USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 ASN : amide:sc= -0.0873 K(o=-1,f=-1.7) USER MOD Set 1.2: A 43 ASN : amide:sc= -0.932 K(o=-1,f=-2.3!) USER MOD Set 2.1: A 12 SER OG : rot 166:sc= 0.0918 USER MOD Set 2.2: A 15 HIS : no HD1:sc= -3.93! C(o=-3.8!,f=-4.2!) USER MOD Single : A 3 GLN : amide:sc= -0.013 X(o=-0.013,f=-0.51) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 103:sc= 1.15 USER MOD Single : A 24 GLN :FLIP amide:sc= -1.43 F(o=-2.4!,f=-1.4) USER MOD Single : A 25 THR OG1 : rot 120:sc= -0.151 USER MOD Single : A 27 SER OG : rot -101:sc= 1.2 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.39 USER MOD Single : A 37 TYR OH : rot 180:sc= -1.43 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 40 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0737) USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.00111 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -165:sc= 0 (180deg=-0.309) USER MOD Single : A 52 SER OG : rot -4:sc= -0.717 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 6:sc= 1.01 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0253 X(o=-0.025,f=0) USER MOD Single : A 75 ASN : amide:sc= -5.58 K(o=-5.6,f=-19!) USER MOD Single : A 80 THR OG1 : rot 113:sc= 0.222 USER MOD Single : A 81 MET CE :methyl -125:sc= -0.359 (180deg=-1.85) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -51:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 3 8.512 -0.306 8.569 1.00 0.00 N ATOM 12 CA GLN A 3 7.074 -0.054 8.250 1.00 0.00 C ATOM 13 C GLN A 3 6.829 1.455 8.196 1.00 0.00 C ATOM 14 O GLN A 3 7.733 2.245 8.393 1.00 0.00 O ATOM 15 CB GLN A 3 6.188 -0.679 9.333 1.00 0.00 C ATOM 16 CG GLN A 3 6.619 -0.162 10.707 1.00 0.00 C ATOM 17 CD GLN A 3 5.393 -0.035 11.613 1.00 0.00 C ATOM 18 OE1 GLN A 3 4.448 -0.788 11.485 1.00 0.00 O ATOM 19 NE2 GLN A 3 5.370 0.892 12.531 1.00 0.00 N ATOM 0 HA GLN A 3 6.830 -0.501 7.286 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.143 -0.430 9.151 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.267 -1.766 9.300 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.344 -0.843 11.152 1.00 0.00 H new ATOM 0 HG3 GLN A 3 7.111 0.805 10.605 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.164 1.524 12.638 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.558 0.985 13.142 1.00 0.00 H new ATOM 28 N LYS A 4 5.611 1.859 7.936 1.00 0.00 N ATOM 29 CA LYS A 4 5.298 3.316 7.870 1.00 0.00 C ATOM 30 C LYS A 4 3.788 3.505 7.713 1.00 0.00 C ATOM 31 O LYS A 4 3.075 2.587 7.356 1.00 0.00 O ATOM 32 CB LYS A 4 6.018 3.942 6.672 1.00 0.00 C ATOM 33 CG LYS A 4 5.842 5.462 6.706 1.00 0.00 C ATOM 34 CD LYS A 4 7.038 6.134 6.026 1.00 0.00 C ATOM 35 CE LYS A 4 8.066 6.542 7.083 1.00 0.00 C ATOM 36 NZ LYS A 4 9.292 7.060 6.411 1.00 0.00 N ATOM 0 H LYS A 4 4.819 1.239 7.766 1.00 0.00 H new ATOM 0 HA LYS A 4 5.633 3.801 8.787 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.078 3.688 6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.616 3.540 5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.918 5.742 6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.757 5.805 7.737 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.492 5.451 5.307 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.707 7.010 5.468 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.647 7.306 7.737 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.316 5.687 7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.991 7.337 7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.695 6.318 5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.046 7.887 5.830 1.00 0.00 H new ATOM 50 N THR A 5 3.299 4.690 7.977 1.00 0.00 N ATOM 51 CA THR A 5 1.835 4.948 7.846 1.00 0.00 C ATOM 52 C THR A 5 1.605 6.046 6.805 1.00 0.00 C ATOM 53 O THR A 5 2.248 7.080 6.831 1.00 0.00 O ATOM 54 CB THR A 5 1.275 5.398 9.197 1.00 0.00 C ATOM 55 OG1 THR A 5 1.653 4.463 10.199 1.00 0.00 O ATOM 56 CG2 THR A 5 -0.251 5.476 9.121 1.00 0.00 C ATOM 0 H THR A 5 3.853 5.492 8.278 1.00 0.00 H new ATOM 0 HA THR A 5 1.329 4.036 7.530 1.00 0.00 H new ATOM 0 HB THR A 5 1.674 6.381 9.446 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.297 4.750 11.066 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.647 5.797 10.084 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.541 6.193 8.353 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.654 4.494 8.872 1.00 0.00 H new ATOM 64 N PHE A 6 0.694 5.829 5.890 1.00 0.00 N ATOM 65 CA PHE A 6 0.416 6.856 4.843 1.00 0.00 C ATOM 66 C PHE A 6 -1.033 7.330 4.960 1.00 0.00 C ATOM 67 O PHE A 6 -1.867 6.666 5.547 1.00 0.00 O ATOM 68 CB PHE A 6 0.641 6.246 3.457 1.00 0.00 C ATOM 69 CG PHE A 6 2.116 6.002 3.247 1.00 0.00 C ATOM 70 CD1 PHE A 6 2.729 4.887 3.828 1.00 0.00 C ATOM 71 CD2 PHE A 6 2.869 6.891 2.470 1.00 0.00 C ATOM 72 CE1 PHE A 6 4.096 4.659 3.633 1.00 0.00 C ATOM 73 CE2 PHE A 6 4.237 6.663 2.275 1.00 0.00 C ATOM 74 CZ PHE A 6 4.850 5.547 2.857 1.00 0.00 C ATOM 0 H PHE A 6 0.130 4.982 5.824 1.00 0.00 H new ATOM 0 HA PHE A 6 1.087 7.704 4.982 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.090 5.310 3.366 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.259 6.916 2.687 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.147 4.202 4.427 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.395 7.752 2.022 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.569 3.798 4.081 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.819 7.348 1.676 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.905 5.371 2.707 1.00 0.00 H new ATOM 84 N LYS A 7 -1.335 8.474 4.402 1.00 0.00 N ATOM 85 CA LYS A 7 -2.727 9.004 4.471 1.00 0.00 C ATOM 86 C LYS A 7 -3.311 9.061 3.056 1.00 0.00 C ATOM 87 O LYS A 7 -2.868 9.831 2.224 1.00 0.00 O ATOM 88 CB LYS A 7 -2.705 10.413 5.086 1.00 0.00 C ATOM 89 CG LYS A 7 -3.586 10.450 6.340 1.00 0.00 C ATOM 90 CD LYS A 7 -5.064 10.515 5.936 1.00 0.00 C ATOM 91 CE LYS A 7 -5.586 11.945 6.103 1.00 0.00 C ATOM 92 NZ LYS A 7 -5.983 12.164 7.522 1.00 0.00 N ATOM 0 H LYS A 7 -0.673 9.066 3.900 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.343 8.353 5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.683 10.692 5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.062 11.142 4.359 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.405 9.564 6.949 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.328 11.315 6.951 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.182 10.194 4.901 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.649 9.831 6.551 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.816 12.661 5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.439 12.112 5.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.338 13.135 7.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.730 11.489 7.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.158 12.021 8.139 1.00 0.00 H new ATOM 106 N VAL A 8 -4.300 8.247 2.783 1.00 0.00 N ATOM 107 CA VAL A 8 -4.921 8.245 1.425 1.00 0.00 C ATOM 108 C VAL A 8 -5.984 9.343 1.359 1.00 0.00 C ATOM 109 O VAL A 8 -6.982 9.292 2.054 1.00 0.00 O ATOM 110 CB VAL A 8 -5.577 6.885 1.158 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.005 6.801 -0.311 1.00 0.00 C ATOM 112 CG2 VAL A 8 -4.578 5.762 1.460 1.00 0.00 C ATOM 0 H VAL A 8 -4.704 7.583 3.444 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.153 8.427 0.673 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.451 6.776 1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.471 5.834 -0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.718 7.596 -0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.130 6.913 -0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.047 4.797 1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.702 5.872 0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.273 5.817 2.505 1.00 0.00 H new ATOM 122 N THR A 9 -5.773 10.336 0.533 1.00 0.00 N ATOM 123 CA THR A 9 -6.764 11.448 0.418 1.00 0.00 C ATOM 124 C THR A 9 -7.470 11.378 -0.940 1.00 0.00 C ATOM 125 O THR A 9 -7.937 12.377 -1.454 1.00 0.00 O ATOM 126 CB THR A 9 -6.035 12.784 0.530 1.00 0.00 C ATOM 127 OG1 THR A 9 -5.199 12.772 1.679 1.00 0.00 O ATOM 128 CG2 THR A 9 -7.056 13.916 0.649 1.00 0.00 C ATOM 0 H THR A 9 -4.954 10.425 -0.069 1.00 0.00 H new ATOM 0 HA THR A 9 -7.501 11.355 1.216 1.00 0.00 H new ATOM 0 HB THR A 9 -5.425 12.941 -0.360 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.729 13.629 1.751 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.534 14.870 0.729 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.694 13.925 -0.234 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.668 13.762 1.538 1.00 0.00 H new ATOM 136 N ALA A 10 -7.550 10.208 -1.521 1.00 0.00 N ATOM 137 CA ALA A 10 -8.224 10.062 -2.846 1.00 0.00 C ATOM 138 C ALA A 10 -9.679 10.532 -2.740 1.00 0.00 C ATOM 139 O ALA A 10 -10.267 10.519 -1.675 1.00 0.00 O ATOM 140 CB ALA A 10 -8.195 8.592 -3.271 1.00 0.00 C ATOM 0 H ALA A 10 -7.175 9.343 -1.132 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.702 10.668 -3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.686 8.483 -4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.161 8.256 -3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.717 7.988 -2.529 1.00 0.00 H new ATOM 146 N ASP A 11 -10.258 10.950 -3.837 1.00 0.00 N ATOM 147 CA ASP A 11 -11.671 11.428 -3.809 1.00 0.00 C ATOM 148 C ASP A 11 -12.615 10.250 -3.546 1.00 0.00 C ATOM 149 O ASP A 11 -13.692 10.419 -3.005 1.00 0.00 O ATOM 150 CB ASP A 11 -12.018 