USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 437 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 9 ASN :FLIP amide:sc= 1.12 F(o=0.92,f=1.7) USER MOD Set 1.2: A 56 THR OG1 : rot -92:sc= 0.594 USER MOD Set 2.1: A 50 THR OG1 : rot 92:sc= 0.0288 USER MOD Set 2.2: A 52 THR OG1 : rot 180:sc= 0.16 USER MOD Set 3.1: A 45 THR OG1 : rot -11:sc= -0.354 USER MOD Set 3.2: A 54 THR OG1 : rot 153:sc= 0.53 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc=-0.000715 (180deg=-0.161) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0624 USER MOD Single : A 5 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.115) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.39 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 22:sc= 0.468 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 172:sc= 0.0337 (180deg=0.0105) USER MOD Single : A 33 GLN : amide:sc= -0.0932 K(o=-0.093,f=-2.8!) USER MOD Single : A 34 TYR OH : rot 170:sc= -3.13! USER MOD Single : A 36 ASN : amide:sc= 0.164 K(o=0.16,f=-0.43) USER MOD Single : A 38 ASN : amide:sc= 0.163 X(o=0.16,f=-0.057) USER MOD Single : A 46 TYR OH : rot 180:sc= -1.27 USER MOD Single : A 51 LYS NZ :NH3+ 157:sc= -0.022 (180deg=-0.738) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.821 -15.445 7.243 1.00 0.00 N ATOM 2 CA MET A 1 -1.851 -14.311 7.198 1.00 0.00 C ATOM 3 C MET A 1 -2.114 -13.438 5.968 1.00 0.00 C ATOM 4 O MET A 1 -2.133 -13.916 4.850 1.00 0.00 O ATOM 5 CB MET A 1 -0.476 -14.971 7.103 1.00 0.00 C ATOM 6 CG MET A 1 -0.111 -15.591 8.454 1.00 0.00 C ATOM 7 SD MET A 1 1.652 -16.001 8.471 1.00 0.00 S ATOM 8 CE MET A 1 1.837 -16.139 10.266 1.00 0.00 C ATOM 0 H1 MET A 1 -3.341 -15.422 8.144 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.492 -15.359 6.453 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.306 -16.345 7.163 1.00 0.00 H new ATOM 0 HA MET A 1 -1.933 -13.662 8.070 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.482 -15.738 6.329 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.274 -14.234 6.815 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.341 -14.895 9.260 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.706 -16.488 8.628 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.870 -16.391 10.507 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.577 -15.189 10.733 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.176 -16.920 10.641 1.00 0.00 H new ATOM 20 N THR A 2 -2.314 -12.160 6.171 1.00 0.00 N ATOM 21 CA THR A 2 -2.575 -11.244 5.020 1.00 0.00 C ATOM 22 C THR A 2 -1.673 -10.011 5.110 1.00 0.00 C ATOM 23 O THR A 2 -2.068 -8.915 4.759 1.00 0.00 O ATOM 24 CB THR A 2 -4.045 -10.844 5.159 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.850 -12.013 5.204 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.459 -9.982 3.965 1.00 0.00 C ATOM 0 H THR A 2 -2.308 -11.711 7.087 1.00 0.00 H new ATOM 0 HA THR A 2 -2.370 -11.718 4.060 1.00 0.00 H new ATOM 0 HB THR A 2 -4.180 -10.274 6.078 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.792 -11.758 5.295 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.507 -9.699 4.067 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.842 -9.084 3.933 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.324 -10.548 3.043 1.00 0.00 H new ATOM 34 N THR A 3 -0.462 -10.183 5.579 1.00 0.00 N ATOM 35 CA THR A 3 0.471 -9.021 5.692 1.00 0.00 C ATOM 36 C THR A 3 0.768 -8.453 4.302 1.00 0.00 C ATOM 37 O THR A 3 1.643 -8.927 3.603 1.00 0.00 O ATOM 38 CB THR A 3 1.745 -9.579 6.328 1.00 0.00 C ATOM 39 OG1 THR A 3 1.398 -10.498 7.355 1.00 0.00 O ATOM 40 CG2 THR A 3 2.561 -8.430 6.923 1.00 0.00 C ATOM 0 H THR A 3 -0.080 -11.077 5.888 1.00 0.00 H new ATOM 0 HA THR A 3 0.048 -8.212 6.288 1.00 0.00 H new ATOM 0 HB THR A 3 2.338 -10.091 5.570 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.214 -10.857 7.762 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.470 -8.826 7.377 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.826 -7.726 6.135 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.969 -7.919 7.682 1.00 0.00 H new ATOM 48 N PHE A 4 0.041 -7.443 3.900 1.00 0.00 N ATOM 49 CA PHE A 4 0.267 -6.835 2.554 1.00 0.00 C ATOM 50 C PHE A 4 1.470 -5.892 2.595 1.00 0.00 C ATOM 51 O PHE A 4 1.666 -5.166 3.551 1.00 0.00 O ATOM 52 CB PHE A 4 -1.013 -6.056 2.250 1.00 0.00 C ATOM 53 CG PHE A 4 -2.009 -6.969 1.577 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.743 -7.468 0.297 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.194 -7.318 2.233 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.663 -8.316 -0.328 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.114 -8.168 1.606 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.848 -8.667 0.327 1.00 0.00 C ATOM 0 H PHE A 4 -0.703 -7.011 4.448 1.00 0.00 H new ATOM 0 HA PHE A 4 0.478 -7.586 1.793 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.435 -5.656 3.172 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.790 -5.206 1.606 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.827 -7.198 -0.208 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.399 -6.933 3.221 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.458 -8.700 -1.317 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.030 -8.438 2.111 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.557 -9.323 -0.155 1.00 0.00 H new ATOM 68 N LYS A 5 2.274 -5.897 1.562 1.00 0.00 N ATOM 69 CA LYS A 5 3.466 -5.000 1.530 1.00 0.00 C ATOM 70 C LYS A 5 3.204 -3.811 0.602 1.00 0.00 C ATOM 71 O LYS A 5 2.147 -3.701 0.006 1.00 0.00 O ATOM 72 CB LYS A 5 4.604 -5.864 0.980 1.00 0.00 C ATOM 73 CG LYS A 5 4.849 -7.064 1.907 1.00 0.00 C ATOM 74 CD LYS A 5 4.561 -8.369 1.158 1.00 0.00 C ATOM 75 CE LYS A 5 5.623 -8.582 0.076 1.00 0.00 C ATOM 76 NZ LYS A 5 6.787 -9.176 0.791 1.00 0.00 N ATOM 0 H LYS A 5 2.155 -6.486 0.738 1.00 0.00 H new ATOM 0 HA LYS A 5 3.702 -4.595 2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.355 -6.213 -0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.513 -5.270 0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.880 -7.057 2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.210 -6.991 2.787 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.562 -9.208 1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.570 -8.331 0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.260 -9.247 -0.708 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.892 -7.641 -0.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.666 -8.741 0.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.693 -9.002 1.