0 H THR A 12 1.115 14.003 0.658 1.00 0.00 H new ATOM 0 HA THR A 12 1.305 16.872 1.401 1.00 0.00 H new ATOM 0 HB THR A 12 2.965 15.513 2.480 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.735 17.187 0.316 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.685 14.250 1.231 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.054 13.566 1.032 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.777 14.538 -0.272 1.00 0.00 H new ATOM 181 N ALA A 13 1.180 15.428 -1.424 1.00 0.00 N ATOM 182 CA ALA A 13 1.154 15.580 -2.875 1.00 0.00 C ATOM 183 C ALA A 13 -0.043 14.812 -3.418 1.00 0.00 C ATOM 184 O ALA A 13 -0.380 13.737 -2.922 1.00 0.00 O ATOM 185 CB ALA A 13 2.435 15.049 -3.503 1.00 0.00 C ATOM 0 H ALA A 13 0.704 14.591 -1.086 1.00 0.00 H new ATOM 0 HA ALA A 13 1.073 16.638 -3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.389 15.175 -4.585 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.289 15.601 -3.110 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.546 13.991 -3.265 1.00 0.00 H new ATOM 191 N ASP A 14 -0.684 15.373 -4.436 1.00 0.00 N ATOM 192 CA ASP A 14 -1.861 14.774 -5.053 1.00 0.00 C ATOM 193 C ASP A 14 -1.611 13.389 -5.647 1.00 0.00 C ATOM 194 O ASP A 14 -2.450 12.502 -5.496 1.00 0.00 O ATOM 195 CB ASP A 14 -2.428 15.668 -6.156 1.00 0.00 C ATOM 196 CG ASP A 14 -3.815 15.238 -6.597 1.00 0.00 C ATOM 197 OD1 ASP A 14 -4.570 14.710 -5.754 1.00 0.00 O ATOM 198 OD2 ASP A 14 -4.144 15.430 -7.786 1.00 0.00 O ATOM 0 H ASP A 14 -0.402 16.258 -4.858 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.575 14.668 -4.236 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.466 16.698 -5.801 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.756 15.651 -7.014 1.00 0.00 H new ATOM 203 N ASP A 15 -0.437 13.157 -6.231 1.00 0.00 N ATOM 204 CA ASP A 15 -0.129 11.829 -6.761 1.00 0.00 C ATOM 205 C ASP A 15 0.440 10.920 -5.670 1.00 0.00 C ATOM 206 O ASP A 15 0.713 9.747 -5.918 1.00 0.00 O ATOM 207 CB ASP A 15 0.839 11.894 -7.943 1.00 0.00 C ATOM 208 CG ASP A 15 0.521 10.856 -9.003 1.00 0.00 C ATOM 209 OD1 ASP A 15 0.413 9.662 -8.651 1.00 0.00 O ATOM 210 OD2 ASP A 15 0.380 11.238 -10.184 1.00 0.00 O ATOM 0 H ASP A 15 0.301 13.852 -6.348 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.068 11.408 -7.119 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.800 12.888 -8.388 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.858 11.745 -7.585 1.00 0.00 H new ATOM 215 N GLU A 16 0.534 11.432 -4.447 1.00 0.00 N ATOM 216 CA GLU A 16 0.981 10.629 -3.315 1.00 0.00 C ATOM 217 C GLU A 16 -0.251 10.216 -2.526 1.00 0.00 C ATOM 218 O GLU A 16 -0.978 11.068 -2.016 1.00 0.00 O ATOM 219 CB GLU A 16 1.952 11.410 -2.426 1.00 0.00 C ATOM 220 CG GLU A 16 2.845 10.522 -1.575 1.00 0.00 C ATOM 221 CD GLU A 16 4.314 10.653 -1.933 1.00 0.00 C ATOM 222 OE1 GLU A 16 4.773 9.922 -2.837 1.00 0.00 O ATOM 223 OE2 GLU A 16 5.005 11.483 -1.308 1.00 0.00 O ATOM 0 H GLU A 16 0.307 12.399 -4.215 1.00 0.00 H new ATOM 0 HA GLU A 16 1.518 9.751 -3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.577 12.044 -3.054 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.382 12.071 -1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.707 10.776 -0.524 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.537 9.483 -1.695 1.00 0.00 H new ATOM 230 N LEU A 17 -0.540 8.919 -2.501 1.00 0.00 N ATOM 231 CA LEU A 17 -1.729 8.420 -1.827 1.00 0.00 C ATOM 232 C LEU A 17 -1.511 8.355 -0.319 1.00 0.00 C ATOM 233 O LEU A 17 -0.624 7.651 0.157 1.00 0.00 O ATOM 234 CB LEU A 17 -2.042 7.001 -2.290 1.00 0.00 C ATOM 235 CG LEU A 17 -3.467 6.536 -2.002 1.00 0.00 C ATOM 236 CD1 LEU A 17 -4.466 7.460 -2.675 1.00 0.00 C ATOM 237 CD2 LEU A 17 -3.666 5.098 -2.462 1.00 0.00 C ATOM 0 H LEU A 17 0.033 8.197 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.545 9.101 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.863 6.936 -3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.346 6.314 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.634 6.572 -0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.479 7.118 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.338 8.473 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.300 7.453 -3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.688 4.786 -2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.483 5.030 -3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.969 4.447 -1.934 1.00 0.00 H new ATOM 249 N SER A 18 -2.377 9.023 0.429 1.00 0.00 N ATOM 250 CA SER A 18 -2.306 8.993 1.884 1.00 0.00 C ATOM 251 C SER A 18 -3.123 7.827 2.438 1.00 0.00 C ATOM 252 O SER A 18 -3.915 7.204 1.732 1.00 0.00 O ATOM 253 CB SER A 18 -2.812 10.317 2.457 1.00 0.00 C ATOM 254 OG SER A 18 -3.175 10.179 3.820 1.00 0.00 O ATOM 0 H SER A 18 -3.136 9.592 0.054 1.00 0.00 H new ATOM 0 HA SER A 18 -1.267 8.853 2.181 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.038 11.078 2.359 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.672 10.661 1.882 1.00 0.00 H new ATOM 0 HG