12.078 -5.152 1.00 0.00 C ATOM 151 CG ASP A 11 -11.778 11.080 -6.288 1.00 0.00 C ATOM 152 OD1 ASP A 11 -12.661 10.279 -6.543 1.00 0.00 O ATOM 153 OD2 ASP A 11 -10.714 11.134 -6.884 1.00 0.00 O ATOM 0 H ASP A 11 -9.810 10.980 -4.753 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.786 12.161 -3.011 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -13.059 12.400 -5.152 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.409 12.969 -5.304 1.00 0.00 H new ATOM 158 N SER A 12 -12.221 9.060 -3.927 1.00 0.00 N ATOM 159 CA SER A 12 -13.094 7.870 -3.704 1.00 0.00 C ATOM 160 C SER A 12 -12.570 7.063 -2.514 1.00 0.00 C ATOM 161 O SER A 12 -13.320 6.672 -1.640 1.00 0.00 O ATOM 162 CB SER A 12 -13.091 6.993 -4.956 1.00 0.00 C ATOM 163 OG SER A 12 -11.760 6.579 -5.235 1.00 0.00 O ATOM 0 H SER A 12 -11.330 8.863 -4.384 1.00 0.00 H new ATOM 0 HA SER A 12 -14.111 8.202 -3.495 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.731 6.123 -4.807 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.497 7.546 -5.803 1.00 0.00 H new ATOM 0 HG SER A 12 -11.775 5.848 -5.888 1.00 0.00 H new ATOM 169 N GLY A 13 -11.286 6.809 -2.479 1.00 0.00 N ATOM 170 CA GLY A 13 -10.700 6.026 -1.358 1.00 0.00 C ATOM 171 C GLY A 13 -9.656 5.059 -1.914 1.00 0.00 C ATOM 172 O GLY A 13 -8.862 5.416 -2.763 1.00 0.00 O ATOM 0 H GLY A 13 -10.617 7.114 -3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.242 6.696 -0.631 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.482 5.475 -0.835 1.00 0.00 H new ATOM 176 N ILE A 14 -9.653 3.838 -1.445 1.00 0.00 N ATOM 177 CA ILE A 14 -8.663 2.845 -1.949 1.00 0.00 C ATOM 178 C ILE A 14 -9.400 1.734 -2.699 1.00 0.00 C ATOM 179 O ILE A 14 -10.177 0.994 -2.126 1.00 0.00 O ATOM 180 CB ILE A 14 -7.884 2.252 -0.773 1.00 0.00 C ATOM 181 CG1 ILE A 14 -7.254 3.386 0.043 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.781 1.333 -1.302 1.00 0.00 C ATOM 183 CD1 ILE A 14 -7.015 2.917 1.481 1.00 0.00 C ATOM 0 H ILE A 14 -10.295 3.487 -0.734 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.964 3.336 -2.626 1.00 0.00 H new ATOM 0 HB ILE A 14 -8.562 1.679 -0.140 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.312 3.693 -0.411 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.909 4.257 0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.226 0.911 -0.464 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.227 0.527 -1.885 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.103 1.906 -1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.567 3.726 2.058 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -7.965 2.632 1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.343 2.059 1.477 1.00 0.00 H new ATOM 195 N HIS A 15 -9.163 1.621 -3.979 1.00 0.00 N ATOM 196 CA HIS A 15 -9.849 0.567 -4.790 1.00 0.00 C ATOM 197 C HIS A 15 -8.796 -0.223 -5.583 1.00 0.00 C ATOM 198 O HIS A 15 -7.615 -0.138 -5.305 1.00 0.00 O ATOM 199 CB HIS A 15 -10.894 1.206 -5.741 1.00 0.00 C ATOM 200 CG HIS A 15 -10.460 2.574 -6.219 1.00 0.00 C ATOM 201 ND1 HIS A 15 -10.308 2.870 -7.564 1.00 0.00 N ATOM 202 CD2 HIS A 15 -10.174 3.738 -5.547 1.00 0.00 C ATOM 203 CE1 HIS A 15 -9.946 4.163 -7.657 1.00 0.00 C ATOM 204 NE2 HIS A 15 -9.850 4.739 -6.457 1.00 0.00 N ATOM 0 H HIS A 15 -8.521 2.216 -4.502 1.00 0.00 H new ATOM 0 HA HIS A 15 -10.380 -0.114 -4.126 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.049 0.554 -6.600 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.851 1.288 -5.226 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.197 3.858 -4.474 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.756 4.673 -8.590 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -9.594 5.705 -6.251 1.00 0.00 H new ATOM 212 N ALA A 16 -9.213 -1.016 -6.542 1.00 0.00 N ATOM 213 CA ALA A 16 -8.238 -1.832 -7.328 1.00 0.00 C ATOM 214 C ALA A 16 -7.333 -0.937 -8.187 1.00 0.00 C ATOM 215 O ALA A 16 -6.280 -1.364 -8.620 1.00 0.00 O ATOM 216 CB ALA A 16 -9.005 -2.792 -8.239 1.00 0.00 C ATOM 0 H ALA A 16 -10.189 -1.132 -6.813 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.612 -2.388 -6.630 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.298 -3.390 -8.815 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.627 -3.450 -7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.637 -2.221 -8.920 1.00 0.00 H new ATOM 222 N ARG A 17 -7.725 0.288 -8.448 1.00 0.00 N ATOM 223 CA ARG A 17 -6.870 1.181 -9.292 1.00 0.00 C ATOM 224 C ARG A 17 -5.539 1.472 -8.569 1.00 0.00 C ATOM 225 O ARG A 17 -4.489 1.132 -9.084 1.00 0.00 O ATOM 226 CB ARG A 17 -7.608 2.491 -9.583 1.00 0.00 C ATOM 227 CG ARG A 17 -8.262 2.421 -10.966 1.00 0.00 C ATOM 228 CD ARG A 17 -8.219 3.802 -11.624 1.00 0.00 C ATOM 229 NE ARG A 17 -7.965 3.647 -13.084 1.00 0.00 N ATOM 230 CZ ARG A 17 -8.890 3.149 -13.858 1.00 0.00 C ATOM 231 NH1 ARG A 17 -9.807 3.928 -14.363 1.00 0.00 N ATOM 232 NH2 ARG A 17 -8.899 1.871 -14.125 1.00 0.00 N ATOM 0 H ARG A 17 -8.594 0.705 -8.115 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.657 0.680 -10.236 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.366 2.669 -8.821 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.912 3.328 -9.542 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.742 1.694 -11.589 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.294 2.082 -10.875 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.162 4.324 -11.461 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.436 4.409 -11.170 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.068 3.930 -13.478 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.801 4.926 -14.153 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.530 3.539 -14.968 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.183 1.262 -13.729 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.622 1.481 -14.730 1.00 0.00 H new ATOM 246 N PRO A 18 -5.593 2.074 -7.390 1.00 0.00 N ATOM 247 CA PRO A 18 -4.367 2.373 -6.626 1.00 0.00 C ATOM 248 C PRO A 18 -3.750 1.082 -6.076 1.00 0.00 C ATOM 249 O PRO A 18 -2.569 1.028 -5.791 1.00 0.00 O ATOM 250 CB PRO A 18 -4.846 3.293 -5.499 1.00 0.00 C ATOM 251 CG PRO A 18 -6.359 3.034 -5.344 1.00 0.00 C ATOM 252 CD PRO A 18 -6.842 2.499 -6.705 1.00 0.00 C ATOM 0 HA PRO A 18 -3.589 2.839 -7.231 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.317 3.078 -4.570 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.653 4.338 -5.741 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.552 2.312 -4.551 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.886 3.950 -5.076 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.534 1.665 -6.583 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.366 3.268 -7.272 1.00 0.00 H new ATOM 260 N ALA A 19 -4.536 0.042 -5.938 1.00 0.00 N ATOM 261 CA ALA A 19 -3.993 -1.249 -5.423 1.00 0.00 C ATOM 262 C ALA A 19 -3.178 -1.935 -6.526 1.00 0.00 C ATOM 263 O ALA A 19 -2.296 -2.726 -6.251 1.00 0.00 O ATOM 264 CB ALA A 19 -5.149 -2.159 -5.001 1.00 0.00 C ATOM 0 H ALA A 19 -5.531 0.034 -6.161 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.352 -1.056 -4.563 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.751 -3.102 -4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.729 -1.671 -4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.791 -2.353 -5.860 1.00 0.00 H new ATOM 270 N THR A 20 -3.463 -1.635 -7.773 1.00 0.00 N ATOM 271 CA THR A 20 -2.702 -2.266 -8.892 1.00 0.00 C ATOM 272 C THR A 20 -1.370 -1.530 -9.071 1.00 0.00 C ATOM 273 O THR A 20 -0.371 -2.122 -9.434 1.00 0.00 O ATOM 274 CB THR A 20 -3.521 -2.176 -10.186 1.00 0.00 C ATOM 275 OG1 THR A 20 -4.785 -2.794 -9.986 1.00 0.00 O ATOM 276 CG2 THR A 20 -2.781 -2.892 -11.319 1.00 0.00 C ATOM 0 H THR A 20 -4.190 -0.980 -8.060 1.00 0.00 H new ATOM 0 HA THR A 20 -2.512 -3.314 -8.662 1.00 0.00 H new ATOM 0 HB THR A 20 -3.660 -1.128 -10.452 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.470 -2.105 -9.861 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.367 -2.825 -12.236 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.810 -2.421 -11.474 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.638 -3.940 -11.055 1.00 0.00 H new ATOM 284 N VAL A 21 -1.351 -0.247 -8.813 1.00 0.00 N ATOM 285 CA VAL A 21 -0.083 0.530 -8.959 1.00 0.00 C ATOM 286 C VAL A 21 0.826 0.248 -7.760 1.00 0.00 C ATOM 287 O VAL A 21 2.038 0.251 -7.872 1.00 0.00 O ATOM 288 CB VAL A 21 -0.405 2.024 -9.014 1.00 0.00 C ATOM 289 CG1 VAL A 21 0.871 2.814 -9.309 1.00 0.00 C ATOM 290 CG2 VAL A 21 -1.431 2.284 -10.119 1.00 0.00 C ATOM 0 H VAL A 21 -2.159 0.296 -8.508 1.00 0.00 H new ATOM 0 HA VAL A 21 0.423 0.233 -9.878 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.814 2.341 -8.054 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.639 3.878 -9.348 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.603 2.630 -8.522 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.282 2.497 -10.268 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.661 3.349 -10.159 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.022 1.965 -11.078 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.342 1.724 -9.909 1.00 0.00 H new ATOM 300 N LEU A 22 0.244 0.008 -6.611 1.00 0.00 N ATOM 301 CA LEU A 22 1.060 -0.270 -5.393 1.00 0.00 C ATOM 302 C LEU A 22 1.584 -1.708 -5.432 1.00 0.00 C ATOM 303 O LEU A 22 2.689 -1.982 -5.005 1.00 0.00 O ATOM 304 CB LEU A 22 0.193 -0.078 -4.146 1.00 0.00 C ATOM 305 CG LEU A 22 0.211 1.395 -3.734 1.00 0.00 C ATOM 306 CD1 LEU A 22 -0.783 1.620 -2.592 1.00 0.00 C ATOM 307 CD2 LEU A 22 1.617 