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.816 -10.201 0.616 1.00 0.00 H new ATOM 90 N LEU A 6 4.158 -2.923 0.471 1.00 0.00 N ATOM 91 CA LEU A 6 3.963 -1.740 -0.420 1.00 0.00 C ATOM 92 C LEU A 6 5.311 -1.221 -0.924 1.00 0.00 C ATOM 93 O LEU A 6 6.068 -0.615 -0.188 1.00 0.00 O ATOM 94 CB LEU A 6 3.272 -0.694 0.463 1.00 0.00 C ATOM 95 CG LEU A 6 3.019 0.591 -0.337 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.756 0.428 -1.182 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.831 1.763 0.631 1.00 0.00 C ATOM 0 H LEU A 6 5.062 -2.967 0.942 1.00 0.00 H new ATOM 0 HA LEU A 6 3.374 -1.981 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.328 -1.090 0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.892 -0.474 1.332 1.00 0.00 H new ATOM 0 HG LEU A 6 3.871 0.785 -0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.578 1.341 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.884 -0.408 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.904 0.234 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.651 2.677 0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.979 1.565 1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.729 1.882 1.237 1.00 0.00 H new ATOM 109 N ILE A 7 5.598 -1.428 -2.185 1.00 0.00 N ATOM 110 CA ILE A 7 6.874 -0.920 -2.757 1.00 0.00 C ATOM 111 C ILE A 7 6.655 0.534 -3.159 1.00 0.00 C ATOM 112 O ILE A 7 5.775 0.834 -3.946 1.00 0.00 O ATOM 113 CB ILE A 7 7.150 -1.793 -3.984 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.301 -3.253 -3.549 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.442 -1.331 -4.663 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.208 -4.165 -4.772 1.00 0.00 C ATOM 0 H ILE A 7 4.999 -1.929 -2.842 1.00 0.00 H new ATOM 0 HA ILE A 7 7.712 -0.963 -2.062 1.00 0.00 H new ATOM 0 HB ILE A 7 6.319 -1.704 -4.684 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.258 -3.396 -3.048 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.523 -3.511 -2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.637 -1.954 -5.536 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.338 -0.292 -4.974 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.273 -1.418 -3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.316 -5.204 -4.460 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.240 -4.029 -5.254 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.002 -3.913 -5.475 1.00 0.00 H new ATOM 128 N ILE A 8 7.417 1.439 -2.608 1.00 0.00 N ATOM 129 CA ILE A 8 7.207 2.876 -2.950 1.00 0.00 C ATOM 130 C ILE A 8 8.066 3.260 -4.157 1.00 0.00 C ATOM 131 O ILE A 8 9.280 3.293 -4.077 1.00 0.00 O ATOM 132 CB ILE A 8 7.623 3.711 -1.728 1.00 0.00 C ATOM 133 CG1 ILE A 8 7.116 3.082 -0.404 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.044 5.122 -1.894 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.596 3.218 -0.264 1.00 0.00 C ATOM 0 H ILE A 8 8.167 1.250 -1.944 1.00 0.00 H new ATOM 0 HA ILE A 8 6.162 3.058 -3.203 1.00 0.00 H new ATOM 0 HB ILE A 8 8.711 3.743 -1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.393 2.028 -0.371 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.605 3.566 0.441 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.326 5.734 -1.037 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.436 5.571 -2.806 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.957 5.064 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.275 2.767 0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.323 4.273 -0.271 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.107 2.711 -1.096 1.00 0.00 H new ATOM 147 N ASN A 9 7.447 3.555 -5.272 1.00 0.00 N ATOM 148 CA ASN A 9 8.225 3.943 -6.487 1.00 0.00 C ATOM 149 C ASN A 9 8.324 5.468 -6.585 1.00 0.00 C ATOM 150 O ASN A 9 7.434 6.184 -6.166 1.00 0.00 O ATOM 151 CB ASN A 9 7.430 3.378 -7.664 1.00 0.00 C ATOM 152 CG ASN A 9 8.234 3.551 -8.953 1.00 0.00 C ATOM 153 OD1 ASN A 9 7.784 4.342 -9.888 1.00 0.00 O flip ATOM 154 ND2 ASN A 9 9.285 2.960 -9.112 1.00 0.00 N flip ATOM 0 H ASN A 9 6.434 3.544 -5.393 1.00 0.00 H new ATOM 0 HA ASN A 9 9.245 3.560 -6.465 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.213 2.323 -7.497 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.472 3.891 -7.749 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.638 2.341 -8.382 1.00 0.00 H new ATOM 0 HD22 ASN A 9 9.814 3.083 -9.976 1.00 0.00 H new ATOM 161 N GLY A 10 9.402 5.969 -7.137 1.00 0.00 N ATOM 162 CA GLY A 10 9.567 7.448 -7.268 1.00 0.00 C ATOM 163 C GLY A 10 10.786 7.904 -6.464 1.00 0.00 C ATOM 164 O GLY A 10 11.817 7.257 -6.466 1.00 0.00 O ATOM 0 H GLY A 10 10.176 5.415 -7.503 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.689 7.719 -8.317 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.672 7.957 -6.910 1.00 0.00 H new ATOM 168 N LYS A 11 10.674 9.013 -5.775 1.00 0.00 N ATOM 169 CA LYS A 11 11.824 9.519 -4.965 1.00 0.00 C ATOM 170 C LYS A 11 11.354 9.903 -3.558 1.00 0.00 C ATOM 171 O LYS A 11 11.742 10.924 -3.021 1.00 0.00 O ATOM 172 CB LYS A 11 12.340 10.749 -5.722 1.00 0.00 C ATOM 173 CG LYS A 11 11.224 11.790 -5.857 1.00 0.00 C ATOM 174 CD LYS A 11 11.742 12.996 -6.645 1.00 0.00 C ATOM 175 CE LYS A 11 10.774 14.170 -6.475 1.00 0.00 C ATOM 176 NZ LYS A 11 10.740 14.836 -7.807 1.00 0.00 N ATOM 0 H LYS A 11 9.834 9.590 -5.739 1.00 0.00 H new ATOM 0 HA LYS A 11 12.603 8.767 -4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.189 11.181 -5.193 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.695 10.455 -6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.364 11.353 -6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.885 12.105 -4.870 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.735 13.275 -6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.839 12.740 -7.700 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.783 13.825 -6.181 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.117 14.855 -5.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.097 15.652 -7.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.696 15.160 -8.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.404 14.162 -8.524 1.00 0.00 H new ATOM 190 N THR A 12 10.521 9.090 -2.963 1.00 0.00 N ATOM 191 CA THR A 12 10.014 9.393 -1.590 1.00 0.00 C ATOM 192 C THR A 12 9.721 8.091 -0.851 1.00 0.00 C ATOM 193 O THR A 12 9.327 7.111 -1.447 1.00 0.00 O ATOM 194 CB THR A 12 8.725 10.197 -1.795 1.00 0.00 C ATOM 195 OG1 THR A 12 8.859 11.036 -2.936 1.00 0.00 O ATOM 196 CG2 THR A 12 8.462 11.059 -0.559 1.00 0.00 C ATOM 0 H THR A 12 10.168 8.224 -3.371 1.00 0.00 H new ATOM 0 HA THR A 12 10.739 9.949 -0.996 1.00 0.00 H new ATOM 0 HB THR A 12 7.892 9.511 -1.947 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.033 11.547 -3.065 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.546 11.632 -0.703 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.355 10.418 0.316 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.297 11.743 -0.408 1.00 0.00 H new ATOM 204 N LEU A 13 9.912 8.082 0.448 1.00 0.00 N ATOM 205 CA LEU A 13 9.658 6.851 1.273 1.00 0.00 C ATOM 206 C LEU A 13 10.571 5.697 0.835 1.00 0.00 C ATOM 207 O LEU