USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 480 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 153 HIS : no HD1:sc= -2.64 K(o=-3.7,f=-0.43) USER MOD Set 1.2: A 156 THR OG1 : rot 150:sc= -1.02 USER MOD Single : A 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 157 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.851) USER MOD Single : A 160 GLN : amide:sc= -0.869 X(o=-0.87,f=-1.3) USER MOD Single : A 166 ASN : amide:sc=-0.00227 X(o=-0.0023,f=-0.0023) USER MOD Single : A 168 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 THR OG1 : rot 83:sc= 0.295 USER MOD Single : A 185 ASN : amide:sc= -2.53 X(o=-2.5,f=-2.6!) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 190 ASN : amide:sc= -0.0255 X(o=-0.026,f=0) USER MOD Single : A 195 GLN : amide:sc= -5.4 K(o=-5.4,f=-7!) USER MOD Single : A 197 ASN : amide:sc= -0.225 K(o=-0.22,f=-2.2!) USER MOD Single : A 198 ASN : amide:sc= -0.068 K(o=-0.068,f=-0.81) USER MOD Single : A 205 SER OG : rot 176:sc= 1.01 USER MOD Single : A 206 ASN : amide:sc= -3.43 K(o=-3.4,f=-13!) USER MOD Single : A 207 TYR OH : rot 180:sc= 0 USER MOD Single : A 211 TYR OH : rot 180:sc= 0 USER MOD Single : A 212 ASN : amide:sc= -0.0223 K(o=-0.022,f=-0.85) USER MOD Single : A 213 SER OG : rot 180:sc= -0.788 USER MOD Single : A 214 ASN : amide:sc= -0.0147 X(o=-0.015,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 153 -18.120 3.769 -3.103 1.00 0.00 N ATOM 2 CA HIS A 153 -16.742 3.840 -2.550 1.00 0.00 C ATOM 3 C HIS A 153 -16.546 5.103 -1.718 1.00 0.00 C ATOM 4 O HIS A 153 -16.973 6.190 -2.109 1.00 0.00 O ATOM 5 CB HIS A 153 -15.748 3.814 -3.712 1.00 0.00 C ATOM 6 CG HIS A 153 -15.883 4.979 -4.641 1.00 0.00 C ATOM 7 ND1 HIS A 153 -16.388 4.871 -5.919 1.00 0.00 N ATOM 8 CD2 HIS A 153 -15.576 6.288 -4.472 1.00 0.00 C ATOM 9 CE1 HIS A 153 -16.385 6.059 -6.495 1.00 0.00 C ATOM 10 NE2 HIS A 153 -15.898 6.935 -5.638 1.00 0.00 N ATOM 0 HA HIS A 153 -16.576 2.986 -1.894 1.00 0.00 H new ATOM 0 HB2 HIS A 153 -14.734 3.795 -3.312 1.00 0.00 H new ATOM 0 HB3 HIS A 153 -15.886 2.892 -4.277 1.00 0.00 H new ATOM 0 HD2 HIS A 153 -15.156 6.738 -3.585 1.00 0.00 H new ATOM 0 HE1 HIS A 153 -16.724 6.276 -7.497 1.00 0.00 H new ATOM 0 HE2 HIS A 153 -15.780 7.933 -5.814 1.00 0.00 H new ATOM 21 N MET A 154 -15.897 4.953 -0.568 1.00 0.00 N ATOM 22 CA MET A 154 -15.644 6.084 0.320 1.00 0.00 C ATOM 23 C MET A 154 -14.373 6.820 -0.085 1.00 0.00 C ATOM 24 O MET A 154 -14.428 7.884 -0.700 1.00 0.00 O ATOM 25 CB MET A 154 -15.533 5.604 1.769 1.00 0.00 C ATOM 26 CG MET A 154 -16.877 5.422 2.454 1.00 0.00 C ATOM 27 SD MET A 154 -16.739 5.371 4.252 1.00 0.00 S ATOM 28 CE MET A 154 -16.044 3.739 4.493 1.00 0.00 C ATOM 0 H MET A 154 -15.537 4.061 -0.229 1.00 0.00 H new ATOM 0 HA MET A 154 -16.482 6.776 0.237 1.00 0.00 H new ATOM 0 HB2 MET A 154 -14.993 4.657 1.789 1.00 0.00 H new ATOM 0 HB3 MET A 154 -14.940 6.321 2.336 1.00 0.00 H new ATOM 0 HG2 MET A 154 -17.540 6.238 2.167 1.00 0.00 H new ATOM 0 HG3 MET A 154 -17.338 4.499 2.102 1.00 0.00 H new ATOM 0 HE1 MET A 154 -15.900 3.559 5.558 1.00 0.00 H new ATOM 0 HE2 MET A 154 -16.724 2.990 4.087 1.00 0.00 H new ATOM 0 HE3 MET A 154 -15.084 3.673 3.981 1.00 0.00 H new ATOM 38 N GLU A 155 -13.228 6.244 0.262 1.00 0.00 N ATOM 39 CA GLU A 155 -11.940 6.845 -0.063 1.00 0.00 C ATOM 40 C GLU A 155 -11.250 6.074 -1.185 1.00 0.00 C ATOM 41 O GLU A 155 -10.689 5.000 -0.961 1.00 0.00 O ATOM 42 CB GLU A 155 -11.041 6.879 1.174 1.00 0.00 C ATOM 43 CG GLU A 155 -11.240 8.116 2.036 1.00 0.00 C ATOM 44 CD GLU A 155 -11.057 7.834 3.514 1.00 0.00 C ATOM 45 OE1 GLU A 155 -10.101 7.110 3.865 1.00 0.00 O ATOM 46 OE2 GLU A 155 -11.868 8.337 4.320 1.00 0.00 O ATOM 0 H GLU A 155 -13.165 5.361 0.769 1.00 0.00 H new ATOM 0 HA GLU A 155 -12.118 7.866 -0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -11.233 5.991 1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -9.999 6.830 0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -10.534 8.887 1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -12.240 8.514 1.867 1.00 0.00 H new ATOM 53 N THR A 156 -11.294 6.629 -2.392 1.00 0.00 N ATOM 54 CA THR A 156 -10.674 5.995 -3.547 1.00 0.00 C ATOM 55 C THR A 156 -9.215 6.419 -3.686 1.00 0.00 C ATOM 56 O THR A 156 -8.919 7.525 -4.137 1.00 0.00 O ATOM 57 CB THR A 156 -11.441 6.352 -4.814 1.00 0.00 C ATOM 58 OG1 THR A 156 -12.801 6.613 -4.523 1.00 0.00 O ATOM 59 CG2 THR A 156 -11.393 5.269 -5.869 1.00 0.00 C ATOM 0 H THR A 156 -11.753 7.517 -2.594 1.00 0.00 H new ATOM 0 HA THR A 156 -10.705 4.915 -3.399 1.00 0.00 H new ATOM 0 HB THR A 156 -10.947 7.240 -5.208 1.00 0.00 H new ATOM 0 HG1 THR A 156 -13.154 7.265 -5.165 1.00 0.00 H new ATOM 0 HG21 THR A 156 -11.959 5.588 -6.744 1.00 0.00 H new ATOM 0 HG22 THR A 156 -10.357 5.084 -6.154 1.00 0.00 H new ATOM 0 HG23 THR A 156 -11.828 4.353 -5.470 1.00 0.00 H new ATOM 67 N LYS A 157 -8.307 5.531 -3.292 1.00 0.00 N ATOM 68 CA LYS A 157 -6.878 5.812 -3.372 1.00 0.00 C ATOM 69 C LYS A 157 -6.087 4.539 -3.650 1.00 0.00 C ATOM 70 O LYS A 157 -5.906 3.703 -2.765 1.00 0.00 O ATOM 71 CB LYS A 157 -6.391 6.457 -2.072 1.00 0.00 C ATOM 72 CG LYS A 157 -6.824 7.904 -1.911 1.00 0.00 C ATOM 73 CD LYS A 157 -6.123 8.566 -0.736 1.00 0.00 C ATOM 74 CE LYS A 157 -6.702 8.102 0.592 1.00 0.00 C ATOM 75 NZ LYS A 157 -6.529 9.126 1.660 1.00 0.00 N ATOM 0 H LYS A 157 -8.536 4.611 -2.914 1.00 0.00 H new ATOM 0 HA LYS A 157 -6.715 6.505 -4.197 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -6.765 5.879 -1.227 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -5.303 6.406 -2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -6.604 8.455 -2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -7.903 7.948 -1.764 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -5.058 8.336 -0.770 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -6.218 9.649 -0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -7.762 7.881 0.469 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -6.216 7.175 0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -6.495 8.658 2.