1.775 -3.266 1.00 0.00 C ATOM 0 H LEU A 22 -0.765 -0.007 -6.466 1.00 0.00 H new ATOM 0 HA LEU A 22 1.905 0.418 -5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.829 -0.398 -4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.566 -0.699 -3.332 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.070 2.013 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.769 2.670 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.785 1.349 -2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.503 1.002 -1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.631 2.825 -2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.897 1.156 -2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.326 1.616 -4.078 1.00 0.00 H new ATOM 319 N VAL A 23 0.799 -2.627 -5.938 1.00 0.00 N ATOM 320 CA VAL A 23 1.249 -4.050 -6.003 1.00 0.00 C ATOM 321 C VAL A 23 2.356 -4.191 -7.056 1.00 0.00 C ATOM 322 O VAL A 23 3.216 -5.044 -6.952 1.00 0.00 O ATOM 323 CB VAL A 23 0.056 -4.950 -6.369 1.00 0.00 C ATOM 324 CG1 VAL A 23 -0.487 -4.570 -7.747 1.00 0.00 C ATOM 325 CG2 VAL A 23 0.501 -6.417 -6.384 1.00 0.00 C ATOM 0 H VAL A 23 -0.135 -2.452 -6.309 1.00 0.00 H new ATOM 0 HA VAL A 23 1.640 -4.354 -5.032 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.729 -4.814 -5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.331 -5.213 -7.996 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.814 -3.530 -7.735 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.297 -4.695 -8.494 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.346 -7.052 -6.644 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.293 -6.549 -7.121 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.873 -6.694 -5.398 1.00 0.00 H new ATOM 335 N GLN A 24 2.326 -3.367 -8.071 1.00 0.00 N ATOM 336 CA GLN A 24 3.364 -3.449 -9.141 1.00 0.00 C ATOM 337 C GLN A 24 4.727 -3.039 -8.579 1.00 0.00 C ATOM 338 O GLN A 24 5.707 -3.741 -8.739 1.00 0.00 O ATOM 339 CB GLN A 24 2.986 -2.509 -10.288 1.00 0.00 C ATOM 340 CG GLN A 24 2.066 -3.239 -11.267 1.00 0.00 C ATOM 341 CD GLN A 24 1.344 -2.218 -12.147 1.00 0.00 C ATOM 342 OE1 GLN A 24 0.122 -2.458 -12.536 1.00 0.00 O flip ATOM 343 NE2 GLN A 24 1.898 -1.190 -12.485 1.00 0.00 N flip ATOM 0 H GLN A 24 1.625 -2.638 -8.205 1.00 0.00 H new ATOM 0 HA GLN A 24 3.420 -4.474 -9.507 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.487 -1.623 -9.896 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.884 -2.167 -10.803 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.646 -3.923 -11.886 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.340 -3.841 -10.720 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.853 -1.002 -12.181 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.407 -0.516 -13.072 1.00 0.00 H new ATOM 352 N THR A 25 4.798 -1.904 -7.932 1.00 0.00 N ATOM 353 CA THR A 25 6.100 -1.438 -7.366 1.00 0.00 C ATOM 354 C THR A 25 6.581 -2.411 -6.285 1.00 0.00 C ATOM 355 O THR A 25 7.756 -2.712 -6.189 1.00 0.00 O ATOM 356 CB THR A 25 5.920 -0.046 -6.755 1.00 0.00 C ATOM 357 OG1 THR A 25 5.346 0.823 -7.721 1.00 0.00 O ATOM 358 CG2 THR A 25 7.279 0.501 -6.316 1.00 0.00 C ATOM 0 H THR A 25 4.009 -1.278 -7.771 1.00 0.00 H new ATOM 0 HA THR A 25 6.842 -1.397 -8.164 1.00 0.00 H new ATOM 0 HB THR A 25 5.262 -0.112 -5.889 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.490 1.163 -7.387 1.00 0.00 H new ATOM 0 HG21 THR A 25 7.149 1.492 -5.881 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.717 -0.166 -5.574 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.941 0.568 -7.180 1.00 0.00 H new ATOM 366 N ALA A 26 5.683 -2.896 -5.466 1.00 0.00 N ATOM 367 CA ALA A 26 6.080 -3.843 -4.381 1.00 0.00 C ATOM 368 C ALA A 26 6.446 -5.209 -4.974 1.00 0.00 C ATOM 369 O ALA A 26 7.149 -5.987 -4.356 1.00 0.00 O ATOM 370 CB ALA A 26 4.913 -4.011 -3.406 1.00 0.00 C ATOM 0 H ALA A 26 4.688 -2.676 -5.502 1.00 0.00 H new ATOM 0 HA ALA A 26 6.948 -3.440 -3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.198 -4.702 -2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.660 -3.044 -2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.048 -4.407 -3.938 1.00 0.00 H new ATOM 376 N SER A 27 5.978 -5.508 -6.162 1.00 0.00 N ATOM 377 CA SER A 27 6.300 -6.824 -6.786 1.00 0.00 C ATOM 378 C SER A 27 7.800 -6.895 -7.086 1.00 0.00 C ATOM 379 O SER A 27 8.400 -7.952 -7.049 1.00 0.00 O ATOM 380 CB SER A 27 5.507 -6.978 -8.086 1.00 0.00 C ATOM 381 OG SER A 27 6.098 -6.173 -9.099 1.00 0.00 O ATOM 0 H SER A 27 5.387 -4.896 -6.724 1.00 0.00 H new ATOM 0 HA SER A 27 6.032 -7.628 -6.101 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.496 -8.023 -8.397 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.470 -6.681 -7.929 1.00 0.00 H new ATOM 0 HG SER A 27 5.579 -5.349 -9.206 1.00 0.00 H new ATOM 387 N LYS A 28 8.406 -5.774 -7.383 1.00 0.00 N ATOM 388 CA LYS A 28 9.867 -5.761 -7.690 1.00 0.00 C ATOM 389 C LYS A 28 10.672 -6.161 -6.449 1.00 0.00 C ATOM 390 O LYS A 28 11.800 -6.608 -6.555 1.00 0.00 O ATOM 391 CB LYS A 28 10.282 -4.354 -8.128 1.00 0.00 C ATOM 392 CG LYS A 28 9.779 -4.090 -9.550 1.00 0.00 C ATOM 393 CD LYS A 28 10.676 -4.816 -10.558 1.00 0.00 C ATOM 394 CE LYS A 28 10.028 -6.142 -10.966 1.00 0.00 C ATOM 395 NZ LYS A 28 10.288 -6.398 -12.411 1.00 0.00 N ATOM 0 H LYS A 28 7.949 -4.863 -7.426 1.00 0.00 H new ATOM 0 HA LYS A 28 10.067 -6.473 -8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.871 -3.613 -7.443 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.367 -4.256 -8.091 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.749 -4.433 -9.652 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.779 -3.019 -9.753 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.831 -4.191 -11.437 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.657 -4.999 -10.120 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.430 -6.956 -10.363 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.955 -6.107 -10.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.848 -7.299 -12.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.884 -5.626 -12.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.314 -6.449 -12.576 1.00 0.00 H new ATOM 409 N TYR A 29 10.111 -5.999 -5.276 1.00 0.00 N ATOM 410 CA TYR A 29 10.851 -6.361 -4.032 1.00 0.00 C ATOM 411 C TYR A 29 10.372 -7.719 -3.517 1.00 0.00 C ATOM 412 O TYR A 29 9.187 -7.990 -3.459 1.00 0.00 O ATOM 413 CB TYR A 29 10.604 -5.289 -2.971 1.00 0.00 C ATOM 414 CG TYR A 29 11.034 -3.951 -3.518 1.00 0.00 C ATOM 415 CD1 TYR A 29 10.201 -3.260 -4.406 1.00 0.00 C ATOM 416 CD2 TYR A 29 12.267 -3.405 -3.146 1.00 0.00 C ATOM 417 CE1 TYR A 29 10.603 -2.023 -4.922 1.00 0.00 C ATOM 418 CE2 TYR A 29 12.669 -2.167 -3.661 1.00 0.00 C ATOM 419 CZ TYR A 29 11.836 -1.476 -4.550 1.00 0.00 C ATOM 420 OH TYR A 29 12.233 -0.255 -5.059 1.00 0.00 O ATOM 0 H TYR A 29 9.171 -5.631 -5.128 1.00 0.00 H new ATOM 0 HA TYR A 29 11.917 -6.423 -4.249 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.549 -5.264 -2.700 1.00 0.00 H new ATOM 0 HB3 TYR A 29 11.161 -5.522 -2.063 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.249 -3.681 -4.693 1.00 0.00 H new ATOM 0 HD2 TYR A 29 12.909 -3.939 -2.461 1.00 0.00 H new ATOM 0 HE1 TYR A 29 9.961 -1.490 -5.608 1.00 0.00 H new ATOM 0 HE2 TYR A 29 13.621 -1.745 -3.373 1.00 0.00 H new ATOM 0 HH TYR A 29 13.113 -0.021 -4.698 1.00 0.00 H new ATOM 430 N ASP A 30 11.291 -8.570 -3.142 1.00 0.00 N ATOM 431 CA ASP A 30 10.911 -9.916 -2.623 1.00 0.00 C ATOM 432 C ASP A 30 10.455 -9.815 -1.161 1.00 0.00 C ATOM 433 O ASP A 30 9.925 -10.762 -0.609 1.00 0.00 O ATOM 434 CB ASP A 30 12.117 -10.853 -2.712 1.00 0.00 C ATOM 435 CG ASP A 30 12.251 -11.380 -4.142 1.00 0.00 C ATOM 436 OD1 ASP A 30 12.169 -10.578 -5.057 1.00 0.00 O ATOM 437 OD2 ASP A 30 12.432 -12.576 -4.297 1.00 0.00 O ATOM 0 H ASP A 30 12.294 -8.389 -3.173 1.00 0.00 H new ATOM 0 HA ASP A 30 10.090 -10.307 -3.224 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.024 -10.323 -2.422 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.997 -11.684 -2.017 1.00 0.00 H new ATOM 442 N ALA A 31 10.653 -8.681 -0.521 1.00 0.00 N ATOM 443 CA ALA A 31 10.230 -8.534 0.906 1.00 0.00 C ATOM 444 C ALA A 31 8.724 -8.787 1.026 1.00 0.00 C ATOM 445 O ALA A 31 8.001 -8.752 0.048 1.00 0.00 O ATOM 446 CB ALA A 31 10.547 -7.118 1.390 1.00 0.00 C ATOM 0 H ALA A 31 11.089 -7.854 -0.929 1.00 0.00 H new ATOM 0 HA ALA A 31 10.769 -9.258 1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.239 -7.011 2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.619 -6.937 1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.010 -6.395 0.776 1.00 0.00 H new ATOM 452 N ASP A 32 8.253 -9.047 2.218 1.00 0.00 N ATOM 453 CA ASP A 32 6.797 -9.311 2.411 1.00 0.00 C ATOM 454 C ASP A 32 6.068 -7.997 2.692 1.00 0.00 C ATOM 455 O ASP A 32 6.072 -7.500 3.802 1.00 0.00 O ATOM 456 CB ASP A 32 6.604 -10.263 3.594 1.00 0.00 C ATOM 457 CG ASP A 32 7.280 -11.600 3.289 1.00 0.00 C ATOM 458 OD1 ASP A 32 6.825 -12.277 2.381 1.00 0.00 O ATOM 459 OD2 ASP A 32 8.240 -11.924 3.967 1.00 0.00 O ATOM 0 H ASP A 32 8.816 -9.088 3.068 1.00 0.00 H new ATOM 0 HA ASP A 32 6.390 -9.764 1.507 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.028 -9.827 4.498 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.541 -10.415 3.782 1.00 0.00 H new ATOM 464 N VAL A 33 5.436 -7.439 1.693 1.00 0.00 N ATOM 465 CA VAL A 33 4.692 -6.159 1.892 1.00 0.00 C ATOM 466 C VAL A 33 3.218 -6.472 2.162 1.00 0.00 C ATOM 467 O VAL A 33 2.584 -7.199 1.421 1.00 0.00 O ATOM 