A 13 11.532 5.372 1.504 1.00 0.00 O ATOM 208 CB LEU A 13 8.177 6.479 1.066 1.00 0.00 C ATOM 209 CG LEU A 13 7.338 6.954 2.253 1.00 0.00 C ATOM 210 CD1 LEU A 13 5.874 6.559 2.024 1.00 0.00 C ATOM 211 CD2 LEU A 13 7.834 6.299 3.548 1.00 0.00 C ATOM 0 H LEU A 13 10.238 8.888 0.982 1.00 0.00 H new ATOM 0 HA LEU A 13 9.872 7.040 2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.807 6.932 0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.079 5.399 0.952 1.00 0.00 H new ATOM 0 HG LEU A 13 7.428 8.037 2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.270 6.895 2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.510 7.026 1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.799 5.475 1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.229 6.645 4.386 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.750 5.216 3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.876 6.570 3.717 1.00 0.00 H new ATOM 223 N LYS A 14 10.276 5.075 -0.282 1.00 0.00 N ATOM 224 CA LYS A 14 11.115 3.934 -0.778 1.00 0.00 C ATOM 225 C LYS A 14 11.227 2.844 0.294 1.00 0.00 C ATOM 226 O LYS A 14 12.037 2.930 1.197 1.00 0.00 O ATOM 227 CB LYS A 14 12.493 4.531 -1.089 1.00 0.00 C ATOM 228 CG LYS A 14 12.517 5.037 -2.532 1.00 0.00 C ATOM 229 CD LYS A 14 13.949 5.417 -2.916 1.00 0.00 C ATOM 230 CE LYS A 14 14.086 5.428 -4.441 1.00 0.00 C ATOM 231 NZ LYS A 14 15.498 5.825 -4.698 1.00 0.00 N ATOM 0 H LYS A 14 9.482 5.311 -0.878 1.00 0.00 H new ATOM 0 HA LYS A 14 10.676 3.467 -1.659 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.710 5.349 -0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.268 3.779 -0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.141 4.266 -3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.860 5.900 -2.637 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.196 6.398 -2.511 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.653 4.707 -2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.869 4.447 -4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.389 6.133 -4.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.669 5.855 -5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.674 6.765 -4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.139 5.132 -4.260 1.00 0.00 H new ATOM 245 N GLY A 15 10.415 1.822 0.195 1.00 0.00 N ATOM 246 CA GLY A 15 10.462 0.718 1.200 1.00 0.00 C ATOM 247 C GLY A 15 9.281 -0.229 0.973 1.00 0.00 C ATOM 248 O GLY A 15 8.516 -0.067 0.042 1.00 0.00 O ATOM 0 H GLY A 15 9.719 1.705 -0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.402 0.172 1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.424 1.128 2.209 1.00 0.00 H new ATOM 252 N GLU A 16 9.131 -1.218 1.818 1.00 0.00 N ATOM 253 CA GLU A 16 8.001 -2.184 1.659 1.00 0.00 C ATOM 254 C GLU A 16 6.965 -1.985 2.770 1.00 0.00 C ATOM 255 O GLU A 16 5.790 -1.817 2.509 1.00 0.00 O ATOM 256 CB GLU A 16 8.645 -3.568 1.768 1.00 0.00 C ATOM 257 CG GLU A 16 8.851 -4.153 0.369 1.00 0.00 C ATOM 258 CD GLU A 16 8.793 -5.681 0.441 1.00 0.00 C ATOM 259 OE1 GLU A 16 9.389 -6.234 1.350 1.00 0.00 O ATOM 260 OE2 GLU A 16 8.151 -6.270 -0.414 1.00 0.00 O ATOM 0 H GLU A 16 9.744 -1.398 2.613 1.00 0.00 H new ATOM 0 HA GLU A 16 7.477 -2.049 0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.601 -3.495 2.286 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.011 -4.229 2.359 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.083 -3.781 -0.309 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.813 -3.833 -0.032 1.00 0.00 H new ATOM 267 N ILE A 17 7.393 -2.007 4.012 1.00 0.00 N ATOM 268 CA ILE A 17 6.438 -1.824 5.157 1.00 0.00 C ATOM 269 C ILE A 17 5.269 -2.813 5.045 1.00 0.00 C ATOM 270 O ILE A 17 4.228 -2.495 4.499 1.00 0.00 O ATOM 271 CB ILE A 17 5.939 -0.375 5.046 1.00 0.00 C ATOM 272 CG1 ILE A 17 7.129 0.595 5.141 1.00 0.00 C ATOM 273 CG2 ILE A 17 4.941 -0.076 6.170 1.00 0.00 C ATOM 274 CD1 ILE A 17 7.859 0.419 6.480 1.00 0.00 C ATOM 0 H ILE A 17 8.366 -2.144 4.284 1.00 0.00 H new ATOM 0 HA ILE A 17 6.915 -2.012 6.119 1.00 0.00 H new ATOM 0 HB ILE A 17 5.443 -0.245 4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.819 0.415 4.317 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.777 1.622 5.044 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.593 0.953 6.083 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.091 -0.754 6.092 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.428 -0.214 7.135 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.698 1.113 6.531 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.170 0.622 7.300 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.228 -0.603 6.562 1.00 0.00 H new ATOM 286 N THR A 18 5.437 -4.007 5.555 1.00 0.00 N ATOM 287 CA THR A 18 4.343 -5.021 5.479 1.00 0.00 C ATOM 288 C THR A 18 3.300 -4.754 6.566 1.00 0.00 C ATOM 289 O THR A 18 3.634 -4.527 7.714 1.00 0.00 O ATOM 290 CB THR A 18 5.022 -6.374 5.718 1.00 0.00 C ATOM 291 OG1 THR A 18 5.596 -6.389 7.017 1.00 0.00 O ATOM 292 CG2 THR A 18 6.117 -6.608 4.672 1.00 0.00 C ATOM 0 H THR A 18 6.287 -4.323 6.022 1.00 0.00 H new ATOM 0 HA THR A 18 3.827 -4.990 4.520 1.00 0.00 H new ATOM 0 HB THR A 18 4.278 -7.166 5.634 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.154 -5.717 7.578 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.592 -7.572 4.852 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.676 -6.602 3.675 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.863 -5.817 4.743 1.00 0.00 H new ATOM 300 N ILE A 19 2.040 -4.786 6.213 1.00 0.00 N ATOM 301 CA ILE A 19 0.968 -4.541 7.228 1.00 0.00 C ATOM 302 C ILE A 19 -0.205 -5.503 7.006 1.00 0.00 C ATOM 303 O ILE A 19 -0.617 -5.746 5.888 1.00 0.00 O ATOM 304 CB ILE A 19 0.532 -3.083 7.031 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.011 -2.875 5.612 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.732 -2.160 7.254 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.537 -2.997 5.621 1.00 0.00 C ATOM 0 H ILE A 19 1.706 -4.971 5.267 1.00 0.00 H new ATOM 0 HA ILE A 19 1.324 -4.711 8.244 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.255 -2.850 7.748 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.283 -1.894 5.240 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.419 -3.614 4.936 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.425 -1.124 7.115 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.110 -2.293 8.268 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.517 -2.405 6.539 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.920 -2.849 4.611 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.821 -3.988 5.975 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.959 -2.241 6.284 1.00 0.00 H new ATOM 319 N GLU A 20 -0.735 -6.055 8.069 1.00 0.00 N ATOM 320 CA GLU A 20 -1.878 -7.009 7.937 1.00 0.00 C ATOM 321 C GLU A 20 -3.183 -6.250 7.687 