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -5.642 9.646 1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -7.329 9.790 1.637 1.00 0.00 H new ATOM 89 N PHE A 158 -5.620 4.397 -4.886 1.00 0.00 N ATOM 90 CA PHE A 158 -4.849 3.224 -5.284 1.00 0.00 C ATOM 91 C PHE A 158 -3.392 3.594 -5.542 1.00 0.00 C ATOM 92 O PHE A 158 -3.101 4.493 -6.332 1.00 0.00 O ATOM 93 CB PHE A 158 -5.457 2.585 -6.533 1.00 0.00 C ATOM 94 CG PHE A 158 -6.859 2.087 -6.332 1.00 0.00 C ATOM 95 CD1 PHE A 158 -7.888 2.968 -6.046 1.00 0.00 C ATOM 96 CD2 PHE A 158 -7.145 0.735 -6.429 1.00 0.00 C ATOM 97 CE1 PHE A 158 -9.179 2.510 -5.859 1.00 0.00 C ATOM 98 CE2 PHE A 158 -8.435 0.271 -6.244 1.00 0.00 C ATOM 99 CZ PHE A 158 -9.452 1.159 -5.959 1.00 0.00 C ATOM 0 H PHE A 158 -5.762 5.080 -5.630 1.00 0.00 H new ATOM 0 HA PHE A 158 -4.882 2.504 -4.467 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -5.452 3.314 -7.343 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -4.827 1.754 -6.849 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -7.680 4.025 -5.968 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -6.352 0.036 -6.651 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -9.973 3.207 -5.635 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -8.646 -0.785 -6.323 1.00 0.00 H new ATOM 0 HZ PHE A 158 -10.460 0.799 -5.814 1.00 0.00 H new ATOM 109 N VAL A 159 -2.481 2.894 -4.876 1.00 0.00 N ATOM 110 CA VAL A 159 -1.054 3.149 -5.035 1.00 0.00 C ATOM 111 C VAL A 159 -0.371 2.000 -5.768 1.00 0.00 C ATOM 112 O VAL A 159 -0.804 0.852 -5.686 1.00 0.00 O ATOM 113 CB VAL A 159 -0.364 3.355 -3.674 1.00 0.00 C ATOM 114 CG1 VAL A 159 -0.855 4.636 -3.018 1.00 0.00 C ATOM 115 CG2 VAL A 159 -0.601 2.159 -2.767 1.00 0.00 C ATOM 0 H VAL A 159 -2.705 2.145 -4.221 1.00 0.00 H new ATOM 0 HA VAL A 159 -0.959 4.062 -5.623 1.00 0.00 H new ATOM 0 HB VAL A 159 0.709 3.446 -3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -0.357 4.767 -2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 159 -0.628 5.485 -3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -1.932 4.576 -2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 159 -0.105 2.324 -1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 159 -1.671 2.032 -2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 159 -0.197 1.262 -3.235 1.00 0.00 H new ATOM 125 N GLN A 160 0.702 2.320 -6.486 1.00 0.00 N ATOM 126 CA GLN A 160 1.445 1.313 -7.234 1.00 0.00 C ATOM 127 C GLN A 160 2.833 1.112 -6.635 1.00 0.00 C ATOM 128 O GLN A 160 3.668 2.015 -6.654 1.00 0.00 O ATOM 129 CB GLN A 160 1.564 1.723 -8.704 1.00 0.00 C ATOM 130 CG GLN A 160 1.494 0.551 -9.667 1.00 0.00 C ATOM 131 CD GLN A 160 2.456 0.694 -10.831 1.00 0.00 C ATOM 132 OE1 GLN A 160 3.619 1.058 -10.648 1.00 0.00 O ATOM 133 NE2 GLN A 160 1.977 0.406 -12.036 1.00 0.00 N ATOM 0 H GLN A 160 1.075 3.266 -6.565 1.00 0.00 H new ATOM 0 HA GLN A 160 0.900 0.371 -7.172 1.00 0.00 H new ATOM 0 HB2 GLN A 160 0.767 2.427 -8.942 1.00 0.00 H new ATOM 0 HB3 GLN A 160 2.508 2.248 -8.851 1.00 0.00 H new ATOM 0 HG2 GLN A 160 1.715 -0.371 -9.129 1.00 0.00 H new ATOM 0 HG3 GLN A 160 0.477 0.460 -10.050 1.00 0.00 H new ATOM 0 HE21 GLN A 160 1.007 0.108 -12.141 1.00 0.00 H new ATOM 0 HE22 GLN A 160 2.579 0.483 -12.856 1.00 0.00 H new ATOM 142 N ALA A 161 3.069 -0.080 -6.100 1.00 0.00 N ATOM 143 CA ALA A 161 4.349 -0.406 -5.489 1.00 0.00 C ATOM 144 C ALA A 161 5.470 -0.438 -6.521 1.00 0.00 C ATOM 145 O ALA A 161 5.227 -0.623 -7.714 1.00 0.00 O ATOM 146 CB ALA A 161 4.257 -1.746 -4.775 1.00 0.00 C ATOM 0 H ALA A 161 2.387 -0.838 -6.078 1.00 0.00 H new ATOM 0 HA ALA A 161 4.585 0.375 -4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 161 5.219 -1.983 -4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 161 3.492 -1.694 -4.000 1.00 0.00 H new ATOM 0 HB3 ALA A 161 3.994 -2.523 -5.492 1.00 0.00 H new ATOM 152 N LEU A 162 6.701 -0.267 -6.052 1.00 0.00 N ATOM 153 CA LEU A 162 7.866 -0.294 -6.931 1.00 0.00 C ATOM 154 C LEU A 162 8.887 -1.316 -6.439 1.00 0.00 C ATOM 155 O LEU A 162 10.079 -1.207 -6.727 1.00 0.00 O ATOM 156 CB LEU A 162 8.511 1.090 -7.021 1.00 0.00 C ATOM 157 CG LEU A 162 8.606 1.842 -5.694 1.00 0.00 C ATOM 158 CD1 LEU A 162 10.047 2.225 -5.393 1.00 0.00 C ATOM 159 CD2 LEU A 162 7.717 3.076 -5.719 1.00 0.00 C ATOM 0 H LEU A 162 6.919 -0.108 -5.068 1.00 0.00 H new ATOM 0 HA LEU A 162 7.530 -0.586 -7.926 1.00 0.00 H new ATOM 0 HB2 LEU A 162 9.514 0.981 -7.433 1.00 0.00 H new ATOM 0 HB3 LEU A 162 7.941 1.696 -7.725 1.00 0.00 H new ATOM 0 HG LEU A 162 8.258 1.182 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 162 10.091 2.759 -4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 162 10.658 1.324 -5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 162 10.427 2.866 -6.188 1.00 0.00 H new ATOM 0 HD21 LEU A 162 7.796 3.601 -4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 162 8.035 3.737 -6.525 1.00 0.00 H new ATOM 0 HD23 LEU A 162 6.682 2.776 -5.883 1.00 0.00 H new ATOM 171 N PHE A 163 8.410 -2.311 -5.695 1.00 0.00 N ATOM 172 CA PHE A 163 9.273 -3.356 -5.160 1.00 0.00 C ATOM 173 C PHE A 163 8.443 -4.486 -4.558 1.00 0.00 C ATOM 174 O PHE A 163 7.214 -4.425 -4.548 1.00 0.00 O ATOM 175 CB PHE A 163 10.214 -2.778 -4.102 1.00 0.00 C ATOM 176 CG PHE A 163 11.597 -3.364 -4.143 1.00 0.00 C ATOM 177 CD1 PHE A 163 12.465 -3.049 -5.175 1.00 0.00 C ATOM 178 CD2 PHE A 163 12.026 -4.230 -3.150 1.00 0.00 C ATOM 179 CE1 PHE A 163 13.738 -3.586 -5.216 1.00 0.00 C ATOM 180 CE2 PHE A 163 13.298 -4.770 -3.186 1.00 0.00 C ATOM 181 CZ PHE A 163 14.155 -4.448 -4.220 1.00 0.00 C ATOM 0 H PHE A 163 7.425 -2.414 -5.449 1.00 0.00 H new ATOM 0 HA PHE A 163 9.867 -3.760 -5.980 1.00 0.00 H new ATOM 0 HB2 PHE A 163 10.282 -1.699 -4.238 1.00 0.00 H new ATOM 0 HB3 PHE A 163 9.785 -2.948 -3.114 1.00 0.00 H new ATOM 0 HD1 PHE A 163 12.144 -2.376 -5.956 1.00 0.00 H new ATOM 0 HD2 PHE A 163 11.360 -4.486 -2.339 1.00 0.00 H new ATOM 0 HE1 PHE A 163 14.406 -3.332 -6.026 1.00 0.00 H new ATOM 0 HE2 PHE A 163 13.621 -5.443 -2.406 1.00 0.00 H new ATOM 0 HZ PHE A 163 15.149 -4.869 -4.250 1.00 0.00 H new ATOM 191 N ASP A 164 9.119 -5.515 -4.060 1.00 0.00 N ATOM 192 CA ASP A 164 8.440 -6.656 -3.457 1.00 0.00 C ATOM 193 C ASP A 164 8.454 -6.554 -1.935 1.00 0.00 C ATOM 194 O ASP A 164 9.467 -6.191 -1.337 1.00 0.00 O ATOM 195 CB ASP A 164 9.100 -7.962 -3.900 1.00 0.00 C ATOM 196 CG ASP A 164 8.983 -8.192 -5.394 1.00 0.00 C ATOM 197 OD1 ASP A 164 7.843 -8.265 -5.895 1.00 0.00 O ATOM 198 OD2 ASP A 164 10.033 -8.300 -6.062 1.00 0.00 O ATOM 0 H ASP A 164 10.137 -5.583 -4.062 1.00 0.00 H new ATOM 0 HA ASP A 164 7.403 -6.650 -3.794 1.00 0.00 H new ATOM 0 HB2 ASP A 164 10.153 -7.947 -3.619 1.00 0.00 H new ATOM 0 HB3 ASP A 164 8.640 -8.796 -3.370 1.00 0.00 H new ATOM 203 N PHE A 165 7.325 -6.879 -1.312 1.00 0.00 N ATOM 204 CA PHE A 165 7.213 -6.823 0.141 1.00 