USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 600 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 67 THR OG1 : rot 180:sc= -0.505 USER MOD Set 1.2: A 76 GLN : amide:sc= 0 K(o=-0.51,f=-2.2) USER MOD Set 2.1: A 47 GLN : amide:sc= -1.96 X(o=-2.5,f=-2.7!) USER MOD Set 2.2: A 56 THR OG1 : rot -56:sc= -0.519 USER MOD Single : A 1 GLY N :NH3+ -173:sc= -0.0504 (180deg=-0.121) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.0695 F(o=-0.68,f=-0.07) USER MOD Single : A 7 MET CE :methyl 150:sc= -0.526 (180deg=-1.99!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.518 K(o=-0.52,f=-3!) USER MOD Single : A 10 MET CE :methyl 149:sc= -0.177 (180deg=-0.817) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.49) USER MOD Single : A 20 HIS : no HD1:sc= -4.02! C(o=-4!,f=-7.6!) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.114) USER MOD Single : A 33 SER OG : rot 170:sc= 0.267 USER MOD Single : A 35 SER OG : rot -109:sc= -2.91! USER MOD Single : A 38 GLN : amide:sc= -0.334 K(o=-0.33,f=-2.1) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0834) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 140:sc= -3.65! USER MOD Single : A 61 LYS NZ :NH3+ -147:sc= -0.184 (180deg=-0.831) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.323 F(o=-1.2,f=-0.32) USER MOD Single : A 69 SER OG : rot 72:sc= 0.199 USER MOD Single : A 73 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.68) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.773 8.510 19.064 1.00 0.00 N ATOM 2 CA GLY A 1 -17.995 9.115 17.722 1.00 0.00 C ATOM 3 C GLY A 1 -18.276 8.079 16.651 1.00 0.00 C ATOM 4 O GLY A 1 -18.828 8.400 15.598 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.704 9.264 19.777 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.569 7.884 19.298 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.891 7.960 19.055 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.832 9.811 17.776 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.116 9.694 17.439 1.00 0.00 H new ATOM 10 N SER A 2 -17.891 6.835 16.915 1.00 0.00 N ATOM 11 CA SER A 2 -18.101 5.752 15.963 1.00 0.00 C ATOM 12 C SER A 2 -19.291 4.887 16.370 1.00 0.00 C ATOM 13 O SER A 2 -19.286 4.272 17.436 1.00 0.00 O ATOM 14 CB SER A 2 -16.840 4.894 15.864 1.00 0.00 C ATOM 15 OG SER A 2 -15.680 5.701 15.749 1.00 0.00 O ATOM 0 H SER A 2 -17.432 6.552 17.781 1.00 0.00 H new ATOM 0 HA SER A 2 -18.317 6.190 14.989 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.759 4.259 16.746 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.913 4.233 15.001 1.00 0.00 H new ATOM 0 HG SER A 2 -14.887 5.128 15.689 1.00 0.00 H new ATOM 21 N MET A 3 -20.311 4.847 15.517 1.00 0.00 N ATOM 22 CA MET A 3 -21.506 4.058 15.795 1.00 0.00 C ATOM 23 C MET A 3 -21.416 2.677 15.150 1.00 0.00 C ATOM 24 O MET A 3 -21.478 1.657 15.837 1.00 0.00 O ATOM 25 CB MET A 3 -22.755 4.786 15.296 1.00 0.00 C ATOM 26 CG MET A 3 -23.416 5.652 16.357 1.00 0.00 C ATOM 27 SD MET A 3 -24.313 4.684 17.585 1.00 0.00 S ATOM 28 CE MET A 3 -23.942 5.598 19.080 1.00 0.00 C ATOM 0 H MET A 3 -20.334 5.350 14.630 1.00 0.00 H new ATOM 0 HA MET A 3 -21.577 3.929 16.875 1.00 0.00 H new ATOM 0 HB2 MET A 3 -22.486 5.411 14.444 1.00 0.00 H new ATOM 0 HB3 MET A 3 -23.476 4.051 14.937 1.00 0.00 H new ATOM 0 HG2 MET A 3 -22.655 6.251 16.857 1.00 0.00 H new ATOM 0 HG3 MET A 3 -24.103 6.348 15.876 1.00 0.00 H new ATOM 0 HE1 MET A 3 -24.429 5.119 19.929 1.00 0.00 H new ATOM 0 HE2 MET A 3 -22.864 5.611 19.240 1.00 0.00 H new ATOM 0 HE3 MET A 3 -24.307 6.620 18.981 1.00 0.00 H new ATOM 38 N ILE A 4 -21.276 2.649 13.827 1.00 0.00 N ATOM 39 CA ILE A 4 -21.183 1.389 13.097 1.00 0.00 C ATOM 40 C ILE A 4 -19.834 1.244 12.394 1.00 0.00 C ATOM 41 O ILE A 4 -19.336 0.133 12.216 1.00 0.00 O ATOM 42 CB ILE A 4 -22.318 1.250 12.060 1.00 0.00 C ATOM 43 CG1 ILE A 4 -22.284 -0.138 11.419 1.00 0.00 C ATOM 44 CG2 ILE A 4 -22.219 2.334 10.995 1.00 0.00 C ATOM 45 CD1 ILE A 4 -23.650 -0.646 11.014 1.00 0.00 C ATOM 0 H ILE A 4 -21.225 3.482 13.241 1.00 0.00 H new ATOM 0 HA ILE A 4 -21.281 0.594 13.837 1.00 0.00 H new ATOM 0 HB ILE A 4 -23.270 1.372 12.577 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -21.640 -0.108 10.540 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -21.835 -0.843 12.119 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -23.030 2.214 10.277 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -22.294 3.314 11.466 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -21.262 2.251 10.479 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -23.552 -1.635 10.566 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -24.291 -0.707 11.894 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -24.093 0.038 10.290 1.00 0.00 H new ATOM 57 N HIS A 5 -19.248 2.369 11.997 1.00 0.00 N ATOM 58 CA HIS A 5 -17.957 2.358 11.318 1.00 0.00 C ATOM 59 C HIS A 5 -16.823 2.484 12.328 1.00 0.00 C ATOM 60 O HIS A 5 -16.928 3.233 13.293 1.00 0.00 O ATOM 61 CB HIS A 5 -17.875 3.505 10.307 1.00 0.00 C ATOM 62 CG HIS A 5 -18.481 3.185 8.974 1.00 0.00 C ATOM 63 ND1 HIS A 5 -19.766 3.235 8.546 1.00 0.00 N flip ATOM 64 CD2 HIS A 5 -17.738 2.765 7.892 1.00 0.00 C flip ATOM 65 CE1 HIS A 5 -19.771 2.849 7.228 1.00 0.00 C flip ATOM 66 NE2 HIS A 5 -18.535 2.571 6.855 1.00 0.00 N flip ATOM 0 H HIS A 5 -19.646 3.298 12.133 1.00 0.00 H new ATOM 0 HA HIS A 5 -17.858 1.410 10.789 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -18.377 4.379 10.723 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -16.829 3.776 10.164 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -16.668 2.617 7.891 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -20.645 2.783 6.598 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -18.245 2.260 5.928 1.00 0.00 H new ATOM 74 N ARG A 6 -15.741 1.749 12.098 1.00 0.00 N ATOM 75 CA ARG A 6 -14.593 1.790 12.997 1.00 0.00 C ATOM 76 C ARG A 6 -13.360 1.168 12.346 1.00 0.00 C ATOM 77 O ARG A 6 -13.262 -0.052 12.210 1.00 0.00 O ATOM 78 CB ARG A 6 -14.918 1.072 14.310 1.00 0.00 C ATOM 79 CG ARG A 6 -15.539 -0.304 14.120 1.00 0.00 C ATOM 80 CD ARG A 6 -15.482 -1.125 15.401 1.00 0.00 C ATOM 81 NE ARG A 6 -16.816 -1.424 15.922 1.00 0.00 N ATOM 82 CZ ARG A 6 -17.535 -2.486 15.561 1.00 0.00 C ATOM 83 NH1 ARG A 6 -17.066 -3.349 14.669 1.00 0.00 N ATOM 84 NH2 ARG A 6 -18.732 -2.684 16.097 1.00 0.00 N ATOM 0 H ARG A 6 -15.634 1.121 11.302 1.00 0.00 H new ATOM 0 HA ARG A 6 -14.371 2.836 13.211 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -14.003 0.970 14.894 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -15.600 1.691 14.893 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -16.576 -0.195 13.802 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -15.016 -0.834 13.324 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -14.950 -2.057 15.210 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -14.912 -0.581 16.155 1.00 0.00 H new ATOM 0 HE ARG A 6 -17.220 -0.781 16.603 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -16.147 -3.203 14.252 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -17.625 -4.159 14.400 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -19.099 -2.024 16.783 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -19.285 -3.496 15.823 1.00 0.00 H new ATOM 98 N MET A 7 -12.418 2.019 11.947 1.00 0.00 N ATOM 99 CA MET A 7 -11.186 1.561 11.313 1.00 0.00 C ATOM 100 C MET A 7 -10.033 1.571 12.313 1.00 0.00 C ATOM 101 O MET A 7 -9.804 2.567 12.998 1.00 0.00 O ATOM 102 CB MET A 7 -10.844 2.450 10.114 1.00 0.00 C ATOM 103 CG MET A 7 -11.119 1.793 8.772 1.00 0.00 C ATOM 104 SD MET A 7 -12.608 2.427 7.973 1.00 0.00 S ATOM 105 CE MET A 7 -12.281 4.189 7.985 1.00 0.00 C ATOM 0 H MET A 7 -12.485 3.031 12.052 1.00 0.00 H new ATOM 0 HA MET A 7 -11.339 0.539 10.965 1.00 0.00 H new ATOM 0 HB2 MET A 7 -11.419 3.374 10.182 1.00 0.00 H new ATOM 0 HB3 MET A 7 -9.791 2.726 10.165 1.00 0.00 H new ATOM 0 HG2 MET A 7 -10.264 1.950 8.114 1.00 0.00 H new ATOM 0 HG3 MET A 7 -11.219 0.717 8.913 1.00 0.00 H new ATOM 0 HE1 MET A 7 -12.765 4.655 7.127 1.00 0.00 H new ATOM 0 HE2 MET A 7 -12.673 4.625 8.904 1.00 0.00 H new ATOM 0 HE3 MET A 7 -11.206 4.360 7.932 1.00 0.00 H new ATOM 115 N SER A 8 -9.311 0.458 12.393 1.00 0.00 N ATOM 116 CA SER A 8 -8.186 0.344 13.311 1.00 0.00 C ATOM 117 C SER A 8 -7.112 -0.584 12.751 1.00 0.00 C ATOM 118 O SER A 8 -5.971 -0.174 12.541 1.00 0.00 O ATOM 119 CB SER A 8 -8.660 -0.173 14.670 1.00 0.00 C ATOM 120 OG SER A 8 -7.607 -0.155 15.618 1.00 0.00 O ATOM 0 H SER A 8 -9.486 -0.377 11.833 1.00 0.00 H new ATOM 0 HA SER A 8 -7.753 1.337 13.435 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.486 0.441 15.028 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.040 -1.189 14.564 1.00 0.00 H new ATOM 0 HG SER A 8 -7.936 -0.488 16.479 1.00 0.00 H new ATOM 126 N ASN A 9 -7.487 -1.837 12.512 1.00 0.00 N ATOM 127 CA ASN A 9 -6.555 -2.822 11.977 1.00 0.00 C ATOM 128 C ASN A 9 -6.842 -3.099 10.504 1.00 0.00 C ATOM 129 O ASN A 9 -5.921 -3.257 9.703 1.00 0.00 O ATOM 130 CB ASN A 9 -6.629 -4.124 12.779 1.00 