USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 249 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -160:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -61:sc= 0.421 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc=-5.42e-05 X(o=-5.4e-05,f=-5.4e-05) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 160:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.103 27.091 11.937 1.00 0.00 N ATOM 2 CA MET A 1 0.139 26.204 12.645 1.00 0.00 C ATOM 3 C MET A 1 -1.331 26.560 12.389 1.00 0.00 C ATOM 4 O MET A 1 -1.736 27.718 12.542 1.00 0.00 O ATOM 5 CB MET A 1 0.543 25.982 14.111 1.00 0.00 C ATOM 6 CG MET A 1 1.414 24.756 14.356 1.00 0.00 C ATOM 7 SD MET A 1 2.851 25.045 15.405 1.00 0.00 S ATOM 8 CE MET A 1 3.660 23.461 15.191 1.00 0.00 C ATOM 0 H1 MET A 1 2.075 26.792 12.156 1.00 0.00 H new ATOM 0 H2 MET A 1 0.944 27.028 10.911 1.00 0.00 H new ATOM 0 H3 MET A 1 0.964 28.073 12.249 1.00 0.00 H new ATOM 0 HA MET A 1 0.209 25.214 12.194 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.076 26.865 14.464 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.361 25.894 14.713 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.801 23.978 14.810 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.755 24.372 13.394 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.583 23.443 15.771 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.999 22.665 15.535 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.891 23.310 14.137 1.00 0.00 H new ATOM 18 N ILE A 2 -2.027 25.508 11.928 1.00 0.00 N ATOM 19 CA ILE A 2 -3.387 25.380 11.375 1.00 0.00 C ATOM 20 C ILE A 2 -4.259 24.380 12.159 1.00 0.00 C ATOM 21 O ILE A 2 -3.720 23.361 12.596 1.00 0.00 O ATOM 22 CB ILE A 2 -3.499 25.140 9.840 1.00 0.00 C ATOM 23 CG1 ILE A 2 -2.788 23.985 9.110 1.00 0.00 C ATOM 24 CG2 ILE A 2 -3.296 26.415 9.032 1.00 0.00 C ATOM 25 CD1 ILE A 2 -3.569 22.710 8.851 1.00 0.00 C ATOM 0 H ILE A 2 -1.580 24.591 11.937 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.787 26.384 11.517 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.524 24.769 9.869 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.440 24.363 8.149 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.902 23.721 9.688 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.384 26.190 7.969 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.053 27.148 9.312 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.305 26.821 9.236 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.934 21.994 8.330 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -3.895 22.284 9.800 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.441 22.936 8.237 1.00 0.00 H new ATOM 36 N SER A 3 -5.572 24.631 12.318 1.00 0.00 N ATOM 37 CA SER A 3 -6.613 23.736 12.853 1.00 0.00 C ATOM 38 C SER A 3 -7.513 23.074 11.780 1.00 0.00 C ATOM 39 O SER A 3 -8.624 23.547 11.520 1.00 0.00 O ATOM 40 CB SER A 3 -7.349 24.391 14.044 1.00 0.00 C ATOM 41 OG SER A 3 -6.586 24.684 15.207 1.00 0.00 O ATOM 0 H SER A 3 -5.962 25.536 12.055 1.00 0.00 H new ATOM 0 HA SER A 3 -6.106 22.863 13.265 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.797 25.321 13.692 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.168 23.733 14.336 1.00 0.00 H new ATOM 0 HG SER A 3 -7.164 25.095 15.883 1.00 0.00 H new ATOM 46 N ASP A 4 -6.899 22.180 10.975 1.00 0.00 N ATOM 47 CA ASP A 4 -7.350 21.310 9.862 1.00 0.00 C ATOM 48 C ASP A 4 -6.444 20.087 9.564 1.00 0.00 C ATOM 49 O ASP A 4 -5.356 20.020 10.142 1.00 0.00 O ATOM 50 CB ASP A 4 -7.547 22.122 8.565 1.00 0.00 C ATOM 51 CG ASP A 4 -8.870 22.101 7.814 1.00 0.00 C ATOM 52 OD1 ASP A 4 -9.943 22.349 8.405 1.00 0.00 O ATOM 53 OD2 ASP A 4 -8.803 22.236 6.574 1.00 0.00 O ATOM 0 H ASP A 4 -5.901 22.027 11.118 1.00 0.00 H new ATOM 0 HA ASP A 4 -8.299 20.905 10.214 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.335 23.164 8.807 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.779 21.794 7.865 1.00 0.00 H new ATOM 57 N GLU A 5 -6.910 19.051 8.829 1.00 0.00 N ATOM 58 CA GLU A 5 -6.234 17.981 8.059 1.00 0.00 C ATOM 59 C GLU A 5 -5.553 18.432 6.752 1.00 0.00 C ATOM 60 O GLU A 5 -6.117 19.238 6.005 1.00 0.00 O ATOM 61 CB GLU A 5 -7.231 16.809 7.903 1.00 0.00 C ATOM 62 CG