SER A 18 -2.375 9.993 4.354 1.00 0.00 H new ATOM 260 N PHE A 19 -2.900 7.552 3.720 1.00 0.00 N ATOM 261 CA PHE A 19 -3.615 6.469 4.388 1.00 0.00 C ATOM 262 C PHE A 19 -3.390 6.472 5.895 1.00 0.00 C ATOM 263 O PHE A 19 -2.698 7.337 6.455 1.00 0.00 O ATOM 264 CB PHE A 19 -3.224 5.102 3.828 1.00 0.00 C ATOM 265 CG PHE A 19 -4.207 4.574 2.832 1.00 0.00 C ATOM 266 CD1 PHE A 19 -5.553 4.503 3.144 1.00 0.00 C ATOM 267 CD2 PHE A 19 -3.787 4.156 1.582 1.00 0.00 C ATOM 268 CE1 PHE A 19 -6.465 4.023 2.227 1.00 0.00 C ATOM 269 CE2 PHE A 19 -4.693 3.677 0.660 1.00 0.00 C ATOM 270 CZ PHE A 19 -6.034 3.610 0.981 1.00 0.00 C ATOM 0 H PHE A 19 -2.239 8.057 4.311 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.672 6.647 4.193 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.243 5.175 3.358 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.131 4.392 4.650 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.894 4.827 4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.739 4.205 1.326 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.513 3.970 2.482 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.354 3.354 -0.313 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.745 3.235 0.259 1.00 0.00 H new ATOM 280 N ARG A 20 -3.999 5.466 6.530 1.00 0.00 N ATOM 281 CA ARG A 20 -3.915 5.286 7.968 1.00 0.00 C ATOM 282 C ARG A 20 -3.101 4.048 8.324 1.00 0.00 C ATOM 283 O ARG A 20 -3.017 3.087 7.545 1.00 0.00 O ATOM 284 CB ARG A 20 -5.311 5.167 8.571 1.00 0.00 C ATOM 285 CG ARG A 20 -5.320 5.310 10.082 1.00 0.00 C ATOM 286 CD ARG A 20 -6.506 6.129 10.561 1.00 0.00 C ATOM 287 NE ARG A 20 -7.764 5.409 10.396 1.00 0.00 N ATOM 288 CZ ARG A 20 -8.758 5.432 11.281 1.00 0.00 C ATOM 289 NH1 ARG A 20 -8.659 6.151 12.394 1.00 0.00 N ATOM 290 NH2 ARG A 20 -9.860 4.735 11.049 1.00 0.00 N ATOM 0 H ARG A 20 -4.561 4.759 6.056 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.414 6.161 8.381 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.955 5.931 8.136 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.736 4.200 8.301 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.351 4.322 10.541 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.394 5.784 10.408 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.370 6.386 11.611 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.548 7.066 10.006 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.890 4.853 9.550 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.815 6.693 12.578 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.427 6.161 13.065 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.944 4.184 10.195 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.624 4.750 11.724 1.00 0.00 H new ATOM 304 N LYS A 21 -2.561 4.039 9.529 1.00 0.00 N ATOM 305 CA LYS A 21 -1.813 2.896 10.007 1.00 0.00 C ATOM 306 C LYS A 21 -2.757 1.702 10.161 1.00 0.00 C ATOM 307 O LYS A 21 -3.891 1.837 10.624 1.00 0.00 O ATOM 308 CB LYS A 21 -1.149 3.234 11.344 1.00 0.00 C ATOM 309 CG LYS A 21 -2.130 3.474 12.479 1.00 0.00 C ATOM 310 CD LYS A 21 -2.203 4.946 12.857 1.00 0.00 C ATOM 311 CE LYS A 21 -1.808 5.178 14.306 1.00 0.00 C ATOM 312 NZ LYS A 21 -0.436 5.745 14.422 1.00 0.00 N ATOM 0 H LYS A 21 -2.628 4.811 10.192 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.033 2.640 9.290 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.480 2.419 11.622 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.532 4.124 11.217 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.120 3.124 12.185 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.831 2.889 13.349 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.546 5.522 12.205 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.216 5.313 12.693 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.522 5.856 14.773 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.859 4.236 14.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.204 5.889 15.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.249 5.086 13.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.394 6.656 13.923 1.00 0.00 H new ATOM 326 N THR A 22 -2.269 0.534 9.753 1.00 0.00 N ATOM 327 CA THR A 22 -2.995 -0.720 9.847 1.00 0.00 C ATOM 328 C THR A 22 -4.011 -0.939 8.740 1.00 0.00 C ATOM 329 O THR A 22 -4.773 -1.905 8.803 1.00 0.00 O ATOM 330 CB THR A 22 -3.683 -0.846 11.206 1.00 0.00 C ATOM 331 OG1 THR A 22 -2.847 -0.350 12.238 1.00 0.00 O ATOM 332 CG2 THR A 22 -4.048 -2.274 11.553 1.00 0.00 C ATOM 0 H THR A 22 -1.341 0.435 9.341 1.00 0.00 H new ATOM 0 HA THR A 22 -2.240 -1.497 9.731 1.00 0.00 H new ATOM 0 HB THR A 22 -4.599 -0.260 11.128 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.534 -1.095 12.792 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.533 -2.299 12.529 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.729 -2.669 10.799 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.145 -2.884 11.581 1.00 0.00 H new ATOM 340 N GLN A 23 -4.066 -0.070 7.728 1.00 0.00 N ATOM 341 CA GLN A 23 -5.045 -0.295 