0.00 C ATOM 205 C PHE A 165 6.734 -8.158 0.701 1.00 0.00 C ATOM 206 O PHE A 165 5.557 -8.507 0.588 1.00 0.00 O ATOM 207 CB PHE A 165 6.249 -5.710 0.556 1.00 0.00 C ATOM 208 CG PHE A 165 6.654 -5.008 1.821 1.00 0.00 C ATOM 209 CD1 PHE A 165 7.581 -3.978 1.791 1.00 0.00 C ATOM 210 CD2 PHE A 165 6.107 -5.375 3.039 1.00 0.00 C ATOM 211 CE1 PHE A 165 7.957 -3.330 2.953 1.00 0.00 C ATOM 212 CE2 PHE A 165 6.478 -4.732 4.204 1.00 0.00 C ATOM 213 CZ PHE A 165 7.404 -3.707 4.161 1.00 0.00 C ATOM 0 H PHE A 165 6.477 -7.183 -1.790 1.00 0.00 H new ATOM 0 HA PHE A 165 8.201 -6.611 0.549 1.00 0.00 H new ATOM 0 HB2 PHE A 165 6.181 -4.979 -0.250 1.00 0.00 H new ATOM 0 HB3 PHE A 165 5.253 -6.133 0.687 1.00 0.00 H new ATOM 0 HD1 PHE A 165 8.015 -3.678 0.849 1.00 0.00 H new ATOM 0 HD2 PHE A 165 5.381 -6.174 3.079 1.00 0.00 H new ATOM 0 HE1 PHE A 165 8.682 -2.530 2.916 1.00 0.00 H new ATOM 0 HE2 PHE A 165 6.045 -5.030 5.147 1.00 0.00 H new ATOM 0 HZ PHE A 165 7.695 -3.202 5.070 1.00 0.00 H new ATOM 223 N ASN A 166 7.654 -8.903 1.307 1.00 0.00 N ATOM 224 CA ASN A 166 7.329 -10.199 1.887 1.00 0.00 C ATOM 225 C ASN A 166 7.377 -10.137 3.412 1.00 0.00 C ATOM 226 O ASN A 166 8.349 -10.573 4.029 1.00 0.00 O ATOM 227 CB ASN A 166 8.298 -11.267 1.377 1.00 0.00 C ATOM 228 CG ASN A 166 7.948 -12.653 1.882 1.00 0.00 C ATOM 229 OD1 ASN A 166 6.877 -13.184 1.582 1.00 0.00 O ATOM 230 ND2 ASN A 166 8.851 -13.249 2.653 1.00 0.00 N ATOM 0 H ASN A 166 8.631 -8.629 1.408 1.00 0.00 H new ATOM 0 HA ASN A 166 6.316 -10.464 1.582 1.00 0.00 H new ATOM 0 HB2 ASN A 166 8.292 -11.268 0.287 1.00 0.00 H new ATOM 0 HB3 ASN A 166 9.311 -11.014 1.690 1.00 0.00 H new ATOM 0 HD21 ASN A 166 8.670 -14.183 3.021 1.00 0.00 H new ATOM 0 HD22 ASN A 166 9.725 -12.773 2.876 1.00 0.00 H new ATOM 237 N PRO A 167 6.323 -9.589 4.041 1.00 0.00 N ATOM 238 CA PRO A 167 6.247 -9.471 5.498 1.00 0.00 C ATOM 239 C PRO A 167 5.927 -10.798 6.176 1.00 0.00 C ATOM 240 O PRO A 167 4.848 -11.359 5.985 1.00 0.00 O ATOM 241 CB PRO A 167 5.109 -8.475 5.708 1.00 0.00 C ATOM 242 CG PRO A 167 4.227 -8.653 4.520 1.00 0.00 C ATOM 243 CD PRO A 167 5.122 -9.045 3.380 1.00 0.00 C ATOM 0 HA PRO A 167 7.196 -9.157 5.932 1.00 0.00 H new ATOM 0 HB2 PRO A 167 4.571 -8.677 6.634 1.00 0.00 H new ATOM 0 HB3 PRO A 167 5.484 -7.454 5.774 1.00 0.00 H new ATOM 0 HG2 PRO A 167 3.476 -9.421 4.706 1.00 0.00 H new ATOM 0 HG3 PRO A 167 3.691 -7.731 4.293 1.00 0.00 H new ATOM 0 HD2 PRO A 167 4.649 -9.788 2.738 1.00 0.00 H new ATOM 0 HD3 PRO A 167 5.366 -8.189 2.751 1.00 0.00 H new ATOM 251 N GLN A 168 6.870 -11.290 6.971 1.00 0.00 N ATOM 252 CA GLN A 168 6.688 -12.550 7.683 1.00 0.00 C ATOM 253 C GLN A 168 5.838 -12.348 8.932 1.00 0.00 C ATOM 254 O GLN A 168 5.170 -13.273 9.396 1.00 0.00 O ATOM 255 CB GLN A 168 8.046 -13.144 8.064 1.00 0.00 C ATOM 256 CG GLN A 168 8.964 -12.160 8.770 1.00 0.00 C ATOM 257 CD GLN A 168 9.781 -12.811 9.869 1.00 0.00 C ATOM 258 OE1 GLN A 168 9.250 -13.187 10.915 1.00 0.00 O ATOM 259 NE2 GLN A 168 11.082 -12.947 9.637 1.00 0.00 N ATOM 0 H GLN A 168 7.768 -10.836 7.139 1.00 0.00 H new ATOM 0 HA GLN A 168 6.170 -13.244 7.021 1.00 0.00 H new ATOM 0 HB2 GLN A 168 7.887 -14.007 8.710 1.00 0.00 H new ATOM 0 HB3 GLN A 168 8.540 -13.507 7.163 1.00 0.00 H new ATOM 0 HG2 GLN A 168 9.637 -11.709 8.041 1.00 0.00 H new ATOM 0 HG3 GLN A 168 8.367 -11.353 9.195 1.00 0.00 H new ATOM 0 HE21 GLN A 168 11.480 -12.621 8.756 1.00 0.00 H new ATOM 0 HE22 GLN A 168 11.683 -13.377 10.340 1.00 0.00 H new ATOM 268 N GLU A 169 5.867 -11.134 9.474 1.00 0.00 N ATOM 269 CA GLU A 169 5.098 -10.812 10.669 1.00 0.00 C ATOM 270 C GLU A 169 3.731 -10.247 10.300 1.00 0.00 C ATOM 271 O GLU A 169 3.449 -9.994 9.127 1.00 0.00 O ATOM 272 CB GLU A 169 5.861 -9.807 11.536 1.00 0.00 C ATOM 273 CG GLU A 169 7.267 -10.256 11.894 1.00 0.00 C ATOM 274 CD GLU A 169 8.180 -9.096 12.237 1.00 0.00 C ATOM 275 OE1 GLU A 169 8.082 -8.578 13.369 1.00 0.00 O ATOM 276 OE2 GLU A 169 8.994 -8.705 11.374 1.00 0.00 O ATOM 0 H GLU A 169 6.415 -10.358 9.104 1.00 0.00 H new ATOM 0 HA GLU A 169 4.950 -11.732 11.235 1.00 0.00 H new ATOM 0 HB2 GLU A 169 5.916 -8.854 11.010 1.00 0.00 H new ATOM 0 HB3 GLU A 169 5.300 -9.632 12.454 1.00 0.00 H new ATOM 0 HG2 GLU A 169 7.221 -10.940 12.741 1.00 0.00 H new ATOM 0 HG3 GLU A 169 7.691 -10.812 11.058 1.00 0.00 H new ATOM 283 N SER A 170 2.884 -10.051 11.305 1.00 0.00 N ATOM 284 CA SER A 170 1.546 -9.517 11.082 1.00 0.00 C ATOM 285 C SER A 170 1.545 -7.995 11.165 1.00 0.00 C ATOM 286 O SER A 170 2.357 -7.400 11.875 1.00 0.00 O ATOM 287 CB SER A 170 0.567 -10.097 12.104 1.00 0.00 C ATOM 288 OG SER A 170 0.431 -11.498 11.945 1.00 0.00 O ATOM 0 H SER A 170 3.100 -10.254 12.281 1.00 0.00 H new ATOM 0 HA SER A 170 1.229 -9.806 10.080 1.00 0.00 H new ATOM 0 HB2 SER A 170 0.916 -9.875 13.112 1.00 0.00 H new ATOM 0 HB3 SER A 170 -0.406 -9.619 11.991 1.00 0.00 H new ATOM 0 HG SER A 170 -0.199 -11.843 12.612 1.00 0.00 H new ATOM 294 N GLY A 171 0.628 -7.370 10.435 1.00 0.00 N ATOM 295 CA GLY A 171 0.536 -5.922 10.436 1.00 0.00 C ATOM 296 C GLY A 171 0.913 -5.320 9.098 1.00 0.00 C ATOM 297 O GLY A 171 0.324 -4.329 8.667 1.00 0.00 O ATOM 0 H GLY A 171 -0.055 -7.841 9.841 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -0.481 -5.625 10.692 1.00 0.00 H new ATOM 0 HA3 GLY A 171 1.189 -5.519 11.210 1.00 0.00 H new ATOM 301 N GLU A 172 1.896 -5.924 8.439 1.00 0.00 N ATOM 302 CA GLU A 172 2.353 -5.445 7.140 1.00 0.00 C ATOM 303 C GLU A 172 1.629 -6.171 6.011 1.00 0.00 C ATOM 304 O GLU A 172 1.456 -7.389 6.056 1.00 0.00 O ATOM 305 CB GLU A 172 3.864 -5.643 7.003 1.00 0.00 C ATOM 306 CG GLU A 172 4.671 -4.887 8.045 1.00 0.00 C ATOM 307 CD GLU A 172 5.853 -5.686 8.560 1.00 0.00 C ATOM 308 OE1 GLU A 172 6.670 -6.139 7.730 1.00 0.00 O ATOM 309 OE2 GLU A 172 5.961 -5.860 9.792 1.00 0.00 O ATOM 0 H GLU A 172 2.392 -6.746 8.783 1.00 0.00 H new ATOM 0 HA GLU A 172 2.126 -4.381 7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 172 4.092 -6.706 7.080 1.00 0.00 H new ATOM 0 HB3 GLU A 172 4.176 -5.321 6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 172 5.029 -3.952 7.614 1.00 0.00 H new ATOM 0 HG3 GLU A 172 4.023 -4.624 8.881 1.00 0.00 H new ATOM 316 N LEU A 173 1.201 -5.419 5.001 1.00 0.00 N ATOM 317 CA LEU A 173 0.490 -6.003 3.870 1.00 0.00 C ATOM 318 C LEU A 173 1.472 -6.629 2.879 1.00 0.00 C ATOM 319 O LEU A 173 2.588 -6.141 2.707 1.00 0.00 O ATOM 320 CB LEU A 173 -0.390 -4.941 3.184 1.00 0.00 C ATOM 321 CG LEU