GLU A 5 -6.869 15.350 7.608 1.00 0.00 C ATOM 63 CD GLU A 5 -6.893 14.801 6.191 1.00 0.00 C ATOM 64 OE1 GLU A 5 -7.948 14.297 5.747 1.00 0.00 O ATOM 65 OE2 GLU A 5 -5.813 14.697 5.572 1.00 0.00 O ATOM 0 H GLU A 5 -7.920 18.930 8.752 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.366 17.642 8.624 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.807 16.788 8.828 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.915 17.109 7.109 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.863 15.188 7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.542 14.730 8.200 1.00 0.00 H new ATOM 70 N GLN A 6 -4.226 18.257 6.861 1.00 0.00 N ATOM 71 CA GLN A 6 -3.090 18.403 5.932 1.00 0.00 C ATOM 72 C GLN A 6 -2.403 17.099 5.486 1.00 0.00 C ATOM 73 O GLN A 6 -2.087 17.141 4.294 1.00 0.00 O ATOM 74 CB GLN A 6 -2.229 19.541 6.570 1.00 0.00 C ATOM 75 CG GLN A 6 -1.364 19.509 7.834 1.00 0.00 C ATOM 76 CD GLN A 6 -0.036 20.262 7.931 1.00 0.00 C ATOM 77 OE1 GLN A 6 0.023 21.445 8.281 1.00 0.00 O ATOM 78 NE2 GLN A 6 0.997 19.470 8.205 1.00 0.00 N ATOM 0 H GLN A 6 -3.865 17.956 7.766 1.00 0.00 H new ATOM 0 HA GLN A 6 -3.394 18.695 4.927 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -1.550 19.854 5.777 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -2.929 20.361 6.733 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.989 19.869 8.651 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -1.146 18.461 8.038 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.975 18.489 7.927 1.00 0.00 H new ATOM 0 HE22 GLN A 6 1.811 19.844 8.693 1.00 0.00 H new ATOM 85 N LEU A 7 -2.681 15.937 6.102 1.00 0.00 N ATOM 86 CA LEU A 7 -2.277 14.532 5.878 1.00 0.00 C ATOM 87 C LEU A 7 -2.582 13.859 4.514 1.00 0.00 C ATOM 88 O LEU A 7 -2.414 12.645 4.341 1.00 0.00 O ATOM 89 CB LEU A 7 -2.784 13.757 7.112 1.00 0.00 C ATOM 90 CG LEU A 7 -2.169 13.681 8.527 1.00 0.00 C ATOM 91 CD1 LEU A 7 -0.913 12.847 8.718 1.00 0.00 C ATOM 92 CD2 LEU A 7 -2.021 14.928 9.392 1.00 0.00 C ATOM 0 H LEU A 7 -3.303 15.969 6.910 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.192 14.513 5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.802 14.114 7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.856 12.721 6.782 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.045 13.150 8.899 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.602 12.891 9.762 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.118 11.812 8.444 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.116 13.239 8.085 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.568 14.658 10.346 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.386 15.652 8.881 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.003 15.367 9.568 1.00 0.00 H new ATOM 103 N ASN A 8 -3.081 14.640 3.545 1.00 0.00 N ATOM 104 CA ASN A 8 -2.963 14.660 2.072 1.00 0.00 C ATOM 105 C ASN A 8 -1.558 14.766 1.441 1.00 0.00 C ATOM 106 O ASN A 8 -1.320 13.987 0.513 1.00 0.00 O ATOM 107 CB ASN A 8 -3.980 15.719 1.593 1.00 0.00 C ATOM 108 CG ASN A 8 -4.867 15.414 0.373 1.00 0.00 C ATOM 109 OD1 ASN A 8 -4.602 14.642 -0.556 1.00 0.00 O ATOM 110 ND2 ASN A 8 -5.932 16.192 0.199 1.00 0.00 N ATOM 0 H ASN A 8 -3.686 15.411 3.829 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.194 13.663 1.698 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.641 15.941 2.431 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.425 16.631 1.374 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.475 16.129 -0.662 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.206 16.852 0.927 1.00 0.00 H new ATOM 116 N SER A 9 -0.592 15.510 2.011 1.00 0.00 N ATOM 117 CA SER A 9 0.868 15.434 1.824 1.00 0.00 C ATOM 118 C SER A 9 1.620 14.171 2.252 1.00 0.00 C ATOM 119 O SER A 9 2.549 13.856 1.502 1.00 0.00 O ATOM 120 CB SER A 9 1.687 16.586 2.413 1.00 0.00 C ATOM 121 OG SER A 9 2.004 17.684 1.575 1.00 0.00 O ATOM 0 H SER A 9 -0.836 16.246 2.674 1.00 0.00 H new ATOM 0 HA SER A 9 0.819 15.463 0.735 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.144 16.972 3.276 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.624 16.171 2.785 1.00 0.00 H new ATOM 0 HG SER A 9 2.526 18.342 2.081 1.00 0.00 H new ATOM 126 N LEU A 10 1.055 13.378 