6.672 1.00 0.00 C ATOM 342 C GLN A 23 -4.537 -1.236 5.578 1.00 0.00 C ATOM 343 O GLN A 23 -3.342 -1.286 5.281 1.00 0.00 O ATOM 344 CB GLN A 23 -5.614 0.989 6.071 1.00 0.00 C ATOM 345 CG GLN A 23 -6.757 1.577 6.880 1.00 0.00 C ATOM 346 CD GLN A 23 -7.988 1.855 6.041 1.00 0.00 C ATOM 347 OE1 GLN A 23 -7.971 1.704 4.819 1.00 0.00 O ATOM 348 NE2 GLN A 23 -9.067 2.263 6.697 1.00 0.00 N ATOM 0 H GLN A 23 -3.475 0.755 7.621 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.873 -0.793 7.176 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -4.817 1.728 5.991 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.962 0.785 5.059 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.019 0.889 7.684 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.425 2.504 7.349 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.036 2.374 7.710 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.927 2.465 6.188 1.00 0.00 H new ATOM 357 N ILE A 24 -5.471 -1.990 5.000 1.00 0.00 N ATOM 358 CA ILE A 24 -5.159 -2.960 3.945 1.00 0.00 C ATOM 359 C ILE A 24 -5.305 -2.348 2.552 1.00 0.00 C ATOM 360 O ILE A 24 -6.280 -1.651 2.272 1.00 0.00 O ATOM 361 CB ILE A 24 -6.068 -4.205 4.040 1.00 0.00 C ATOM 362 CG1 ILE A 24 -7.528 -3.795 4.248 1.00 0.00 C ATOM 363 CG2 ILE A 24 -5.609 -5.111 5.169 1.00 0.00 C ATOM 364 CD1 ILE A 24 -8.479 -4.969 4.330 1.00 0.00 C ATOM 0 H ILE A 24 -6.460 -1.948 5.246 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.121 -3.256 4.096 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.996 -4.753 3.101 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.606 -3.210 5.164 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.835 -3.146 3.428 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.260 -5.984 5.223 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.584 -5.433 4.983 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.653 -4.567 6.113 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.495 -4.604 4.478 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.430 -5.542 3.404 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -8.197 -5.608 5.167 1.00 0.00 H new ATOM 376 N LEU A 25 -4.332 -2.620 1.677 1.00 0.00 N ATOM 377 CA LEU A 25 -4.352 -2.083 0.316 1.00 0.00 C ATOM 378 C LEU A 25 -4.401 -3.179 -0.756 1.00 0.00 C ATOM 379 O LEU A 25 -3.877 -4.279 -0.562 1.00 0.00 O ATOM 380 CB LEU A 25 -3.129 -1.188 0.103 1.00 0.00 C ATOM 381 CG LEU A 25 -3.422 0.310 0.168 1.00 0.00 C ATOM 382 CD1 LEU A 25 -4.494 0.676 -0.845 1.00 0.00 C ATOM 383 CD2 LEU A 25 -3.849 0.708 1.575 1.00 0.00 C ATOM 0 H LEU A 25 -3.524 -3.207 1.887 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.267 -1.501 0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.380 -1.432 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.691 -1.418 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.512 0.858 -0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.696 1.746 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.149 0.422 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.407 0.123 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.054 1.778 1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.749 0.159 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.050 0.472 2.278 1.00 0.00 H new ATOM 395 N LYS A 26 -5.053 -2.870 -1.880 1.00 0.00 N ATOM 396 CA LYS A 26 -5.212 -3.788 -3.010 1.00 0.00 C ATOM 397 C LYS A 26 -4.038 -3.674 -3.987 1.00 0.00 C ATOM 398 O LYS A 26 -3.993 -2.763 -4.815 1.00 0.00 O ATOM 399 CB LYS A 26 -6.486 -3.396 -3.761 1.00 0.00 C ATOM 400 CG LYS A 26 -7.746 -4.059 -3.224 1.00 0.00 C ATOM 401 CD LYS A 26 -7.908 -5.470 -3.772 1.00 0.00 C ATOM 402 CE LYS A 26 -9.209 -5.628 -4.547 1.00 0.00 C ATOM 403 NZ LYS A 26 -9.989 -6.809 -4.083 1.00 0.00 N ATOM 0 H LYS A 26 -5.491 -1.962 -2.032 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.257 -4.808 -2.629 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.607 -2.314 -3.711 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.370 -3.656 -4.813 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.706 -4.092 -2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.617 -3.461 -3.493 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.066 -5.706 -4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.886 -6.185 -2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.812 -4.727 -4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.989 -5.732 -5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.868 -6.883 -4.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.424 -7.672 -4.