0.00 C ATOM 131 CG ASN A 9 -8.055 -4.539 13.083 1.00 0.00 C ATOM 132 OD1 ASN A 9 -8.729 -5.143 12.249 1.00 0.00 O ATOM 133 ND2 ASN A 9 -8.521 -4.217 14.284 1.00 0.00 N ATOM 0 H ASN A 9 -8.428 -2.193 12.680 1.00 0.00 H new ATOM 0 HA ASN A 9 -5.548 -2.413 12.062 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.134 -4.919 12.221 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.082 -4.002 13.714 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.473 -4.471 14.546 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.927 -3.716 14.944 1.00 0.00 H new ATOM 140 N MET A 10 -8.124 -3.155 10.153 1.00 0.00 N ATOM 141 CA MET A 10 -8.526 -3.411 8.774 1.00 0.00 C ATOM 142 C MET A 10 -8.483 -2.131 7.947 1.00 0.00 C ATOM 143 O MET A 10 -9.507 -1.478 7.744 1.00 0.00 O ATOM 144 CB MET A 10 -9.933 -4.008 8.725 1.00 0.00 C ATOM 145 CG MET A 10 -10.084 -5.284 9.540 1.00 0.00 C ATOM 146 SD MET A 10 -10.804 -6.638 8.589 1.00 0.00 S ATOM 147 CE MET A 10 -9.614 -6.791 7.257 1.00 0.00 C ATOM 0 H MET A 10 -8.900 -3.027 10.803 1.00 0.00 H new ATOM 0 HA MET A 10 -7.821 -4.126 8.350 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.645 -3.268 9.090 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.194 -4.217 7.687 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.107 -5.588 9.915 1.00 0.00 H new ATOM 0 HG3 MET A 10 -10.710 -5.083 10.409 1.00 0.00 H new ATOM 0 HE1 MET A 10 -9.568 -7.829 6.928 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.918 -6.159 6.423 1.00 0.00 H new ATOM 0 HE3 MET A 10 -8.631 -6.478 7.609 1.00 0.00 H new ATOM 157 N ALA A 11 -7.295 -1.780 7.470 1.00 0.00 N ATOM 158 CA ALA A 11 -7.127 -0.580 6.660 1.00 0.00 C ATOM 159 C ALA A 11 -7.396 -0.880 5.191 1.00 0.00 C ATOM 160 O ALA A 11 -6.863 -1.841 4.639 1.00 0.00 O ATOM 161 CB ALA A 11 -5.726 -0.014 6.834 1.00 0.00 C ATOM 0 H ALA A 11 -6.436 -2.307 7.629 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.849 0.164 6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.617 0.882 6.223 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.564 0.240 7.882 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.992 -0.757 6.523 1.00 0.00 H new ATOM 167 N THR A 12 -8.221 -0.053 4.562 1.00 0.00 N ATOM 168 CA THR A 12 -8.553 -0.231 3.154 1.00 0.00 C ATOM 169 C THR A 12 -8.560 1.111 2.432 1.00 0.00 C ATOM 170 O THR A 12 -9.123 2.090 2.923 1.00 0.00 O ATOM 171 CB THR A 12 -9.915 -0.917 3.003 1.00 0.00 C ATOM 172 OG1 THR A 12 -10.651 -0.850 4.212 1.00 0.00 O ATOM 173 CG2 THR A 12 -9.807 -2.376 2.609 1.00 0.00 C ATOM 0 H THR A 12 -8.673 0.748 5.004 1.00 0.00 H new ATOM 0 HA THR A 12 -7.791 -0.867 2.703 1.00 0.00 H new ATOM 0 HB THR A 12 -10.424 -0.377 2.205 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.517 -1.292 4.093 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.806 -2.803 2.519 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.290 -2.457 1.653 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.248 -2.918 3.371 1.00 0.00 H new ATOM 181 N PHE A 13 -7.928 1.153 1.265 1.00 0.00 N ATOM 182 CA PHE A 13 -7.859 2.378 0.477 1.00 0.00 C ATOM 183 C PHE A 13 -8.797 2.311 -0.727 1.00 0.00 C ATOM 184 O PHE A 13 -9.154 1.230 -1.191 1.00 0.00 O ATOM 185 CB PHE A 13 -6.424 2.625 0.011 1.00 0.00 C ATOM 186 CG PHE A 13 -6.270 3.857 -0.837 1.00 0.00 C ATOM 187 CD1 PHE A 13 -6.535 5.117 -0.323 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.856 3.748 -2.152 1.00 0.00 C ATOM 189 CE1 PHE A 13 -6.389 6.244 -1.110 1.00 0.00 C ATOM 190 CE2 PHE A 13 -5.708 4.869 -2.942 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.975 6.120 -2.422 1.00 0.00 C ATOM 0 H PHE A 13 -7.456 0.353 0.843 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.177 3.206 1.110 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.777 2.712 0.884 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.081 1.759 -0.555 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.859 5.219 0.702 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.646 2.773 -2.566 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.598 7.221 -0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.383 4.768 -3.967 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.860 6.999 -3.039 1.00 0.00 H new ATOM 201 N SER A 14 -9.192 3.475 -1.231 1.00 0.00 N ATOM 202 CA SER A 14 -10.082 3.545 -2.383 1.00 0.00 C ATOM 203 C SER A 14 -9.326 3.997 -3.631 1.00 0.00 C ATOM 204 O SER A 14 -8.446 4.854 -3.555 1.00 0.00 O ATOM 205 CB SER A 14 -11.239 4.507 -2.097 1.00 0.00 C ATOM 206 OG SER A 14 -12.305 3.855 -1.420 1.00 0.00 O ATOM 0 H SER A 14 -8.910 4.382 -0.860 1.00 0.00 H new ATOM 0 HA SER A 14 -10.481 2.547 -2.565 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.879 5.341 -1.494 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.605 4.926 -3.034 1.00 0.00 H new ATOM 0 HG SER A 14 -13.026 4.497 -1.251 1.00 0.00 H new ATOM 212 N LEU A 15 -9.681 3.426 -4.779 1.00 0.00 N ATOM 213 CA LEU A 15 -9.037 3.789 -6.040 1.00 0.00 C ATOM 214 C LEU A 15 -9.960 4.674 -6.875 1.00 0.00 C ATOM 215 O LEU A 15 -9.518 5.647 -7.483 1.00 0.00 O ATOM 216 CB LEU A 15 -8.639 2.535 -6.823 1.00 0.00 C ATOM 217 CG LEU A 15 -7.201 2.525 -7.339 1.00 0.00 C ATOM 218 CD1 LEU A 15 -6.910 1.231 -8.079 1.00 0.00 C ATOM 219 CD2 LEU A 15 -6.951 3.722 -8.240 1.00 0.00 C ATOM 0 H LEU A 15 -10.407 2.714 -4.863 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.131 4.352 -5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.786 1.664 -6.184 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.314 2.425 -7.672 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.528 2.591 -6.484 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.881 1.241 -8.439 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.049 0.387 -7.404 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.590 1.135 -8.925 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.922 3.699 -8.598 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.632 3.686 -9.090 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.119 4.641 -7.679 1.00 0.00 H new ATOM 231 N GLY A 16 -11.247 4.338 -6.883 1.00 0.00 N ATOM 232 CA GLY A 16 -12.219 5.124 -7.626 1.00 0.00 C ATOM 233 C GLY A 16 -12.329 4.734 -9.089 1.00 0.00 C ATOM 234 O GLY A 16 -12.413 5.600 -9.960 1.00 0.00 O ATOM 0 H GLY A 16 -11.635 3.535 -6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.196 5.016 -7.156 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.948 6.178 -7.559 1.00 0.00 H new ATOM 238 N LYS A 17 -12.342 3.432 -9.365 1.00 0.00 N ATOM 239 CA LYS A 17 -12.457 2.941 -10.738 1.00 0.00 C ATOM 240 C LYS A 17 -11.442 3.625 -11.659 1.00 0.00 C ATOM 241 O LYS A 17 -11.812 4.269 -12.641 1.00 0.00 O ATOM 242 CB LYS A 17 -13.880 3.170 -11.259 1.00 0.00 C ATOM 243 CG LYS A 17 -14.760 1.930 -11.204 1.00 0.00 C ATOM 244 CD LYS A 17 -15.960 2.131 -10.289 1.00 0.00 C ATOM 245 CE LYS A 17 -17.233 1.566 -10.904 1.00 0.00 C ATOM 246 NZ LYS A 17 -17.954 0.663 -9.964 1.00 0.00 N ATOM 0 H LYS A 17 -12.275 2.699 -8.659 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.242 1.872 -10.735 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.348 3.963 -10.675 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.828 3.522 -12.289 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -15.105 1.684 -12.208 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.172 1.082 -10.852 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -15.773 1.648 -9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -16.092 3.194 -10.089 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -17.890 2.386 -11.195 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -16.984 1.019 -11.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -18.814 0.300 -10.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -17.337 -0.134 -9.