3.176 1.00 0.00 N ATOM 127 CA LEU A 10 1.247 11.949 3.411 1.00 0.00 C ATOM 128 C LEU A 10 0.518 11.045 2.409 1.00 0.00 C ATOM 129 O LEU A 10 1.293 10.318 1.795 1.00 0.00 O ATOM 130 CB LEU A 10 1.005 11.722 4.905 1.00 0.00 C ATOM 131 CG LEU A 10 0.920 10.368 5.630 1.00 0.00 C ATOM 132 CD1 LEU A 10 1.879 10.198 6.803 1.00 0.00 C ATOM 133 CD2 LEU A 10 -0.524 10.119 6.031 1.00 0.00 C ATOM 0 H LEU A 10 0.386 13.767 3.841 1.00 0.00 H new ATOM 0 HA LEU A 10 2.266 11.629 3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.795 12.275 5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.066 12.230 5.127 1.00 0.00 H new ATOM 0 HG LEU A 10 1.255 9.608 4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.741 9.212 7.246 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.906 10.297 6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.677 10.964 7.552 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.599 9.161 6.546 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.860 10.916 6.695 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.151 10.101 5.140 1.00 0.00 H new ATOM 144 N ALA A 11 -0.752 11.234 2.019 1.00 0.00 N ATOM 145 CA ALA A 11 -1.537 10.402 1.096 1.00 0.00 C ATOM 146 C ALA A 11 -1.139 10.267 -0.384 1.00 0.00 C ATOM 147 O ALA A 11 -1.456 9.247 -1.005 1.00 0.00 O ATOM 148 CB ALA A 11 -2.970 10.892 1.167 1.00 0.00 C ATOM 0 H ALA A 11 -1.294 12.026 2.364 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.345 9.392 1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.591 10.300 0.495 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.340 10.789 2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.011 11.940 0.870 1.00 0.00 H new ATOM 154 N ILE A 12 -0.165 11.106 -0.745 1.00 0.00 N ATOM 155 CA ILE A 12 0.806 11.046 -1.848 1.00 0.00 C ATOM 156 C ILE A 12 2.142 10.389 -1.450 1.00 0.00 C ATOM 157 O ILE A 12 2.148 9.203 -1.781 1.00 0.00 O ATOM 158 CB ILE A 12 0.682 12.363 -2.676 1.00 0.00 C ATOM 159 CG1 ILE A 12 -0.008 12.321 -4.060 1.00 0.00 C ATOM 160 CG2 ILE A 12 1.856 13.326 -2.836 1.00 0.00 C ATOM 161 CD1 ILE A 12 -1.513 12.409 -4.210 1.00 0.00 C ATOM 0 H ILE A 12 -0.018 11.956 -0.200 1.00 0.00 H new ATOM 0 HA ILE A 12 0.600 10.305 -2.620 1.00 0.00 H new ATOM 0 HB ILE A 12 0.020 12.758 -1.905 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.415 13.137 -4.647 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.302 11.391 -4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.550 14.174 -3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.171 13.682 -1.855 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.686 12.810 -3.319 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.777 12.360 -5.266 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.981 11.579 -3.680 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.866 13.351 -3.791 1.00 0.00 H new ATOM 172 N THR A 13 2.907 10.835 -0.440 1.00 0.00 N ATOM 173 CA THR A 13 4.199 10.338 0.091 1.00 0.00 C ATOM 174 C THR A 13 4.389 8.832 0.374 1.00 0.00 C ATOM 175 O THR A 13 5.030 8.156 -0.434 1.00 0.00 O ATOM 176 CB THR A 13 4.772 11.423 1.049 1.00 0.00 C ATOM 177 OG1 THR A 13 6.070 11.827 0.591 1.00 0.00 O ATOM 178 CG2 THR A 13 4.758 11.567 2.577 1.00 0.00 C ATOM 0 H THR A 13 2.602 11.651 0.091 1.00 0.00 H new ATOM 0 HA THR A 13 4.908 10.232 -0.730 1.00 0.00 H new ATOM 0 HB THR A 13 3.846 11.987 0.942 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.560 12.250 1.327 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.276 12.483 2.861 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.727 11.609 2.929 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.261 10.712 3.028 1.00 0.00 H new ATOM 186 N PHE A 14 3.517 8.359 1.266 1.00 0.00 N ATOM 187 CA PHE A 14 2.890 7.103 1.706 1.00 0.00 C ATOM 188 C PHE A 14 2.155 6.161 0.750 1.00 0.00 C ATOM 189 O PHE A 14 2.327 4.950 0.919 1.00 0.00 O ATOM 190 CB PHE A 14 2.246 7.452 3.065 1.00 0.00 C ATOM 191 CG PHE A 14 0.920 6.932 3.570 1.00 0.00 C ATOM 192 CD1 PHE A 14 -0.229 7.438 2.981 1.00 0.00 C ATOM 193 CD2 PHE A 14 0.778 5.886 4.475 1.00 0.00 C ATOM 194 CE1 PHE A 14 -1.455 6.822 3.168 1.00 0.00 C ATOM 195 CE2 PHE A 14 -0.451 5.278 4.689 1.00 0.00 C ATOM 196 CZ PHE A 14 -1.570 5.722 4.004 1.00 0.00 