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.221 -6.698 -3.075 1.00 0.00 H new ATOM 417 N ILE A 27 -3.095 -4.604 -3.885 1.00 0.00 N ATOM 418 CA ILE A 27 -1.926 -4.576 -4.767 1.00 0.00 C ATOM 419 C ILE A 27 -2.269 -5.128 -6.145 1.00 0.00 C ATOM 420 O ILE A 27 -3.020 -6.097 -6.255 1.00 0.00 O ATOM 421 CB ILE A 27 -0.739 -5.381 -4.193 1.00 0.00 C ATOM 422 CG1 ILE A 27 -0.753 -5.359 -2.665 1.00 0.00 C ATOM 423 CG2 ILE A 27 0.578 -4.828 -4.719 1.00 0.00 C ATOM 424 CD1 ILE A 27 -0.711 -3.962 -2.092 1.00 0.00 C ATOM 0 H ILE A 27 -3.111 -5.374 -3.216 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.631 -3.530 -4.847 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.840 -6.416 -4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.650 -5.865 -2.309 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.101 -5.924 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.406 -5.405 -4.306 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.594 -4.898 -5.807 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.679 -3.784 -4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.723 -4.015 -1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.200 -3.461 -2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.579 -3.401 -2.438 1.00 0.00 H new ATOM 436 N LEU A 28 -1.803 -4.460 -7.206 1.00 0.00 N ATOM 437 CA LEU A 28 -2.165 -4.885 -8.564 1.00 0.00 C ATOM 438 C LEU A 28 -1.169 -5.866 -9.198 1.00 0.00 C ATOM 439 O LEU A 28 -1.567 -6.936 -9.659 1.00 0.00 O ATOM 440 CB LEU A 28 -2.360 -3.657 -9.471 1.00 0.00 C ATOM 441 CG LEU A 28 -1.111 -3.150 -10.199 1.00 0.00 C ATOM 442 CD1 LEU A 28 -1.498 -2.223 -11.340 1.00 0.00 C ATOM 443 CD2 LEU A 28 -0.196 -2.432 -9.230 1.00 0.00 C ATOM 0 H LEU A 28 -1.191 -3.645 -7.156 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.103 -5.432 -8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.117 -3.899 -10.217 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.758 -2.843 -8.865 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.581 -4.007 -10.614 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.598 -1.873 -11.845 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.126 -2.762 -12.049 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.048 -1.369 -10.944 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.688 -2.077 -9.760 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.723 -1.584 -8.793 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.107 -3.118 -8.439 1.00 0.00 H new ATOM 455 N ASN A 29 0.123 -5.540 -9.169 1.00 0.00 N ATOM 456 CA ASN A 29 1.178 -6.400 -9.704 1.00 0.00 C ATOM 457 C ASN A 29 2.255 -6.518 -8.637 1.00 0.00 C ATOM 458 O ASN A 29 2.072 -5.992 -7.537 1.00 0.00 O ATOM 459 CB ASN A 29 1.746 -5.812 -10.997 1.00 0.00 C ATOM 460 CG ASN A 29 1.857 -6.848 -12.096 1.00 0.00 C ATOM 461 OD1 ASN A 29 2.524 -7.870 -11.936 1.00 0.00 O ATOM 462 ND2 ASN A 29 1.200 -6.590 -13.220 1.00 0.00 N ATOM 0 H ASN A 29 0.469 -4.667 -8.771 1.00 0.00 H new ATOM 0 HA ASN A 29 0.783 -7.386 -9.949 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.108 -4.995 -11.333 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.730 -5.387 -10.799 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.236 -7.252 -13.995 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.659 -5.730 -13.309 1.00 0.00 H new ATOM 469 N MET A 30 3.318 -7.284 -8.876 1.00 0.00 N ATOM 470 CA MET A 30 4.302 -7.448 -7.817 1.00 0.00 C ATOM 471 C MET A 30 5.152 -6.184 -7.686 1.00 0.00 C ATOM 472 O MET A 30 5.965 -5.843 -8.546 1.00 0.00 O ATOM 473 CB MET A 30 5.199 -8.649 -8.123 1.00 0.00 C ATOM 474 CG MET A 30 5.964 -9.177 -6.918 1.00 0.00 C ATOM 475 SD MET A 30 5.727 -10.947 -6.661 1.00 0.00 S ATOM 476 CE MET A 30 6.820 -11.237 -5.272 1.00 0.00 C ATOM 0 H MET A 30 3.513 -7.777 -9.748 1.00 0.00 H new ATOM 0 HA MET A 30 3.781 -7.621 -6.875 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.585 -9.452 -8.531 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.912 -8.368 -8.898 1.00 0.00 H new ATOM 0 HG2 MET A 30 7.027 -8.973 -7.050 1.00 0.00 H new ATOM 0 HG3 MET A 30 5.644 -8.639 -6.026 1.00 0.00 H new ATOM 0 HE1 MET A 30 6.784 -12.290 -4.994 1.00 0.00 H new ATOM 0 HE2 MET A 30 7.840 -10.970 -5.549 1.00 0.00 H new ATOM 0 HE3 MET A 30 6.503 -10.628 -4.426 1.00 0.00 H new ATOM 536 N ASN A 35 10.293 -0.625 -3.418 1.00 0.00 N ATOM 537 CA ASN A 35 10.220 0.432 -2.405 1.00 0.00 C ATOM 538 C ASN A 35 8.900 1.207 -2.503 1.00 0.00 C ATOM 539 O ASN A 35 8.372 1.682 -1.497 1.00 0.00 O ATOM 540 CB ASN A 35 11.388 1.407 -2.581 1.00 0.00 C ATOM 541 CG ASN A 35 12.314 1.415 -1.379 1.00 0.00 C ATOM 542 OD1 ASN A 35 11.881 1.662 -0.253 1.00 0.00 O ATOM 543 ND2 ASN A 35 13.593 1.143 -1.610 1.00 0.00 N ATOM 0 HA ASN A 35 10.274 -0.042 -1.425 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.954 1.136 -3.472 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.999 2.412 -2.744 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.260 1.133 -0.838 1.00 0.00 H new ATOM 0 HD22 ASN A 35 13.909 0.944 -2.559 1.00 0.00 H new ATOM 550 N TRP A 36 8.370 1.323 -3.723 1.00 0.00 N ATOM 551 CA TRP A 36 7.110 2.031 -3.956 1.00 0.00 C ATOM 552 C TRP A 36 6.170 1.164 -4.796 1.00 0.00 C ATOM 553 O TRP A 36 6.434 0.907 -5.971 1.00 0.00 O ATOM 554 CB TRP A 36 7.346 3.381 -4.657 1.00 0.00 C ATOM 555 CG TRP A 36 8.780 3.818 -4.720 1.00 0.00 C ATOM 556 CD1 TRP A 36 9.465 4.538 -3.781 1.00 0.00 C ATOM 557 CD2 TRP A 36 9.700 3.581 -5.791 1.00 0.00 C ATOM 558 NE1 TRP A 36 10.752 4.758 -4.204 1.00 0.00 N ATOM 559 CE2 TRP A 36 10.921 4.181 -5.432 1.00 0.00 C ATOM 560 CE3 TRP A 36 9.611 2.917 -7.018 1.00 0.00 C ATOM 561 CZ2 TRP A 36 12.041 4.138 -6.253 1.00 0.00 C ATOM 562 CZ3 TRP A 36 10.727 2.876 -7.834 1.00 0.00 C ATOM 563 CH2 TRP A 36 11.927 3.485 -7.448 1.00 0.00 C ATOM 0 H TRP A 36 8.795 0.935 -4.565 1.00 0.00 H new ATOM 0 HA TRP A 36 6.652 2.230 -2.987 1.00 0.00 H new ATOM 0 HB2 TRP A 36 6.955 3.320 -5.673 1.00 0.00 H new ATOM 0 HB3 TRP A 36 6.770 4.148 -4.140 1.00 0.00 H new ATOM 0 HD1 TRP A 36 9.054 4.883 -2.844 1.00 0.00 H new ATOM 0 HE1 TRP A 36 11.467 5.269 -3.686 1.00 0.00 H new ATOM 0 HE3 TRP A 36 8.689 2.445 -7.