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -18.215 1.191 -9.107 1.00 0.00 H new ATOM 260 N HIS A 18 -10.162 3.477 -11.337 1.00 0.00 N ATOM 261 CA HIS A 18 -9.097 4.077 -12.134 1.00 0.00 C ATOM 262 C HIS A 18 -8.226 2.990 -12.764 1.00 0.00 C ATOM 263 O HIS A 18 -8.295 1.828 -12.365 1.00 0.00 O ATOM 264 CB HIS A 18 -8.248 5.002 -11.259 1.00 0.00 C ATOM 265 CG HIS A 18 -8.886 6.330 -10.993 1.00 0.00 C ATOM 266 ND1 HIS A 18 -8.650 7.064 -9.848 1.00 0.00 N ATOM 267 CD2 HIS A 18 -9.759 7.059 -11.729 1.00 0.00 C ATOM 268 CE1 HIS A 18 -9.351 8.184 -9.890 1.00 0.00 C ATOM 269 NE2 HIS A 18 -10.030 8.204 -11.021 1.00 0.00 N ATOM 0 H HIS A 18 -9.836 2.946 -10.529 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.545 4.665 -12.935 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.049 4.507 -10.308 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.284 5.162 -11.743 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -10.166 6.790 -12.693 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.365 8.951 -9.129 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -10.656 8.951 -11.322 1.00 0.00 H new ATOM 277 N PRO A 19 -7.394 3.345 -13.761 1.00 0.00 N ATOM 278 CA PRO A 19 -6.517 2.382 -14.439 1.00 0.00 C ATOM 279 C PRO A 19 -5.576 1.673 -13.472 1.00 0.00 C ATOM 280 O PRO A 19 -5.317 0.481 -13.617 1.00 0.00 O ATOM 281 CB PRO A 19 -5.720 3.241 -15.429 1.00 0.00 C ATOM 282 CG PRO A 19 -5.886 4.645 -14.953 1.00 0.00 C ATOM 283 CD PRO A 19 -7.242 4.701 -14.312 1.00 0.00 C ATOM 0 HA PRO A 19 -7.089 1.587 -14.917 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.669 2.952 -15.443 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.097 3.123 -16.445 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.105 4.911 -14.241 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.816 5.350 -15.781 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.291 5.462 -13.534 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.023 4.934 -15.036 1.00 0.00 H new ATOM 291 N HIS A 20 -5.074 2.423 -12.488 1.00 0.00 N ATOM 292 CA HIS A 20 -4.158 1.894 -11.474 1.00 0.00 C ATOM 293 C HIS A 20 -3.461 3.029 -10.732 1.00 0.00 C ATOM 294 O HIS A 20 -3.781 4.201 -10.929 1.00 0.00 O ATOM 295 CB HIS A 20 -3.119 0.949 -12.087 1.00 0.00 C ATOM 296 CG HIS A 20 -2.018 1.659 -12.793 1.00 0.00 C ATOM 297 ND1 HIS A 20 -1.036 2.349 -12.127 1.00 0.00 N ATOM 298 CD2 HIS A 20 -1.747 1.793 -14.111 1.00 0.00 C ATOM 299 CE1 HIS A 20 -0.208 2.879 -12.997 1.00 0.00 C ATOM 300 NE2 HIS A 20 -0.613 2.558 -14.211 1.00 0.00 N ATOM 0 H HIS A 20 -5.291 3.413 -12.372 1.00 0.00 H new ATOM 0 HA HIS A 20 -4.756 1.321 -10.765 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.694 0.328 -11.299 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.617 0.279 -12.787 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.316 1.377 -14.929 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.659 3.477 -12.759 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.158 2.834 -15.081 1.00 0.00 H new ATOM 308 N VAL A 21 -2.509 2.672 -9.876 1.00 0.00 N ATOM 309 CA VAL A 21 -1.770 3.674 -9.103 1.00 0.00 C ATOM 310 C VAL A 21 -0.316 3.268 -8.872 1.00 0.00 C ATOM 311 O VAL A 21 0.061 2.116 -9.075 1.00 0.00 O ATOM 312 CB VAL A 21 -2.422 3.904 -7.731 1.00 0.00 C ATOM 313 CG1 VAL A 21 -3.621 4.832 -7.846 1.00 0.00 C ATOM 314 CG2 VAL A 21 -2.819 2.575 -7.117 1.00 0.00 C ATOM 0 H VAL A 21 -2.230 1.707 -9.698 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.797 4.589 -9.694 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.696 4.386 -7.077 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.064 4.978 -6.861 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.300 5.794 -8.246 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.360 4.390 -8.514 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.280 2.747 -6.145 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.529 2.070 -7.771 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.933 1.952 -6.993 1.00 0.00 H new ATOM 324 N GLU A 22 0.490 4.232 -8.430 1.00 0.00 N ATOM 325 CA GLU A 22 1.894 4.005 -8.148 1.00 0.00 C ATOM 326 C GLU A 22 2.084 3.722 -6.659 1.00 0.00 C ATOM 327 O GLU A 22 1.416 4.330 -5.824 1.00 0.00 O ATOM 328 CB GLU A 22 2.694 5.240 -8.552 1.00 0.00 C ATOM 329 CG GLU A 22 2.838 5.414 -10.055 1.00 0.00 C ATOM 330 CD GLU A 22 3.777 6.545 -10.428 1.00 0.00 C ATOM 331 OE1 GLU A 22 4.591 6.950 -9.571 1.00 0.00 O ATOM 332 OE2 GLU A 22 3.699 7.026 -11.578 1.00 0.00 O ATOM 0 H GLU A 22 0.182 5.189 -8.260 1.00 0.00 H new ATOM 0 HA GLU A 22 2.246 3.144 -8.716 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.211 6.125 -8.138 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.687 5.180 -8.106 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.205 4.485 -10.490 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.857 5.604 -10.490 1.00 0.00 H new ATOM 339 N LEU A 23 2.976 2.787 -6.324 1.00 0.00 N ATOM 340 CA LEU A 23 3.213 2.429 -4.923 1.00 0.00 C ATOM 341 C LEU A 23 3.311 3.668 -4.034 1.00 0.00 C ATOM 342 O LEU A 23 2.942 3.625 -2.860 1.00 0.00 O ATOM 343 CB LEU A 23 4.471 1.569 -4.771 1.00 0.00 C ATOM 344 CG LEU A 23 5.716 2.064 -5.510 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.558 2.956 -4.606 1.00 0.00 C ATOM 346 CD2 LEU A 23 6.539 0.883 -6.005 1.00 0.00 C ATOM 0 H LEU A 23 3.541 2.268 -6.996 1.00 0.00 H new ATOM 0 HA LEU A 23 2.354 1.843 -4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.709 1.493 -3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.243 0.562 -5.119 1.00 0.00 H new ATOM 0 HG LEU A 23 5.396 2.652 -6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.439 3.298 -5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.968 3.817 -4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.871 2.392 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.422 1.249 -6.529 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.848 0.273 -5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.937 0.280 -6.685 1.00 0.00 H new ATOM 358 N CYS A 24 3.792 4.772 -4.590 1.00 0.00 N ATOM 359 CA CYS A 24 3.910 6.006 -3.826 1.00 0.00 C ATOM 360 C CYS A 24 2.529 6.577 -3.522 1.00 0.00 C ATOM 361 O CYS A 24 2.276 7.056 -2.421 1.00 0.00 O ATOM 362 CB CYS A 24 4.748 7.035 -4.591 1.00 0.00 C ATOM 363 SG CYS A 24 6.042 7.814 -3.598 1.00 0.00 S ATOM 0 H CYS A 24 4.104 4.838 -5.559 1.00 0.00 H new ATOM 0 HA CYS A 24 4.411 5.779 -2.885 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.208 6.547 -5.450 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.087 7.810 -4.980 1.00 0.00 H new ATOM 0 HG CYS A 24 6.697 8.665 -4.330 1.00 0.00 H new ATOM 369 N ASP A 25 1.637 6.514 -4.504 1.00 0.00 N ATOM 370 CA ASP A 25 0.279 7.023 -4.336 1.00 0.00 C ATOM 371 C ASP A 25 -0.470 6.242 -3.259 1.00 0.00 C ATOM 372 O ASP A 25 -0.901 6.810 -2.255 1.00 0.00 O ATOM 373 CB ASP A 25 -0.486 6.946 -5.659 1.00 0.00 C ATOM 374 CG ASP A 25 0.203 7.716 -6.768 1.00 0.00 C ATOM 375 OD1 ASP A 25 1.442 7.859 -6.711 1.00 0.00 O ATOM 376 OD2 ASP A 25 -0.497 8.176 -7.695 1.00 0.00 O ATOM 0 H ASP A 25 1.828 6.116 -5.424 1.00 0.00 H new ATOM 0 HA ASP A 25 0.348 8.065 -4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.591 5.902 -5.955 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.493 7.340 -5.518 1.00 0.00 H new ATOM 381 N LEU A 26 -0.626 4.939 -3.477 1.00 0.00 N ATOM 382 CA LEU A 26 -1.328 4.074 -2.530 1.00 0.00 C ATOM 383 C LEU A 26 -0.819 4.268 -1.108 1.00 0.00 C ATOM 384 O LEU A 26 -1.602 4.436 -0.173 1.00 0.00 O ATOM 385 CB LEU A 26 -1.159 2.608 -2.931 1.00 0.00 C ATOM 386 CG LEU A 26 -2.384 1.727 -2.688 1.00 0.00 C ATOM 387 CD1 LEU A 26 -3.402 1.937 -3.791 1.00 0.00 C ATOM 388 CD2 LEU A 26 -1.987 0.261 -2.602 1.00 0.00 C ATOM 0 H LEU A 26 -0.275 4.456 -4.304 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.383 4.347 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.902 2.564 -3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.315 2.191 -2.381 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.832 2.012 -1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.271 1.305 -3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.710 2.982 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.957 1.675 -4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.875 -0.347 -2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.515 -0.044 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.286 0.122 -1.779 1.00 0.00 H new ATOM 400 N LEU A 27 0.497 4.230 -0.956 1.00 0.00 N ATOM 401 CA LEU A 27 1.126 4.387 0.348 1.00 0.00 C ATOM 402 C LEU A 27 0.886 5.782 0.919 1.00 0.00 C ATOM 403 O LEU A 27 0.276 5.932 1.979 1.00 0.00 O ATOM 404 CB LEU A 27 2.625 4.117 0.229 1.00 0.00 C ATOM 405 CG LEU A 27 3.031 2.662 0.446 1.00 0.00 C ATOM 406 CD1 LEU A 27 2.295 1.742 -0.515 1.00 0.00 C ATOM 407 CD2 LEU A 27 4.533 2.497 0.308 1.00 0.00 C ATOM 0 H LEU A 27 1.153 4.091 -1.724 1.00 0.00 H new ATOM 0 HA LEU A 27 0.678 3.667 1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.959 4.429 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.151 4.739 0.954 1.00 0.00 H new ATOM 0 HG LEU A 27 2.750 2.381 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.603 0.711 -0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.221 1.833 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.533 2.022 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.800 1.452 0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.842 2.803 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.037 3.117 1.050 1.00 0.00 H new ATOM 419 N LYS A 28 1.373 6.801 0.218 1.00 0.00 N ATOM 420 CA LYS A 28 1.214 8.185 0.663 1.00 0.00 C ATOM 421 C LYS A 28 -0.236 8.483 1.048 1.00 0.00 C ATOM 422 O LYS A 28 -0.510 8.935 2.159 1.00 0.00 O ATOM 423 CB LYS A 28 1.675 9.152 -0.432 1.00 0.00 C ATOM 424 CG LYS A 28 2.569 10.271 0.077 1.00 0.00 C ATOM 425 CD LYS A 28 2.062 11.632 -0.370 1.00 0.00 C ATOM 426 CE LYS A 28 0.771 12.005 0.341 1.00 0.00 C ATOM 427 NZ LYS A 28 -0.381 12.075 -0.598 1.00 0.00 N ATOM 0 H LYS A 28 1.881 6.697 -0.660 1.00 0.00 H new ATOM 0 HA LYS A 28 1.835 8.324 1.548 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.211 8.591 -1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.799 9.589 -0.911 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.613 10.237 1.166 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.585 10.122 -0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.821 12.388 -0.170 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.896 11.624 -1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.561 11.271 1.119 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.895 12.968 0.