C ATOM 0 H PHE A 14 3.123 9.077 1.874 1.00 0.00 H new ATOM 0 HA PHE A 14 3.665 6.340 1.778 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.980 7.174 3.821 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.165 8.539 3.084 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.167 8.325 2.368 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.642 5.540 5.023 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.328 7.201 2.659 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.535 4.460 5.389 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.518 5.219 4.119 1.00 0.00 H new ATOM 205 N GLY A 15 1.554 6.768 -0.273 1.00 0.00 N ATOM 206 CA GLY A 15 0.535 6.276 -1.189 1.00 0.00 C ATOM 207 C GLY A 15 0.967 5.825 -2.577 1.00 0.00 C ATOM 208 O GLY A 15 0.082 5.237 -3.208 1.00 0.00 O ATOM 0 H GLY A 15 1.802 7.730 -0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.034 5.436 -0.708 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.209 7.063 -1.312 1.00 0.00 H new ATOM 212 N ILE A 16 2.121 6.298 -3.084 1.00 0.00 N ATOM 213 CA ILE A 16 3.050 5.561 -3.918 1.00 0.00 C ATOM 214 C ILE A 16 3.747 4.328 -3.297 1.00 0.00 C ATOM 215 O ILE A 16 3.761 3.322 -4.020 1.00 0.00 O ATOM 216 CB ILE A 16 3.907 6.408 -4.893 1.00 0.00 C ATOM 217 CG1 ILE A 16 4.762 7.653 -4.606 1.00 0.00 C ATOM 218 CG2 ILE A 16 3.454 6.343 -6.348 1.00 0.00 C ATOM 219 CD1 ILE A 16 4.087 8.935 -4.212 1.00 0.00 C ATOM 0 H ILE A 16 2.433 7.253 -2.906 1.00 0.00 H new ATOM 0 HA ILE A 16 2.350 5.064 -4.589 1.00 0.00 H new ATOM 0 HB ILE A 16 4.723 5.795 -4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.461 7.394 -3.811 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.355 7.856 -5.498 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.108 6.964 -6.961 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.500 5.312 -6.698 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.430 6.707 -6.427 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.839 9.707 -4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.411 9.250 -5.007 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.520 8.780 -3.294 1.00 0.00 H new ATOM 230 N VAL A 17 4.030 4.310 -1.968 1.00 0.00 N ATOM 231 CA VAL A 17 4.431 3.215 -1.074 1.00 0.00 C ATOM 232 C VAL A 17 3.290 2.250 -0.694 1.00 0.00 C ATOM 233 O VAL A 17 3.601 1.054 -0.696 1.00 0.00 O ATOM 234 CB VAL A 17 5.262 3.602 0.186 1.00 0.00 C ATOM 235 CG1 VAL A 17 6.601 2.897 0.310 1.00 0.00 C ATOM 236 CG2 VAL A 17 5.824 5.009 0.236 1.00 0.00 C ATOM 0 H VAL A 17 3.972 5.181 -1.440 1.00 0.00 H new ATOM 0 HA VAL A 17 5.127 2.682 -1.722 1.00 0.00 H new ATOM 0 HB VAL A 17 4.495 3.372 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.105 3.231 1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.442 1.820 0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.218 3.134 -0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.380 5.146 1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.490 5.165 -0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.007 5.729 0.193 1.00 0.00 H new ATOM 246 N MET A 18 2.028 2.701 -0.509 1.00 0.00 N ATOM 247 CA MET A 18 0.778 1.928 -0.453 1.00 0.00 C ATOM 248 C MET A 18 0.288 1.307 -1.770 1.00 0.00 C ATOM 249 O MET A 18 0.121 0.090 -1.676 1.00 0.00 O ATOM 250 CB MET A 18 -0.280 2.760 0.281 1.00 0.00 C ATOM 251 CG MET A 18 -1.220 2.233 1.364 1.00 0.00 C ATOM 252 SD MET A 18 -2.709 3.197 1.691 1.00 0.00 S ATOM 253 CE MET A 18 -3.321 2.332 3.135 1.00 0.00 C ATOM 0 H MET A 18 1.849 3.698 -0.386 1.00 0.00 H new ATOM 0 HA MET A 18 0.995 1.023 0.115 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.257 3.594 0.732 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.923 3.177 -0.495 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.523 1.223 1.088 1.00 0.00 H new ATOM 0 HG3 MET A 18 -0.656 2.154 2.293 1.00 0.00 H new ATOM 0 HE1 MET A 18 -4.245 2.799 3.474 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.513 1.290 2.880 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.577 2.380 3.930 1.00 0.00 H new ATOM 261 N MET A 19 0.430 1.942 -2.949 1.00 0.00 N ATOM 262 CA MET A 19 0.274 1.410 -4.305 1.00 0.00 C ATOM 263 C MET A 19 1.214 0.287 -4.757 1.00 0.00 C ATOM 264 O MET A 19 0.618 -0.716 -5.158 1.00 0.00 O ATOM 265 CB MET A 19 0.270 2.570 -5.327 1.00 0.00 C ATOM 266 CG MET A 19 -1.024 3.137 -5.914 1.00 0.00 C ATOM 267 SD MET A 19 -0.897 4.287 -7.309 1.00 0.00 S ATOM 268 CE MET A 19 -0.440 3.429 -8.818 1.00 0.00 C ATOM 0 H MET A 19 0.680 2.931 -2.972 1.00 0.00 H new ATOM 0 HA MET A 19 -0.688 0.899 -4.264 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.792 3.403 -4.857 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.881 2.247 -6.170 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.643 2.297 -6.230 1.00 0.00 H new ATOM 0 HG3 MET A 19 -1.560 3.644 -5.112 1.00 0.00 H new ATOM 0 HE1 MET A 19 -0.372 4.145 -9.637 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.525 2.941 -8.681 1.00 0.00 H new ATOM 0 HE3 MET A 19 -1.196 2.679 -9.053 1.00 0.00 H new ATOM 276 N THR A 20 2.421 0.234 -4.179 1.00 0.00 N ATOM 277 CA THR A 20 3.417 -0.832 -4.265 1.00 0.00 C ATOM 278 C THR A 20 3.265 -2.023 -3.307 1.00 0.00 C ATOM 279 O THR A 20 3.417 -3.123 -3.838 1.00 0.00 O ATOM 280 CB THR A 20 4.884 -0.347 -4.242 1.00 0.00 C ATOM 281 OG1 THR A 20 5.197 0.749 -3.366 1.00 0.00 O ATOM 282 CG2 THR A 20 5.477 -0.059 -5.621 1.00 0.00 C ATOM 0 H THR A 20 2.749 1.001 -3.592 1.00 0.00 H new ATOM 0 HA THR A 20 3.177 -1.213 -5.257 1.00 0.00 H new ATOM 0 HB THR A 20 5.360 -1.230 -3.816 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.683 1.539 -3.634 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.508 0.276 -5.511 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.453 -0.966 -6.224 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.893 0.719 -6.113 1.00 0.00 H new ATOM 290 N LEU A 21 2.728 -1.852 -2.090 1.00 0.00 N ATOM 291 CA LEU A 21 2.167 -2.834 -1.141 1.00 0.00 C ATOM 292 C LEU A 21 0.799 -3.439 -1.509 1.00 0.00 C ATOM 293 O LEU A 21 0.882 -4.662 -1.615 1.00 0.00 O ATOM 294 CB LEU A 21 2.276 -2.491 0.360 1.00 0.00 C ATOM 295 CG LEU A 21 3.324 -3.076 1.322 1.00 0.00 C ATOM 296 CD1 LEU A 21 3.212 -2.338 2.647 1.00 0.00 C ATOM 297 CD2 LEU A 21 3.210 -4.538 1.718 1.00 0.00 C ATOM 0 H LEU A 21 2.668 -0.912 -1.698 1.00 0.00 H new ATOM 0 HA LEU A 21 2.882 -3.643 -1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.392 -1.408 0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.305 -2.729 0.793 1.00 0.00 H new ATOM 0 HG LEU A 21 4.250 -2.968 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.946 -2.735 3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.399 -1.276 2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.210 -2.473 3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.022 -4.795 2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.254 -4.707 2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.273 -5.162 0.827 1.00 0.00 H new ATOM 308 N ILE A 22 -0.174 -2.732 -2.120 1.00 0.00 N ATOM 309 CA ILE A 22 -1.480 -3.147 -2.671 1.00 0.00 C ATOM 310 C ILE A 22 -1.502 -4.108 -3.865 1.00 0.00 C ATOM 311 O ILE A 22 -2.246 -5.093 -3.835 1.00 0.00 O ATOM 312 CB ILE A 22 -2.613 -2.104 -2.666 1.00 0.00 C ATOM 313 CG1 ILE A 22 -4.045 -2.552 -2.935 1.00 0.00 C ATOM 314 CG2 ILE A 22 -2.434 -0.772 -3.331 1.00 0.00 C ATOM 315 CD1 ILE A 22 -4.979 -2.892 -1.801 1.00 0.00 C ATOM 0 H ILE A 22 -0.045 -1.729 -2.255 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.752 -3.818 -1.856 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.468 -1.962 -1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.522 -1.763 -3.516 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.989 -3.431 -3.577 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.344 -0.183 -3.217 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.600 -0.244 -2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.228 -0.919 -4.391 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.948 -3.187 -2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.562 -3.715 -1.220 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.103 -2.020 -1.158 1.00 0.00 H new ATOM 326 N VAL A 23 -0.622 -3.819 -4.833 1.00 0.00 N ATOM 327 CA VAL A 23 -0.238 -4.475 -6.075 1.00 0.00 C ATOM 328 C VAL A 23 0.706 -5.657 -5.780 1.00 0.00 C ATOM 329 O VAL A 23 0.586 -6.646 -6.510 1.00 0.00 O ATOM 330 CB VAL A 23 0.253 -3.333 -6.998 1.00 0.00 C ATOM 331 CG1 VAL A 23 0.739 -3.889 -8.330 1.00 0.00 C ATOM 332 CG2 VAL A 23 -0.795 -2.395 -7.592 1.00 0.00 C ATOM 0 H VAL A 23 -0.072 -2.966 -4.733 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.039 -4.981 -6.614 1.00 0.00 H new ATOM 0 HB VAL A 23 0.948 -2.837 -6.320 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.080 -3.070 -8.964 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.563 -4.581 -8.157 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.078 -4.415 -8.825 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.303 -1.648 -8.215 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.495 -2.969 -8.198 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.336 -1.897 -6.787 1.00 0.00 H new ATOM 342 N ILE A 24 1.345 -5.652 -4.590 1.00 0.00 N ATOM 343 CA ILE A 24 2.083 -6.726 -3.921 1.00 0.00 C ATOM 344 C ILE A 24 1.326 -7.755 -3.059 1.00 0.00 C ATOM 345 O ILE A 24 1.500 -8.958 -3.281 1.00 0.00 O ATOM 346 CB ILE A 24 3.527 -6.228 -3.625 1.00 0.00 C ATOM 347 CG1 ILE A 24 4.760 -6.545 -4.481 1.00 0.00 C ATOM 348 CG2 ILE A 24 4.047 -6.449 -2.220 1.00 0.00 C ATOM 349 CD1 ILE A 24 4.858 -5.832 -5.802 1.00 0.00 C ATOM 0 H ILE A 24 1.353 -4.805 -4.022 1.00 0.00 H new ATOM 0 HA ILE A 24 2.232 -7.586 -4.574 1.00 0.00 H new ATOM 0 HB ILE A 24 3.200 -5.223 -3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.650 -6.309 -3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.778 -7.618 -4.670 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.062 -6.059 -2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.404 -5.932 -1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.050 -7.516 -1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.770 -6.138 -6.314 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.994 -6.085 -6.417 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.880 -4.755 -5.634 1.00 0.00 H new ATOM 360 N TYR A 25 0.351 -7.237 -2.302 1.00 0.00 N ATOM 361 CA TYR A 25 -0.834 -7.800 -1.634 1.00 0.00 C ATOM 362 C TYR A 25 -1.842 -8.552 -2.520 1.00 0.00 C ATOM 363 O TYR A 25 -1.844 -9.761 -2.279 1.00 0.00 O ATOM 364 CB TYR A 25 -1.288 -6.837 -0.520 1.00 0.00 C ATOM 365 CG TYR A 25 -0.890 -6.979 0.950 1.00 0.00 C ATOM 366 CD1 TYR A 25 0.404 -7.230 1.406 1.00 0.00 C ATOM 367 CD2 TYR A 25 -1.839 -6.712 1.938 1.00 0.00 C ATOM 368 CE1 TYR A 25 0.700 -7.227 2.771 1.00 0.00 C ATOM 369 CE2 TYR A 25 -1.550 -6.682 3.296 1.00 0.00 C ATOM 370 CZ TYR A 25 -0.262 -6.930 3.729 1.00 0.00 C ATOM 371 OH TYR A 25 -0.005 -6.934 5.087 1.00 0.00 O ATOM 0 H TYR A 25 0.384 -6.235 -2.112 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.579 -8.712 -1.094 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.965 -5.842 -0.828 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.378 -6.839 -0.542 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.190 -7.430 0.692 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.855 -6.518 1.629 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.704 -7.462 3.091 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.330 -6.465 4.011 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.821 -6.696 5.575 1.00 0.00 H new ATOM 380 N HIS A 26 -2.033 -8.103 -3.769 1.00 0.00 N ATOM 381 CA HIS A 26 -2.603 -8.799 -4.932 1.00 0.00 C ATOM 382 C HIS A 26 -1.832 -9.920 -5.642 1.00 0.00 C ATOM 383 O HIS A 26 -2.420 -10.613 -6.481 1.00 0.00 O ATOM 384 CB HIS A 26 -3.141 -7.694 -5.864 1.00 0.00 C ATOM 385 CG HIS A 26 -3.886 -7.794 -7.167 1.00 0.00 C ATOM 386 ND1 HIS A 26 -5.200 -8.148 -7.381 1.00 0.00 N ATOM 387 CD2 HIS A 26 -3.262 -8.042 -8.333 1.00 0.00 C ATOM 388 CE1 HIS A 26 -5.324 -8.734 -8.561 1.00 0.00 C ATOM 389 NE2 HIS A 26 -4.143 -8.713 -9.152 1.00 0.00 N ATOM 0 H HIS A 26 -1.766 -7.150 -4.014 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.378 -9.456 -4.537 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.788 -7.092 -5.226 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.267 -7.085 -6.097 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.249 -7.764 -8.583 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -6.231 -9.155 -8.969 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -3.921 -9.123 -10.059 1.00 0.00 H new ATOM 397 N ALA A 27 -0.552 -10.060 -5.277 1.00 0.00 N ATOM 398 CA ALA A 27 