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 12.969 4.604 -5.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 10.672 2.366 -8.784 1.00 0.00 H new ATOM 0 HH2 TRP A 36 12.780 3.438 -8.108 1.00 0.00 H new ATOM 574 N TYR A 37 5.121 0.646 -4.159 1.00 0.00 N ATOM 575 CA TYR A 37 4.179 -0.254 -4.828 1.00 0.00 C ATOM 576 C TYR A 37 2.875 0.442 -5.231 1.00 0.00 C ATOM 577 O TYR A 37 2.527 1.492 -4.686 1.00 0.00 O ATOM 578 CB TYR A 37 3.872 -1.454 -3.933 1.00 0.00 C ATOM 579 CG TYR A 37 3.056 -1.126 -2.717 1.00 0.00 C ATOM 580 CD1 TYR A 37 1.672 -1.076 -2.776 1.00 0.00 C ATOM 581 CD2 TYR A 37 3.674 -0.886 -1.506 1.00 0.00 C ATOM 582 CE1 TYR A 37 0.925 -0.794 -1.653 1.00 0.00 C ATOM 583 CE2 TYR A 37 2.939 -0.601 -0.383 1.00 0.00 C ATOM 584 CZ TYR A 37 1.563 -0.557 -0.457 1.00 0.00 C ATOM 585 OH TYR A 37 0.824 -0.275 0.668 1.00 0.00 O ATOM 0 H TYR A 37 4.901 0.833 -3.181 1.00 0.00 H new ATOM 0 HA TYR A 37 4.661 -0.588 -5.747 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.342 -2.204 -4.520 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.812 -1.905 -3.614 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.172 -1.261 -3.715 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.751 -0.923 -1.442 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.153 -0.759 -1.711 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.437 -0.412 0.556 1.00 0.00 H new ATOM 0 HH TYR A 37 0.117 -0.946 0.772 1.00 0.00 H new ATOM 595 N ARG A 38 2.222 -0.088 -6.266 1.00 0.00 N ATOM 596 CA ARG A 38 0.971 0.479 -6.768 1.00 0.00 C ATOM 597 C ARG A 38 -0.176 -0.317 -6.137 1.00 0.00 C ATOM 598 O ARG A 38 -0.337 -1.526 -6.385 1.00 0.00 O ATOM 599 CB ARG A 38 0.889 0.405 -8.286 1.00 0.00 C ATOM 600 CG ARG A 38 2.186 0.731 -9.002 1.00 0.00 C ATOM 601 CD ARG A 38 1.949 0.896 -10.493 1.00 0.00 C ATOM 602 NE ARG A 38 3.175 0.738 -11.272 1.00 0.00 N ATOM 603 CZ ARG A 38 3.503 1.508 -12.310 1.00 0.00 C ATOM 604 NH1 ARG A 38 2.706 2.499 -12.693 1.00 0.00 N ATOM 605 NH2 ARG A 38 4.633 1.290 -12.966 1.00 0.00 N ATOM 0 H ARG A 38 2.541 -0.913 -6.774 1.00 0.00 H new ATOM 0 HA ARG A 38 0.913 1.534 -6.501 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.573 -0.598 -8.572 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.116 1.093 -8.630 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.613 1.647 -8.593 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.912 -0.064 -8.830 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.214 0.163 -10.825 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.525 1.882 -10.684 1.00 0.00 H new ATOM 0 HE ARG A 38 3.819 -0.007 -11.006 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.835 2.676 -12.192 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.965 3.083 -13.488 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.252 0.533 -12.677 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.884 1.879 -13.760 1.00 0.00 H new ATOM 619 N ALA A 39 -0.990 0.381 -5.352 1.00 0.00 N ATOM 620 CA ALA A 39 -2.142 -0.215 -4.680 1.00 0.00 C ATOM 621 C ALA A 39 -3.454 0.412 -5.156 1.00 0.00 C ATOM 622 O ALA A 39 -3.458 1.404 -5.886 1.00 0.00 O ATOM 623 CB ALA A 39 -1.988 -0.067 -3.177 1.00 0.00 C ATOM 0 H ALA A 39 -0.871 1.376 -5.163 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.180 -1.274 -4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.848 -0.512 -2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.078 -0.573 -2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.926 0.990 -2.920 1.00 0.00 H new ATOM 629 N GLU A 40 -4.561 -0.184 -4.722 1.00 0.00 N ATOM 630 CA GLU A 40 -5.876 0.321 -5.119 1.00 0.00 C ATOM 631 C GLU A 40 -6.875 0.326 -3.963 1.00 0.00 C ATOM 632 O GLU A 40 -6.715 -0.384 -2.970 1.00 0.00 O ATOM 633 CB GLU A 40 -6.419 -0.516 -6.284 1.00 0.00 C ATOM 634 CG GLU A 40 -7.670 0.058 -6.943 1.00 0.00 C ATOM 635 CD GLU A 40 -8.678 -1.010 -7.322 1.00 0.00 C ATOM 636 OE1 GLU A 40 -8.292 -1.970 -8.022 1.00 0.00 O ATOM 637 OE2 GLU A 40 -9.855 -0.883 -6.924 1.00 0.00 O ATOM 0 H GLU A 40 -4.578 -0.999 -4.109 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.748 1.357 -5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.639 -0.616 -7.039 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.642 -1.520 -5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.139 0.769 -6.263 