1.00 0.00 C ATOM 322 O GLU A 20 -3.320 -5.097 8.053 1.00 0.00 O ATOM 323 CB GLU A 20 -1.937 -7.748 9.276 1.00 0.00 C ATOM 324 CG GLU A 20 -2.511 -9.149 9.061 1.00 0.00 C ATOM 325 CD GLU A 20 -1.890 -10.116 10.071 1.00 0.00 C ATOM 326 OE1 GLU A 20 -1.711 -9.717 11.210 1.00 0.00 O ATOM 327 OE2 GLU A 20 -1.605 -11.239 9.689 1.00 0.00 O ATOM 0 H GLU A 20 -0.424 -5.885 9.025 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.745 -7.692 7.098 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.940 -7.815 9.711 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.556 -7.194 9.982 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.595 -9.131 9.177 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.305 -9.486 8.045 1.00 0.00 H new ATOM 334 N ALA A 21 -4.140 -6.891 7.065 1.00 0.00 N ATOM 335 CA ALA A 21 -5.442 -6.217 6.786 1.00 0.00 C ATOM 336 C ALA A 21 -6.492 -7.245 6.357 1.00 0.00 C ATOM 337 O ALA A 21 -6.168 -8.356 5.980 1.00 0.00 O ATOM 338 CB ALA A 21 -5.150 -5.248 5.641 1.00 0.00 C ATOM 0 H ALA A 21 -4.074 -7.855 6.738 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.836 -5.707 7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.062 -4.712 5.377 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.387 -4.535 5.954 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.793 -5.805 4.775 1.00 0.00 H new ATOM 344 N VAL A 22 -7.748 -6.878 6.411 1.00 0.00 N ATOM 345 CA VAL A 22 -8.838 -7.821 6.009 1.00 0.00 C ATOM 346 C VAL A 22 -8.597 -8.343 4.584 1.00 0.00 C ATOM 347 O VAL A 22 -8.828 -9.499 4.286 1.00 0.00 O ATOM 348 CB VAL A 22 -10.129 -6.990 6.080 1.00 0.00 C ATOM 349 CG1 VAL A 22 -10.041 -5.801 5.116 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.331 -7.864 5.705 1.00 0.00 C ATOM 0 H VAL A 22 -8.068 -5.959 6.718 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.886 -8.698 6.655 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.254 -6.619 7.097 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.960 -5.218 5.173 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.194 -5.172 5.391 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.906 -6.167 4.098 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.243 -7.270 5.757 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.203 -8.244 4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.403 -8.701 6.400 1.00 0.00 H new ATOM 360 N ASP A 23 -8.132 -7.489 3.711 1.00 0.00 N ATOM 361 CA ASP A 23 -7.866 -7.907 2.305 1.00 0.00 C ATOM 362 C ASP A 23 -6.929 -6.893 1.649 1.00 0.00 C ATOM 363 O ASP A 23 -6.601 -5.879 2.236 1.00 0.00 O ATOM 364 CB ASP A 23 -9.233 -7.899 1.621 1.00 0.00 C ATOM 365 CG ASP A 23 -9.882 -9.277 1.760 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.364 -10.216 1.178 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.887 -9.371 2.446 1.00 0.00 O ATOM 0 H ASP A 23 -7.924 -6.511 3.915 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.392 -8.886 2.236 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.871 -7.138 2.070 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.123 -7.642 0.567 1.00 0.00 H new ATOM 372 N ALA A 24 -6.495 -7.154 0.440 1.00 0.00 N ATOM 373 CA ALA A 24 -5.574 -6.192 -0.242 1.00 0.00 C ATOM 374 C ALA A 24 -6.261 -4.830 -0.389 1.00 0.00 C ATOM 375 O ALA A 24 -5.616 -3.799 -0.403 1.00 0.00 O ATOM 376 CB ALA A 24 -5.280 -6.799 -1.614 1.00 0.00 C ATOM 0 H ALA A 24 -6.736 -7.985 -0.101 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.656 -6.033 0.324 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.609 -6.142 -2.166 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.810 -7.774 -1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.212 -6.915 -2.168 1.00 0.00 H new ATOM 382 N ALA A 25 -7.570 -4.822 -0.487 1.00 0.00 N ATOM 383 CA ALA A 25 -8.312 -3.533 -0.622 1.00 0.00 C ATOM 384 C ALA A 25 -8.009 -2.631 0.578 1.00 0.00 C ATOM 385 O ALA A 25 -7.641 -1.481 0.426 1.00 0.00 O ATOM 386 CB ALA A 25 -9.793 -3.913 -0.648 1.00 0.00 C ATOM 0 H ALA A 25 -8.156 -5.657 -0.479 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.025 -2.985 -1.520 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.398 -3.012 -0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.985 -4.572 -1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.053 -4.426 0.278 1.00 0.00 H new ATOM 392 N GLU A 26 -8.147 -3.157 1.771 1.00 0.00 N ATOM 393 CA GLU A 26 -7.852 -2.345 2.990 1.00 0.00 C ATOM 394 C GLU A 26 -6.372 -1.963 2.990 1.00 0.00 C ATOM 395 O GLU A 26 -6.014 -0.834 3.264 1.00 0.00 O ATOM 396 CB GLU A 26 -8.178 -3.257 4.175 1.00 0.00 C ATOM 397 CG GLU A 26 -7.958 -2.497 5.485 1.00 0.00 C ATOM 398 CD GLU A 26 -9.284 -1.897 5.958 1.00 0.00 C ATOM 399 OE1 GLU A 26 -9.687 -0.889 5.402 1.00 0.00 O ATOM 400 OE2 GLU A 26 -9.874 -2.458 6.867 1.00 0.00 O ATOM 0 H GLU A 26 -8.451 -4.114 1.952 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.431 -1.422 3.033 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.211 -3.599 4.110 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.546 -4.145 4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.560 -3.169 6.245 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.221 -1.707 5.340 1.00 0.00 H new ATOM 407 N ALA A 27 -5.511 -2.898 2.662 1.00 0.00 N ATOM 408 CA ALA A 27 -4.044 -2.591 2.617 1.00 0.00 C ATOM 409 C ALA A 27 -3.794 -1.426 1.658 1.00 0.00 C ATOM 410 O ALA A 27 -3.092 -0.484 1.978 1.00 0.00 O ATOM 411 CB ALA A 27 -3.373 -3.862 2.089 1.00 0.00 C ATOM 0 H ALA A 27 -5.759 -3.858 2.424 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.653 -2.308 3.594 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.296 -3.707 2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.584 -4.692 2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.761 -4.093 1.097 1.00 0.00 H new ATOM 417 N GLU A 28 -4.385 -1.479 0.489 1.00 0.00 N ATOM 418 CA GLU A 28 -4.208 -0.370 -0.496 1.00 0.00 C ATOM 419 C GLU A 28 -4.711 0.939 0.114 1.00 0.00 C ATOM 420 O GLU A 28 -4.167 1.992 -0.136 1.00 0.00 O ATOM 421 CB GLU A 28 -5.055 -0.758 -1.712 1.00 0.00 C ATOM 422 CG GLU A 28 -4.572 0.015 -2.945 1.00 0.00 C ATOM 423 CD GLU A 28 -5.743 0.211 -3.911 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.008 -0.697 -4.682 1.00 0.00 O ATOM 425 OE2 GLU A 28 -6.355 1.265 -3.862 1.00 0.00 O ATOM 0 H GLU A 28 -4.983 -2.244 0.176 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.164 -0.224 -0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.982 -1.831 -1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.105 -0.538 -1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.166 0.982 -2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.767 -0.530 -3.438 1.00 0.00 H new ATOM 432 N LYS A 29 -5.736 0.871 0.933 1.00 0.00 N ATOM 433 CA LYS A 29 -6.266 2.107 1.578 1.00 0.00 C ATOM 434 C LYS A 29 -5.311 2.517 2.715 1.00 0.00 C ATOM 435 O LYS A 29 -4.930 3.672 2.830 1.00 0.00 O ATOM 436 CB LYS A 29 -7.710 1.724 2.019 1.00 0.00 C ATOM 437 CG LYS A 29 -7.887 1.593 3.552 1.00 0.00 C ATOM 438 CD LYS A 29 -7.937 2.974 4.247 1.00 0.00 C ATOM 439 CE LYS A 29 -8.916 3.915 3.532 1.00 0.00 C ATOM 440 NZ LYS A 29 -9.078 5.076 4.449 1.00 0.00 N ATOM 0 H LYS A 29 -6.225 0.011 1.180 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.319 2.987 0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.404 2.477 1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.983 0.779 1.550 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.805 1.045 3.766 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.064 1.009 3.964 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.239 2.851 5.287 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.941 3.417 4.255 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.525 4.229 2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.871 3.423 3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.735 5.763 4.