0.345 -11.184 -5.566 1.00 0.00 C ATOM 399 C ALA A 27 0.590 -12.192 -4.432 1.00 0.00 C ATOM 400 O ALA A 27 0.633 -13.372 -4.789 1.00 0.00 O ATOM 401 CB ALA A 27 1.598 -10.575 -6.183 1.00 0.00 C ATOM 0 H ALA A 27 -0.082 -9.337 -4.732 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.145 -11.859 -6.267 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.308 -11.367 -6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.332 -10.040 -7.095 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.052 -9.882 -5.475 1.00 0.00 H new ATOM 407 N VAL A 28 0.358 -11.811 -3.165 1.00 0.00 N ATOM 408 CA VAL A 28 0.486 -12.582 -1.925 1.00 0.00 C ATOM 409 C VAL A 28 -0.802 -13.232 -1.389 1.00 0.00 C ATOM 410 O VAL A 28 -0.768 -14.461 -1.310 1.00 0.00 O ATOM 411 CB VAL A 28 1.467 -11.956 -0.893 1.00 0.00 C ATOM 412 CG1 VAL A 28 2.633 -11.151 -1.430 1.00 0.00 C ATOM 413 CG2 VAL A 28 1.163 -11.350 0.473 1.00 0.00 C ATOM 0 H VAL A 28 0.045 -10.860 -2.968 1.00 0.00 H new ATOM 0 HA VAL A 28 1.012 -13.489 -2.222 1.00 0.00 H new ATOM 0 HB VAL A 28 1.588 -13.011 -0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.230 -10.777 -0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.252 -11.786 -2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.257 -10.311 -2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.089 -11.004 0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.480 -10.509 0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.702 -12.104 1.111 1.00 0.00 H new ATOM 423 N ASP A 29 -1.879 -12.464 -1.152 1.00 0.00 N ATOM 424 CA ASP A 29 -3.287 -12.724 -0.804 1.00 0.00 C ATOM 425 C ASP A 29 -4.124 -13.616 -1.752 1.00 0.00 C ATOM 426 O ASP A 29 -5.017 -14.330 -1.285 1.00 0.00 O ATOM 427 CB ASP A 29 -3.832 -11.306 -0.532 1.00 0.00 C ATOM 428 CG ASP A 29 -4.737 -11.128 0.691 1.00 0.00 C ATOM 429 OD1 ASP A 29 -4.245 -11.084 1.842 1.00 0.00 O ATOM 430 OD2 ASP A 29 -5.973 -11.001 0.546 1.00 0.00 O ATOM 0 H ASP A 29 -1.751 -11.454 -1.214 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.366 -13.388 0.057 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.982 -10.632 -0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.386 -10.982 -1.413 1.00 0.00 H new ATOM 434 N SER A 30 -3.768 -13.620 -3.048 1.00 0.00 N ATOM 435 CA SER A 30 -3.935 -14.553 -4.180 1.00 0.00 C ATOM 436 C SER A 30 -3.281 -15.953 -4.169 1.00 0.00 C ATOM 437 O SER A 30 -2.505 -16.219 -3.249 1.00 0.00 O ATOM 438 CB SER A 30 -3.562 -13.633 -5.358 1.00 0.00 C ATOM 439 OG SER A 30 -2.466 -13.942 -6.207 1.00 0.00 O ATOM 0 H SER A 30 -3.256 -12.806 -3.387 1.00 0.00 H new ATOM 0 HA SER A 30 -4.942 -14.971 -4.192 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.445 -13.552 -5.992 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.376 -12.642 -4.943 1.00 0.00 H new ATOM 0 HG SER A 30 -2.381 -13.250 -6.896 1.00 0.00 H new ATOM 444 N THR A 31 -3.567 -16.834 -5.149 1.00 0.00 N ATOM 445 CA THR A 31 -3.106 -18.218 -5.379 1.00 0.00 C ATOM 446 C THR A 31 -1.653 -18.270 -5.902 1.00 0.00 C ATOM 447 O THR A 31 -1.399 -17.849 -7.035 1.00 0.00 O ATOM 448 CB THR A 31 -4.259 -18.961 -6.125 1.00 0.00 C ATOM 449 OG1 THR A 31 -5.470 -18.955 -5.351 1.00 0.00 O ATOM 450 CG2 THR A 31 -4.205 -20.435 -6.523 1.00 0.00 C ATOM 0 H THR A 31 -4.208 -16.555 -5.892 1.00 0.00 H new ATOM 0 HA THR A 31 -2.955 -18.805 -4.473 1.00 0.00 H new ATOM 0 HB THR A 31 -4.176 -18.374 -7.040 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.235 -19.125 -5.939 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.130 -20.709 -7.029 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.362 -20.600 -7.194 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.084 -21.049 -5.630 1.00 0.00 H new ATOM 458 N MET A 32 -0.783 -18.187 -4.877 1.00 0.00 N ATOM 459 CA MET A 32 0.675 -18.359 -4.712 1.00 0.00 C ATOM 460 C MET A 32 1.043 -19.313 -3.551 1.00 0.00 C ATOM 461 O MET A 32 0.150 -20.057 -3.139 1.00 0.00 O ATOM 462 CB MET A 32 1.324 -16.978 -4.507 1.00 0.00 C ATOM 463 CG MET A 32 2.169 -16.397 -5.637 1.00 0.00 C ATOM 464 SD MET A 32 3.955 -16.468 -5.371 1.00 0.00 S ATOM 465 CE MET A 32 4.566 -17.855 -6.330 1.00 0.00 C ATOM 0 H MET A 32 -1.172 -17.949 -3.965 1.00 0.00 H new ATOM 0 HA MET A 32 1.060 -18.825 -5.619 