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.248 11.776 -0.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.494 13.052 -0.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.208 11.446 -1.408 1.00 0.00 H new ATOM 441 N LEU A 29 -1.157 8.241 0.119 1.00 0.00 N ATOM 442 CA LEU A 29 -2.578 8.496 0.359 1.00 0.00 C ATOM 443 C LEU A 29 -3.076 7.766 1.605 1.00 0.00 C ATOM 444 O LEU A 29 -3.832 8.327 2.399 1.00 0.00 O ATOM 445 CB LEU A 29 -3.411 8.082 -0.856 1.00 0.00 C ATOM 446 CG LEU A 29 -3.758 9.219 -1.819 1.00 0.00 C ATOM 447 CD1 LEU A 29 -3.901 8.693 -3.241 1.00 0.00 C ATOM 448 CD2 LEU A 29 -5.035 9.919 -1.374 1.00 0.00 C ATOM 0 H LEU A 29 -0.947 7.869 -0.807 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.695 9.567 0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.867 7.313 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.338 7.628 -0.505 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.944 9.944 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.148 9.517 -3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.962 8.238 -3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.695 7.947 -3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.269 10.725 -2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.856 9.203 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.895 10.331 -0.374 1.00 0.00 H new ATOM 460 N GLU A 30 -2.660 6.515 1.771 1.00 0.00 N ATOM 461 CA GLU A 30 -3.083 5.721 2.923 1.00 0.00 C ATOM 462 C GLU A 30 -2.434 6.214 4.212 1.00 0.00 C ATOM 463 O GLU A 30 -2.878 5.867 5.306 1.00 0.00 O ATOM 464 CB GLU A 30 -2.740 4.248 2.715 1.00 0.00 C ATOM 465 CG GLU A 30 -3.908 3.408 2.227 1.00 0.00 C ATOM 466 CD GLU A 30 -4.976 3.221 3.288 1.00 0.00 C ATOM 467 OE1 GLU A 30 -5.133 4.123 4.138 1.00 0.00 O ATOM 468 OE2 GLU A 30 -5.654 2.172 3.270 1.00 0.00 O ATOM 0 H GLU A 30 -2.034 6.030 1.128 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.163 5.834 3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.925 4.173 1.995 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.375 3.834 3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.351 3.882 1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.541 2.432 1.910 1.00 0.00 H new ATOM 475 N GLY A 31 -1.391 7.027 4.085 1.00 0.00 N ATOM 476 CA GLY A 31 -0.722 7.546 5.261 1.00 0.00 C ATOM 477 C GLY A 31 0.514 6.752 5.641 1.00 0.00 C ATOM 478 O GLY A 31 0.927 6.763 6.800 1.00 0.00 O ATOM 0 H GLY A 31 -1.000 7.334 3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.440 8.584 5.083 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.419 7.545 6.099 1.00 0.00 H new ATOM 482 N TRP A 32 1.117 6.071 4.668 1.00 0.00 N ATOM 483 CA TRP A 32 2.320 5.288 4.932 1.00 0.00 C ATOM 484 C TRP A 32 3.528 6.214 5.062 1.00 0.00 C ATOM 485 O TRP A 32 4.110 6.343 6.139 1.00 0.00 O ATOM 486 CB TRP A 32 2.567 4.261 3.820 1.00 0.00 C ATOM 487 CG TRP A 32 1.456 3.264 3.644 1.00 0.00 C ATOM 488 CD1 TRP A 32 0.114 3.503 3.736 1.00 0.00 C ATOM 489 CD2 TRP A 32 1.591 1.867 3.332 1.00 0.00 C ATOM 490 NE1 TRP A 32 -0.588 2.348 3.497 1.00 0.00 N ATOM 491 CE2 TRP A 32 0.292 1.336 3.247 1.00 0.00 C ATOM 492 CE3 TRP A 32 2.679 1.011 3.111 1.00 0.00 C ATOM 493 CZ2 TRP A 32 0.051 0.000 2.954 1.00 0.00 C ATOM 494 CZ3 TRP A 32 2.429 -0.317 2.817 1.00 0.00 C ATOM 495 CH2 TRP A 32 1.124 -0.807 2.740 1.00 0.00 C ATOM 0 H TRP A 32 0.796 6.046 3.700 1.00 0.00 H new ATOM 0 HA TRP A 32 2.175 4.749 5.868 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.718 4.790 2.879 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.491 3.724 4.035 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -0.330 4.461 3.964 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.604 2.260 3.505 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.692 1.381 3.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.956 -0.385 2.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.258 -0.987 2.644 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.963 -1.849 2.506 1.00 0.00 H new ATOM 506 N SER A 33 3.892 6.867 3.960 1.00 0.00 N ATOM 507 CA SER A 33 5.021 7.791 3.950 1.00 0.00 C ATOM 508 C SER A 33 4.526 9.233 3.895 1.00 0.00 C ATOM 509 O SER A 33 3.561 9.537 3.193 1.00 0.00 O ATOM 510 CB SER A 33 5.929 7.497 2.754 1.00 0.00 C ATOM 511 OG SER A 33 7.105 8.288 2.793 1.00 0.00 O ATOM 0 H SER A 33 3.419 6.772 3.061 1.00 0.00 H new ATOM 0 HA SER A 33 5.593 7.655 4.868 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.199 6.441 2.750 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.388 7.691 1.828 1.00 0.00 H new ATOM 0 HG SER A 33 7.736 7.969 2.115 1.00 0.00 H new ATOM 517 N GLU A 34 5.179 10.120 4.641 1.00 0.00 N ATOM 518 CA GLU A 34 4.779 11.523 4.665 1.00 0.00 C ATOM 519 C GLU A 34 5.224 12.233 3.391 1.00 0.00 C ATOM 520 O GLU A 34 4.525 13.107 2.877 1.00 0.00 O ATOM 521 CB GLU A 34 5.385 12.220 5.886 1.00 0.00 C ATOM 522 CG GLU A 34 4.667 11.904 7.187 1.00 0.00 C ATOM 523 CD GLU A 34 4.465 13.133 8.054 1.00 0.00 C ATOM 524 OE1 GLU A 34 3.825 14.094 7.579 1.00 0.00 O ATOM 525 OE2 GLU A 34 4.948 13.133 9.205 1.00 0.00 O ATOM 0 H GLU A 34 5.980 9.895 5.231 1.00 0.00 H new ATOM 0 HA GLU A 34 3.692 11.569 4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.431 11.928 5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.368 13.298 5.724 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.698 11.458 6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.240 11.162 7.743 1.00 0.00 H new ATOM 532 N SER A 35 6.380 11.835 2.878 1.00 0.00 N ATOM 533 CA SER A 35 6.915 12.408 1.651 1.00 0.00 C ATOM 534 C SER A 35 6.779 11.420 0.502 1.00 0.00 C ATOM 535 O SER A 35 6.323 11.766 -0.587 1.00 0.00 O ATOM 536 CB SER A 35 8.380 12.794 1.839 1.00 0.00 C ATOM 537 OG SER A 35 8.973 12.023 2.865 1.00 0.00 O ATOM 0 H SER A 35 6.968 11.114 3.295 1.00 0.00 H new ATOM 0 HA SER A 35 6.344 13.305 1.412 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.923 12.645 0.906 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.453 13.853 2.085 1.00 0.00 H new ATOM 0 HG SER A 35 9.139 12.591 3.647 1.00 0.00 H new ATOM 543 N GLY A 36 7.191 10.183 0.764 1.00 0.00 N ATOM 544 CA GLY A 36 7.126 9.142 -0.242 1.00 0.00 C ATOM 545 C GLY A 36 8.503 8.625 -0.623 1.00 0.00 C ATOM 546 O GLY A 36 8.642 7.483 -1.056 1.00 0.00 O ATOM 0 H GLY A 36 7.571 9.883 1.662 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.520 8.316 0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.626 9.528 -1.130 1.00 0.00 H new ATOM 550 N ALA A 37 9.520 9.469 -0.459 1.00 0.00 N ATOM 551 CA ALA A 37 10.891 9.088 -0.789 1.00 0.00 C ATOM 552 C ALA A 37 11.849 9.342 0.377 1.00 0.00 C ATOM 553 O ALA A 37 13.039 9.037 0.288 1.00 0.00 O ATOM 554 CB ALA A 37 11.360 9.836 -2.026 1.00 0.00 C ATOM 0 H ALA A 37 9.421 10.419 -0.100 1.00 0.00 H new ATOM 0 HA ALA A 37 10.896 8.017 -0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.383 9.544 -2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.710 9.593 -2.867 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.324 10.909 -1.838 1.00 0.00 H new ATOM 560 N GLN A 38 11.332 9.905 1.466 1.00 0.00 N ATOM 561 CA GLN A 38 12.151 10.199 2.638 1.00 0.00 C ATOM 562 C GLN A 38 12.781 8.925 3.198 1.00 0.00 C ATOM 563 O GLN A 38 13.970 8.672 2.999 1.00 0.00 O ATOM 564 CB GLN A 38 11.307 10.887 3.712 1.00 0.00 C ATOM 565 CG GLN A 38 12.047 11.119 5.018 1.00 0.00 C ATOM 566 CD GLN A 38 13.169 12.127 4.874 1.00 0.00 C ATOM 567 OE1 GLN A 38 14.132 11.901 4.141 1.00 0.00 O ATOM 568 NE2 GLN A 38 13.048 13.250 5.573 1.00 0.00 N ATOM 0 H GLN A 38 10.351 10.166 1.561 1.00 0.00 H new ATOM 0 HA GLN A 38 12.954 10.870 2.333 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.958 11.845 3.328 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.422 10.281 3.909 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.344 11.468 5.774 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.455 10.173 5.374 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.232 13.395 6.168 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.771 13.967 5.515 1.00 0.00 H new ATOM 577 N ALA A 39 11.979 8.129 3.899 1.00 0.00 N ATOM 578 CA ALA A 39 12.459 6.882 4.490 1.00 0.00 C ATOM 579 C ALA A 39 12.577 5.771 3.448 1.00 0.00 C ATOM 580 O ALA A 39 12.687 4.596 3.796 1.00 0.00 O ATOM 581 CB ALA A 39 11.529 6.449 5.613 1.00 0.00 C ATOM 0 H ALA A 39 10.993 8.325 4.072 1.00 0.00 H new ATOM 0 HA ALA A 39 13.455 7.065 4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.893 5.519 6.049 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.501 7.222 6.380 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.526 6.295 5.216 1.00 0.00 H new ATOM 587 N LYS A 40 12.545 6.143 2.171 1.00 0.00 N ATOM 588 CA LYS A 40 12.639 5.170 1.093 1.00 0.00 C ATOM 589 C LYS A 40 11.464 4.201 1.148 1.00 0.00 C ATOM 590 O LYS A 40 11.563 3.056 0.706 1.00 0.00 O ATOM 591 CB LYS A 40 13.967 4.414 1.172 1.00 0.00 C ATOM 592 CG LYS A 40 15.037 4.986 0.253 1.00 0.00 C ATOM 593 CD LYS A 40 16.359 4.249 0.395 1.00 0.00 C ATOM 594 CE LYS A 40 17.312 4.600 -0.738 1.00 0.00 C ATOM 595 NZ LYS A 40 17.644 3.415 -1.578 1.00 0.00 N ATOM 0 H LYS A 40 12.455 7.110 1.860 1.00 0.00 H new ATOM 0 HA LYS A 40 12.602 5.700 0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 40 14.330 4.436 2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.798 3.368 0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.697 4.926 -0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.184 6.042 0.480 1.00 0.00 H new ATOM 0 HD2 LYS A 40 16.818 4.502 1.351 1.00 0.00 H new ATOM 0 HD3 LYS A 40 16.180 3.174 0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.863 5.372 -1.363 1.00 0.00 H new ATOM 0 HE3 LYS A 40 18.229 5.018 -0.