A 173 -0.258 -4.816 1.663 1.00 0.00 C ATOM 322 CD1 LEU A 173 -1.093 -5.885 0.972 1.00 0.00 C ATOM 323 CD2 LEU A 173 -0.683 -3.431 1.205 1.00 0.00 C ATOM 0 H LEU A 173 1.334 -4.409 4.943 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.160 -6.796 4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 173 -1.432 -5.160 3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 173 -0.160 -3.972 3.626 1.00 0.00 H new ATOM 0 HG LEU A 173 0.787 -4.962 1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -0.990 -5.785 -0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.747 -6.872 1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -2.140 -5.765 1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -0.583 -3.359 0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -1.722 -3.258 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -0.049 -2.681 1.678 1.00 0.00 H new ATOM 335 N ALA A 174 1.048 -7.708 2.229 1.00 0.00 N ATOM 336 CA ALA A 174 1.890 -8.391 1.253 1.00 0.00 C ATOM 337 C ALA A 174 1.597 -7.890 -0.156 1.00 0.00 C ATOM 338 O ALA A 174 0.502 -8.095 -0.681 1.00 0.00 O ATOM 339 CB ALA A 174 1.682 -9.896 1.337 1.00 0.00 C ATOM 0 H ALA A 174 0.128 -8.128 2.360 1.00 0.00 H new ATOM 0 HA ALA A 174 2.932 -8.170 1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 174 2.317 -10.393 0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 174 1.942 -10.244 2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 174 0.638 -10.131 1.132 1.00 0.00 H new ATOM 345 N PHE A 175 2.576 -7.226 -0.760 1.00 0.00 N ATOM 346 CA PHE A 175 2.413 -6.690 -2.108 1.00 0.00 C ATOM 347 C PHE A 175 3.693 -6.853 -2.922 1.00 0.00 C ATOM 348 O PHE A 175 4.768 -7.088 -2.371 1.00 0.00 O ATOM 349 CB PHE A 175 2.023 -5.212 -2.042 1.00 0.00 C ATOM 350 CG PHE A 175 2.964 -4.372 -1.223 1.00 0.00 C ATOM 351 CD1 PHE A 175 3.095 -4.583 0.141 1.00 0.00 C ATOM 352 CD2 PHE A 175 3.717 -3.373 -1.817 1.00 0.00 C ATOM 353 CE1 PHE A 175 3.959 -3.812 0.896 1.00 0.00 C ATOM 354 CE2 PHE A 175 4.580 -2.598 -1.069 1.00 0.00 C ATOM 355 CZ PHE A 175 4.702 -2.818 0.291 1.00 0.00 C ATOM 0 H PHE A 175 3.488 -7.046 -0.340 1.00 0.00 H new ATOM 0 HA PHE A 175 1.620 -7.251 -2.602 1.00 0.00 H new ATOM 0 HB2 PHE A 175 1.981 -4.811 -3.055 1.00 0.00 H new ATOM 0 HB3 PHE A 175 1.020 -5.129 -1.624 1.00 0.00 H new ATOM 0 HD1 PHE A 175 2.515 -5.359 0.619 1.00 0.00 H new ATOM 0 HD2 PHE A 175 3.628 -3.198 -2.879 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.053 -3.987 1.958 1.00 0.00 H new ATOM 0 HE2 PHE A 175 5.159 -1.821 -1.545 1.00 0.00 H new ATOM 0 HZ PHE A 175 5.377 -2.213 0.879 1.00 0.00 H new ATOM 365 N LYS A 176 3.565 -6.723 -4.239 1.00 0.00 N ATOM 366 CA LYS A 176 4.707 -6.852 -5.136 1.00 0.00 C ATOM 367 C LYS A 176 4.872 -5.597 -5.987 1.00 0.00 C ATOM 368 O LYS A 176 4.140 -4.622 -5.819 1.00 0.00 O ATOM 369 CB LYS A 176 4.542 -8.078 -6.037 1.00 0.00 C ATOM 370 CG LYS A 176 3.273 -8.055 -6.872 1.00 0.00 C ATOM 371 CD LYS A 176 3.550 -7.588 -8.294 1.00 0.00 C ATOM 372 CE LYS A 176 3.567 -8.754 -9.271 1.00 0.00 C ATOM 373 NZ LYS A 176 2.235 -8.974 -9.896 1.00 0.00 N ATOM 0 H LYS A 176 2.681 -6.528 -4.708 1.00 0.00 H new ATOM 0 HA LYS A 176 5.603 -6.978 -4.528 1.00 0.00 H new ATOM 0 HB2 LYS A 176 5.403 -8.148 -6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 176 4.543 -8.975 -5.418 1.00 0.00 H new ATOM 0 HG2 LYS A 176 2.833 -9.052 -6.894 1.00 0.00 H new ATOM 0 HG3 LYS A 176 2.542 -7.394 -6.407 1.00 0.00 H new ATOM 0 HD2 LYS A 176 2.788 -6.869 -8.597 1.00 0.00 H new ATOM 0 HD3 LYS A 176 4.508 -7.070 -8.328 1.00 0.00 H new ATOM 0 HE2 LYS A 176 4.306 -8.565 -10.049 1.00 0.00 H new ATOM 0 HE3 LYS A 176 3.878 -9.660 -8.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 2.289 -9.777 -10.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 1.534 -9.180 -9.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 1.950 -8.119 -10.415 1.00 0.00 H new ATOM 387 N ARG A 177 5.841 -5.626 -6.896 1.00 0.00 N ATOM 388 CA ARG A 177 6.104 -4.488 -7.770 1.00 0.00 C ATOM 389 C ARG A 177 4.878 -4.140 -8.610 1.00 0.00 C ATOM 390 O ARG A 177 4.178 -5.023 -9.104 1.00 0.00 O ATOM 391 CB ARG A 177 7.295 -4.785 -8.682 1.00 0.00 C ATOM 392 CG ARG A 177 8.441 -3.801 -8.524 1.00 0.00 C ATOM 393 CD ARG A 177 9.214 -3.628 -9.821 1.00 0.00 C ATOM 394 NE ARG A 177 10.546 -4.224 -9.747 1.00 0.00 N ATOM 395 CZ ARG A 177 10.787 -5.525 -9.893 1.00 0.00 C ATOM 396 NH1 ARG A 177 9.790 -6.370 -10.121 1.00 0.00 N ATOM 397 NH2 ARG A 177 12.029 -5.984 -9.811 1.00 0.00 N ATOM 0 H ARG A 177 6.457 -6.425 -7.047 1.00 0.00 H new ATOM 0 HA ARG A 177 6.339 -3.630 -7.140 1.00 0.00 H new ATOM 0 HB2 ARG A 177 7.659 -5.791 -8.474 1.00 0.00 H new ATOM 0 HB3 ARG A 177 6.959 -4.776 -9.719 1.00 0.00 H new ATOM 0 HG2 ARG A 177 8.050 -2.836 -8.201 1.00 0.00 H new ATOM 0 HG3 ARG A 177 9.115 -4.150 -7.742 1.00 0.00 H new ATOM 0 HD2 ARG A 177 8.657 -4.085 -10.639 1.00 0.00 H new ATOM 0 HD3 ARG A 177 9.304 -2.566 -10.051 1.00 0.00 H new ATOM 0 HE ARG A 177 11.339 -3.606 -9.573 1.00 0.00 H new ATOM 0 HH11 ARG A 177 8.833 -6.024 -10.185 1.00 0.00 H new ATOM 0 HH12 ARG A 177 9.981 -7.366 -10.232 1.00 0.00 H new ATOM 0 HH21 ARG A 177 12.800 -5.340 -9.636 1.00 0.00 H new ATOM 0 HH22 ARG A 177 12.213 -6.981 -9.923 1.00 0.00 H new ATOM 411 N GLY A 178 4.627 -2.844 -8.763 1.00 0.00 N ATOM 412 CA GLY A 178 3.491 -2.391 -9.541 1.00 0.00 C ATOM 413 C GLY A 178 2.174 -2.928 -9.017 1.00 0.00 C ATOM 414 O GLY A 178 1.182 -2.979 -9.744 1.00 0.00 O ATOM 0 H GLY A 178 5.193 -2.097 -8.360 1.00 0.00 H new ATOM 0 HA2 GLY A 178 3.463 -1.301 -9.535 1.00 0.00 H new ATOM 0 HA3 GLY A 178 3.619 -2.701 -10.578 1.00 0.00 H new ATOM 418 N ASP A 179 2.166 -3.336 -7.753 1.00 0.00 N ATOM 419 CA ASP A 179 0.967 -3.873 -7.132 1.00 0.00 C ATOM 420 C ASP A 179 0.010 -2.755 -6.733 1.00 0.00 C ATOM 421 O ASP A 179 0.280 -2.001 -5.798 1.00 0.00 O ATOM 422 CB ASP A 179 1.338 -4.708 -5.908 1.00 0.00 C ATOM 423 CG ASP A 179 0.130 -5.351 -5.257 1.00 0.00 C ATOM 424 OD1 ASP A 179 -0.744 -4.608 -4.762 1.00 0.00 O ATOM 425 OD2 ASP A 179 0.055 -6.597 -5.244 1.00 0.00 O ATOM 0 H ASP A 179 2.980 -3.304 -7.139 1.00 0.00 H new ATOM 0 HA ASP A 179 0.463 -4.509 -7.859 1.00 0.00 H new ATOM 0 HB2 ASP A 179 2.045 -5.484 -6.202 1.00 0.00 H new ATOM 0 HB3 ASP A 179 1.845 -4.075 -5.180 1.00 0.00 H new ATOM 430 N VAL A 180 -1.110 -2.657 -7.441 1.00 0.00 N ATOM 431 CA VAL A 180 -2.106 -1.634 -7.149 1.00 0.00 C ATOM 432 C VAL A 180 -2.800 -1.924 -5.823 1.00 0.00 C ATOM 