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.528 -16.266 -4.289 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.953 -17.036 -3.618 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.933 -16.930 -6.558 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.881 -15.357 -5.788 1.00 0.00 H new ATOM 0 HE1 MET A 32 5.645 -17.939 -6.201 1.00 0.00 H new ATOM 0 HE2 MET A 32 4.087 -18.773 -5.988 1.00 0.00 H new ATOM 0 HE3 MET A 32 4.338 -17.697 -7.384 1.00 0.00 H new ATOM 473 N SER A 33 2.328 -19.597 -3.263 1.00 0.00 N ATOM 474 CA SER A 33 2.975 -20.023 -2.001 1.00 0.00 C ATOM 475 C SER A 33 2.784 -19.205 -0.700 1.00 0.00 C ATOM 476 O SER A 33 2.866 -17.986 -0.847 1.00 0.00 O ATOM 477 CB SER A 33 4.456 -20.308 -2.330 1.00 0.00 C ATOM 478 OG SER A 33 4.701 -21.538 -2.997 1.00 0.00 O ATOM 0 H SER A 33 3.027 -19.525 -4.002 1.00 0.00 H new ATOM 0 HA SER A 33 2.417 -20.905 -1.686 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.837 -19.495 -2.948 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.027 -20.297 -1.401 1.00 0.00 H new ATOM 0 HG SER A 33 5.662 -21.633 -3.166 1.00 0.00 H new ATOM 483 N PRO A 34 2.215 -19.684 0.448 1.00 0.00 N ATOM 484 CA PRO A 34 2.243 -19.018 1.778 1.00 0.00 C ATOM 485 C PRO A 34 3.471 -18.987 2.713 1.00 0.00 C ATOM 486 O PRO A 34 4.130 -20.013 2.914 1.00 0.00 O ATOM 487 CB PRO A 34 0.971 -19.499 2.500 1.00 0.00 C ATOM 488 CG PRO A 34 0.150 -20.351 1.611 1.00 0.00 C ATOM 489 CD PRO A 34 0.996 -20.524 0.379 1.00 0.00 C ATOM 0 HA PRO A 34 2.314 -17.961 1.520 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.245 -20.058 3.395 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.387 -18.639 2.828 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.076 -21.310 2.077 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.804 -19.878 1.376 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.278 -21.571 0.271 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.416 -20.257 -0.505 1.00 0.00 H new ATOM 494 N LYS A 35 3.769 -17.748 3.158 1.00 0.00 N ATOM 495 CA LYS A 35 4.877 -17.184 3.952 1.00 0.00 C ATOM 496 C LYS A 35 4.522 -16.689 5.369 1.00 0.00 C ATOM 497 O LYS A 35 5.185 -17.231 6.261 1.00 0.00 O ATOM 498 CB LYS A 35 5.852 -16.272 3.169 1.00 0.00 C ATOM 499 CG LYS A 35 5.659 -14.957 2.411 1.00 0.00 C ATOM 500 CD LYS A 35 5.963 -13.633 3.119 1.00 0.00 C ATOM 501 CE LYS A 35 4.865 -12.566 3.088 1.00 0.00 C ATOM 502 NZ LYS A 35 5.145 -11.282 3.793 1.00 0.00 N ATOM 0 H LYS A 35 3.122 -16.995 2.925 1.00 0.00 H new ATOM 0 HA LYS A 35 5.469 -18.074 4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.633 -16.042 3.894 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.292 -16.938 2.427 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.280 -15.000 1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.622 -14.920 2.078 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.196 -13.851 4.161 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.862 -13.208 2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.644 -12.338 2.045 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.961 -12.998 3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.326 -10.648 3.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.321 -11.470 4.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.983 -10.831 3.373 1.00 0.00 H new ATOM 512 N ASN A 36 3.365 -16.022 5.584 1.00 0.00 N ATOM 513 CA ASN A 36 2.930 -15.280 6.779 1.00 0.00 C ATOM 514 C ASN A 36 2.153 -16.307 7.635 1.00 0.00 C ATOM 515 O ASN A 36 1.165 -16.897 7.134 1.00 0.00 O ATOM 516 CB ASN A 36 1.913 -14.105 6.718 1.00 0.00 C ATOM 517 CG ASN A 36 1.832 -12.919 7.643 1.00 0.00 C ATOM 518 OD1 ASN A 36 0.657 -12.623 7.855 1.00 0.00 O ATOM 519 ND2 ASN A 36 2.775 -11.989 7.738 1.00 0.00 N ATOM 520 OXT ASN A 36 2.378 -16.485 8.852 1.00 0.00 O ATOM 0 H ASN A 36 2.651 -15.989 4.857 1.00 0.00 H new ATOM 0 HA ASN A 36 3.869 -14.830 7.103 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.020 -13.684 5.718 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.930 -14.573 6.763 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.524 -11.032 7.986 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.750 -12.232 7.563 1.00 0.00 H new TER 526 ASN A 36