468 CB VAL A 33 4.817 -5.277 0.642 1.00 0.00 C ATOM 469 CG1 VAL A 33 6.249 -4.748 0.535 1.00 0.00 C ATOM 470 CG2 VAL A 33 4.478 -6.092 -0.615 1.00 0.00 C ATOM 0 H VAL A 33 5.403 -7.815 0.745 1.00 0.00 H new ATOM 0 HA VAL A 33 5.114 -5.623 2.742 1.00 0.00 H new ATOM 0 HB VAL A 33 4.121 -4.442 0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.340 -4.121 -0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.487 -4.159 1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.942 -5.586 0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.570 -5.457 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.167 -6.933 -0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.457 -6.466 -0.542 1.00 0.00 H new ATOM 480 N ASN A 34 2.671 -5.934 3.225 1.00 0.00 N ATOM 481 CA ASN A 34 1.239 -6.206 3.551 1.00 0.00 C ATOM 482 C ASN A 34 0.528 -4.895 3.892 1.00 0.00 C ATOM 483 O ASN A 34 1.131 -3.961 4.384 1.00 0.00 O ATOM 484 CB ASN A 34 1.159 -7.152 4.752 1.00 0.00 C ATOM 485 CG ASN A 34 2.001 -8.399 4.481 1.00 0.00 C ATOM 486 OD1 ASN A 34 1.652 -9.214 3.649 1.00 0.00 O ATOM 487 ND2 ASN A 34 3.104 -8.586 5.151 1.00 0.00 N ATOM 0 H ASN A 34 3.155 -5.319 3.879 1.00 0.00 H new ATOM 0 HA ASN A 34 0.756 -6.666 2.689 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.517 -6.647 5.649 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.122 -7.434 4.937 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.672 -9.415 4.977 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.398 -7.903 5.849 1.00 0.00 H new ATOM 494 N LEU A 35 -0.754 -4.827 3.635 1.00 0.00 N ATOM 495 CA LEU A 35 -1.520 -3.585 3.941 1.00 0.00 C ATOM 496 C LEU A 35 -2.471 -3.850 5.110 1.00 0.00 C ATOM 497 O LEU A 35 -3.251 -4.784 5.084 1.00 0.00 O ATOM 498 CB LEU A 35 -2.328 -3.170 2.711 1.00 0.00 C ATOM 499 CG LEU A 35 -2.755 -1.709 2.849 1.00 0.00 C ATOM 500 CD1 LEU A 35 -1.591 -0.799 2.457 1.00 0.00 C ATOM 501 CD2 LEU A 35 -3.946 -1.437 1.929 1.00 0.00 C ATOM 0 H LEU A 35 -1.303 -5.582 3.225 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.828 -2.786 4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.730 -3.301 1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.206 -3.808 2.607 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.040 -1.510 3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.895 0.243 2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.741 -0.992 3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.306 -0.998 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.251 -0.395 2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.661 -1.636 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.776 -2.086 2.207 1.00 0.00 H new ATOM 513 N GLU A 36 -2.410 -3.036 6.133 1.00 0.00 N ATOM 514 CA GLU A 36 -3.309 -3.238 7.310 1.00 0.00 C ATOM 515 C GLU A 36 -4.264 -2.050 7.437 1.00 0.00 C ATOM 516 O GLU A 36 -3.918 -0.931 7.108 1.00 0.00 O ATOM 517 CB GLU A 36 -2.464 -3.353 8.581 1.00 0.00 C ATOM 518 CG GLU A 36 -3.265 -4.078 9.664 1.00 0.00 C ATOM 519 CD GLU A 36 -2.734 -3.683 11.042 1.00 0.00 C ATOM 520 OE1 GLU A 36 -1.526 -3.572 11.182 1.00 0.00 O ATOM 521 OE2 GLU A 36 -3.543 -3.495 11.936 1.00 0.00 O ATOM 0 H GLU A 36 -1.776 -2.240 6.204 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.887 -4.152 7.172 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.543 -3.897 8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.176 -2.361 8.930 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.321 -3.822 9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.187 -5.157 9.528 1.00 0.00 H new ATOM 528 N TYR A 37 -5.462 -2.284 7.910 1.00 0.00 N ATOM 529 CA TYR A 37 -6.443 -1.167 8.060 1.00 0.00 C ATOM 530 C TYR A 37 -7.528 -1.562 9.066 1.00 0.00 C ATOM 531 O TYR A 37 -8.054 -2.650 9.017 1.00 0.00 O ATOM 532 CB TYR A 37 -7.091 -0.870 6.708 1.00 0.00 C ATOM 533 CG TYR A 37 -7.798 0.458 6.786 1.00 0.00 C ATOM 534 CD1 TYR A 37 -7.056 1.644 6.771 1.00 0.00 C ATOM 535 CD2 TYR A 37 -9.194 0.504 6.885 1.00 0.00 C ATOM 536 CE1 TYR A 37 -7.710 2.878 6.853 1.00 0.00 C ATOM 537 CE2 TYR A 37 -9.847 1.739 6.966 1.00 0.00 C ATOM 538 CZ TYR A 37 -9.105 2.926 6.950 1.00 0.00 C ATOM 539 OH TYR A 37 -9.750 4.144 7.033 1.00 0.00 O ATOM 0 H TYR A 37 -5.803 -3.201 8.199 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.922 -0.279 8.419 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.334 -0.848 5.924 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.797 -1.658 6.447 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.979 1.607 6.696 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.766 -0.412 6.899 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.138 3.794 6.841 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.924 1.776 7.041 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.717 3.998 7.093 1.00 0.00 H new ATOM 549 N ASN A 38 -7.855 -0.670 9.970 1.00 0.00 N ATOM 550 CA ASN A 38 -8.901 -0.944 11.003 1.00 0.00 C ATOM 551 C ASN A 38 -8.423 -2.065 11.937 1.00 0.00 C ATOM 552 O ASN A 38 -7.867 -1.808 12.988 1.00 0.00 O ATOM 553 CB ASN A 38 -10.231 -1.314 10.321 1.00 0.00 C ATOM 554 CG ASN A 38 -11.304 -1.579 11.383 1.00 0.00 C ATOM 555 OD1 ASN A 38 -11.542 -0.753 12.242 1.00 0.00 O ATOM 556 ND2 ASN A 38 -11.965 -2.703 11.358 1.00 0.00 N ATOM 0 H ASN A 38 -7.431 0.255 10.035 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.068 -0.048 11.601 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.550 -0.506 9.663 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.097 -2.198 9.698 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -12.682 -2.889 12.059 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.765 -3.396 10.637 1.00 0.00 H new ATOM 563 N GLY A 39 -8.627 -3.298 11.562 1.00 0.00 N ATOM 564 CA GLY A 39 -8.181 -4.438 12.416 1.00 0.00 C ATOM 565 C GLY A 39 -8.093 -5.700 11.565 1.00 0.00 C ATOM 566 O GLY A 39 -8.286 -6.801 12.047 1.00 0.00 O ATOM 0 H GLY A 39 -9.088 -3.568 10.693 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.211 -4.217 12.860 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.881 -4.588 13.238 1.00 0.00 H new ATOM 570 N LYS A 40 -7.793 -5.546 10.302 1.00 0.00 N ATOM 571 CA LYS A 40 -7.677 -6.728 9.407 1.00 0.00 C ATOM 572 C LYS A 40 -6.384 -6.624 8.604 1.00 0.00 C ATOM 573 O LYS A 40 -5.976 -5.551 8.200 1.00 0.00 O ATOM 574 CB LYS A 40 -8.865 -6.776 8.449 1.00 0.00 C ATOM 575 CG LYS A 40 -10.108 -7.270 9.194 1.00 0.00 C ATOM 576 CD LYS A 40 -10.944 -6.072 9.648 1.00 0.00 C ATOM 577 CE LYS A 40 -12.419 -6.472 9.708 1.00 0.00 C ATOM 578 NZ LYS A 40 -12.605 -7.532 10.740 1.00 0.00 N ATOM 0 H LYS A 40 -7.623 -4.646 9.853 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.668 -7.636 10.010 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.049 -5.786 8.032 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.643 -7.438 7.612 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.701 -7.915 8.545 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.814 -7.869 10.056 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.609 -5.731 10.628 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.810 -5.239 8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.033 -5.604 9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.748 -6.835 8.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.619 -7.649 10.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.215 -8.430 10.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.110 -7.257 11.613 1.00 0.00 H new ATOM 592 N THR A 41 -5.745 -7.733 8.373 1.00 0.00 N ATOM 593 CA THR A 41 -4.472 -7.725 7.595 1.00 0.00 C ATOM 594 C THR A 41 -4.657 -8.530 6.308 1.00 0.00 C ATOM 595 O THR A 41 -5.175 -9.629 6.323 1.00 0.00 O ATOM 596 CB THR A 41 -3.357 -8.355 8.434 1.00 0.00 C ATOM 597 OG1 THR A 41 -3.299 -7.711 9.698 1.00 0.00 O ATOM 598 CG2 THR A 41 -2.018 -8.190 7.713 1.00 0.00 C ATOM 0 H THR A 41 -6.050 -8.653 8.691 1.00 0.00 H new ATOM 0 HA THR A 41 -4.204 -6.698 7.347 1.00 0.00 H new ATOM 0 HB THR A 41 -3.562 -9.416 8.575 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.587 -8.114 10.238 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.225 -8.639 8.311 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.064 -8.684 6.742 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.809 -7.130 7.571 1.00 0.00 H new ATOM 606 N VAL A 42 -4.234 -7.987 5.194 1.00 0.00 N ATOM 607 CA VAL A 42 -4.381 -8.714 3.899 1.00 0.00 C ATOM 608 C VAL A 42 -3.083 -8.592 3.095 1.00 0.00 C ATOM 609 O VAL A 42 -2.324 -7.658 3.266 1.00 0.00 O ATOM 610 CB VAL A 42 -5.536 -8.106 3.099 1.00 0.00 C ATOM 611 CG1 VAL A 42 -6.852 -8.347 3.840 1.00 0.00 C ATOM 612 CG2 VAL A 42 -5.312 -6.600 2.938 1.00 0.00 C ATOM 0 H VAL A 42 -3.793 -7.070 5.127 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.590 -9.766 4.095 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.580 -8.574 2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.675 -7.914 3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.014 -9.419 3.954 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.806 -7.880 4.824 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.135 -6.169 2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.267 -6.132 3.921 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.375 -6.426 2.410 1.00 0.00 H new ATOM 622 N ASN A 43 -2.829 -9.532 2.220 1.00 0.00 N ATOM 623 CA ASN A 43 -1.585 -9.480 1.399 1.00 0.00 C ATOM 624 C ASN A 43 -1.630 -8.249 0.490 1.00 0.00 C ATOM 625 O ASN A 43 -2.647 -7.943 -0.103 1.00 0.00 O ATOM 626 CB ASN A 43 -1.486 -10.743 0.541 1.00 0.00 C ATOM 627 CG ASN A 43 -0.061 -10.885 0.002 1.00 0.00 C ATOM 628 OD1 ASN A 43 0.879 -10.400 0.599 1.00 0.00 O ATOM 629 ND2 ASN A 43 0.140 -11.536 -1.112 1.00 0.00 N ATOM 0 H ASN A 43 -3.432 -10.335 2.040 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.717 -9.419 2.055 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.751 -11.619 1.133 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.195 -10.690 -0.285 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.086 -11.637 -1.480 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.649 -11.944 -1.614 1.00 0.00 H new ATOM 636 N LEU A 44 -0.533 -7.545 0.379 1.00 0.00 N ATOM 637 CA LEU A 44 -0.500 -6.331 -0.488 1.00 0.00 C ATOM 638 C LEU A 44 -0.594 -6.730 -1.970 1.00 0.00 C ATOM 639 O LEU A 44 -0.784 -5.887 -2.827 1.00 0.00 O ATOM 640 CB LEU A 44 0.806 -5.571 -0.245 1.00 0.00 C ATOM 641 CG LEU A 44 0.618 -4.093 -0.608 1.00 0.00 C ATOM 642 CD1 LEU A 44 1.379 -3.218 0.391 1.00 0.00 C ATOM 643 CD2 LEU A 44 1.155 -3.838 -2.019 1.00 0.00 C ATOM 0 H LEU A 44 0.344 -7.760 0.854 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.350 -5.695 -0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.103 -5.664 0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.607 -6.004 -0.844 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.443 -3.846 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.244 -2.168 0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.996 -3.395 1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.440 -3.467 0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.020 -2.787 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.215 -4.087 -2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.612 -4.458 -2.733 1.00 0.00 H new ATOM 655 N LYS A 45 -0.463 -8.001 -2.283 1.00 0.00 N ATOM 656 CA LYS A 45 -0.545 -8.435 -3.710 1.00 0.00 C ATOM 657 C LYS A 45 -1.964 -8.917 -4.028 1.00 0.00 C ATOM 658 O LYS A 45 -2.158 -9.780 -4.863 1.00 0.00 O ATOM 659 CB LYS A 45 0.446 -9.576 -3.954 1.00 0.00 C ATOM 660 CG LYS A 45 1.877 -9.052 -3.819 1.00 0.00 C ATOM 661 CD LYS A 45 2.815 -10.213 -3.477 1.00 0.00 C ATOM 662 CE LYS A 45 4.215 -9.919 -4.019 1.00 0.00 C ATOM 663 NZ LYS A 45 4.839 -11.186 -4.495 1.00 0.00 N ATOM 0 H LYS A 45 -0.303 -8.751 -1.611 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.299 -7.591 -4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.274 -10.380 -3.238 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.294 -9.996 -4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.191 -8.578 -4.749 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.925 -8.290 -3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.855 -10.356 -2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.435 -11.140 -3.907 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.157 -9.200 -4.836 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.831 -9.468 -3.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.791 -10.987 -4.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.907 -11.858 -3.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.255 -11.599 -5.250 1.00 0.00 H new ATOM 677 N SER A 46 -2.955 -8.366 -3.370 1.00 0.00 N ATOM 678 CA SER A 46 -4.361 -8.789 -3.633 1.00 0.00 C ATOM 679 C SER A 46 -5.174 -7.582 -4.104 1.00 0.00 C ATOM 680 O SER A 46 -5.155 -6.533 -3.489 1.00 0.00 O ATOM 681 CB SER A 46 -4.973 -9.345 -2.349 1.00 0.00 C ATOM 682 OG SER A 46 -5.960 -10.312 -2.681 1.00 0.00 O ATOM 0 H SER A 46 -2.848 -7.640 -2.661 1.00 0.00 H new ATOM 0 HA SER A 46 -4.372 -9.559 -4.404 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.199 -9.797 -1.729 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.418 -8.539 -1.766 1.00 0.00 H new ATOM 0 HG SER A 46 -6.354 -10.673 -1.859 1.00 0.00 H new ATOM 688 N ILE A 47 -5.889 -7.727 -5.191 1.00 0.00 N ATOM 689 CA ILE A 47 -6.711 -6.595 -5.711 1.00 0.00 C ATOM 690 C ILE A 47 -8.139 -6.722 -5.175 1.00 0.00 C ATOM 691 O ILE A 47 -8.818 -5.737 -4.951 1.00 0.00 O ATOM 692 CB ILE A 47 -6.727 -6.636 -7.242 1.00 0.00 C ATOM 693 CG1 ILE A 47 -5.289 -6.615 -7.765 1.00 0.00 C ATOM 694 CG2 ILE A 47 -7.481 -5.420 -7.784 1.00 0.00 C ATOM 695 CD1 ILE A 47 -4.734 -8.039 -7.808 1.00 0.00 C ATOM 0 H ILE A 47 -5.938 -8.584 -5.742 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.283 -5.648 -5.383 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.226 -7.547 -7.573 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.261 -6.173 -8.761 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.667 -5.992 -7.122 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.490 -5.453 -8.873 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.506 -5.432 -7.412 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.985 -4.507 -7.453 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.710 -8.019 -8.181 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.747 -8.465 -6.805 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.349 -8.649 -8.469 1.00 0.00 H new ATOM 707 N MET A 48 -8.595 -7.931 -4.965 1.00 0.00 N ATOM 708 CA MET A 48 -9.976 -8.138 -4.439 1.00 0.00 C ATOM 709 C MET A 48 -9.929 -8.235 -2.911 1.00 0.00 C ATOM 710 O MET A 48 -10.875 -7.887 -2.231 1.00 0.00 O ATOM 711 CB MET A 48 -10.553 -9.434 -5.014 1.00 0.00 C ATOM 712 CG MET A 48 -12.045 -9.532 -4.669 1.00 0.00 C ATOM 713 SD MET A 48 -12.473 -11.243 -4.250 1.00 0.00 S ATOM 714 CE MET A 48 -12.100 -11.975 -5.864 1.00 0.00 C ATOM 0 H MET A 48 -8.067 -8.787 -5.136 1.00 0.00 H new ATOM 0 HA MET A 48 -10.606 -7.299 -4.732 1.00 0.00 H new ATOM 0 HB2 MET A 48 -10.417 -9.456 -6.095 1.00 0.00 H new ATOM 0 HB3 MET A 48 -10.019 -10.293 -4.608 1.00 0.00 H new ATOM 0 HG2 MET A 48 -12.277 -8.875 -3.831 1.00 0.00 H new ATOM 0 HG3 MET A 48 -12.645 -9.195 -5.514 1.00 0.00 H new ATOM 0 HE1 MET A 48 -12.538 -12.971 -5.922 1.00 0.00 H new ATOM 0 HE2 MET A 48 -12.517 -11.349 -6.653 1.00 0.00 H new ATOM 0 HE3 MET A 48 -11.020 -12.046 -5.990 1.00 0.00 H new ATOM 724 N GLY A 49 -8.836 -8.713 -2.372 1.00 0.00 N ATOM 725 CA GLY A 49 -8.717 -8.843 -0.889 1.00 0.00 C ATOM 726 C GLY A 49 -8.689 -7.456 -0.242 1.00 0.00 C ATOM 727 O GLY A 49 -9.093 -7.286 0.893 1.00 0.00 O ATOM 0 H GLY A 49 -8.018 -9.020 -2.898 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.556 -9.419 -0.498 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.809 -9.390 -0.635 1.00 0.00 H new ATOM 731 N VAL A 50 -8.213 -6.465 -0.953 1.00 0.00 N ATOM 732 CA VAL A 50 -8.154 -5.088 -0.379 1.00 0.00 C ATOM 733 C VAL A 50 -9.509 -4.400 -0.560 1.00 0.00 C ATOM 734 O VAL A 50 -9.964 -3.670 0.301 1.00 0.00 O ATOM 735 CB VAL A 50 -7.072 -4.279 -1.097 1.00 0.00 C ATOM 736 CG1 VAL A 50 -6.911 -2.920 -0.411 1.00 0.00 C ATOM 737 CG2 VAL A 50 -5.745 -5.039 -1.037 1.00 0.00 C ATOM 0 H VAL A 50 -7.863 -6.551 -1.907 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.916 -5.149 0.683 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.360 -4.129 -2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.140 -2.343 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.856 -2.378 -0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.622 -3.070 0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.973 -4.464 -1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.458 -5.188 0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.858 -6.008 -1.524 1.00 0.00 H new ATOM 747 N VAL A 51 -10.154 -4.629 -1.675 1.00 0.00 N ATOM 748 CA VAL A 51 -11.481 -3.993 -1.924 1.00 0.00 C ATOM 749 C VAL A 51 -12.510 -4.557 -0.938 1.00 0.00 C ATOM 750 O VAL A 51 -13.461 -3.891 -0.575 1.00 0.00 O ATOM 751 CB VAL A 51 -11.926 -4.286 -3.361 1.00 0.00 C ATOM 752 CG1 VAL A 51 -13.241 -3.560 -3.654 1.00 0.00 C ATOM 753 CG2 VAL A 51 -10.851 -3.796 -4.336 1.00 0.00 C ATOM 0 H VAL A 51 -9.817 -5.231 -2.426 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.402 -2.915 -1.785 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.071 -5.360 -3.480 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.553 -3.771 -4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -14.009 -3.905 -2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.099 -2.486 -3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.166 -4.004 -5.359 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.708 -2.723 -4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.913 -4.313 -4.133 1.00 0.00 H new ATOM 763 N SER A 52 -12.323 -5.778 -0.502 1.00 0.00 N ATOM 764 CA SER A 52 -13.285 -6.390 0.463 1.00 0.00 C ATOM 765 C SER A 52 -13.271 -5.597 1.773 1.00 0.00 C ATOM 766 O SER A 52 -14.253 -5.559 2.492 1.00 0.00 O ATOM 767 CB SER A 52 -12.879 -7.838 0.739 1.00 0.00 C ATOM 768 OG SER A 52 -11.499 -7.883 1.076 1.00 0.00 O ATOM 0 H SER A 52 -11.544 -6.378 -0.774 1.00 0.00 H new ATOM 0 HA SER A 52 -14.288 -6.369 0.037 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.477 -8.247 1.553 1.00 0.00 H new ATOM 0 HB3 SER A 52 -13.071 -8.455 -0.139 1.00 0.00 H new ATOM 0 HG SER A 52 -11.111 -6.988 0.985 1.00 0.00 H new ATOM 774 N LEU A 53 -12.166 -4.966 2.089 1.00 0.00 N ATOM 775 CA LEU A 53 -12.081 -4.173 3.353 1.00 0.00 C ATOM 776 C LEU A 53 -13.128 -3.057 3.333 1.00 0.00 C ATOM 777 O LEU A 53 -13.775 -2.784 4.327 1.00 0.00 O ATOM 778 CB LEU A 53 -10.686 -3.556 3.474 1.00 0.00 C ATOM 779 CG LEU A 53 -9.677 -4.643 3.845 1.00 0.00 C ATOM 780 CD1 LEU A 53 -8.259 -4.075 3.761 1.00 0.00 C ATOM 781 CD2 LEU A 53 -9.948 -5.121 5.274 1.00 0.00 C ATOM 0 H LEU A 53 -11.317 -4.967 1.523 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.267 -4.829 4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -10.401 -3.087 2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.688 -2.773 4.232 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.775 -5.480 3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.540 -4.850 4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.064 -3.731 2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.161 -3.238 4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.230 -5.896 5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.849 -4.282 5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.958 -5.525 5.337 1.00 0.00 H new ATOM 793 N GLY A 54 -13.298 -2.414 2.207 1.00 0.00 N ATOM 794 CA GLY A 54 -14.301 -1.315 2.107 1.00 0.00 C ATOM 795 C GLY A 54 -13.683 -0.010 2.610 1.00 0.00 C ATOM 796 O GLY A 54 -14.287 0.719 3.374 1.00 0.00 O ATOM 0 H GLY A 54 -12.782 -2.605 1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.628 -1.200 1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.185 -1.561 2.695 1.00 0.00 H new ATOM 800 N ILE A 55 -12.482 0.290 2.182 1.00 0.00 N ATOM 801 CA ILE A 55 -11.816 1.545 2.621 1.00 0.00 C ATOM 802 C ILE A 55 -12.304 2.700 1.749 1.00 0.00 C ATOM 803 O ILE A 55 -12.532 2.542 0.564 1.00 0.00 O ATOM 804 CB ILE A 55 -10.301 1.400 2.472 1.00 0.00 C ATOM 805 CG1 ILE A 55 -9.833 0.137 3.200 1.00 0.00 C ATOM 806 CG2 ILE A 55 -9.609 2.619 3.083 1.00 0.00 C ATOM 807 CD1 ILE A 55 -8.416 -0.208 2.748 1.00 0.00 C ATOM 0 H ILE A 55 -11.935 -0.287 1.543 1.00 0.00 H new ATOM 0 HA ILE A 55 -12.058 1.743 3.665 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.048 1.327 1.414 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.855 0.295 4.278 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -10.508 -0.692 2.986 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.529 2.516 2.977 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.940 3.521 2.568 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.864 2.690 4.140 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.078 -1.107 3.264 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.410 -0.383 1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.747 0.619 2.985 1.00 0.00 H new ATOM 819 N ALA A 56 -12.468 3.856 2.329 1.00 0.00 N ATOM 820 CA ALA A 56 -12.943 5.036 1.547 1.00 0.00 C ATOM 821 C ALA A 56 -11.912 6.162 1.643 1.00 0.00 C ATOM 822 O ALA A 56 -10.851 5.995 2.214 1.00 0.00 O ATOM 823 CB ALA A 56 -14.283 5.515 2.111 1.00 0.00 C ATOM 0 H ALA A 56 -12.293 4.037 3.317 1.00 0.00 H new ATOM 0 HA ALA A 56 -13.071 4.753 0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -14.631 6.376 1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.016 4.712 2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.158 5.798 3.156 1.00 0.00 H new ATOM 829 N LYS A 57 -12.217 7.308 1.085 1.00 0.00 N ATOM 830 CA LYS A 57 -11.260 8.454 1.137 1.00 0.00 C ATOM 831 C LYS A 57 -10.997 8.842 2.594 1.00 0.00 C ATOM 832 O LYS A 57 -11.827 8.637 3.459 1.00 0.00 O ATOM 833 CB LYS A 57 -11.854 9.649 0.390 1.00 0.00 C ATOM 834 CG LYS A 57 -13.235 9.978 0.961 1.00 0.00 C ATOM 835 CD LYS A 57 -13.497 11.479 0.826 1.00 0.00 C ATOM 836 CE LYS A 57 -13.673 11.833 -0.651 1.00 0.00 C ATOM 837 NZ LYS A 57 -13.937 13.294 -0.784 1.00 0.00 N ATOM 0 H LYS A 57 -13.091 7.498 0.594 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.321 8.161 0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.196 10.513 0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.934 9.423 -0.673 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.003 9.415 0.431 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.288 9.681 2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.390 11.755 1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.667 12.044 1.250 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.777 11.562 -1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.499 11.263 -1.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.057 13.535 -1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.803 13.539 -0.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.135 13.829 -0.393 1.00 0.00 H new ATOM 851 N GLY A 58 -9.845 9.399 2.866 1.00 0.00 N ATOM 852 CA GLY A 58 -9.514 9.804 4.264 1.00 0.00 C ATOM 853 C GLY A 58 -9.298 8.552 5.116 1.00 0.00 C ATOM 854 O GLY A 58 -9.863 8.414 6.185 1.00 0.00 O ATOM 0 H GLY A 58 -9.117 9.591 2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.617 10.423 4.273 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.321 10.407 4.681 1.00 0.00 H new ATOM 858 N ALA A 59 -8.484 7.640 4.647 1.00 0.00 N ATOM 859 CA ALA A 59 -8.226 6.390 5.420 1.00 0.00 C ATOM 860 C ALA A 59 -6.718 6.205 5.602 1.00 0.00 C ATOM 861 O ALA A 59 -5.960 6.268 4.653 1.00 0.00 O ATOM 862 CB ALA A 59 -8.802 5.193 4.661 1.00 0.00 C ATOM 0 H ALA A 59 -7.986 7.709 3.759 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.702 6.462 6.398 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.614 4.280 5.225 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.876 5.326 4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.327 5.120 3.683 1.00 0.00 H new ATOM 868 N GLU A 60 -6.281 5.978 6.816 1.00 0.00 N ATOM 869 CA GLU A 60 -4.821 5.790 7.069 1.00 0.00 C ATOM 870 C GLU A 60 -4.474 4.304 6.974 1.00 0.00 C ATOM 871 O GLU A 60 -5.051 3.478 7.656 1.00 0.00 O ATOM 872 CB GLU A 60 -4.472 6.307 8.468 1.00 0.00 C ATOM 873 CG GLU A 60 -4.885 7.780 8.600 1.00 0.00 C ATOM 874 CD GLU A 60 -6.092 7.900 9.536 1.00 0.00 C ATOM 875 OE1 GLU A 60 -5.880 7.985 10.734 1.00 0.00 O ATOM 876 OE2 GLU A 60 -7.206 7.905 9.038 1.00 0.00 O ATOM 0 H GLU A 60 -6.874 5.915 7.643 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.250 6.345 6.325 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.981 5.709 9.224 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.402 6.203 8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.053 8.367 8.988 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.132 8.187 7.619 1.00 0.00 H new ATOM 883 N ILE A 61 -3.533 3.962 6.132 1.00 0.00 N ATOM 884 CA ILE A 61 -3.138 2.531 5.983 1.00 0.00 C ATOM 885 C ILE A 61 -1.775 2.307 6.642 1.00 0.00 C ATOM 886 O ILE A 61 -0.997 3.227 6.806 1.00 0.00 O ATOM 887 CB ILE A 61 -3.051 2.178 4.497 1.00 0.00 C ATOM 888 CG1 ILE A 61 -2.124 3.170 3.789 1.00 0.00 C ATOM 889 CG2 ILE A 61 -4.446 2.256 3.872 1.00 0.00 C ATOM 890 CD1 ILE A 61 -1.793 2.652 2.389 1.00 0.00 C ATOM 0 H ILE A 61 -3.020 4.615 5.540 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.882 1.896 6.464 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.657 1.168 4.388 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.603 4.147 3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.208 3.302 4.365 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.385 2.005 2.813 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.110 1.552 4.374 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.838 3.267 3.983 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.133 3.359 1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.297 1.685 2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.713 2.543 1.815 1.00 0.00 H new ATOM 902 N THR A 62 -1.484 1.087 7.018 1.00 0.00 N ATOM 903 CA THR A 62 -0.174 0.788 7.668 1.00 0.00 C ATOM 904 C THR A 62 0.567 -0.272 6.852 1.00 0.00 C ATOM 905 O THR A 62 0.184 -1.426 6.826 1.00 0.00 O ATOM 906 CB THR A 62 -0.414 0.264 9.086 1.00 0.00 C ATOM 907 OG1 THR A 62 -1.548 0.911 9.643 1.00 0.00 O ATOM 908 CG2 THR A 62 0.816 0.547 9.950 1.00 0.00 C ATOM 0 H THR A 62 -2.101 0.283 6.902 1.00 0.00 H new ATOM 0 HA THR A 62 0.425 1.698 7.714 1.00 0.00 H new ATOM 0 HB THR A 62 -0.591 -0.811 9.052 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.704 0.575 10.550 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.645 0.174 10.960 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.685 0.048 9.521 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.996 1.621 9.986 1.00 0.00 H new ATOM 916 N ILE A 63 1.624 0.116 6.188 1.00 0.00 N ATOM 917 CA ILE A 63 2.399 -0.859 5.366 1.00 0.00 C ATOM 918 C ILE A 63 3.535 -1.448 6.210 1.00 0.00 C ATOM 919 O ILE A 63 4.152 -0.762 7.002 1.00 0.00 O ATOM 920 CB ILE A 63 2.974 -0.137 4.142 1.00 0.00 C ATOM 921 CG1 ILE A 63 1.821 0.442 3.317 1.00 0.00 C ATOM 922 CG2 ILE A 63 3.771 -1.119 3.278 1.00 0.00 C ATOM 923 CD1 ILE A 63 2.275 1.733 2.631 1.00 0.00 C ATOM 0 H ILE A 63 1.985 1.070 6.180 1.00 0.00 H new ATOM 0 HA ILE A 63 1.747 -1.667 5.035 1.00 0.00 H new ATOM 0 HB ILE A 63 3.636 0.663 4.474 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.495 -0.283 2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.965 0.643 3.961 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.175 -0.596 2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.590 -1.537 3.864 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.116 -1.924 2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.452 2.142 2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.579 2.458 3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.118 1.519 1.973 1.00 0.00 H new ATOM 935 N SER A 64 3.812 -2.715 6.036 1.00 0.00 N ATOM 936 CA SER A 64 4.906 -3.365 6.813 1.00 0.00 C ATOM 937 C SER A 64 5.696 -4.296 5.891 1.00 0.00 C ATOM 938 O SER A 64 5.168 -5.264 5.374 1.00 0.00 O ATOM 939 CB SER A 64 4.307 -4.174 7.964 1.00 0.00 C ATOM 940 OG SER A 64 3.608 -5.294 7.435 1.00 0.00 O ATOM 0 H SER A 64 3.323 -3.329 5.385 1.00 0.00 H new ATOM 0 HA SER A 64 5.570 -2.601 7.217 