433 O VAL A 180 -3.764 -2.689 -5.772 1.00 0.00 O ATOM 434 CB VAL A 180 -3.164 -1.543 -8.266 1.00 0.00 C ATOM 435 CG1 VAL A 180 -4.127 -0.393 -8.001 1.00 0.00 C ATOM 436 CG2 VAL A 180 -2.497 -1.385 -9.624 1.00 0.00 C ATOM 0 H VAL A 180 -1.350 -3.272 -8.219 1.00 0.00 H new ATOM 0 HA VAL A 180 -1.582 -0.681 -7.086 1.00 0.00 H new ATOM 0 HB VAL A 180 -3.736 -2.471 -8.273 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -4.866 -0.346 -8.801 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -4.633 -0.554 -7.049 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -3.572 0.545 -7.963 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -3.261 -1.323 -10.399 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -1.897 -0.475 -9.631 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -1.854 -2.244 -9.816 1.00 0.00 H new ATOM 446 N ILE A 181 -2.299 -1.317 -4.752 1.00 0.00 N ATOM 447 CA ILE A 181 -2.868 -1.523 -3.427 1.00 0.00 C ATOM 448 C ILE A 181 -3.869 -0.428 -3.074 1.00 0.00 C ATOM 449 O ILE A 181 -3.610 0.757 -3.283 1.00 0.00 O ATOM 450 CB ILE A 181 -1.772 -1.566 -2.344 1.00 0.00 C ATOM 451 CG1 ILE A 181 -0.669 -2.549 -2.739 1.00 0.00 C ATOM 452 CG2 ILE A 181 -2.369 -1.948 -0.997 1.00 0.00 C ATOM 453 CD1 ILE A 181 0.691 -2.188 -2.182 1.00 0.00 C ATOM 0 H ILE A 181 -1.502 -0.680 -4.776 1.00 0.00 H new ATOM 0 HA ILE A 181 -3.382 -2.484 -3.455 1.00 0.00 H new ATOM 0 HB ILE A 181 -1.333 -0.572 -2.257 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -0.941 -3.546 -2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -0.607 -2.595 -3.826 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -1.581 -1.974 -0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -3.121 -1.213 -0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -2.833 -2.932 -1.070 1.00 0.00 H new ATOM 0 HD11 ILE A 181 1.424 -2.929 -2.503 1.00 0.00 H new ATOM 0 HD12 ILE A 181 0.985 -1.204 -2.549 1.00 0.00 H new ATOM 0 HD13 ILE A 181 0.645 -2.171 -1.093 1.00 0.00 H new ATOM 465 N THR A 182 -5.011 -0.835 -2.529 1.00 0.00 N ATOM 466 CA THR A 182 -6.052 0.107 -2.138 1.00 0.00 C ATOM 467 C THR A 182 -5.734 0.716 -0.777 1.00 0.00 C ATOM 468 O THR A 182 -5.914 0.076 0.258 1.00 0.00 O ATOM 469 CB THR A 182 -7.414 -0.588 -2.095 1.00 0.00 C ATOM 470 OG1 THR A 182 -7.521 -1.543 -3.135 1.00 0.00 O ATOM 471 CG2 THR A 182 -8.578 0.368 -2.225 1.00 0.00 C ATOM 0 H THR A 182 -5.239 -1.813 -2.348 1.00 0.00 H new ATOM 0 HA THR A 182 -6.089 0.905 -2.880 1.00 0.00 H new ATOM 0 HB THR A 182 -7.466 -1.064 -1.116 1.00 0.00 H new ATOM 0 HG1 THR A 182 -7.102 -2.383 -2.853 1.00 0.00 H new ATOM 0 HG21 THR A 182 -9.513 -0.190 -2.187 1.00 0.00 H new ATOM 0 HG22 THR A 182 -8.551 1.087 -1.407 1.00 0.00 H new ATOM 0 HG23 THR A 182 -8.510 0.897 -3.176 1.00 0.00 H new ATOM 479 N LEU A 183 -5.254 1.956 -0.786 1.00 0.00 N ATOM 480 CA LEU A 183 -4.901 2.651 0.448 1.00 0.00 C ATOM 481 C LEU A 183 -6.038 2.599 1.463 1.00 0.00 C ATOM 482 O LEU A 183 -7.151 3.044 1.188 1.00 0.00 O ATOM 483 CB LEU A 183 -4.540 4.107 0.153 1.00 0.00 C ATOM 484 CG LEU A 183 -3.941 4.874 1.332 1.00 0.00 C ATOM 485 CD1 LEU A 183 -2.643 4.224 1.793 1.00 0.00 C ATOM 486 CD2 LEU A 183 -3.707 6.328 0.955 1.00 0.00 C ATOM 0 H LEU A 183 -5.100 2.501 -1.635 1.00 0.00 H new ATOM 0 HA LEU A 183 -4.037 2.143 0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -3.831 4.130 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -5.437 4.628 -0.182 1.00 0.00 H new ATOM 0 HG LEU A 183 -4.650 4.842 2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -2.233 4.785 2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -2.840 3.198 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -1.925 4.223 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -3.280 6.860 1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -3.018 6.379 0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -4.655 6.789 0.677 1.00 0.00 H new ATOM 498 N ILE A 184 -5.744 2.058 2.641 1.00 0.00 N ATOM 499 CA ILE A 184 -6.736 1.955 3.703 1.00 0.00 C ATOM 500 C ILE A 184 -6.717 3.205 4.577 1.00 0.00 C ATOM 501 O ILE A 184 -7.760 3.666 5.045 1.00 0.00 O ATOM 502 CB ILE A 184 -6.487 0.720 4.594 1.00 0.00 C ATOM 503 CG1 ILE A 184 -6.375 -0.544 3.741 1.00 0.00 C ATOM 504 CG2 ILE A 184 -7.598 0.573 5.625 1.00 0.00 C ATOM 505 CD1 ILE A 184 -5.682 -1.686 4.453 1.00 0.00 C ATOM 0 H ILE A 184 -4.826 1.684 2.883 1.00 0.00 H new ATOM 0 HA ILE A 184 -7.709 1.853 3.223 1.00 0.00 H new ATOM 0 HB ILE A 184 -5.544 0.862 5.122 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -7.374 -0.863 3.443 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -5.829 -0.310 2.827 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -7.406 -0.303 6.244 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -7.630 1.462 6.254 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -8.554 0.454 5.115 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -5.636 -2.552 3.793 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -4.671 -1.384 4.727 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.240 -1.946 5.353 1.00 0.00 H new ATOM 517 N ASN A 185 -5.523 3.752 4.791 1.00 0.00 N ATOM 518 CA ASN A 185 -5.360 4.952 5.605 1.00 0.00 C ATOM 519 C ASN A 185 -3.893 5.358 5.690 1.00 0.00 C ATOM 520 O ASN A 185 -3.013 4.649 5.202 1.00 0.00 O ATOM 521 CB ASN A 185 -5.924 4.727 7.009 1.00 0.00 C ATOM 522 CG ASN A 185 -5.469 3.413 7.612 1.00 0.00 C ATOM 523 OD1 ASN A 185 -6.256 2.476 7.753 1.00 0.00 O ATOM 524 ND2 ASN A 185 -4.194 3.339 7.972 1.00 0.00 N ATOM 0 H ASN A 185 -4.652 3.381 4.410 1.00 0.00 H new ATOM 0 HA ASN A 185 -5.914 5.760 5.127 1.00 0.00 H new ATOM 0 HB2 ASN A 185 -5.615 5.547 7.657 1.00 0.00 H new ATOM 0 HB3 ASN A 185 -7.013 4.746 6.967 1.00 0.00 H new ATOM 0 HD21 ASN A 185 -3.830 2.480 8.384 1.00 0.00 H new ATOM 0 HD22 ASN A 185 -3.578 4.141 7.836 1.00 0.00 H new ATOM 531 N LYS A 186 -3.637 6.502 6.316 1.00 0.00 N ATOM 532 CA LYS A 186 -2.279 7.004 6.472 1.00 0.00 C ATOM 533 C LYS A 186 -1.952 7.225 7.944 1.00 0.00 C ATOM 534 O LYS A 186 -1.751 8.357 8.385 1.00 0.00 O ATOM 535 CB LYS A 186 -2.103 8.315 5.700 1.00 0.00 C ATOM 536 CG LYS A 186 -1.850 8.119 4.215 1.00 0.00 C ATOM 537 CD LYS A 186 -2.066 9.409 3.439 1.00 0.00 C ATOM 538 CE LYS A 186 -2.850 9.165 2.160 1.00 0.00 C ATOM 539 NZ LYS A 186 -2.928 10.388 1.315 1.00 0.00 N ATOM 0 H LYS A 186 -4.356 7.100 6.724 1.00 0.00 H new ATOM 0 HA LYS A 186 -1.594 6.258 6.069 1.00 0.00 H new ATOM 0 HB2 LYS A 186 -2.996 8.926 5.830 1.00 0.00 H new ATOM 0 HB3 LYS A 186 -1.271 8.872 6.131 1.00 0.00 H new ATOM 0 HG2 LYS A 186 -0.830 7.767 4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 186 -2.515 7.346 3.830 1.00 0.00 H new ATOM 0 HD2 LYS A 186 -2.600 10.125 4.063 1.00 0.00 H new ATOM 0 HD3 LYS A 186 -1.101 9.855 3.196 1.00 0.00 H new ATOM 0 HE2 LYS A 186 -2.379 8.362 1.593 1.00 0.00 H new ATOM 0 HE3 LYS A 186 -3.857 8.831 2.