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.382 0.613 -7.836 1.00 0.00 H new ATOM 644 N LEU A 41 -7.890 1.173 -4.102 1.00 0.00 N ATOM 645 CA LEU A 41 -8.930 1.301 -3.089 1.00 0.00 C ATOM 646 C LEU A 41 -10.179 1.916 -3.707 1.00 0.00 C ATOM 647 O LEU A 41 -10.104 2.850 -4.504 1.00 0.00 O ATOM 648 CB LEU A 41 -8.443 2.152 -1.915 1.00 0.00 C ATOM 649 CG LEU A 41 -9.340 2.111 -0.673 1.00 0.00 C ATOM 650 CD1 LEU A 41 -8.700 1.274 0.428 1.00 0.00 C ATOM 651 CD2 LEU A 41 -9.634 3.521 -0.174 1.00 0.00 C ATOM 0 H LEU A 41 -8.014 1.783 -4.910 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.171 0.308 -2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.443 1.820 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.354 3.186 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.284 1.643 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.354 1.259 1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.549 0.256 0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.739 1.708 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.272 3.469 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.699 4.018 0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.142 4.085 -0.956 1.00 0.00 H new ATOM 663 N ASP A 42 -11.328 1.351 -3.331 1.00 0.00 N ATOM 664 CA ASP A 42 -12.618 1.796 -3.846 1.00 0.00 C ATOM 665 C ASP A 42 -12.643 1.706 -5.373 1.00 0.00 C ATOM 666 O ASP A 42 -13.193 0.763 -5.944 1.00 0.00 O ATOM 667 CB ASP A 42 -12.912 3.225 -3.385 1.00 0.00 C ATOM 668 CG ASP A 42 -14.346 3.630 -3.655 1.00 0.00 C ATOM 669 OD1 ASP A 42 -14.825 3.398 -4.784 1.00 0.00 O ATOM 670 OD2 ASP A 42 -14.991 4.177 -2.735 1.00 0.00 O ATOM 0 H ASP A 42 -11.388 0.579 -2.667 1.00 0.00 H new ATOM 0 HA ASP A 42 -13.395 1.141 -3.451 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -12.707 3.310 -2.318 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.239 3.915 -3.895 1.00 0.00 H new ATOM 675 N GLY A 43 -12.030 2.686 -6.023 1.00 0.00 N ATOM 676 CA GLY A 43 -11.968 2.707 -7.476 1.00 0.00 C ATOM 677 C GLY A 43 -10.834 3.579 -7.996 1.00 0.00 C ATOM 678 O GLY A 43 -10.592 3.641 -9.201 1.00 0.00 O ATOM 0 H GLY A 43 -11.570 3.474 -5.568 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.840 1.690 -7.846 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.915 3.073 -7.872 1.00 0.00 H new ATOM 682 N LYS A 44 -10.181 4.300 -7.086 1.00 0.00 N ATOM 683 CA LYS A 44 -9.074 5.182 -7.433 1.00 0.00 C ATOM 684 C LYS A 44 -7.769 4.428 -7.170 1.00 0.00 C ATOM 685 O LYS A 44 -7.630 3.740 -6.153 1.00 0.00 O ATOM 686 CB LYS A 44 -9.097 6.450 -6.575 1.00 0.00 C ATOM 687 CG LYS A 44 -9.553 6.219 -5.144 1.00 0.00 C ATOM 688 CD LYS A 44 -8.956 7.247 -4.200 1.00 0.00 C ATOM 689 CE LYS A 44 -7.585 6.816 -3.712 1.00 0.00 C ATOM 690 NZ LYS A 44 -7.670 5.969 -2.489 1.00 0.00 N ATOM 0 H LYS A 44 -10.405 4.288 -6.091 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.159 5.473 -8.480 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.098 6.885 -6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.757 7.181 -7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.641 6.266 -5.095 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.263 5.218 -4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.878 8.208 -4.708 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.620 7.390 -3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.076 6.263 -4.502 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.981 7.699 -3.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.796 5.413 -2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.790 6.577 -1.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.483 5.325 -2.569 1.00 0.00 H new ATOM 704 N GLU A 45 -6.807 4.576 -8.076 1.00 0.00 N ATOM 705 CA GLU A 45 -5.505 3.933 -7.920 1.00 0.00 C ATOM 706 C GLU A 45 -4.529 4.920 -7.287 1.00 0.00 C ATOM 707 O GLU A 45 -4.693 6.131 -7.437 1.00 0.00 O ATOM 708 CB GLU A 45 -4.969 3.465 -9.275 1.00 0.00 C ATOM 709 CG GLU A 45 -5.988 2.707 -10.109 1.00 0.00 C ATOM 710 CD GLU A 45 -5.891 1.207 -9.921 1.00 0.00 C ATOM 711 OE1 GLU A 45 -5.425 0.772 -8.847 1.00 0.00 O ATOM 712 OE2 GLU A 45 -6.281 0.465 -10.849 1.00 0.00 O ATOM 0 H GLU A 45 -6.903 5.134 -8.924 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.615 3.061 -7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.625 4.332 -9.838 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.101 2.827 -9.111 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.991 3.039 -9.842 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.843 2.948 -11.162 1.00 0.00 H new ATOM 719 N GLY A 46 -3.524 4.420 -6.567 1.00 0.00 N ATOM 720 CA GLY A 46 -2.587 5.329 -5.932 1.00 0.00 C ATOM 721 C GLY A 46 -1.225 4.728 -5.612 1.00 0.00 C ATOM 722 O GLY A 46 -1.084 3.512 -5.488 1.00 0.00 O ATOM 0 H GLY A 46 -3.346 3.427 -6.416 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.443 6.192 -6.583 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.031 5.698 -5.007 1.00 0.00 H new ATOM 726 N LEU A 47 -0.226 5.598 -5.468 1.00 0.00 N ATOM 727 CA LEU A 47 1.129 5.152 -5.140 1.00 0.00 C ATOM 728 C LEU A 47 1.366 5.224 -3.632 1.00 0.00 C ATOM 729 O LEU A 47 0.830 6.103 -2.954 1.00 0.00 O ATOM 730 CB LEU A 47 2.173 6.004 -5.864 1.00 0.00 C ATOM 731 CG LEU A 47 2.741 5.388 -7.141 1.00 0.00 C ATOM 732 CD1 LEU A 47 1.726 5.471 -8.270 1.00 0.00 C ATOM 733 CD2 LEU A 47 4.037 6.084 -7.528 1.00 0.00 C ATOM 0 H LEU A 47 -0.327 6.608 -5.572 1.00 0.00 H new ATOM 0 HA LEU A 47 1.229 4.118 -5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.725 6.966 -6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.996 6.203 -5.178 1.00 0.00 H new ATOM 0 HG LEU A 47 2.956 4.336 -6.956 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.148 5.027 -9.172 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.823 4.930 -7.988 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.479 6.515 -8.461 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.432 5.636 -8.440 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.844 7.143 -7.698 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.764 5.972 -6.724 1.00 0.00 H new ATOM 745 N ILE A 48 2.136 4.270 -3.098 1.00 0.00 N ATOM 746 CA ILE A 48 2.390 4.213 -1.661 1.00 0.00 C ATOM 747 C ILE A 48 3.707 3.477 -1.328 1.00 0.00 C ATOM 748 O ILE A 48 4.165 2.635 -2.100 1.00 0.00 O ATOM 749 CB ILE A 48 1.183 3.508 -0.976 1.00 0.00 C ATOM 750 CG1 ILE A 48 0.218 4.535 -0.372 1.00 0.00 C ATOM 751 CG2 ILE A 48 1.617 2.495 0.074 1.00 0.00 C ATOM 752 CD1 ILE A 48 0.822 5.388 0.722 1.00 0.00 C ATOM 0 H ILE A 48 2.590 3.533 -3.638 1.00 0.00 H new ATOM 0 HA ILE A 48 2.501 5.230 -1.286 1.00 0.00 H new ATOM 0 HB ILE A 48 0.661 2.954 -1.756 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.144 5.187 -1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.649 4.010 0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.736 2.033 0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.232 1.726 -0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.194 2.999 0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.073 6.087 1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.159 4.749 1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.670 5.944 0.323 1.00 0.00 H new ATOM 764 N PRO A 49 4.244 3.687 -0.103 1.00 0.00 N ATOM 765 CA PRO A 49 5.478 3.036 0.384 1.00 0.00 C ATOM 766 C PRO A 49 5.350 1.561 0.756 1.00 0.00 C ATOM 767 O PRO A 49 4.384 1.134 1.386 1.00 0.00 O ATOM 768 CB PRO A 49 5.846 3.861 1.629 1.00 0.00 C ATOM 769 CG PRO A 49 4.944 5.049 1.598 1.00 0.00 C ATOM 770 CD PRO A 49 3.703 4.584 0.918 1.00 0.00 C ATOM 0 HA PRO A 49 6.224 3.024 -0.410 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.701 3.282 2.541 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.893 4.162 1.605 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.730 5.406 2.605 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.402 5.877 1.057 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.030 4.067 1.602 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.141 5.410 0.482 1.00 0.00 H new ATOM 778 N SER A 50 6.336 0.799 0.285 1.00 0.00 N ATOM 779 CA SER A 50 6.405 -0.637 0.546 1.00 0.00 C ATOM 780 C SER A 50 6.868 -0.881 1.987 1.00 0.00 C ATOM 781 O SER A 50 6.493 -1.864 2.623 1.00 0.00 O ATOM 782 CB SER A 50 7.347 -1.337 -0.439 1.00 0.00 C ATOM 783 OG SER A 50 6.678 -2.380 -1.131 1.00 0.00 O ATOM 0 H SER A 50 7.104 1.156 -0.284 1.00 0.00 H new ATOM 0 HA SER A 50 5.408 -1.057 0.410 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.735 -0.612 -1.154 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.204 -1.744 0.098 1.00 0.00 H new ATOM 0 HG SER A 50 7.300 -2.810 -1.755 1.00 0.00 H new ATOM 789 N ASN A 51 7.718 0.022 2.473 1.00 0.00 N ATOM 790 CA ASN A 51 8.281 -0.096 3.824 1.00 0.00 C ATOM 791 C ASN A 51 7.233 0.128 4.915 1.00 0.00 C ATOM 792 O ASN A 51 7.444 -0.252 6.068 1.00 0.00 O ATOM 793 CB ASN A 51 9.432 0.905 4.035 1.00 0.00 C ATOM 794 CG ASN A 51 9.879 1.616 2.770 1.00 0.00 C ATOM 795 OD1 ASN A 51 9.907 1.032 1.686 1.00 0.00 O ATOM 796 ND2 ASN A 51 10.230 2.888 2.907 1.00 0.00 N ATOM 0 H ASN A 51 8.033 0.843 1.956 1.00 0.00 H new ATOM 0 HA ASN A 51 8.655 -1.117 3.905 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.120 1.651 4.767 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.284 0.376 4.462 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.539 3.422 2.095 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.191 3.332 3.825 1.00 0.00 H new ATOM 803 N TYR A 52 6.089 0.699 4.547 1.00 0.00 N ATOM 804 CA TYR A 52 5.012 0.924 5.510 1.00 0.00 C ATOM 805 C TYR A 52 4.028 -0.243 5.497 1.00 0.00 C ATOM 806 O TYR A 52 3.075 -0.280 6.288 1.00 0.00 O ATOM 807 CB TYR A 52 4.268 2.224 5.193 1.00 0.00 C ATOM 808 CG TYR A 52 5.140 3.460 5.212 1.00 0.00 C ATOM 809 CD1 TYR A 52 6.466 3.409 5.634 1.00 0.00 C ATOM 810 CD2 TYR A 52 4.629 4.685 4.807 1.00 0.00 C ATOM 811 CE1 TYR A 52 7.253 4.545 5.649 1.00 0.00 C ATOM 812 CE2 TYR A 52 5.410 5.825 4.820 1.00 0.00 C ATOM 813 CZ TYR A 52 