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.458 4.748 5.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.154 5.529 4.602 1.00 0.00 H new ATOM 454 N ILE A 30 -4.887 1.575 3.526 1.00 0.00 N ATOM 455 CA ILE A 30 -3.926 1.907 4.624 1.00 0.00 C ATOM 456 C ILE A 30 -2.632 2.412 3.989 1.00 0.00 C ATOM 457 O ILE A 30 -2.006 3.340 4.467 1.00 0.00 O ATOM 458 CB ILE A 30 -3.683 0.593 5.375 1.00 0.00 C ATOM 459 CG1 ILE A 30 -5.001 0.083 5.962 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.685 0.830 6.512 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.863 -1.401 6.321 1.00 0.00 C ATOM 0 H ILE A 30 -5.164 0.595 3.474 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.299 2.675 5.301 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.282 -0.147 4.682 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.263 0.659 6.849 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.808 0.220 5.243 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.513 -0.105 7.046 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.743 1.192 6.100 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.088 1.572 7.201 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.802 -1.763 6.739 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.621 -1.971 5.424 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.067 -1.525 7.056 1.00 0.00 H new ATOM 473 N PHE A 31 -2.251 1.810 2.893 1.00 0.00 N ATOM 474 CA PHE A 31 -1.018 2.247 2.182 1.00 0.00 C ATOM 475 C PHE A 31 -1.287 3.580 1.481 1.00 0.00 C ATOM 476 O PHE A 31 -0.439 4.451 1.437 1.00 0.00 O ATOM 477 CB PHE A 31 -0.729 1.141 1.160 1.00 0.00 C ATOM 478 CG PHE A 31 0.004 -0.001 1.827 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.141 0.250 2.607 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.453 -1.313 1.659 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.819 -0.811 3.217 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.225 -2.374 2.271 1.00 0.00 C ATOM 483 CZ PHE A 31 1.362 -2.123 3.049 1.00 0.00 C ATOM 0 H PHE A 31 -2.745 1.030 2.459 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.172 2.396 2.853 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.663 0.781 0.727 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.130 1.539 0.341 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.494 1.262 2.737 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.329 -1.507 1.057 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.695 -0.617 3.818 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.129 -3.386 2.143 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.886 -2.942 3.519 1.00 0.00 H new ATOM 493 N LYS A 32 -2.471 3.745 0.935 1.00 0.00 N ATOM 494 CA LYS A 32 -2.812 5.021 0.239 1.00 0.00 C ATOM 495 C LYS A 32 -3.045 6.161 1.242 1.00 0.00 C ATOM 496 O LYS A 32 -3.235 7.299 0.853 1.00 0.00 O ATOM 497 CB LYS A 32 -4.086 4.741 -0.553 1.00 0.00 C ATOM 498 CG LYS A 32 -3.719 4.056 -1.871 1.00 0.00 C ATOM 499 CD LYS A 32 -4.992 3.600 -2.587 1.00 0.00 C ATOM 500 CE LYS A 32 -4.748 3.570 -4.098 1.00 0.00 C ATOM 501 NZ LYS A 32 -6.003 4.099 -4.703 1.00 0.00 N ATOM 0 H LYS A 32 -3.215 3.047 0.944 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.995 5.340 -0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.756 4.106 0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.619 5.672 -0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.160 4.743 -2.506 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.072 3.200 -1.679 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.284 2.610 -2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.814 4.277 -2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.889 4.183 -4.371 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.540 2.558 -4.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.865 4.236 -5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.776 3.422 -4.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.245 5.009 -4.261 1.00 0.00 H new ATOM 515 N GLN A 33 -2.981 5.885 2.525 1.00 0.00 N ATOM 516 CA GLN A 33 -3.143 6.975 3.538 1.00 0.00 C ATOM 517 C GLN A 33 -1.742 7.254 4.048 1.00 0.00 C ATOM 518 O GLN A 33 -1.278 8.374 4.121 1.00 0.00 O ATOM 519 CB GLN A 33 -4.027 6.390 4.641 1.00 0.00 C ATOM 520 CG GLN A 33 -4.322 7.468 5.685 1.00 0.00 C ATOM 521 CD GLN A 33 -5.566 8.255 5.268 1.00 0.00 C ATOM 522 OE1 GLN A 33 -5.807 8.456 4.094 1.00 0.00 O ATOM 523 NE2 GLN A 33 -6.373 8.709 6.188 1.00 0.00 N ATOM 0 H GLN A 33 -2.824 4.954 2.912 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.593 7.893 3.161 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.958 6.017 4.215 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.528 5.542 5.110 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.479 7.010 6.662 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.469 8.140 5.781 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.170 8.540 7.173 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.207 9.233 5.922 1.00 0.00 H new ATOM 532 N TYR A 34 -1.055 6.184 4.323 1.00 0.00 N ATOM 533 CA TYR A 34 0.366 6.229 4.758 1.00 0.00 C ATOM 534 C TYR A 34 1.170 7.111 3.772 1.00 0.00 C ATOM 535 O TYR A 34 2.055 7.850 4.154 1.00 0.00 O ATOM 536 CB TYR A 34 0.743 4.736 4.661 1.00 0.00 C ATOM 537 CG TYR A 34 2.231 4.527 4.454 1.00 0.00 C ATOM 538 CD1 TYR A 34 3.089 4.465 5.560 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.747 4.393 3.160 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.462 4.268 5.370 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.119 4.196 2.971 1.00 0.00 C ATOM 542 CZ TYR A 34 4.977 4.133 4.076 1.00 0.00 C ATOM 543 OH TYR A 34 6.331 3.940 3.889 1.00 0.00 O ATOM 0 H TYR A 34 -1.438 5.241 4.261 1.00 0.00 H new ATOM 0 HA TYR A 34 0.557 6.654 5.743 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.431 4.225 