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 18.295 3.699 -2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 18.096 2.687 -0.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.773 3.030 -1.995 1.00 0.00 H new ATOM 609 N ILE A 41 10.346 4.680 1.689 1.00 0.00 N ATOM 610 CA ILE A 41 9.135 3.878 1.802 1.00 0.00 C ATOM 611 C ILE A 41 8.667 3.416 0.423 1.00 0.00 C ATOM 612 O ILE A 41 7.991 2.397 0.294 1.00 0.00 O ATOM 613 CB ILE A 41 8.011 4.679 2.505 1.00 0.00 C ATOM 614 CG1 ILE A 41 8.479 5.112 3.904 1.00 0.00 C ATOM 615 CG2 ILE A 41 6.722 3.866 2.585 1.00 0.00 C ATOM 616 CD1 ILE A 41 7.378 5.651 4.799 1.00 0.00 C ATOM 0 H ILE A 41 10.256 5.627 2.058 1.00 0.00 H new ATOM 0 HA ILE A 41 9.365 3.000 2.406 1.00 0.00 H new ATOM 0 HB ILE A 41 7.796 5.570 1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.945 4.259 4.397 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.248 5.877 3.795 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.951 4.454 3.083 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.390 3.611 1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.903 2.952 3.150 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.799 5.932 5.765 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.925 6.526 4.332 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.618 4.883 4.944 1.00 0.00 H new ATOM 628 N ALA A 42 9.043 4.169 -0.608 1.00 0.00 N ATOM 629 CA ALA A 42 8.665 3.828 -1.976 1.00 0.00 C ATOM 630 C ALA A 42 9.382 2.564 -2.447 1.00 0.00 C ATOM 631 O ALA A 42 8.793 1.479 -2.476 1.00 0.00 O ATOM 632 CB ALA A 42 8.955 4.990 -2.916 1.00 0.00 C ATOM 0 H ALA A 42 9.606 5.015 -0.523 1.00 0.00 H new ATOM 0 HA ALA A 42 7.593 3.630 -1.989 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.667 4.717 -3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.386 5.864 -2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.020 5.221 -2.891 1.00 0.00 H new ATOM 638 N ILE A 43 10.657 2.703 -2.810 1.00 0.00 N ATOM 639 CA ILE A 43 11.445 1.564 -3.273 1.00 0.00 C ATOM 640 C ILE A 43 11.296 0.385 -2.318 1.00 0.00 C ATOM 641 O ILE A 43 11.256 -0.772 -2.742 1.00 0.00 O ATOM 642 CB ILE A 43 12.942 1.915 -3.408 1.00 0.00 C ATOM 643 CG1 ILE A 43 13.130 3.195 -4.229 1.00 0.00 C ATOM 644 CG2 ILE A 43 13.697 0.759 -4.047 1.00 0.00 C ATOM 645 CD1 ILE A 43 12.461 3.153 -5.587 1.00 0.00 C ATOM 0 H ILE A 43 11.163 3.589 -2.792 1.00 0.00 H new ATOM 0 HA ILE A 43 11.063 1.295 -4.258 1.00 0.00 H new ATOM 0 HB ILE A 43 13.345 2.089 -2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.733 4.039 -3.665 1.00 0.00 H new ATOM 0 HG13 ILE A 43 14.196 3.375 -4.365 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.752 1.019 -4.137 1.00 0.00 H new ATOM 0 HG22 ILE A 43 13.594 -0.131 -3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 43 13.287 0.560 -5.037 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.638 4.093 -6.109 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.874 2.331 -6.171 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.389 3.005 -5.460 1.00 0.00 H new ATOM 657 N ALA A 44 11.203 0.689 -1.028 1.00 0.00 N ATOM 658 CA ALA A 44 11.044 -0.342 -0.012 1.00 0.00 C ATOM 659 C ALA A 44 9.749 -1.116 -0.234 1.00 0.00 C ATOM 660 O ALA A 44 9.776 -2.301 -0.564 1.00 0.00 O ATOM 661 CB ALA A 44 11.073 0.275 1.377 1.00 0.00 C ATOM 0 H ALA A 44 11.235 1.641 -0.663 1.00 0.00 H new ATOM 0 HA ALA A 44 11.876 -1.042 -0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 44 10.953 -0.508 2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 44 12.026 0.781 1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.261 0.995 1.472 1.00 0.00 H new ATOM 667 N GLU A 45 8.614 -0.437 -0.051 1.00 0.00 N ATOM 668 CA GLU A 45 7.297 -1.055 -0.237 1.00 0.00 C ATOM 669 C GLU A 45 7.336 -2.090 -1.358 1.00 0.00 C ATOM 670 O GLU A 45 6.838 -3.206 -1.204 1.00 0.00 O ATOM 671 CB GLU A 45 6.250 0.023 -0.540 1.00 0.00 C ATOM 672 CG GLU A 45 5.003 -0.488 -1.253 1.00 0.00 C ATOM 673 CD GLU A 45 4.380 -1.686 -0.562 1.00 0.00 C ATOM 674 OE1 GLU A 45 3.883 -1.525 0.573 1.00 0.00 O ATOM 675 OE2 GLU A 45 4.387 -2.783 -1.157 1.00 0.00 O ATOM 0 H GLU A 45 8.580 0.544 0.227 1.00 0.00 H new ATOM 0 HA GLU A 45 7.021 -1.566 0.685 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.950 0.494 0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.711 0.798 -1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.268 0.315 -1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.261 -0.758 -2.277 1.00 0.00 H new ATOM 682 N GLY A 46 7.956 -1.720 -2.476 1.00 0.00 N ATOM 683 CA GLY A 46 8.070 -2.644 -3.588 1.00 0.00 C ATOM 684 C GLY A 46 8.808 -3.901 -3.177 1.00 0.00 C ATOM 685 O GLY A 46 8.199 -4.952 -2.976 1.00 0.00 O ATOM 0 H GLY A 46 8.378 -0.804 -2.630 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.076 -2.904 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.596 -2.163 -4.413 1.00 0.00 H new ATOM 689 N GLN A 47 10.129 -3.786 -3.055 1.00 0.00 N ATOM 690 CA GLN A 47 10.982 -4.910 -2.665 1.00 0.00 C ATOM 691 C GLN A 47 10.398 -5.709 -1.490 1.00 0.00 C ATOM 692 O GLN A 47 10.831 -6.832 -1.228 1.00 0.00 O ATOM 693 CB GLN A 47 12.379 -4.407 -2.286 1.00 0.00 C ATOM 694 CG GLN A 47 12.356 -3.281 -1.269 1.00 0.00 C ATOM 695 CD GLN A 47 13.666 -2.526 -1.199 1.00 0.00 C ATOM 696 OE1 GLN A 47 14.068 -1.866 -2.157 1.00 0.00 O ATOM 697 NE2 GLN A 47 14.340 -2.616 -0.058 1.00 0.00 N ATOM 0 H GLN A 47 10.637 -2.917 -3.222 1.00 0.00 H new ATOM 0 HA GLN A 47 11.041 -5.575 -3.526 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.960 -5.237 -1.885 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.891 -4.065 -3.185 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.555 -2.586 -1.521 1.00 0.00 H new ATOM 0 HG3 GLN A 47 12.125 -3.691 -0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.969 -3.175 0.711 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.228 -2.126 0.050 1.00 0.00 H new ATOM 706 N VAL A 48 9.424 -5.138 -0.778 1.00 0.00 N ATOM 707 CA VAL A 48 8.817 -5.826 0.356 1.00 0.00 C ATOM 708 C VAL A 48 7.869 -6.930 -0.128 1.00 0.00 C ATOM 709 O VAL A 48 8.304 -8.062 -0.346 1.00 0.00 O ATOM 710 CB VAL A 48 8.056 -4.850 1.282 1.00 0.00 C ATOM 711 CG1 VAL A 48 7.411 -5.610 2.434 1.00 0.00 C ATOM 712 CG2 VAL A 48 8.986 -3.765 1.802 1.00 0.00 C ATOM 0 H VAL A 48 9.044 -4.210 -0.966 1.00 0.00 H new ATOM 0 HA VAL A 48 9.627 -6.273 0.932 1.00 0.00 H new ATOM 0 HB VAL A 48 7.268 -4.367 0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.878 -4.911 3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.710 -6.345 2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.183 -6.119 3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.429 -3.089 2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.799 -4.222 2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.397 -3.205 0.962 1.00 0.00 H new ATOM 722 N LYS A 49 6.584 -6.614 -0.301 1.00 0.00 N ATOM 723 CA LYS A 49 5.622 -7.609 -0.763 1.00 0.00 C ATOM 724 C LYS A 49 4.280 -6.966 -1.089 1.00 0.00 C ATOM 725 O LYS A 49 3.782 -6.125 -0.340 1.00 0.00 O ATOM 726 CB LYS A 49 5.433 -8.693 0.299 1.00 0.00 C ATOM 727 CG LYS A 49 6.095 -10.012 -0.060 1.00 0.00 C ATOM 728 CD LYS A 49 5.121 -10.951 -0.754 1.00 0.00 C ATOM 729 CE LYS A 49 5.197 -12.357 -0.180 1.00 0.00 C ATOM 730 NZ LYS A 49 6.565 -12.934 -0.305 1.00 0.00 N ATOM 0 H LYS A 49 6.192 -5.688 -0.130 1.00 0.00 H new ATOM 0 HA LYS A 49 6.016 -8.060 -1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.838 -8.338 1.246 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.367 -8.860 0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.950 -9.827 -0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.479 -10.486 0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.106 -10.568 -0.647 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.340 -10.980 -1.821 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.906 -12.337 0.870 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.483 -12.999 -0.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.533 -13.952 -0.