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.095 -4.508 8.638 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.630 -3.551 8.549 1.00 0.00 H new ATOM 0 HG SER A 64 3.753 -5.343 6.467 1.00 0.00 H new ATOM 946 N ALA A 65 6.956 -4.008 5.679 1.00 0.00 N ATOM 947 CA ALA A 65 7.787 -4.869 4.789 1.00 0.00 C ATOM 948 C ALA A 65 8.814 -5.632 5.627 1.00 0.00 C ATOM 949 O ALA A 65 9.477 -5.066 6.475 1.00 0.00 O ATOM 950 CB ALA A 65 8.514 -3.992 3.767 1.00 0.00 C ATOM 0 H ALA A 65 7.444 -3.211 6.086 1.00 0.00 H new ATOM 0 HA ALA A 65 7.144 -5.579 4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.122 -4.620 3.116 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.783 -3.449 3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.156 -3.282 4.288 1.00 0.00 H new ATOM 956 N SER A 66 8.948 -6.913 5.393 1.00 0.00 N ATOM 957 CA SER A 66 9.931 -7.723 6.172 1.00 0.00 C ATOM 958 C SER A 66 10.552 -8.786 5.262 1.00 0.00 C ATOM 959 O SER A 66 9.909 -9.750 4.893 1.00 0.00 O ATOM 960 CB SER A 66 9.216 -8.405 7.339 1.00 0.00 C ATOM 961 OG SER A 66 8.929 -7.439 8.341 1.00 0.00 O ATOM 0 H SER A 66 8.417 -7.433 4.694 1.00 0.00 H new ATOM 0 HA SER A 66 10.716 -7.072 6.557 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.294 -8.872 6.993 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.841 -9.198 7.750 1.00 0.00 H new ATOM 0 HG SER A 66 8.469 -7.872 9.090 1.00 0.00 H new ATOM 967 N GLY A 67 11.798 -8.613 4.899 1.00 0.00 N ATOM 968 CA GLY A 67 12.470 -9.607 4.011 1.00 0.00 C ATOM 969 C GLY A 67 13.929 -9.199 3.795 1.00 0.00 C ATOM 970 O GLY A 67 14.641 -8.892 4.733 1.00 0.00 O ATOM 0 H GLY A 67 12.379 -7.824 5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.422 -10.600 4.458 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.952 -9.663 3.054 1.00 0.00 H new ATOM 974 N ALA A 68 14.375 -9.193 2.565 1.00 0.00 N ATOM 975 CA ALA A 68 15.787 -8.806 2.275 1.00 0.00 C ATOM 976 C ALA A 68 15.839 -7.332 1.868 1.00 0.00 C ATOM 977 O ALA A 68 16.526 -6.535 2.478 1.00 0.00 O ATOM 978 CB ALA A 68 16.328 -9.671 1.136 1.00 0.00 C ATOM 0 H ALA A 68 13.819 -9.441 1.746 1.00 0.00 H new ATOM 0 HA ALA A 68 16.396 -8.957 3.166 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.359 -9.389 0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.291 -10.721 1.427 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.720 -9.521 0.244 1.00 0.00 H new ATOM 984 N ASP A 69 15.114 -6.966 0.841 1.00 0.00 N ATOM 985 CA ASP A 69 15.115 -5.543 0.386 1.00 0.00 C ATOM 986 C ASP A 69 13.887 -4.824 0.948 1.00 0.00 C ATOM 987 O ASP A 69 13.308 -3.970 0.303 1.00 0.00 O ATOM 988 CB ASP A 69 15.084 -5.488 -1.146 1.00 0.00 C ATOM 989 CG ASP A 69 13.952 -6.370 -1.681 1.00 0.00 C ATOM 990 OD1 ASP A 69 12.925 -6.448 -1.027 1.00 0.00 O ATOM 991 OD2 ASP A 69 14.132 -6.953 -2.737 1.00 0.00 O ATOM 0 H ASP A 69 14.521 -7.593 0.297 1.00 0.00 H new ATOM 0 HA ASP A 69 16.020 -5.052 0.745 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.942 -4.460 -1.478 1.00 0.00 H new ATOM 0 HB3 ASP A 69 16.039 -5.824 -1.549 1.00 0.00 H new ATOM 996 N GLU A 70 13.487 -5.165 2.147 1.00 0.00 N ATOM 997 CA GLU A 70 12.296 -4.508 2.763 1.00 0.00 C ATOM 998 C GLU A 70 12.555 -3.007 2.915 1.00 0.00 C ATOM 999 O GLU A 70 11.650 -2.200 2.816 1.00 0.00 O ATOM 1000 CB GLU A 70 12.028 -5.123 4.141 1.00 0.00 C ATOM 1001 CG GLU A 70 13.298 -5.061 5.000 1.00 0.00 C ATOM 1002 CD GLU A 70 13.181 -3.924 6.018 1.00 0.00 C ATOM 1003 OE1 GLU A 70 12.672 -2.878 5.652 1.00 0.00 O ATOM 1004 OE2 GLU A 70 13.603 -4.120 7.147 1.00 0.00 O ATOM 0 H GLU A 70 13.937 -5.873 2.727 1.00 0.00 H new ATOM 0 HA GLU A 70 11.428 -4.661 2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.218 -4.587 4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.705 -6.158 4.030 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.445 -6.010 5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.170 -4.905 4.365 1.00 0.00 H new ATOM 1011 N ASN A 71 13.786 -2.629 3.154 1.00 0.00 N ATOM 1012 CA ASN A 71 14.117 -1.182 3.315 1.00 0.00 C ATOM 1013 C ASN A 71 13.923 -0.455 1.984 1.00 0.00 C ATOM 1014 O ASN A 71 13.399 0.640 1.939 1.00 0.00 O ATOM 1015 CB ASN A 71 15.572 -1.042 3.764 1.00 0.00 C ATOM 1016 CG ASN A 71 15.638 -1.046 5.292 1.00 0.00 C ATOM 1017 OD1 ASN A 71 16.144 -1.976 5.888 1.00 0.00 O ATOM 1018 ND2 ASN A 71 15.143 -0.037 5.955 1.00 0.00 N ATOM 0 H ASN A 71 14.579 -3.264 3.245 1.00 0.00 H new ATOM 0 HA ASN A 71 13.458 -0.742 4.064 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.168 -1.861 3.362 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.997 -0.117 3.374 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.181 -0.029 6.974 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.718 0.743 5.454 1.00 0.00 H new ATOM 1025 N ASP A 72 14.348 -1.053 0.902 1.00 0.00 N ATOM 1026 CA ASP A 72 14.196 -0.398 -0.432 1.00 0.00 C ATOM 1027 C ASP A 72 12.734 -0.462 -0.894 1.00 0.00 C ATOM 1028 O ASP A 72 12.327 0.279 -1.767 1.00 0.00 O ATOM 1029 CB ASP A 72 15.083 -1.114 -1.452 1.00 0.00 C ATOM 1030 CG ASP A 72 16.544 -1.030 -1.006 1.00 0.00 C ATOM 1031 OD1 ASP A 72 16.813 -1.357 0.138 1.00 0.00 O ATOM 1032 OD2 ASP A 72 17.368 -0.639 -1.816 1.00 0.00 O ATOM 0 H ASP A 72 14.795 -1.970 0.884 1.00 0.00 H new ATOM 0 HA ASP A 72 14.495 0.647 -0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.780 -2.157 -1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.965 -0.659 -2.435 1.00 0.00 H new ATOM 1037 N ALA A 73 11.947 -1.345 -0.328 1.00 0.00 N ATOM 1038 CA ALA A 73 10.519 -1.460 -0.749 1.00 0.00 C ATOM 1039 C ALA A 73 9.666 -0.381 -0.070 1.00 0.00 C ATOM 1040 O ALA A 73 8.763 0.170 -0.672 1.00 0.00 O ATOM 1041 CB ALA A 73 9.988 -2.841 -0.359 1.00 0.00 C ATOM 0 H ALA A 73 12.234 -1.991 0.408 1.00 0.00 H new ATOM 0 HA ALA A 73 10.460 -1.325 -1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.945 -2.930 -0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.578 -3.611 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.062 -2.967 0.721 1.00 0.00 H new ATOM 1047 N LEU A 74 9.929 -0.088 1.183 1.00 0.00 N ATOM 1048 CA LEU A 74 9.111 0.939 1.901 1.00 0.00 C ATOM 1049 C LEU A 74 9.485 2.354 1.440 1.00 0.00 C ATOM 1050 O LEU A 74 8.633 3.219 1.348 1.00 0.00 O ATOM 1051 CB LEU A 74 9.322 0.812 3.415 1.00 0.00 C ATOM 1052 CG LEU A 74 10.800 1.015 3.763 1.00 0.00 C ATOM 1053 CD1 LEU A 74 11.036 2.467 4.190 1.00 0.00 C ATOM 1054 CD2 LEU A 74 11.187 0.077 4.912 1.00 0.00 C ATOM 0 H LEU A 74 10.672 -0.515 1.736 1.00 0.00 H new ATOM 0 HA LEU A 74 8.061 0.766 1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.713 1.550 3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.993 -0.170 3.754 1.00 0.00 H new ATOM 0 HG LEU A 74 11.410 0.793 2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.088 2.607 4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.762 3.135 3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.425 2.693 5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.239 0.221 5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.574 0.299 5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.024 -0.957 4.608 1.00 0.00 H new ATOM 1066 N ASN A 75 10.741 2.605 1.152 1.00 0.00 N ATOM 1067 CA ASN A 75 11.139 3.977 0.702 1.00 0.00 C ATOM 1068 C ASN A 75 10.871 4.130 -0.797 1.00 0.00 C ATOM 1069 O ASN A 75 10.644 5.221 -1.284 1.00 0.00 O ATOM 1070 CB ASN A 75 12.622 4.235 0.994 1.00 0.00 C ATOM 1071 CG ASN A 75 13.486 3.069 0.508 1.00 0.00 C ATOM 1072 OD1 ASN A 75 13.163 2.417 -0.463 1.00 0.00 O ATOM 1073 ND2 ASN A 75 14.590 2.787 1.148 1.00 0.00 N ATOM 0 H ASN A 75 11.500 1.926 1.208 1.00 0.00 H new ATOM 0 HA ASN A 75 10.546 4.707 1.253 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.938 5.156 0.504 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.766 4.378 2.065 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.181 2.018 0.831 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.861 3.336 1.964 1.00 0.00 H new ATOM 1080 N ALA A 76 10.886 3.045 -1.527 1.00 0.00 N ATOM 1081 CA ALA A 76 10.623 3.119 -2.995 1.00 0.00 C ATOM 1082 C ALA A 76 9.114 3.227 -3.234 1.00 0.00 C ATOM 1083 O ALA A 76 8.673 3.796 -4.214 1.00 0.00 O ATOM 1084 CB ALA A 76 11.157 1.857 -3.676 1.00 0.00 C ATOM 0 H ALA A 76 11.070 2.108 -1.168 1.00 0.00 H new ATOM 0 HA ALA A 76 11.124 3.993 -3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.964 1.912 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.230 1.777 -3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.657 0.981 -3.262 1.00 0.00 H new ATOM 1090 N LEU A 77 8.321 2.693 -2.338 1.00 0.00 N ATOM 1091 CA LEU A 77 6.839 2.766 -2.499 1.00 0.00 C ATOM 1092 C LEU A 77 6.351 4.136 -2.030 1.00 0.00 C ATOM 1093 O LEU A 77 5.343 4.635 -2.491 1.00 0.00 O ATOM 1094 CB LEU A 77 6.179 1.671 -1.658 1.00 0.00 C ATOM 1095 CG LEU A 77 6.190 0.353 -2.433 1.00 0.00 C ATOM 1096 CD1 LEU A 77 6.017 -0.813 -1.458 1.00 0.00 C ATOM 1097 CD2 LEU A 77 5.040 0.347 -3.443 1.00 0.00 C ATOM 0 H LEU A 77 8.640 2.208 -1.499 1.00 0.00 H new ATOM 0 HA LEU A 77 6.576 2.622 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.710 1.554 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.155 1.953 -1.415 1.00 0.00 H new ATOM 0 HG LEU A 77 7.138 0.249 -2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.025 -1.753 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.834 -0.809 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.068 -0.709 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.047 -0.592 -3.996 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.092 