5.572 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.197 4.279 3.836 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.691 4.569 6.559 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.086 4.442 2.307 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.124 4.220 6.222 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.517 4.092 1.972 1.00 0.00 H new ATOM 0 HH TYR A 34 6.502 3.708 2.952 1.00 0.00 H new ATOM 553 N ALA A 35 0.835 7.028 2.508 1.00 0.00 N ATOM 554 CA ALA A 35 1.536 7.850 1.471 1.00 0.00 C ATOM 555 C ALA A 35 1.253 9.338 1.697 1.00 0.00 C ATOM 556 O ALA A 35 2.148 10.161 1.677 1.00 0.00 O ATOM 557 CB ALA A 35 0.930 7.402 0.138 1.00 0.00 C ATOM 0 H ALA A 35 0.099 6.421 2.146 1.00 0.00 H new ATOM 0 HA ALA A 35 2.617 7.716 1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.392 7.959 -0.677 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.110 6.336 -0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.143 7.591 0.144 1.00 0.00 H new ATOM 563 N ASN A 36 0.008 9.684 1.906 1.00 0.00 N ATOM 564 CA ASN A 36 -0.357 11.119 2.129 1.00 0.00 C ATOM 565 C ASN A 36 0.384 11.679 3.346 1.00 0.00 C ATOM 566 O ASN A 36 0.952 12.754 3.295 1.00 0.00 O ATOM 567 CB ASN A 36 -1.864 11.118 2.380 1.00 0.00 C ATOM 568 CG ASN A 36 -2.604 11.004 1.045 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.029 11.996 0.487 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.777 9.828 0.504 1.00 0.00 N ATOM 0 H ASN A 36 -0.776 9.032 1.932 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.085 11.743 1.277 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.135 10.286 3.030 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.158 12.033 2.894 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.268 9.743 -0.386 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.421 8.994 0.971 1.00 0.00 H new ATOM 577 N ASP A 37 0.380 10.957 4.436 1.00 0.00 N ATOM 578 CA ASP A 37 1.082 11.442 5.665 1.00 0.00 C ATOM 579 C ASP A 37 2.574 11.659 5.390 1.00 0.00 C ATOM 580 O ASP A 37 3.249 12.364 6.117 1.00 0.00 O ATOM 581 CB ASP A 37 0.884 10.341 6.709 1.00 0.00 C ATOM 582 CG ASP A 37 1.001 10.940 8.112 1.00 0.00 C ATOM 583 OD1 ASP A 37 1.950 11.671 8.345 1.00 0.00 O ATOM 584 OD2 ASP A 37 0.140 10.659 8.929 1.00 0.00 O ATOM 0 H ASP A 37 -0.079 10.051 4.530 1.00 0.00 H new ATOM 0 HA ASP A 37 0.684 12.399 6.003 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.093 9.876 6.581 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.630 9.558 6.573 1.00 0.00 H new ATOM 589 N ASN A 38 3.088 11.059 4.351 1.00 0.00 N ATOM 590 CA ASN A 38 4.526 11.218 4.019 1.00 0.00 C ATOM 591 C ASN A 38 4.699 12.166 2.828 1.00 0.00 C ATOM 592 O ASN A 38 5.716 12.819 2.688 1.00 0.00 O ATOM 593 CB ASN A 38 5.008 9.812 3.662 1.00 0.00 C ATOM 594 CG ASN A 38 5.509 9.107 4.925 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.448 9.554 5.552 1.00 0.00 O ATOM 596 ND2 ASN A 38 4.917 8.015 5.326 1.00 0.00 N ATOM 0 H ASN A 38 2.564 10.460 3.713 1.00 0.00 H new ATOM 0 HA ASN A 38 5.093 11.646 4.845 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.196 9.241 3.212 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.807 9.867 2.922 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.243 7.537 6.166 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.128 7.640 4.799 1.00 0.00 H new ATOM 603 N GLY A 39 3.714 12.240 1.967 1.00 0.00 N ATOM 604 CA GLY A 39 3.814 13.138 0.777 1.00 0.00 C ATOM 605 C GLY A 39 3.966 12.288 -0.486 1.00 0.00 C ATOM 606 O GLY A 39 4.604 12.687 -1.441 1.00 0.00 O ATOM 0 H GLY A 39 2.842 11.715 2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.925 13.764 0.703 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.667 13.808 0.883 1.00 0.00 H new ATOM 610 N ILE A 40 3.385 11.117 -0.490 1.00 0.00 N ATOM 611 CA ILE A 40 3.486 10.219 -1.677 1.00 0.00 C ATOM 612 C ILE A 40 2.232 10.380 -2.546 1.00 0.00 C ATOM 613 O ILE A 40 1.120 10.156 -2.104 1.00 0.00 O ATOM 614 CB ILE A 40 3.626 8.811 -1.052 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.104 8.531 -0.805 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.065 7.700 -1.943 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.603 9.474 0.279 1.00 0.00 C ATOM 0 H ILE A 40 2.840 10.741 0.286 1.00 0.00 H new ATOM 0 HA ILE A 40 4.322 10.433 -2.343 1.00 0.00 H new ATOM 0 HB ILE A 40 3.050 8.810 -0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.247 7.494 -0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.674 8.674 -1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.193 6.737 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.005 7.878 -2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.597 7.693 -2.894 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.660 9.285 0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.471 10.506 -0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.036 9.308 1.195 1.00 0.00 H new ATOM 629 N ASP A 41 2.419 10.767 -3.776 1.00 0.00 N ATOM 630 CA ASP A 41 1.250 10.951 -4.696 1.00 0.00 C ATOM 631 C ASP A 41 1.663 10.732 -6.159 1.00 0.00 C ATOM 632 O ASP A 41 2.345 11.546 -6.752 1.00 0.00 O ATOM 633 CB ASP A 41 0.784 12.395 -4.476 1.00 0.00 C ATOM 634 CG ASP A 41 1.932 13.369 -4.763 1.00 0.00 C ATOM 635 OD1 ASP A 41 2.863 13.404 -3.977 1.00 0.00 O ATOM 636 OD2 ASP A 41 1.857 14.061 -5.765 1.00 0.00 O ATOM 0 H ASP A 41 3.330 10.965 -4.190 1.00 0.00 H new ATOM 0 HA ASP A 41 0.458 10.232 -4.488 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.062 12.616 -5.127 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.438 12.521 -3.450 1.00 0.00 H new ATOM 641 N GLY A 42 1.242 9.637 -6.743 1.00 0.00 N ATOM 642 CA GLY A 42 1.592 9.353 -8.168 1.00 0.00 C ATOM 643 C GLY A 42 0.702 8.225 -8.701 1.00 0.00 C ATOM 644 O GLY A 42 -0.487 8.403 -8.891 1.00 0.00 O ATOM 0 H GLY A 42 0.668 8.925 -6.291 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.459 10.251 -8.772 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.642 9.069 -8.246 1.00 0.00 H new ATOM 648 N GLU A 43 1.269 7.069 -8.947 1.00 0.00 N ATOM 649 CA GLU A 43 0.453 5.926 -9.475 1.00 0.00 C ATOM 650 C GLU A 43 0.284 4.840 -8.403 1.00 0.00 C ATOM 651 O GLU A 43 0.819 4.945 -7.323 1.00 0.00 O ATOM 652 CB GLU A 43 1.254 5.387 -10.666 1.00 0.00 C ATOM 653 CG GLU A 43 0.312 5.107 -11.844 1.00 0.00 C ATOM 654 CD GLU A 43 0.008 3.608 -11.918 1.00 0.00 C ATOM 655 OE1 GLU A 43 -0.950 3.187 -11.291 1.00 0.00 O ATOM 656 OE2 GLU A 43 0.739 2.909 -12.600 1.00 0.00 O ATOM 0 H GLU A 43 2.259 6.866 -8.806 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.551 6.238 -9.762 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.015 6.110 -10.961 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.776 4.473 -10.381 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.614 5.670 -11.723 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.769 