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.914 -12.792 -1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.204 -12.461 0.366 1.00 0.00 H new ATOM 744 N VAL A 50 3.692 -7.379 -2.207 1.00 0.00 N ATOM 745 CA VAL A 50 2.404 -6.859 -2.627 1.00 0.00 C ATOM 746 C VAL A 50 1.478 -8.007 -3.003 1.00 0.00 C ATOM 747 O VAL A 50 1.925 -9.020 -3.537 1.00 0.00 O ATOM 748 CB VAL A 50 2.545 -5.902 -3.827 1.00 0.00 C ATOM 749 CG1 VAL A 50 1.185 -5.362 -4.244 1.00 0.00 C ATOM 750 CG2 VAL A 50 3.501 -4.765 -3.494 1.00 0.00 C ATOM 0 H VAL A 50 4.092 -8.074 -2.837 1.00 0.00 H new ATOM 0 HA VAL A 50 1.983 -6.301 -1.791 1.00 0.00 H new ATOM 0 HB VAL A 50 2.960 -6.460 -4.666 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.306 -4.688 -5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.536 -6.190 -4.528 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.738 -4.820 -3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.588 -4.100 -4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.119 -4.207 -2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.482 -5.174 -3.251 1.00 0.00 H new ATOM 760 N ASP A 51 0.192 -7.847 -2.717 1.00 0.00 N ATOM 761 CA ASP A 51 -0.792 -8.877 -3.027 1.00 0.00 C ATOM 762 C ASP A 51 -0.830 -9.143 -4.526 1.00 0.00 C ATOM 763 O ASP A 51 -1.729 -8.683 -5.230 1.00 0.00 O ATOM 764 CB ASP A 51 -2.172 -8.451 -2.536 1.00 0.00 C ATOM 765 CG ASP A 51 -3.203 -9.557 -2.648 1.00 0.00 C ATOM 766 OD1 ASP A 51 -3.018 -10.610 -2.002 1.00 0.00 O ATOM 767 OD2 ASP A 51 -4.197 -9.370 -3.381 1.00 0.00 O ATOM 0 H ASP A 51 -0.194 -7.015 -2.271 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.503 -9.796 -2.517 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.100 -8.132 -1.496 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.507 -7.588 -3.112 1.00 0.00 H new ATOM 772 N GLY A 52 0.161 -9.881 -5.007 1.00 0.00 N ATOM 773 CA GLY A 52 0.241 -10.189 -6.418 1.00 0.00 C ATOM 774 C GLY A 52 1.531 -9.694 -7.046 1.00 0.00 C ATOM 775 O GLY A 52 1.860 -10.072 -8.170 1.00 0.00 O ATOM 0 H GLY A 52 0.914 -10.273 -4.441 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.163 -11.267 -6.557 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.607 -9.739 -6.934 1.00 0.00 H new ATOM 779 N ALA A 53 2.270 -8.849 -6.324 1.00 0.00 N ATOM 780 CA ALA A 53 3.527 -8.316 -6.832 1.00 0.00 C ATOM 781 C ALA A 53 4.629 -8.434 -5.783 1.00 0.00 C ATOM 782 O ALA A 53 4.431 -8.092 -4.617 1.00 0.00 O ATOM 783 CB ALA A 53 3.350 -6.869 -7.271 1.00 0.00 C ATOM 0 H ALA A 53 2.018 -8.523 -5.391 1.00 0.00 H new ATOM 0 HA ALA A 53 3.825 -8.905 -7.700 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.298 -6.485 -7.648 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.598 -6.817 -8.059 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.027 -6.268 -6.421 1.00 0.00 H new ATOM 789 N VAL A 54 5.792 -8.912 -6.210 1.00 0.00 N ATOM 790 CA VAL A 54 6.939 -9.070 -5.327 1.00 0.00 C ATOM 791 C VAL A 54 8.157 -8.340 -5.888 1.00 0.00 C ATOM 792 O VAL A 54 9.290 -8.789 -5.718 1.00 0.00 O ATOM 793 CB VAL A 54 7.283 -10.559 -5.141 1.00 0.00 C ATOM 794 CG1 VAL A 54 7.756 -11.176 -6.453 1.00 0.00 C ATOM 795 CG2 VAL A 54 8.326 -10.740 -4.050 1.00 0.00 C ATOM 0 H VAL A 54 5.965 -9.199 -7.173 1.00 0.00 H new ATOM 0 HA VAL A 54 6.675 -8.639 -4.361 1.00 0.00 H new ATOM 0 HB VAL A 54 6.376 -11.079 -4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.993 -12.228 -6.296 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.968 -11.089 -7.201 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.646 -10.652 -6.802 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.553 -11.800 -3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.234 -10.201 -4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.940 -10.349 -3.109 1.00 0.00 H new ATOM 805 N GLU A 55 7.920 -7.237 -6.588 1.00 0.00 N ATOM 806 CA GLU A 55 9.009 -6.485 -7.202 1.00 0.00 C ATOM 807 C GLU A 55 9.286 -5.172 -6.483 1.00 0.00 C ATOM 808 O GLU A 55 8.446 -4.658 -5.745 1.00 0.00 O ATOM 809 CB GLU A 55 8.688 -6.216 -8.667 1.00 0.00 C ATOM 810 CG GLU A 55 8.213 -7.453 -9.415 1.00 0.00 C ATOM 811 CD GLU A 55 7.611 -7.131 -10.768 1.00 0.00 C ATOM 812 OE1 GLU A 55 6.754 -6.225 -10.838 1.00 0.00 O ATOM 813 OE2 GLU A 55 7.994 -7.789 -11.758 1.00 0.00 O ATOM 0 H GLU A 55 6.991 -6.845 -6.744 1.00 0.00 H new ATOM 0 HA GLU A 55 9.910 -7.093 -7.123 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.920 -5.445 -8.728 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.576 -5.820 -9.160 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.053 -8.134 -9.550 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.473 -7.976 -8.809 1.00 0.00 H new ATOM 820 N THR A 56 10.484 -4.648 -6.711 1.00 0.00 N ATOM 821 CA THR A 56 10.916 -3.400 -6.095 1.00 0.00 C ATOM 822 C THR A 56 10.983 -2.263 -7.116 1.00 0.00 C ATOM 823 O THR A 56 11.988 -1.558 -7.204 1.00 0.00 O ATOM 824 CB THR A 56 12.284 -3.599 -5.445 1.00 0.00 C ATOM 825 OG1 THR A 56 12.644 -2.471 -4.665 1.00 0.00 O ATOM 826 CG2 THR A 56 13.394 -3.838 -6.445 1.00 0.00 C ATOM 0 H THR A 56 11.179 -5.073 -7.324 1.00 0.00 H new ATOM 0 HA THR A 56 10.183 -3.123 -5.337 1.00 0.00 H new ATOM 0 HB THR A 56 12.177 -4.488 -4.824 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.620 -1.666 -5.223 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.338 -3.971 -5.916 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.174 -4.734 -7.026 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.471 -2.981 -7.115 1.00 0.00 H new ATOM 834 N ARG A 57 9.913 -2.084 -7.882 1.00 0.00 N ATOM 835 CA ARG A 57 9.868 -1.024 -8.886 1.00 0.00 C ATOM 836 C ARG A 57 9.443 0.302 -8.263 1.00 0.00 C ATOM 837 O ARG A 57 9.066 0.355 -7.094 1.00 0.00 O ATOM 838 CB ARG A 57 8.900 -1.396 -10.012 1.00 0.00 C ATOM 839 CG ARG A 57 9.111 -2.796 -10.562 1.00 0.00 C ATOM 840 CD ARG A 57 7.978 -3.207 -11.490 1.00 0.00 C ATOM 841 NE ARG A 57 8.393 -3.216 -12.890 1.00 0.00 N ATOM 842 CZ ARG A 57 7.570 -3.471 -13.906 1.00 0.00 C ATOM 843 NH1 ARG A 57 6.287 -3.731 -13.682 1.00 0.00 N ATOM 844 NH2 ARG A 57 8.032 -3.462 -15.148 1.00 0.00 N ATOM 0 H ARG A 57 9.069 -2.654 -7.829 1.00 0.00 H new ATOM 0 HA ARG A 57 10.871 -0.911 -9.297 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.878 -1.310 -9.643 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.007 -0.676 -10.824 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.057 -2.837 -11.101 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.183 -3.505 -9.737 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.623 -4.199 -11.211 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.140 -2.521 -11.365 1.00 0.00 H new ATOM 0 HE ARG A 57 9.370 -3.015 -13.102 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.927 -3.736 -12.728 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.662 -3.925 -14.464 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.016 -3.260 -15.325 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.404 -3.657 -15.927 1.00 0.00 H new ATOM 858 N LYS A 58 9.498 1.370 -9.054 1.00 0.00 N ATOM 859 CA LYS A 58 9.107 2.692 -8.575 1.00 0.00 C ATOM 860 C LYS A 58 7.588 2.867 -8.628 1.00 0.00 C ATOM 861 O LYS A 58 7.062 3.913 -8.250 1.00 0.00 O ATOM 862 CB LYS A 58 9.786 3.786 -9.402 1.00 0.00 C ATOM 863 CG LYS A 58 9.870 5.122 -8.680 1.00 0.00 C ATOM 864 CD LYS A 58 10.023 6.279 -9.657 1.00 0.00 C ATOM 865 CE LYS A 58 11.346 6.211 -10.404 1.00 0.00 C ATOM 866 NZ LYS A 58 12.278 7.296 -9.989 1.00 0.00 N ATOM 0 H LYS A 58 9.808 1.346 -10.025 1.00 0.00 H new ATOM 0 HA LYS A 58 9.430 2.780 -7.538 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.792 3.460 -9.667 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.238 3.919 -10.335 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.972 5.269 -8.079 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.715 5.112 -7.992 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.200 6.264 -10.372 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.958 7.223 -9.116 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.814 5.243 -10.225 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.161 6.282 -11.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.167 7.213 -10.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.843 8.220 -10.