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 -3.471 10.180 0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 -3.400 11.147 1.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 -1.968 10.692 1.055 1.00 0.00 H new ATOM 553 N ASP A 187 -1.898 6.136 8.702 1.00 0.00 N ATOM 554 CA ASP A 187 -1.596 6.214 10.125 1.00 0.00 C ATOM 555 C ASP A 187 -0.237 6.870 10.364 1.00 0.00 C ATOM 556 O ASP A 187 0.043 7.351 11.463 1.00 0.00 O ATOM 557 CB ASP A 187 -1.617 4.817 10.750 1.00 0.00 C ATOM 558 CG ASP A 187 -2.996 4.429 11.249 1.00 0.00 C ATOM 559 OD1 ASP A 187 -3.990 5.000 10.753 1.00 0.00 O ATOM 560 OD2 ASP A 187 -3.081 3.553 12.136 1.00 0.00 O ATOM 0 H ASP A 187 -2.059 5.190 8.355 1.00 0.00 H new ATOM 0 HA ASP A 187 -2.362 6.829 10.597 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.281 4.087 10.013 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -0.910 4.782 11.579 1.00 0.00 H new ATOM 565 N ASP A 188 0.599 6.890 9.331 1.00 0.00 N ATOM 566 CA ASP A 188 1.924 7.491 9.434 1.00 0.00 C ATOM 567 C ASP A 188 2.375 8.038 8.081 1.00 0.00 C ATOM 568 O ASP A 188 2.265 7.356 7.064 1.00 0.00 O ATOM 569 CB ASP A 188 2.935 6.465 9.947 1.00 0.00 C ATOM 570 CG ASP A 188 4.212 7.112 10.450 1.00 0.00 C ATOM 571 OD1 ASP A 188 4.168 7.758 11.517 1.00 0.00 O ATOM 572 OD2 ASP A 188 5.253 6.973 9.774 1.00 0.00 O ATOM 0 H ASP A 188 0.383 6.498 8.415 1.00 0.00 H new ATOM 0 HA ASP A 188 1.869 8.318 10.142 1.00 0.00 H new ATOM 0 HB2 ASP A 188 2.483 5.885 10.752 1.00 0.00 H new ATOM 0 HB3 ASP A 188 3.176 5.765 9.147 1.00 0.00 H new ATOM 577 N PRO A 189 2.894 9.280 8.048 1.00 0.00 N ATOM 578 CA PRO A 189 3.359 9.916 6.810 1.00 0.00 C ATOM 579 C PRO A 189 4.245 8.999 5.972 1.00 0.00 C ATOM 580 O PRO A 189 4.336 9.157 4.755 1.00 0.00 O ATOM 581 CB PRO A 189 4.154 11.139 7.296 1.00 0.00 C ATOM 582 CG PRO A 189 4.243 11.010 8.783 1.00 0.00 C ATOM 583 CD PRO A 189 3.076 10.166 9.202 1.00 0.00 C ATOM 0 HA PRO A 189 2.524 10.171 6.157 1.00 0.00 H new ATOM 0 HB2 PRO A 189 5.147 11.162 6.847 1.00 0.00 H new ATOM 0 HB3 PRO A 189 3.654 12.066 7.014 1.00 0.00 H new ATOM 0 HG2 PRO A 189 5.184 10.546 9.078 1.00 0.00 H new ATOM 0 HG3 PRO A 189 4.207 11.989 9.261 1.00 0.00 H new ATOM 0 HD2 PRO A 189 3.286 9.607 10.114 1.00 0.00 H new ATOM 0 HD3 PRO A 189 2.188 10.768 9.395 1.00 0.00 H new ATOM 591 N ASN A 190 4.898 8.046 6.626 1.00 0.00 N ATOM 592 CA ASN A 190 5.776 7.113 5.929 1.00 0.00 C ATOM 593 C ASN A 190 5.108 5.761 5.739 1.00 0.00 C ATOM 594 O ASN A 190 5.179 5.167 4.664 1.00 0.00 O ATOM 595 CB ASN A 190 7.081 6.928 6.703 1.00 0.00 C ATOM 596 CG ASN A 190 8.104 7.988 6.365 1.00 0.00 C ATOM 597 OD1 ASN A 190 8.452 8.825 7.198 1.00 0.00 O ATOM 598 ND2 ASN A 190 8.593 7.956 5.132 1.00 0.00 N ATOM 0 H ASN A 190 4.837 7.899 7.633 1.00 0.00 H new ATOM 0 HA ASN A 190 5.990 7.536 4.948 1.00 0.00 H new ATOM 0 HB2 ASN A 190 6.873 6.955 7.773 1.00 0.00 H new ATOM 0 HB3 ASN A 190 7.495 5.944 6.483 1.00 0.00 H new ATOM 0 HD21 ASN A 190 9.287 8.644 4.841 1.00 0.00 H new ATOM 0 HD22 ASN A 190 8.275 7.243 4.475 1.00 0.00 H new ATOM 605 N TRP A 191 4.469 5.274 6.793 1.00 0.00 N ATOM 606 CA TRP A 191 3.798 3.984 6.750 1.00 0.00 C ATOM 607 C TRP A 191 2.325 4.138 6.404 1.00 0.00 C ATOM 608 O TRP A 191 1.536 4.651 7.197 1.00 0.00 O ATOM 609 CB TRP A 191 3.956 3.268 8.091 1.00 0.00 C ATOM 610 CG TRP A 191 5.267 2.557 8.227 1.00 0.00 C ATOM 611 CD1 TRP A 191 6.471 3.115 8.547 1.00 0.00 C ATOM 612 CD2 TRP A 191 5.509 1.158 8.040 1.00 0.00 C ATOM 613 NE1 TRP A 191 7.446 2.148 8.572 1.00 0.00 N ATOM 614 CE2 TRP A 191 6.881 0.939 8.264 1.00 0.00 C ATOM 615 CE3 TRP A 191 4.697 0.070 7.705 1.00 0.00 C ATOM 616 CZ2 TRP A 191 7.458 -0.323 8.163 1.00 0.00 C ATOM 617 CZ3 TRP A 191 5.272 -1.182 7.607 1.00 0.00 C ATOM 618 CH2 TRP A 191 6.641 -1.371 7.835 1.00 0.00 C ATOM 0 H TRP A 191 4.401 5.755 7.690 1.00 0.00 H new ATOM 0 HA TRP A 191 4.263 3.385 5.967 1.00 0.00 H new ATOM 0 HB2 TRP A 191 3.858 3.995 8.898 1.00 0.00 H new ATOM 0 HB3 TRP A 191 3.146 2.549 8.210 1.00 0.00 H new ATOM 0 HD1 TRP A 191 6.633 4.163 8.751 1.00 0.00 H new ATOM 0 HE1 TRP A 191 8.431 2.305 8.785 1.00 0.00 H new ATOM 0 HE3 TRP A 191 3.641 0.206 7.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 191 8.514 -0.471 8.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 191 4.655 -2.030 7.350 1.00 0.00 H new ATOM 0 HH2 TRP A 191 7.060 -2.363 7.750 1.00 0.00 H new ATOM 629 N TRP A 192 1.961 3.688 5.207 1.00 0.00 N ATOM 630 CA TRP A 192 0.583 3.773 4.744 1.00 0.00 C ATOM 631 C TRP A 192 -0.066 2.394 4.716 1.00 0.00 C ATOM 632 O TRP A 192 0.569 1.405 4.350 1.00 0.00 O ATOM 633 CB TRP A 192 0.529 4.393 3.346 1.00 0.00 C ATOM 634 CG TRP A 192 0.872 5.853 3.324 1.00 0.00 C ATOM 635 CD1 TRP A 192 1.319 6.608 4.369 1.00 0.00 C ATOM 636 CD2 TRP A 192 0.791 6.732 2.197 1.00 0.00 C ATOM 637 NE1 TRP A 192 1.522 7.904 3.961 1.00 0.00 N ATOM 638 CE2 TRP A 192 1.206 8.006 2.632 1.00 0.00 C ATOM 639 CE3 TRP A 192 0.411 6.568 0.862 1.00 0.00 C ATOM 640 CZ2 TRP A 192 1.250 9.105 1.780 1.00 0.00 C ATOM 641 CZ3 TRP A 192 0.456 7.661 0.017 1.00 0.00 C ATOM 642 CH2 TRP A 192 0.873 8.915 0.478 1.00 0.00 C ATOM 0 H TRP A 192 2.604 3.260 4.540 1.00 0.00 H new ATOM 0 HA TRP A 192 0.033 4.406 5.440 1.00 0.00 H new ATOM 0 HB2 TRP A 192 1.217 3.857 2.693 1.00 0.00 H new ATOM 0 HB3 TRP A 192 -0.472 4.257 2.936 1.00 0.00 H new ATOM 0 HD1 TRP A 192 1.488 6.241 5.370 1.00 0.00 H new ATOM 0 HE1 TRP A 192 1.854 8.666 4.552 1.00 0.00 H new ATOM 0 HE3 TRP A 192 0.088 5.604 0.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 192 1.570 10.074 2.