5.441 -12.775 1.00 0.00 H new ATOM 663 N TRP A 44 -0.461 3.801 -8.704 1.00 0.00 N ATOM 664 CA TRP A 44 -0.683 2.689 -7.716 1.00 0.00 C ATOM 665 C TRP A 44 -0.972 1.387 -8.459 1.00 0.00 C ATOM 666 O TRP A 44 -1.786 1.350 -9.364 1.00 0.00 O ATOM 667 CB TRP A 44 -1.922 3.097 -6.914 1.00 0.00 C ATOM 668 CG TRP A 44 -1.531 3.988 -5.789 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.435 5.335 -5.848 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.193 3.610 -4.432 1.00 0.00 C ATOM 671 NE1 TRP A 44 -1.045 5.807 -4.609 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.884 4.779 -3.702 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.123 2.372 -3.775 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.512 4.723 -2.361 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.750 2.311 -2.423 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.445 3.487 -1.719 1.00 0.00 C ATOM 0 H TRP A 44 -0.930 3.673 -9.601 1.00 0.00 H new ATOM 0 HA TRP A 44 0.189 2.532 -7.081 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.633 3.608 -7.563 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.424 2.210 -6.528 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.631 5.942 -6.719 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.895 6.792 -4.392 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.357 1.464 -4.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.277 5.629 -1.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.697 1.356 -1.922 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.158 3.434 -0.679 1.00 0.00 H new ATOM 687 N THR A 45 -0.324 0.318 -8.077 1.00 0.00 N ATOM 688 CA THR A 45 -0.576 -0.991 -8.758 1.00 0.00 C ATOM 689 C THR A 45 -0.492 -2.117 -7.739 1.00 0.00 C ATOM 690 O THR A 45 0.434 -2.183 -6.956 1.00 0.00 O ATOM 691 CB THR A 45 0.518 -1.165 -9.825 1.00 0.00 C ATOM 692 OG1 THR A 45 1.731 -1.566 -9.208 1.00 0.00 O ATOM 693 CG2 THR A 45 0.741 0.145 -10.580 1.00 0.00 C ATOM 0 H THR A 45 0.366 0.292 -7.327 1.00 0.00 H new ATOM 0 HA THR A 45 -1.566 -1.013 -9.214 1.00 0.00 H new ATOM 0 HB THR A 45 0.196 -1.930 -10.531 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.648 -1.478 -8.236 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.518 0.004 -11.331 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.186 0.446 -11.069 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.050 0.921 -9.879 1.00 0.00 H new ATOM 701 N TYR A 46 -1.449 -3.000 -7.752 1.00 0.00 N ATOM 702 CA TYR A 46 -1.436 -4.136 -6.787 1.00 0.00 C ATOM 703 C TYR A 46 -0.877 -5.393 -7.469 1.00 0.00 C ATOM 704 O TYR A 46 -1.193 -5.687 -8.607 1.00 0.00 O ATOM 705 CB TYR A 46 -2.904 -4.327 -6.375 1.00 0.00 C ATOM 706 CG TYR A 46 -3.049 -5.591 -5.552 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.327 -5.736 -4.364 1.00 0.00 C ATOM 708 CD2 TYR A 46 -3.895 -6.618 -5.987 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.447 -6.906 -3.609 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.017 -7.790 -5.231 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.295 -7.934 -4.042 1.00 0.00 C ATOM 712 OH TYR A 46 -3.418 -9.089 -3.297 1.00 0.00 O ATOM 0 H TYR A 46 -2.244 -2.985 -8.391 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.804 -3.946 -5.920 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.244 -3.467 -5.799 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.535 -4.386 -7.262 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.675 -4.943 -4.029 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.453 -6.506 -6.905 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.887 -7.018 -2.693 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.669 -8.583 -5.566 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.046 -9.698 -3.739 1.00 0.00 H new ATOM 722 N ASP A 47 -0.061 -6.138 -6.770 1.00 0.00 N ATOM 723 CA ASP A 47 0.513 -7.383 -7.354 1.00 0.00 C ATOM 724 C ASP A 47 -0.131 -8.603 -6.693 1.00 0.00 C ATOM 725 O ASP A 47 0.228 -8.987 -5.594 1.00 0.00 O ATOM 726 CB ASP A 47 2.009 -7.325 -7.040 1.00 0.00 C ATOM 727 CG ASP A 47 2.647 -6.152 -7.789 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.673 -5.064 -7.237 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.100 -6.362 -8.902 1.00 0.00 O ATOM 0 H ASP A 47 0.233 -5.935 -5.815 1.00 0.00 H new ATOM 0 HA ASP A 47 0.334 -7.462 -8.426 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.161 -7.210 -5.967 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.488 -8.259 -7.332 1.00 0.00 H new ATOM 734 N ASP A 48 -1.082 -9.214 -7.357 1.00 0.00 N ATOM 735 CA ASP A 48 -1.765 -10.414 -6.777 1.00 0.00 C ATOM 736 C ASP A 48 -0.828 -11.633 -6.737 1.00 0.00 C ATOM 737 O ASP A 48 -1.178 -12.669 -6.202 1.00 0.00 O ATOM 738 CB ASP A 48 -2.961 -10.684 -7.699 1.00 0.00 C ATOM 739 CG ASP A 48 -2.472 -10.933 -9.130 1.00 0.00 C ATOM 740 OD1 ASP A 48 -2.284 -9.965 -9.847 1.00 0.00 O ATOM 741 OD2 ASP A 48 -2.298 -12.088 -9.482 1.00 0.00 O ATOM 0 H ASP A 48 -1.416 -8.933 -8.279 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.071 -10.235 -5.746 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.519 -11.549 -7.341 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.644 -9.834 -7.682 1.00 0.00 H new ATOM 746 N ALA A 49 0.357 -11.521 -7.287 1.00 0.00 N ATOM 747 CA ALA A 49 1.311 -12.666 -7.271 1.00 0.00 C ATOM 748 C ALA A 49 2.198 -12.576 -6.028 1.00 0.00 C ATOM 749 O ALA A 49 2.664 -13.575 -5.514 1.00 0.00 O ATOM 750 CB ALA A 49 2.149 -12.507 -8.541 1.00 0.00 C ATOM 0 H ALA A 49 0.703 -10.679 -7.748 1.00 0.00 H new ATOM 0 HA ALA A 49 0.806 -13.631 -7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.877 -13.316 -8.600 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.497 -12.541 -9.414 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.671 -11.550 -8.515 1.00 0.00 H new ATOM 756 N THR A 50 2.421 -11.382 -5.537 1.00 0.00 N ATOM 757 CA THR A 50 3.262 -11.213 -4.319 1.00 0.00 C ATOM 758 C THR A 50 2.502 -10.409 -3.258 1.00 0.00 C ATOM 759 O THR A 50 3.055 -10.046 -2.238 1.00 0.00 O ATOM 760 CB THR A 50 4.493 -10.440 -4.793 1.00 0.00 C ATOM 761 OG1 THR A 50 4.085 -9.202 -5.359 1.00 0.00 O ATOM 762 CG2 THR A 50 5.241 -11.261 -5.842 1.00 0.00 C ATOM 0 H THR A 50 2.054 -10.516 -5.931 1.00 0.00 H new ATOM 0 HA THR A 50 3.528 -12.168 -3.865 1.00 0.00 H new ATOM 0 HB THR A 50 5.152 -10.252 -3.945 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.083 -8.510 -4.665 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.118 -10.709 -6.179 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.555 -12.209 -5.406 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.584 -11.452 -6.691 1.00 0.00 H new ATOM 770 N LYS A 51 1.235 -10.118 -3.488 1.00 0.00 N ATOM 771 CA LYS A 51 0.439 -9.325 -2.493 1.00 0.00 C ATOM 772 C LYS A 51 1.158 -8.012 -2.177 1.00 0.00 C ATOM 773 O LYS A 51 1.194 -7.569 -1.044 1.00 0.00 O ATOM 774 CB LYS A 51 0.343 -10.201 -1.236 1.00 0.00 C ATOM 775 CG LYS A 51 -0.310 -11.542 -1.584 1.00 0.00 C ATOM 776 CD LYS A 51 -1.782 -11.320 -1.942 1.00 0.00 C ATOM 777 CE LYS A 51 -2.408 -12.651 -2.370 1.00 0.00 C ATOM 778 NZ LYS A 51 -2.449 -13.475 -1.130 1.00 0.00 N ATOM 0 H LYS A 51 0.721 -10.397 -4.324 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.550 -9.071 -2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.337 -10.367 -0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.241 -9.690 -0.470 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.212 -12.006 -2.421 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.230 -12.227 -0.740 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.318 -10.912 -1.085 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.866 -10.590 -2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.408 -12.503 -2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.814 -13.135 -3.