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.476 7.213 -8.971 1.00 0.00 H new ATOM 880 N ARG A 59 6.890 1.835 -9.097 1.00 0.00 N ATOM 881 CA ARG A 59 5.437 1.872 -9.193 1.00 0.00 C ATOM 882 C ARG A 59 4.870 0.461 -9.299 1.00 0.00 C ATOM 883 O ARG A 59 5.565 -0.464 -9.720 1.00 0.00 O ATOM 884 CB ARG A 59 5.005 2.697 -10.404 1.00 0.00 C ATOM 885 CG ARG A 59 5.404 2.081 -11.736 1.00 0.00 C ATOM 886 CD ARG A 59 6.206 3.056 -12.586 1.00 0.00 C ATOM 887 NE ARG A 59 5.370 4.130 -13.121 1.00 0.00 N ATOM 888 CZ ARG A 59 5.852 5.221 -13.715 1.00 0.00 C ATOM 889 NH1 ARG A 59 7.161 5.389 -13.853 1.00 0.00 N ATOM 890 NH2 ARG A 59 5.021 6.148 -14.173 1.00 0.00 N ATOM 0 H ARG A 59 7.310 0.962 -9.416 1.00 0.00 H new ATOM 0 HA ARG A 59 5.048 2.339 -8.288 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.922 2.821 -10.381 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.442 3.693 -10.329 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.993 1.181 -11.559 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.510 1.775 -12.279 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.008 3.485 -11.986 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.676 2.518 -13.409 1.00 0.00 H new ATOM 0 HE ARG A 59 4.358 4.039 -13.034 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.806 4.680 -13.503 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.522 6.227 -14.309 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.014 6.025 -14.070 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.389 6.983 -14.628 1.00 0.00 H new ATOM 904 N CYS A 60 3.604 0.301 -8.932 1.00 0.00 N ATOM 905 CA CYS A 60 2.954 -0.998 -9.007 1.00 0.00 C ATOM 906 C CYS A 60 1.567 -0.856 -9.621 1.00 0.00 C ATOM 907 O CYS A 60 0.686 -0.223 -9.043 1.00 0.00 O ATOM 908 CB CYS A 60 2.857 -1.626 -7.614 1.00 0.00 C ATOM 909 SG CYS A 60 2.930 -3.432 -7.606 1.00 0.00 S ATOM 0 H CYS A 60 3.011 1.053 -8.581 1.00 0.00 H new ATOM 0 HA CYS A 60 3.552 -1.652 -9.641 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.667 -1.238 -6.996 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.923 -1.310 -7.150 1.00 0.00 H new ATOM 0 HG CYS A 60 3.651 -3.833 -6.601 1.00 0.00 H new ATOM 915 N LYS A 61 1.379 -1.450 -10.794 1.00 0.00 N ATOM 916 CA LYS A 61 0.095 -1.381 -11.480 1.00 0.00 C ATOM 917 C LYS A 61 -0.908 -2.318 -10.822 1.00 0.00 C ATOM 918 O LYS A 61 -0.953 -3.509 -11.127 1.00 0.00 O ATOM 919 CB LYS A 61 0.264 -1.731 -12.958 1.00 0.00 C ATOM 920 CG LYS A 61 0.759 -0.568 -13.803 1.00 0.00 C ATOM 921 CD LYS A 61 1.581 -1.047 -14.991 1.00 0.00 C ATOM 922 CE LYS A 61 1.047 -0.492 -16.304 1.00 0.00 C ATOM 923 NZ LYS A 61 -0.403 -0.785 -16.488 1.00 0.00 N ATOM 0 H LYS A 61 2.096 -1.982 -11.288 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.285 -0.362 -11.407 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.965 -2.560 -13.049 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.691 -2.076 -13.353 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.093 0.012 -14.159 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.363 0.098 -13.187 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.619 -0.742 -14.862 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.571 -2.136 -15.025 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.205 0.586 -16.332 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.611 -0.919 -17.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.604 -0.923 -17.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.652 -1.649 -15.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.967 0.012 -16.129 1.00 0.00 H new ATOM 937 N ILE A 62 -1.699 -1.772 -9.907 1.00 0.00 N ATOM 938 CA ILE A 62 -2.691 -2.559 -9.191 1.00 0.00 C ATOM 939 C ILE A 62 -4.029 -1.836 -9.106 1.00 0.00 C ATOM 940 O ILE A 62 -4.080 -0.622 -8.906 1.00 0.00 O ATOM 941 CB ILE A 62 -2.214 -2.882 -7.763 1.00 0.00 C ATOM 942 CG1 ILE A 62 -0.761 -3.359 -7.780 1.00 0.00 C ATOM 943 CG2 ILE A 62 -3.114 -3.929 -7.126 1.00 0.00 C ATOM 944 CD1 ILE A 62 -0.116 -3.362 -6.414 1.00 0.00 C ATOM 0 H ILE A 62 -1.672 -0.787 -9.644 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.821 -3.483 -9.754 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.270 -1.972 -7.165 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.722 -4.366 -8.195 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.183 -2.717 -8.445 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.763 -4.146 -6.117 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.136 -3.552 -7.081 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.090 -4.841 -7.722 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.913 -3.711 -6.498 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.124 -2.351 -6.006 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.671 -4.026 -5.751 1.00 0.00 H new ATOM 956 N VAL A 63 -5.111 -2.593 -9.245 1.00 0.00 N ATOM 957 CA VAL A 63 -6.452 -2.027 -9.169 1.00 0.00 C ATOM 958 C VAL A 63 -7.417 -3.000 -8.498 1.00 0.00 C ATOM 959 O VAL A 63 -7.060 -4.136 -8.201 1.00 0.00 O ATOM 960 CB VAL A 63 -7.012 -1.671 -10.558 1.00 0.00 C ATOM 961 CG1 VAL A 63 -6.529 -0.300 -10.985 1.00 0.00 C ATOM 962 CG2 VAL A 63 -6.632 -2.728 -11.586 1.00 0.00 C ATOM 0 H VAL A 63 -5.086 -3.599 -9.411 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.365 -1.115 -8.578 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.100 -1.647 -10.494 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.933 -0.062 -11.969 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.866 0.445 -10.264 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.440 -0.295 -11.029 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.040 -2.453 -12.559 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.546 -2.796 -11.654 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.038 -3.693 -11.282 1.00 0.00 H new ATOM 972 N ALA A 64 -8.649 -2.554 -8.283 1.00 0.00 N ATOM 973 CA ALA A 64 -9.676 -3.391 -7.668 1.00 0.00 C ATOM 974 C ALA A 64 -9.338 -3.724 -6.206 1.00 0.00 C ATOM 975 O ALA A 64 -8.701 -2.929 -5.517 1.00 0.00 O ATOM 976 CB ALA A 64 -9.880 -4.651 -8.506 1.00 0.00 C ATOM 0 H ALA A 64 -8.963 -1.614 -8.526 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.613 -2.835 -7.646 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.647 -5.274 -8.045 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.195 -4.372 -9.512 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.944 -5.207 -8.560 1.00 0.00 H new ATOM 982 N GLY A 65 -9.788 -4.889 -5.731 1.00 0.00 N ATOM 983 CA GLY A 65 -9.547 -5.290 -4.360 1.00 0.00 C ATOM 984 C GLY A 65 -8.225 -6.006 -4.163 1.00 0.00 C ATOM 985 O GLY A 65 -8.184 -7.233 -4.068 1.00 0.00 O ATOM 0 H GLY A 65 -10.319 -5.563 -6.282 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.571 -4.407 -3.722 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.357 -5.942 -4.033 1.00 0.00 H new ATOM 989 N GLN A 66 -7.144 -5.239 -4.098 1.00 0.00 N ATOM 990 CA GLN A 66 -5.809 -5.809 -3.905 1.00 0.00 C ATOM 991 C GLN A 66 -5.137 -5.241 -2.656 1.00 0.00 C ATOM 992 O GLN A 66 -5.520 -4.182 -2.157 1.00 0.00 O ATOM 993 CB GLN A 66 -4.927 -5.543 -5.123 1.00 0.00 C ATOM 994 CG GLN A 66 -5.618 -5.822 -6.445 1.00 0.00 C ATOM 995 CD GLN A 66 -4.989 -6.976 -7.199 1.00 0.00 C ATOM 996 OE1 GLN A 66 -4.443 -6.686 -8.374 1.00 0.00 O flip ATOM 997 NE2 GLN A 66 -4.993 -8.114 -6.732 1.00 0.00 N flip ATOM 0 H GLN A 66 -7.161 -4.222 -4.176 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.931 -6.885 -3.776 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.601 -4.503 -5.105 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.031 -6.159 -5.054 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.670 -6.043 -6.262 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.584 -4.926 -7.065 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.424 -8.291 -5.825 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.565 -8.880 -7.252 1.00 0.00 H new ATOM 1006 N THR A 67 -4.148 -5.972 -2.143 1.00 0.00 N ATOM 1007 CA THR A 67 -3.429 -5.571 -0.933 1.00 0.00 C ATOM 1008 C THR A 67 -1.959 -5.247 -1.205 1.00 0.00 C ATOM 1009 O THR A 67 -1.372 -5.711 -2.183 1.00 0.00 O ATOM 1010 CB THR A 67 -3.506 -6.686 0.123 1.00 0.00 C ATOM 1011 OG1 THR A 67 -4.515 -7.636 -0.192 1.00 0.00 O ATOM 1012 CG2 THR A 67 -3.776 -6.170 1.520 1.00 0.00 C ATOM 0 H THR A 67 -3.825 -6.850 -2.549 1.00 0.00 H new ATOM 0 HA THR A 67 -3.912 -4.665 -0.567 1.00 0.00 H new ATOM 0 HB THR A 67 -2.521 -7.153 0.106 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.536 -8.332 0.498 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.818 -7.008 2.216 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.977 -5.491 1.818 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.728 -5.639 1.534 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.372 -4.456 -0.306 1.00 0.00 N ATOM 1021 CA VAL A 68 0.036 -4.064 -0.403 1.00 0.00 C ATOM 1022 C VAL A 68 0.716 -4.225 0.962 1.00 0.00 C ATOM 1023 O VAL A 68 0.072 -4.061 1.997 1.00 0.00 O ATOM 1024 CB VAL A 68 0.174 -2.606 -0.937 1.00 0.00 C ATOM 1025 CG1 VAL A 68 1.104 -1.738 -0.085 1.00 0.00 C ATOM 1026 CG2 VAL A 68 0.659 -2.631 -2.377 1.00 0.00 C ATOM 0 H VAL A 68 -1.855 -4.071 0.506 1.00 0.00 H new ATOM 0 HA VAL A 68 0.535 -4.719 -1.117 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.815 -2.152 -0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.157 -0.736 -0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.717 -1.681 0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.101 -2.179 -0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.754 -1.610 -2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.629 -3.126 -2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.058 -3.175 -2.993 1.00 0.00 H new ATOM 1036 N SER A 69 2.010 -4.567 0.968 1.00 0.00 N ATOM 1037 CA SER A 69 2.722 -4.762 2.234 1.00 0.00 C ATOM 1038 C SER A 69 4.131 -4.154 2.241 1.00 0.00 C ATOM 1039 