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 192 0.164 7.545 -1.016 1.00 0.00 H new ATOM 0 HH2 TRP A 192 0.898 9.749 -0.207 1.00 0.00 H new ATOM 653 N GLU A 193 -1.336 2.337 5.097 1.00 0.00 N ATOM 654 CA GLU A 193 -2.074 1.083 5.105 1.00 0.00 C ATOM 655 C GLU A 193 -2.751 0.864 3.755 1.00 0.00 C ATOM 656 O GLU A 193 -3.185 1.820 3.114 1.00 0.00 O ATOM 657 CB GLU A 193 -3.115 1.084 6.224 1.00 0.00 C ATOM 658 CG GLU A 193 -3.613 -0.304 6.595 1.00 0.00 C ATOM 659 CD GLU A 193 -3.327 -0.660 8.042 1.00 0.00 C ATOM 660 OE1 GLU A 193 -3.370 0.248 8.897 1.00 0.00 O ATOM 661 OE2 GLU A 193 -3.059 -1.848 8.319 1.00 0.00 O ATOM 0 H GLU A 193 -1.876 3.146 5.405 1.00 0.00 H new ATOM 0 HA GLU A 193 -1.373 0.267 5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -2.685 1.555 7.108 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -3.964 1.696 5.918 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -4.687 -0.360 6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -3.143 -1.041 5.944 1.00 0.00 H new ATOM 668 N GLY A 194 -2.828 -0.388 3.321 1.00 0.00 N ATOM 669 CA GLY A 194 -3.448 -0.680 2.041 1.00 0.00 C ATOM 670 C GLY A 194 -4.095 -2.048 2.002 1.00 0.00 C ATOM 671 O GLY A 194 -3.753 -2.929 2.790 1.00 0.00 O ATOM 0 H GLY A 194 -2.476 -1.201 3.827 1.00 0.00 H new ATOM 0 HA2 GLY A 194 -4.200 0.079 1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 194 -2.696 -0.616 1.255 1.00 0.00 H new ATOM 675 N GLN A 195 -5.038 -2.222 1.084 1.00 0.00 N ATOM 676 CA GLN A 195 -5.743 -3.491 0.941 1.00 0.00 C ATOM 677 C GLN A 195 -5.552 -4.073 -0.453 1.00 0.00 C ATOM 678 O GLN A 195 -6.084 -3.552 -1.434 1.00 0.00 O ATOM 679 CB GLN A 195 -7.228 -3.308 1.225 1.00 0.00 C ATOM 680 CG GLN A 195 -7.931 -4.590 1.631 1.00 0.00 C ATOM 681 CD GLN A 195 -9.297 -4.340 2.244 1.00 0.00 C ATOM 682 OE1 GLN A 195 -9.557 -3.269 2.791 1.00 0.00 O ATOM 683 NE2 GLN A 195 -10.174 -5.332 2.157 1.00 0.00 N ATOM 0 H GLN A 195 -5.333 -1.500 0.427 1.00 0.00 H new ATOM 0 HA GLN A 195 -5.323 -4.189 1.665 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -7.350 -2.570 2.018 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -7.712 -2.904 0.336 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -8.042 -5.232 0.757 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -7.310 -5.130 2.346 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -9.914 -6.203 1.694 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -11.108 -5.223 2.553 1.00 0.00 H new ATOM 692 N LEU A 196 -4.798 -5.164 -0.536 1.00 0.00 N ATOM 693 CA LEU A 196 -4.547 -5.823 -1.810 1.00 0.00 C ATOM 694 C LEU A 196 -5.684 -6.780 -2.150 1.00 0.00 C ATOM 695 O LEU A 196 -5.627 -7.967 -1.827 1.00 0.00 O ATOM 696 CB LEU A 196 -3.221 -6.584 -1.767 1.00 0.00 C ATOM 697 CG LEU A 196 -2.422 -6.566 -3.073 1.00 0.00 C ATOM 698 CD1 LEU A 196 -1.182 -7.439 -2.949 1.00 0.00 C ATOM 699 CD2 LEU A 196 -3.288 -7.026 -4.235 1.00 0.00 C ATOM 0 H LEU A 196 -4.350 -5.610 0.265 1.00 0.00 H new ATOM 0 HA LEU A 196 -4.489 -5.058 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -2.603 -6.162 -0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -3.423 -7.620 -1.496 1.00 0.00 H new ATOM 0 HG LEU A 196 -2.103 -5.542 -3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -0.625 -7.415 -3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -0.552 -7.064 -2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -1.479 -8.464 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -2.703 -7.007 -5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.638 -8.041 -4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -4.145 -6.360 -4.336 1.00 0.00 H new ATOM 711 N ASN A 197 -6.721 -6.253 -2.797 1.00 0.00 N ATOM 712 CA ASN A 197 -7.881 -7.054 -3.180 1.00 0.00 C ATOM 713 C ASN A 197 -8.777 -7.322 -1.976 1.00 0.00 C ATOM 714 O ASN A 197 -9.950 -6.945 -1.966 1.00 0.00 O ATOM 715 CB ASN A 197 -7.445 -8.380 -3.812 1.00 0.00 C ATOM 716 CG ASN A 197 -8.385 -8.834 -4.911 1.00 0.00 C ATOM 717 OD1 ASN A 197 -9.112 -8.030 -5.496 1.00 0.00 O ATOM 718 ND2 ASN A 197 -8.377 -10.131 -5.198 1.00 0.00 N ATOM 0 H ASN A 197 -6.781 -5.271 -3.068 1.00 0.00 H new ATOM 0 HA ASN A 197 -8.447 -6.485 -3.918 1.00 0.00 H new ATOM 0 HB2 ASN A 197 -6.440 -8.272 -4.219 1.00 0.00 H new ATOM 0 HB3 ASN A 197 -7.395 -9.148 -3.040 1.00 0.00 H new ATOM 0 HD21 ASN A 197 -8.989 -10.496 -5.928 1.00 0.00 H new ATOM 0 HD22 ASN A 197 -7.759 -10.762 -4.689 1.00 0.00 H new ATOM 725 N ASN A 198 -8.222 -7.978 -0.965 1.00 0.00 N ATOM 726 CA ASN A 198 -8.973 -8.298 0.243 1.00 0.00 C ATOM 727 C ASN A 198 -8.100 -8.186 1.491 1.00 0.00 C ATOM 728 O ASN A 198 -8.546 -7.698 2.528 1.00 0.00 O ATOM 729 CB ASN A 198 -9.557 -9.709 0.144 1.00 0.00 C ATOM 730 CG ASN A 198 -10.853 -9.854 0.919 1.00 0.00 C ATOM 731 OD1 ASN A 198 -11.689 -8.950 0.929 1.00 0.00 O ATOM 732 ND2 ASN A 198 -11.026 -10.996 1.574 1.00 0.00 N ATOM 0 H ASN A 198 -7.254 -8.299 -0.957 1.00 0.00 H new ATOM 0 HA ASN A 198 -9.784 -7.575 0.330 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -9.734 -9.953 -0.903 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -8.829 -10.428 0.521 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -11.878 -11.151 2.113 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -10.307 -11.718 1.538 1.00 0.00 H new ATOM 739 N ARG A 199 -6.858 -8.644 1.385 1.00 0.00 N ATOM 740 CA ARG A 199 -5.928 -8.601 2.505 1.00 0.00 C ATOM 741 C ARG A 199 -5.508 -7.168 2.821 1.00 0.00 C ATOM 742 O ARG A 199 -5.286 -6.362 1.918 1.00 0.00 O ATOM 743 CB ARG A 199 -4.697 -9.451 2.190 1.00 0.00 C ATOM 744 CG ARG A 199 -3.855 -8.905 1.047 1.00 0.00 C ATOM 745 CD ARG A 199 -2.595 -9.733 0.836 1.00 0.00 C ATOM 746 NE ARG A 199 -1.944 -10.078 2.099 1.00 0.00 N ATOM 747 CZ ARG A 199 -2.237 -11.160 2.819 1.00 0.00 C ATOM 748 NH1 ARG A 199 -3.174 -12.009 2.409 1.00 0.00 N ATOM 749 NH2 ARG A 199 -1.590 -11.395 3.952 1.00 0.00 N ATOM 0 H ARG A 199 -6.472 -9.050 0.533 1.00 0.00 H new ATOM 0 HA ARG A 199 -6.433 -9.005 3.383 1.00 0.00 H new ATOM 0 HB2 ARG A 199 -4.078 -9.523 3.084 1.00 0.00 H new ATOM 0 HB3 ARG A 199 -5.018 -10.463 1.942 1.00 0.00 H new ATOM 0 HG2 ARG A 199 -4.445 -8.898 0.130 1.00 0.00 H new ATOM 0 HG3 ARG A 199 -3.581 -7.871 1.257 1.00 0.00 H new ATOM 0 HD2 ARG A 199 -2.848 -10.647 0.298 1.00 0.00 H new ATOM 0 HD3 ARG A 199 -1.897 -9.177 0.209 1.00 0.00 H new ATOM 0 HE ARG A 199 -1.220 -9.451 2.451 1.00 0.00 H new ATOM 0 HH11 ARG A 199 -3.674 -11.834 1.538 1.00 0.00 H new ATOM 0 HH12 ARG A 199 -3.393 -12.835 2.966 1.00 0.00 H new ATOM 0 HH21 ARG A 199 -0.869 -10.748 4.271 1.00 0.00 H new ATOM 0 HH22 ARG A 199 -1.813 -12.223 4.504 1.00 0.00 H new ATOM 763 N ARG A 200 -5.398 -6.864 4.111 1.00 0.00 N ATOM 764 CA ARG A 200 -5.002 -5.536 4.560 1.00 0.00 C ATOM 765 C ARG A 200 -3.598 -5.569 5.160 1.00 0.00 C ATOM 766 O ARG A 200 -3.103 -6.633 5.529 1.00 0.00 O ATOM 767 CB ARG A 200 -5.996 -5.017 5.599 1.00 0.00 C ATOM 768 CG ARG A 200 -7.204 -4.318 