6.720 5.751 5.241 1.00 0.00 C ATOM 814 OH TYR A 52 7.498 6.884 5.256 1.00 0.00 O ATOM 0 H TYR A 52 5.884 1.012 3.598 1.00 0.00 H new ATOM 0 HA TYR A 52 5.459 1.003 6.501 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.806 2.134 4.210 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.461 2.352 5.914 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.886 2.467 5.955 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.603 4.749 4.476 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.280 4.489 5.978 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.995 6.770 4.502 1.00 0.00 H new ATOM 0 HH TYR A 52 7.092 7.552 5.847 1.00 0.00 H new ATOM 824 N ILE A 53 4.346 -1.255 4.684 1.00 0.00 N ATOM 825 CA ILE A 53 3.544 -2.465 4.583 1.00 0.00 C ATOM 826 C ILE A 53 4.379 -3.711 4.805 1.00 0.00 C ATOM 827 O ILE A 53 5.603 -3.711 4.677 1.00 0.00 O ATOM 828 CB ILE A 53 2.911 -2.579 3.168 1.00 0.00 C ATOM 829 CG1 ILE A 53 3.943 -3.063 2.136 1.00 0.00 C ATOM 830 CG2 ILE A 53 2.332 -1.249 2.729 1.00 0.00 C ATOM 831 CD1 ILE A 53 3.534 -4.332 1.420 1.00 0.00 C ATOM 0 H ILE A 53 5.168 -1.253 4.080 1.00 0.00 H new ATOM 0 HA ILE A 53 2.775 -2.395 5.352 1.00 0.00 H new ATOM 0 HB ILE A 53 2.107 -3.313 3.226 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.104 -2.276 1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.896 -3.230 2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.894 -1.353 1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.562 -0.937 3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.123 -0.499 2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.309 -4.614 0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.401 -5.133 2.147 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.597 -4.164 0.889 1.00 0.00 H new ATOM 843 N GLU A 54 3.662 -4.780 5.141 1.00 0.00 N ATOM 844 CA GLU A 54 4.213 -6.094 5.384 1.00 0.00 C ATOM 845 C GLU A 54 3.240 -7.146 4.849 1.00 0.00 C ATOM 846 O GLU A 54 2.026 -7.054 5.092 1.00 0.00 O ATOM 847 CB GLU A 54 4.423 -6.344 6.881 1.00 0.00 C ATOM 848 CG GLU A 54 5.887 -6.414 7.287 1.00 0.00 C ATOM 849 CD GLU A 54 6.075 -6.561 8.784 1.00 0.00 C ATOM 850 OE1 GLU A 54 5.578 -7.557 9.352 1.00 0.00 O ATOM 851 OE2 GLU A 54 6.724 -5.682 9.390 1.00 0.00 O ATOM 0 H GLU A 54 2.649 -4.746 5.253 1.00 0.00 H new ATOM 0 HA GLU A 54 5.178 -6.158 4.881 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.936 -5.549 7.445 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.933 -7.278 7.157 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.360 -7.256 6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.397 -5.512 6.948 1.00 0.00 H new ATOM 858 N MET A 55 3.748 -8.160 4.164 1.00 0.00 N ATOM 859 CA MET A 55 2.881 -9.195 3.625 1.00 0.00 C ATOM 860 C MET A 55 2.412 -10.183 4.692 1.00 0.00 C ATOM 861 O MET A 55 3.233 -10.807 5.363 1.00 0.00 O ATOM 862 CB MET A 55 3.592 -9.943 2.500 1.00 0.00 C ATOM 863 CG MET A 55 2.696 -10.218 1.307 1.00 0.00 C ATOM 864 SD MET A 55 3.580 -10.972 -0.069 1.00 0.00 S ATOM 865 CE MET A 55 2.479 -10.587 -1.428 1.00 0.00 C ATOM 0 H MET A 55 4.741 -8.287 3.971 1.00 0.00 H new ATOM 0 HA MET A 55 1.994 -8.696 3.235 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.454 -9.361 2.173 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.974 -10.888 2.885 1.00 0.00 H new ATOM 0 HG2 MET A 55 1.882 -10.875 1.613 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.244 -9.283 0.974 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.890 -10.989 -2.354 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.501 -11.032 -1.241 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.375 -9.506 -1.517 1.00 0.00 H new ATOM 875 N LYS A 56 1.102 -10.393 4.790 1.00 0.00 N ATOM 876 CA LYS A 56 0.550 -11.378 5.714 1.00 0.00 C ATOM 877 C LYS A 56 0.764 -12.768 5.107 1.00 0.00 C ATOM 878 O LYS A 56 0.302 -13.048 4.000 1.00 0.00 O ATOM 879 CB LYS A 56 -0.936 -11.066 6.008 1.00 0.00 C ATOM 880 CG LYS A 56 -1.953 -12.026 5.398 1.00 0.00 C ATOM 881 CD LYS A 56 -2.635 -11.416 4.186 1.00 0.00 C ATOM 882 CE LYS A 56 -3.849 -12.229 3.755 1.00 0.00 C ATOM 883 NZ LYS A 56 -3.525 -13.672 3.559 1.00 0.00 N ATOM 0 H LYS A 56 0.403 -9.894 4.240 1.00 0.00 H new ATOM 0 HA LYS A 56 1.058 -11.343 6.678 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.078 -11.056 7.089 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.154 -10.060 5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.454 -12.951 5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.702 -12.288 6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.943 -10.396 4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.925 -11.356 3.361 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.632 -12.134 4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.247 -11.819 2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.330 -14.150 3.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.685 -13.760 2.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.334 -14.113 4.481 1.00 0.00 H new