0.451 -2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.161 1.178 -4.138 1.00 0.00 H new ATOM 1109 N GLU A 78 7.063 4.746 -1.118 1.00 0.00 N ATOM 1110 CA GLU A 78 6.661 6.085 -0.609 1.00 0.00 C ATOM 1111 C GLU A 78 6.806 7.117 -1.735 1.00 0.00 C ATOM 1112 O GLU A 78 5.883 7.850 -2.038 1.00 0.00 O ATOM 1113 CB GLU A 78 7.573 6.458 0.567 1.00 0.00 C ATOM 1114 CG GLU A 78 7.207 7.849 1.112 1.00 0.00 C ATOM 1115 CD GLU A 78 8.428 8.772 1.050 1.00 0.00 C ATOM 1116 OE1 GLU A 78 9.524 8.287 1.274 1.00 0.00 O ATOM 1117 OE2 GLU A 78 8.244 9.948 0.779 1.00 0.00 O ATOM 0 H GLU A 78 7.914 4.367 -0.702 1.00 0.00 H new ATOM 0 HA GLU A 78 5.624 6.068 -0.274 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.478 5.714 1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.614 6.450 0.244 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.389 8.274 0.529 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.856 7.765 2.140 1.00 0.00 H new ATOM 1124 N GLU A 79 7.959 7.175 -2.353 1.00 0.00 N ATOM 1125 CA GLU A 79 8.174 8.157 -3.457 1.00 0.00 C ATOM 1126 C GLU A 79 7.224 7.843 -4.616 1.00 0.00 C ATOM 1127 O GLU A 79 6.778 8.732 -5.318 1.00 0.00 O ATOM 1128 CB GLU A 79 9.626 8.078 -3.942 1.00 0.00 C ATOM 1129 CG GLU A 79 9.968 6.635 -4.333 1.00 0.00 C ATOM 1130 CD GLU A 79 9.965 6.497 -5.858 1.00 0.00 C ATOM 1131 OE1 GLU A 79 10.368 7.439 -6.521 1.00 0.00 O ATOM 1132 OE2 GLU A 79 9.560 5.451 -6.337 1.00 0.00 O ATOM 0 H GLU A 79 8.762 6.583 -2.139 1.00 0.00 H new ATOM 0 HA GLU A 79 7.973 9.163 -3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.770 8.739 -4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.300 8.421 -3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.946 6.363 -3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.244 5.948 -3.895 1.00 0.00 H new ATOM 1139 N THR A 80 6.908 6.588 -4.818 1.00 0.00 N ATOM 1140 CA THR A 80 5.982 6.214 -5.928 1.00 0.00 C ATOM 1141 C THR A 80 4.554 6.639 -5.569 1.00 0.00 C ATOM 1142 O THR A 80 3.739 6.891 -6.436 1.00 0.00 O ATOM 1143 CB THR A 80 6.019 4.698 -6.136 1.00 0.00 C ATOM 1144 OG1 THR A 80 7.368 4.274 -6.272 1.00 0.00 O ATOM 1145 CG2 THR A 80 5.239 4.335 -7.399 1.00 0.00 C ATOM 0 H THR A 80 7.252 5.806 -4.261 1.00 0.00 H new ATOM 0 HA THR A 80 6.294 6.717 -6.843 1.00 0.00 H new ATOM 0 HB THR A 80 5.566 4.202 -5.278 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.615 3.718 -5.504 1.00 0.00 H new ATOM 0 HG21 THR A 80 5.266 3.255 -7.546 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.204 4.661 -7.294 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.689 4.830 -8.260 1.00 0.00 H new ATOM 1153 N MET A 81 4.249 6.716 -4.298 1.00 0.00 N ATOM 1154 CA MET A 81 2.878 7.120 -3.873 1.00 0.00 C ATOM 1155 C MET A 81 2.636 8.585 -4.237 1.00 0.00 C ATOM 1156 O MET A 81 1.554 8.957 -4.650 1.00 0.00 O ATOM 1157 CB MET A 81 2.748 6.946 -2.357 1.00 0.00 C ATOM 1158 CG MET A 81 1.267 6.796 -1.978 1.00 0.00 C ATOM 1159 SD MET A 81 0.897 5.066 -1.586 1.00 0.00 S ATOM 1160 CE MET A 81 0.622 5.292 0.190 1.00 0.00 C ATOM 0 H MET A 81 4.895 6.515 -3.535 1.00 0.00 H new ATOM 0 HA MET A 81 2.142 6.496 -4.381 1.00 0.00 H new ATOM 0 HB2 MET A 81 3.307 6.068 -2.033 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.179 7.806 -1.844 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.037 7.429 -1.121 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.637 7.133 -2.801 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.274 4.619 0.748 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.845 6.323 0.464 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.418 5.070 0.428 1.00 0.00 H new ATOM 1170 N LYS A 82 3.634 9.418 -4.083 1.00 0.00 N ATOM 1171 CA LYS A 82 3.467 10.865 -4.413 1.00 0.00 C ATOM 1172 C LYS A 82 3.546 11.068 -5.927 1.00 0.00 C ATOM 1173 O LYS A 82 2.970 11.995 -6.466 1.00 0.00 O ATOM 1174 CB LYS A 82 4.573 11.674 -3.734 1.00 0.00 C ATOM 1175 CG LYS A 82 4.117 12.089 -2.335 1.00 0.00 C ATOM 1176 CD LYS A 82 4.828 13.381 -1.929 1.00 0.00 C ATOM 1177 CE LYS A 82 4.392 13.782 -0.519 1.00 0.00 C ATOM 1178 NZ LYS A 82 5.475 14.573 0.131 1.00 0.00 N ATOM 0 H LYS A 82 4.559 9.157 -3.742 1.00 0.00 H new ATOM 0 HA LYS A 82 2.494 11.202 -4.056 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.485 11.080 -3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.809 12.557 -4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.037 12.236 -2.322 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.340 11.298 -1.619 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.908 13.239 -1.961 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.590 14.177 -2.635 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.475 14.370 -0.564 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.172 12.893 0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.178 14.846 1.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.340 13.998 0.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.664 15.429 -0.429 1.00 0.00 H new ATOM 1192 N SER A 83 4.259 10.213 -6.619 1.00 0.00 N ATOM 1193 CA SER A 83 4.383 10.357 -8.101 1.00 0.00 C ATOM 1194 C SER A 83 2.999 10.268 -8.751 1.00 0.00 C ATOM 1195 O SER A 83 2.764 10.832 -9.804 1.00 0.00 O ATOM 1196 CB SER A 83 5.273 9.239 -8.647 1.00 0.00 C ATOM 1197 OG SER A 83 4.564 8.008 -8.600 1.00 0.00 O ATOM 0 H SER A 83 4.761 9.420 -6.219 1.00 0.00 H new ATOM 0 HA SER A 83 4.826 11.326 -8.331 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.569 9.462 -9.672 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.188 9.167 -8.059 1.00 0.00 H new ATOM 0 HG SER A 83 4.192 7.879 -7.702 1.00 0.00 H new ATOM 1203 N GLU A 84 2.085 9.564 -8.133 1.00 0.00 N ATOM 1204 CA GLU A 84 0.714 9.434 -8.711 1.00 0.00 C ATOM 1205 C GLU A 84 -0.254 10.354 -7.961 1.00 0.00 C ATOM 1206 O GLU A 84 -1.251 10.791 -8.505 1.00 0.00 O ATOM 1207 CB GLU A 84 0.243 7.984 -8.581 1.00 0.00 C ATOM 1208 CG GLU A 84 0.700 7.188 -9.805 1.00 0.00 C ATOM 1209 CD GLU A 84 -0.367 7.276 -10.898 1.00 0.00 C ATOM 1210 OE1 GLU A 84 -1.310 6.504 -10.842 1.00 0.00 O ATOM 1211 OE2 GLU A 84 -0.222 8.113 -11.773 1.00 0.00 O ATOM 0 H GLU A 84 2.230 9.073 -7.251 1.00 0.00 H new ATOM 0 HA GLU A 84 0.738 9.718 -9.763 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.648 7.539 -7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.843 7.949 -8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.647 7.580 -10.174 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.871 6.147 -9.532 1.00 0.00 H new ATOM 1218 N GLY A 85 0.029 10.646 -6.716 1.00 0.00 N ATOM 1219 CA GLY A 85 -0.871 11.533 -5.925 1.00 0.00 C ATOM 1220 C GLY A 85 -1.970 10.692 -5.273 1.00 0.00 C ATOM 1221 O GLY A 85 -3.143 11.001 -5.375 1.00 0.00 O ATOM 0 H GLY A 85 0.849 10.305 -6.214 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.300 12.060 -5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.313 12.291 -6.572 1.00 0.00 H new ATOM 1225 N LEU A 86 -1.595 9.633 -4.603 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.608 8.761 -3.939 1.00 0.00 C ATOM 1227 C LEU A 86 -2.591 9.018 -2.431 1.00 0.00 C ATOM 1228 O LEU A 86 -3.618 9.004 -1.779 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.267 7.294 -4.208 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.605 6.950 -5.659 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -2.068 5.556 -5.991 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -4.124 6.968 -5.845 1.00 0.00 C ATOM 0 H LEU A 86 -0.627 9.334 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.598 8.985 -4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.209 7.115 -4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.827 6.649 -3.530 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.148 7.683 -6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.309 5.310 -7.025 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.986 5.541 -5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.526 4.822 -5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.367 6.723 -6.879 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.581 6.234 -5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.508 7.960 -5.607 1.00 0.00 H new ATOM 1244 N GLY A 87 -1.430 9.251 -1.876 1.00 0.00 N ATOM 1245 CA GLY A 87 -1.331 9.509 -0.410 1.00 0.00 C ATOM 1246 C GLY A 87 0.063 10.045 -0.080 1.00 0.00 C ATOM 1247 O GLY A 87 0.922 10.133 -0.939 1.00 0.00 O ATOM 0 H GLY A 87 -0.543 9.274 -2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.091 10.228 -0.104 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.520 8.590 0.145 1.00 0.00 H new ATOM 1251 N GLU A 88 0.294 10.404 1.157 1.00 0.00 N ATOM 1252 CA GLU A 88 1.632 10.938 1.551 1.00 0.00 C ATOM 1253 C GLU A 88 1.761 10.917 3.081 1.00 0.00 C ATOM 1254 O GLU A 88 1.365 9.927 3.671 1.00 0.00 O ATOM 1255 CB GLU A 88 1.786 12.373 1.027 1.00 0.00 C ATOM 1256 CG GLU A 88 0.573 13.217 1.447 1.00 0.00 C ATOM 1257 CD GLU A 88 -0.317 13.488 0.231 1.00 0.00 C ATOM 1258 OE1 GLU A 88 -0.358 12.701 -0.695 1.00 0.00 O ATOM 1259 OE2 GLU A 88 -1.037 14.575 0.194 1.00 0.00 O ATOM 1260 OXT GLU A 88 2.258 11.885 3.637 1.00 0.00 O ATOM 0 H GLU A 88 -0.389 10.350 1.913 1.00 0.00 H new ATOM 0 HA GLU A 88 2.417 10.317 1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.701 12.816 1.419 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.876 12.365 -0.059 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.004 12.695 2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.907 14.159 1.882 1.00 0.00 H new