O SER A 69 4.930 -4.381 1.326 1.00 0.00 O ATOM 1040 CB SER A 69 2.808 -6.255 2.565 1.00 0.00 C ATOM 1041 OG SER A 69 1.907 -7.009 1.771 1.00 0.00 O ATOM 0 H SER A 69 2.574 -4.711 0.130 1.00 0.00 H new ATOM 0 HA SER A 69 2.145 -4.236 2.994 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.826 -6.609 2.400 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.584 -6.410 3.620 1.00 0.00 H new ATOM 0 HG SER A 69 2.230 -7.036 0.846 1.00 0.00 H new ATOM 1047 N PHE A 70 4.432 -3.409 3.315 1.00 0.00 N ATOM 1048 CA PHE A 70 5.746 -2.784 3.505 1.00 0.00 C ATOM 1049 C PHE A 70 6.185 -2.902 4.966 1.00 0.00 C ATOM 1050 O PHE A 70 5.543 -2.354 5.860 1.00 0.00 O ATOM 1051 CB PHE A 70 5.733 -1.301 3.106 1.00 0.00 C ATOM 1052 CG PHE A 70 7.007 -0.568 3.459 1.00 0.00 C ATOM 1053 CD1 PHE A 70 8.194 -1.260 3.653 1.00 0.00 C ATOM 1054 CD2 PHE A 70 7.013 0.809 3.611 1.00 0.00 C ATOM 1055 CE1 PHE A 70 9.355 -0.598 3.991 1.00 0.00 C ATOM 1056 CE2 PHE A 70 8.176 1.478 3.947 1.00 0.00 C ATOM 1057 CZ PHE A 70 9.347 0.773 4.138 1.00 0.00 C ATOM 0 H PHE A 70 3.774 -3.224 4.072 1.00 0.00 H new ATOM 0 HA PHE A 70 6.449 -3.311 2.860 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.565 -1.224 2.032 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.893 -0.809 3.596 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.209 -2.334 3.537 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.099 1.366 3.466 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.270 -1.152 4.140 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.168 2.552 4.060 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.255 1.294 4.402 1.00 0.00 H new ATOM 1067 N ALA A 71 7.297 -3.598 5.194 1.00 0.00 N ATOM 1068 CA ALA A 71 7.853 -3.780 6.536 1.00 0.00 C ATOM 1069 C ALA A 71 6.775 -3.975 7.604 1.00 0.00 C ATOM 1070 O ALA A 71 6.974 -3.612 8.763 1.00 0.00 O ATOM 1071 CB ALA A 71 8.741 -2.596 6.895 1.00 0.00 C ATOM 0 H ALA A 71 7.838 -4.051 4.457 1.00 0.00 H new ATOM 0 HA ALA A 71 8.445 -4.695 6.516 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.151 -2.739 7.895 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.557 -2.522 6.176 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.152 -1.679 6.872 1.00 0.00 H new ATOM 1077 N GLY A 72 5.641 -4.554 7.221 1.00 0.00 N ATOM 1078 CA GLY A 72 4.576 -4.784 8.183 1.00 0.00 C ATOM 1079 C GLY A 72 3.301 -4.032 7.864 1.00 0.00 C ATOM 1080 O GLY A 72 2.283 -4.232 8.526 1.00 0.00 O ATOM 0 H GLY A 72 5.440 -4.866 6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.358 -5.851 8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 72 4.923 -4.491 9.174 1.00 0.00 H new ATOM 1084 N HIS A 73 3.344 -3.160 6.865 1.00 0.00 N ATOM 1085 CA HIS A 73 2.172 -2.381 6.499 1.00 0.00 C ATOM 1086 C HIS A 73 1.312 -3.136 5.491 1.00 0.00 C ATOM 1087 O HIS A 73 1.496 -2.994 4.287 1.00 0.00 O ATOM 1088 CB HIS A 73 2.586 -1.035 5.893 1.00 0.00 C ATOM 1089 CG HIS A 73 3.510 -0.224 6.748 1.00 0.00 C ATOM 1090 ND1 HIS A 73 3.833 -0.560 8.045 1.00 0.00 N ATOM 1091 CD2 HIS A 73 4.182 0.926 6.482 1.00 0.00 C ATOM 1092 CE1 HIS A 73 4.659 0.342 8.542 1.00 0.00 C ATOM 1093 NE2 HIS A 73 4.887 1.253 7.614 1.00 0.00 N ATOM 0 H HIS A 73 4.172 -2.976 6.298 1.00 0.00 H new ATOM 0 HA HIS A 73 1.594 -2.209 7.407 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.067 -1.217 4.932 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.688 -0.449 5.694 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.165 1.479 5.555 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.077 0.336 9.538 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.490 2.069 7.721 1.00 0.00 H new ATOM 1101 N SER A 74 0.368 -3.933 5.984 1.00 0.00 N ATOM 1102 CA SER A 74 -0.514 -4.697 5.107 1.00 0.00 C ATOM 1103 C SER A 74 -1.875 -4.017 4.972 1.00 0.00 C ATOM 1104 O SER A 74 -2.716 -4.106 5.865 1.00 0.00 O ATOM 1105 CB SER A 74 -0.690 -6.121 5.637 1.00 0.00 C ATOM 1106 OG SER A 74 0.513 -6.862 5.519 1.00 0.00 O ATOM 0 H SER A 74 0.195 -4.066 6.980 1.00 0.00 H new ATOM 0 HA SER A 74 -0.052 -4.740 4.121 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.999 -6.088 6.682 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.485 -6.622 5.085 1.00 0.00 H new ATOM 0 HG SER A 74 0.375 -7.768 5.866 1.00 0.00 H new ATOM 1112 N VAL A 75 -2.078 -3.336 3.848 1.00 0.00 N ATOM 1113 CA VAL A 75 -3.330 -2.632 3.587 1.00 0.00 C ATOM 1114 C VAL A 75 -3.913 -3.043 2.238 1.00 0.00 C ATOM 1115 O VAL A 75 -3.180 -3.445 1.334 1.00 0.00 O ATOM 1116 CB VAL A 75 -3.111 -1.105 3.590 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -4.420 -0.358 3.398 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -2.418 -0.666 4.872 1.00 0.00 C ATOM 0 H VAL A 75 -1.389 -3.257 3.100 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.027 -2.901 4.381 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.465 -0.858 2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.231 0.715 3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.864 -0.642 2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.105 -0.611 4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.272 0.414 4.855 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.034 -0.936 5.730 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.450 -1.161 4.951 1.00 0.00 H new ATOM 1128 N GLN A 76 -5.231 -2.935 2.100 1.00 0.00 N ATOM 1129 CA GLN A 76 -5.892 -3.290 0.852 1.00 0.00 C ATOM 1130 C GLN A 76 -6.485 -2.062 0.177 1.00 0.00 C ATOM 1131 O GLN A 76 -6.620 -1.005 0.790 1.00 0.00 O ATOM 1132 CB GLN A 76 -6.985 -4.331 1.094 1.00 0.00 C ATOM 1133 CG GLN A 76 -6.765 -5.620 0.323 1.00 0.00 C ATOM 1134 CD GLN A 76 -7.298 -6.839 1.049 1.00 0.00 C ATOM 1135 OE1 GLN A 76 -6.696 -7.321 2.008 1.00 0.00 O ATOM 1136 NE2 GLN A 76 -8.435 -7.345 0.588 1.00 0.00 N ATOM 0 H GLN A 76 -5.858 -2.606 2.834 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.139 -3.718 0.190 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.034 -4.556 2.159 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.949 -3.908 0.813 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.249 -5.542 -0.650 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.699 -5.750 0.139 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.899 -6.912 -0.210 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.844 -8.167 1.032 1.00 0.00 H new ATOM 1145 N VAL A 77 -6.833 -2.217 -1.096 1.00 0.00 N ATOM 1146 CA VAL A 77 -7.410 -1.132 -1.879 1.00 0.00 C ATOM 1147 C VAL A 77 -8.562 -1.648 -2.740 1.00 0.00 C ATOM 1148 O VAL A 77 -8.602 -2.827 -3.076 1.00 0.00 O ATOM 1149 CB VAL A 77 -6.351 -0.481 -2.791 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -6.936 0.708 -3.539 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -5.128 -0.067 -1.984 1.00 0.00 C ATOM 0 H VAL A 77 -6.724 -3.091 -1.610 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.783 -0.384 -1.179 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.037 -1.220 -3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.170 1.150 -4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.772 0.375 -4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.286 1.452 -2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.393 0.390 -2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.423 0.651 -1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.691 -0.945 -1.509 1.00 0.00 H new ATOM 1161 N VAL A 78 -9.494 -0.763 -3.097 1.00 0.00 N ATOM 1162 CA VAL A 78 -10.640 -1.150 -3.923 1.00 0.00 C ATOM 1163 C VAL A 78 -10.845 -0.179 -5.081 1.00 0.00 C ATOM 1164 O VAL A 78 -10.352 0.946 -5.055 1.00 0.00 O ATOM 1165 CB VAL A 78 -11.945 -1.214 -3.105 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -11.920 -2.384 -2.134 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -12.183 0.097 -2.368 1.00 0.00 C ATOM 0 H VAL A 78 -9.479 0.221 -2.829 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.411 -2.143 -4.310 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.772 -1.370 -3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.852 -2.408 -1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.809 -3.315 -2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.082 -2.269 -1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.109 0.030 -1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.352 0.289 -1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.259 0.911 -3.089 1.00 0.00 H new ATOM 1177 N ALA A 79 -11.588 -0.619 -6.095 1.00 0.00 N ATOM 1178 CA ALA A 79 -11.867 0.214 -7.260 1.00 0.00 C ATOM 1179 C ALA A 79 -13.284 -0.008 -7.777 1.00 0.00 C ATOM 1180 O ALA A 79 -13.853 -1.085 -7.502 1.00 0.00 O ATOM 1181 CB ALA A 79 -10.852 -0.059 -8.360 1.00 0.00 C ATOM 1182 OXT ALA A 79 -13.815 0.900 -8.452 1.00 0.00 O ATOM 0 H ALA A 79 -12.007 -1.548 -6.132 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.784 1.257 -6.953 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.073 0.569 -9.223 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.850 0.165 -7.994 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.905 -1.108 -8.652 1.00 0.00 H new TER 1188 ALA A 79