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.182 -14.207 -1.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.524 -13.928 -0.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.669 -12.866 -0.316 1.00 0.00 H new ATOM 792 N THR A 52 1.738 -7.396 -3.173 1.00 0.00 N ATOM 793 CA THR A 52 2.466 -6.113 -2.940 1.00 0.00 C ATOM 794 C THR A 52 1.923 -5.013 -3.856 1.00 0.00 C ATOM 795 O THR A 52 1.615 -5.254 -5.006 1.00 0.00 O ATOM 796 CB THR A 52 3.925 -6.421 -3.279 1.00 0.00 C ATOM 797 OG1 THR A 52 4.278 -7.690 -2.744 1.00 0.00 O ATOM 798 CG2 THR A 52 4.830 -5.344 -2.680 1.00 0.00 C ATOM 0 H THR A 52 1.739 -7.726 -4.138 1.00 0.00 H new ATOM 0 HA THR A 52 2.349 -5.755 -1.917 1.00 0.00 H new ATOM 0 HB THR A 52 4.050 -6.435 -4.362 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.212 -7.889 -2.962 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.869 -5.566 -2.923 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.560 -4.372 -3.092 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.706 -5.326 -1.597 1.00 0.00 H new ATOM 806 N PHE A 53 1.809 -3.809 -3.355 1.00 0.00 N ATOM 807 CA PHE A 53 1.292 -2.690 -4.200 1.00 0.00 C ATOM 808 C PHE A 53 2.474 -1.910 -4.800 1.00 0.00 C ATOM 809 O PHE A 53 3.610 -2.329 -4.679 1.00 0.00 O ATOM 810 CB PHE A 53 0.474 -1.819 -3.246 1.00 0.00 C ATOM 811 CG PHE A 53 -0.813 -2.532 -2.889 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.826 -3.482 -1.856 1.00 0.00 C ATOM 813 CD2 PHE A 53 -1.994 -2.244 -3.586 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.018 -4.140 -1.523 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.182 -2.904 -3.251 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.195 -3.849 -2.220 1.00 0.00 C ATOM 0 H PHE A 53 2.051 -3.553 -2.398 1.00 0.00 H new ATOM 0 HA PHE A 53 0.685 -3.034 -5.037 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.049 -1.610 -2.344 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.253 -0.859 -3.712 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.083 -3.706 -1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.988 -1.513 -4.381 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.027 -4.871 -0.728 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.091 -2.683 -3.790 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.114 -4.354 -1.962 1.00 0.00 H new ATOM 826 N THR A 54 2.232 -0.782 -5.440 1.00 0.00 N ATOM 827 CA THR A 54 3.356 0.000 -6.029 1.00 0.00 C ATOM 828 C THR A 54 2.894 1.437 -6.176 1.00 0.00 C ATOM 829 O THR A 54 2.271 1.802 -7.156 1.00 0.00 O ATOM 830 CB THR A 54 3.648 -0.618 -7.402 1.00 0.00 C ATOM 831 OG1 THR A 54 3.355 -2.010 -7.382 1.00 0.00 O ATOM 832 CG2 THR A 54 5.124 -0.415 -7.747 1.00 0.00 C ATOM 0 H THR A 54 1.305 -0.378 -5.575 1.00 0.00 H new ATOM 0 HA THR A 54 4.254 -0.021 -5.412 1.00 0.00 H new ATOM 0 HB THR A 54 3.024 -0.132 -8.152 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.116 -2.307 -8.285 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.333 -0.854 -8.723 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.348 0.651 -7.773 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.744 -0.898 -6.992 1.00 0.00 H new ATOM 840 N VAL A 55 3.169 2.241 -5.194 1.00 0.00 N ATOM 841 CA VAL A 55 2.719 3.659 -5.248 1.00 0.00 C ATOM 842 C VAL A 55 3.818 4.563 -5.815 1.00 0.00 C ATOM 843 O VAL A 55 4.798 4.869 -5.164 1.00 0.00 O ATOM 844 CB VAL A 55 2.317 4.048 -3.805 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.417 3.693 -2.801 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.032 5.551 -3.731 1.00 0.00 C ATOM 0 H VAL A 55 3.686 1.980 -4.354 1.00 0.00 H new ATOM 0 HA VAL A 55 1.868 3.783 -5.918 1.00 0.00 H new ATOM 0 HB VAL A 55 1.421 3.484 -3.547 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.101 3.980 -1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.603 2.619 -2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.332 4.227 -3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.750 5.818 -2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.926 6.105 -4.017 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.217 5.801 -4.411 1.00 0.00 H new ATOM 856 N THR A 56 3.629 5.003 -7.028 1.00 0.00 N ATOM 857 CA THR A 56 4.616 5.910 -7.672 1.00 0.00 C ATOM 858 C THR A 56 4.277 7.353 -7.269 1.00 0.00 C ATOM 859 O THR A 56 3.242 7.608 -6.684 1.00 0.00 O ATOM 860 CB THR A 56 4.431 5.647 -9.184 1.00 0.00 C ATOM 861 OG1 THR A 56 5.200 4.511 -9.553 1.00 0.00 O ATOM 862 CG2 THR A 56 4.878 6.848 -10.029 1.00 0.00 C ATOM 0 H THR A 56 2.822 4.769 -7.606 1.00 0.00 H new ATOM 0 HA THR A 56 5.653 5.745 -7.380 1.00 0.00 H new ATOM 0 HB THR A 56 3.371 5.477 -9.371 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.089 4.799 -9.847 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.732 6.624 -11.086 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.287 7.723 -9.759 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.933 7.051 -9.843 1.00 0.00 H new ATOM 870 N GLU A 57 5.140 8.288 -7.575 1.00 0.00 N ATOM 871 CA GLU A 57 4.867 9.709 -7.209 1.00 0.00 C ATOM 872 C GLU A 57 4.955 10.602 -8.451 1.00 0.00 C ATOM 873 O GLU A 57 6.060 10.968 -8.816 1.00 0.00 O ATOM 874 CB GLU A 57 5.958 10.077 -6.202 1.00 0.00 C ATOM 875 CG GLU A 57 5.710 11.492 -5.673 1.00 0.00 C ATOM 876 CD GLU A 57 6.422 12.506 -6.570 1.00 0.00 C ATOM 877 OE1 GLU A 57 7.611 12.340 -6.789 1.00 0.00 O ATOM 878 OE2 GLU A 57 5.767 13.429 -7.023 1.00 0.00 O ATOM 879 OXT GLU A 57 3.916 10.902 -9.015 1.00 0.00 O ATOM 0 H GLU A 57 6.022 8.128 -8.062 1.00 0.00 H new ATOM 0 HA GLU A 57 3.869 9.844 -6.793 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.961 9.365 -5.377 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.938 10.021 -6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.640 11.700 -5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.074 11.578 -4.649 1.00 0.00 H new TER 886 GLU A 57