4.994 1.00 0.00 C ATOM 769 CD ARG A 200 -8.431 -5.213 5.005 1.00 0.00 C ATOM 770 NE ARG A 200 -9.670 -4.442 5.102 1.00 0.00 N ATOM 771 CZ ARG A 200 -10.884 -4.986 5.099 1.00 0.00 C ATOM 772 NH1 ARG A 200 -11.030 -6.302 5.006 1.00 0.00 N ATOM 773 NH2 ARG A 200 -11.957 -4.212 5.191 1.00 0.00 N ATOM 0 H ARG A 200 -5.579 -7.525 4.867 1.00 0.00 H new ATOM 0 HA ARG A 200 -4.999 -4.867 3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 200 -6.339 -5.852 6.210 1.00 0.00 H new ATOM 0 HB3 ARG A 200 -5.483 -4.324 6.266 1.00 0.00 H new ATOM 0 HG2 ARG A 200 -7.414 -3.405 5.551 1.00 0.00 H new ATOM 0 HG3 ARG A 200 -6.978 -4.021 3.970 1.00 0.00 H new ATOM 0 HD2 ARG A 200 -8.449 -5.815 4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 200 -8.368 -5.905 5.845 1.00 0.00 H new ATOM 0 HE ARG A 200 -9.599 -3.427 5.176 1.00 0.00 H new ATOM 0 HH11 ARG A 200 -10.209 -6.903 4.936 1.00 0.00 H new ATOM 0 HH12 ARG A 200 -11.964 -6.713 5.004 1.00 0.00 H new ATOM 0 HH21 ARG A 200 -11.851 -3.200 5.264 1.00 0.00 H new ATOM 0 HH22 ARG A 200 -12.888 -4.629 5.189 1.00 0.00 H new ATOM 787 N GLY A 201 -2.959 -4.406 5.251 1.00 0.00 N ATOM 788 CA GLY A 201 -1.620 -4.350 5.806 1.00 0.00 C ATOM 789 C GLY A 201 -0.981 -2.981 5.676 1.00 0.00 C ATOM 790 O GLY A 201 -1.422 -2.156 4.873 1.00 0.00 O ATOM 0 H GLY A 201 -3.341 -3.509 4.953 1.00 0.00 H new ATOM 0 HA2 GLY A 201 -1.657 -4.629 6.859 1.00 0.00 H new ATOM 0 HA3 GLY A 201 -0.993 -5.087 5.303 1.00 0.00 H new ATOM 794 N ILE A 202 0.067 -2.741 6.461 1.00 0.00 N ATOM 795 CA ILE A 202 0.775 -1.468 6.424 1.00 0.00 C ATOM 796 C ILE A 202 2.137 -1.627 5.759 1.00 0.00 C ATOM 797 O ILE A 202 2.714 -2.714 5.758 1.00 0.00 O ATOM 798 CB ILE A 202 0.970 -0.883 7.836 1.00 0.00 C ATOM 799 CG1 ILE A 202 1.609 -1.920 8.762 1.00 0.00 C ATOM 800 CG2 ILE A 202 -0.360 -0.406 8.400 1.00 0.00 C ATOM 801 CD1 ILE A 202 2.743 -1.363 9.598 1.00 0.00 C ATOM 0 H ILE A 202 0.443 -3.413 7.130 1.00 0.00 H new ATOM 0 HA ILE A 202 0.161 -0.780 5.843 1.00 0.00 H new ATOM 0 HB ILE A 202 1.641 -0.027 7.768 1.00 0.00 H new ATOM 0 HG12 ILE A 202 0.844 -2.325 9.425 1.00 0.00 H new ATOM 0 HG13 ILE A 202 1.983 -2.750 8.163 1.00 0.00 H new ATOM 0 HG21 ILE A 202 -0.206 0.005 9.398 1.00 0.00 H new ATOM 0 HG22 ILE A 202 -0.775 0.365 7.751 1.00 0.00 H new ATOM 0 HG23 ILE A 202 -1.053 -1.245 8.456 1.00 0.00 H new ATOM 0 HD11 ILE A 202 3.150 -2.152 10.231 1.00 0.00 H new ATOM 0 HD12 ILE A 202 3.526 -0.984 8.942 1.00 0.00 H new ATOM 0 HD13 ILE A 202 2.370 -0.552 10.224 1.00 0.00 H new ATOM 813 N PHE A 203 2.647 -0.541 5.191 1.00 0.00 N ATOM 814 CA PHE A 203 3.942 -0.572 4.521 1.00 0.00 C ATOM 815 C PHE A 203 4.411 0.835 4.170 1.00 0.00 C ATOM 816 O PHE A 203 3.597 1.718 3.897 1.00 0.00 O ATOM 817 CB PHE A 203 3.856 -1.415 3.245 1.00 0.00 C ATOM 818 CG PHE A 203 3.011 -0.786 2.167 1.00 0.00 C ATOM 819 CD1 PHE A 203 3.486 0.287 1.424 1.00 0.00 C ATOM 820 CD2 PHE A 203 1.741 -1.265 1.904 1.00 0.00 C ATOM 821 CE1 PHE A 203 2.704 0.865 0.441 1.00 0.00 C ATOM 822 CE2 PHE A 203 0.955 -0.690 0.923 1.00 0.00 C ATOM 823 CZ PHE A 203 1.438 0.375 0.192 1.00 0.00 C ATOM 0 H PHE A 203 2.186 0.369 5.181 1.00 0.00 H new ATOM 0 HA PHE A 203 4.663 -1.019 5.205 1.00 0.00 H new ATOM 0 HB2 PHE A 203 4.862 -1.579 2.858 1.00 0.00 H new ATOM 0 HB3 PHE A 203 3.446 -2.394 3.492 1.00 0.00 H new ATOM 0 HD1 PHE A 203 4.476 0.674 1.616 1.00 0.00 H new ATOM 0 HD2 PHE A 203 1.358 -2.100 2.473 1.00 0.00 H new ATOM 0 HE1 PHE A 203 3.083 1.699 -0.131 1.00 0.00 H new ATOM 0 HE2 PHE A 203 -0.036 -1.074 0.729 1.00 0.00 H new ATOM 0 HZ PHE A 203 0.826 0.826 -0.575 1.00 0.00 H new ATOM 833 N PRO A 204 5.734 1.061 4.149 1.00 0.00 N ATOM 834 CA PRO A 204 6.297 2.366 3.802 1.00 0.00 C ATOM 835 C PRO A 204 5.944 2.747 2.369 1.00 0.00 C ATOM 836 O PRO A 204 6.478 2.173 1.420 1.00 0.00 O ATOM 837 CB PRO A 204 7.812 2.166 3.951 1.00 0.00 C ATOM 838 CG PRO A 204 7.968 0.927 4.765 1.00 0.00 C ATOM 839 CD PRO A 204 6.782 0.068 4.437 1.00 0.00 C ATOM 0 HA PRO A 204 5.912 3.168 4.432 1.00 0.00 H new ATOM 0 HB2 PRO A 204 8.292 2.060 2.978 1.00 0.00 H new ATOM 0 HB3 PRO A 204 8.275 3.021 4.444 1.00 0.00 H new ATOM 0 HG2 PRO A 204 8.900 0.415 4.523 1.00 0.00 H new ATOM 0 HG3 PRO A 204 7.999 1.160 5.829 1.00 0.00 H new ATOM 0 HD2 PRO A 204 6.974 -0.578 3.580 1.00 0.00 H new ATOM 0 HD3 PRO A 204 6.508 -0.580 5.270 1.00 0.00 H new ATOM 847 N SER A 205 5.032 3.704 2.213 1.00 0.00 N ATOM 848 CA SER A 205 4.606 4.138 0.885 1.00 0.00 C ATOM 849 C SER A 205 5.800 4.502 0.012 1.00 0.00 C ATOM 850 O SER A 205 5.710 4.474 -1.215 1.00 0.00 O ATOM 851 CB SER A 205 3.649 5.321 0.981 1.00 0.00 C ATOM 852 OG SER A 205 2.631 5.230 0.000 1.00 0.00 O ATOM 0 H SER A 205 4.576 4.191 2.985 1.00 0.00 H new ATOM 0 HA SER A 205 4.084 3.302 0.420 1.00 0.00 H new ATOM 0 HB2 SER A 205 3.201 5.351 1.974 1.00 0.00 H new ATOM 0 HB3 SER A 205 4.201 6.252 0.852 1.00 0.00 H new ATOM 0 HG SER A 205 1.992 5.963 0.123 1.00 0.00 H new ATOM 858 N ASN A 206 6.927 4.828 0.641 1.00 0.00 N ATOM 859 CA ASN A 206 8.132 5.175 -0.103 1.00 0.00 C ATOM 860 C ASN A 206 8.469 4.080 -1.116 1.00 0.00 C ATOM 861 O ASN A 206 9.195 4.317 -2.081 1.00 0.00 O ATOM 862 CB ASN A 206 9.309 5.399 0.853 1.00 0.00 C ATOM 863 CG ASN A 206 9.755 4.134 1.547 1.00 0.00 C ATOM 864 OD1 ASN A 206 9.234 3.049 1.293 1.00 0.00 O ATOM 865 ND2 ASN A 206 10.730 4.273 2.432 1.00 0.00 N ATOM 0 H ASN A 206 7.030 4.859 1.655 1.00 0.00 H new ATOM 0 HA ASN A 206 7.946 6.103 -0.644 1.00 0.00 H new ATOM 0 HB2 ASN A 206 10.148 5.816 0.296 1.00 0.00 H new ATOM 0 HB3 ASN A 206 9.025 6.137 1.603 1.00 0.00 H new ATOM 0 HD21 ASN A 206 11.080 3.459 2.937 1.00 0.00 H new ATOM 0 HD22 ASN A 206 11.131 5.194 2.609 1.00 0.00 H new ATOM 872 N TYR A 207 7.925 2.882 -0.892 1.00 0.00 N ATOM 873 CA TYR A 207 8.153 1.756 -1.783 1.00 0.00 C ATOM 874 C TYR A 207 7.027 1.636 -2.801 1.00 0.00 C ATOM 875 O TYR A 207 6.794 0.562 -3.354 1.00 0.00 O ATOM 876 CB TYR A 207 8.239 0.466 -0.972 1.00 0.00 C ATOM 877 CG TYR A 207 9.640 -0.087 -0.850 1.00 0.00 C ATOM 878 CD1 TYR A 207 10.720 0.752 -0.601 1.00 0.00 C ATOM 879 CD2 TYR A 207 9.884 -1.449 -0.983 1.00 0.00 C ATOM 880 CE1 TYR A 207 12.003 0.249 -0.488 1.00 0.00 C ATOM 881 CE2 TYR A 207 11.164 -1.958 -0.872 1.00 0.00 C ATOM 882 CZ TYR A 207 12.220 -1.106 -0.624 1.00 0.00 C ATOM 883 OH TYR A 207 13.495 -1.609 -0.512 1.00 0.00 O ATOM 0 H TYR A 207 7.322 2.672 -0.096 1.00 0.00 H new ATOM 0 HA TYR A 207 9.090 1.923 -2.314 1.00 0.00 H new ATOM 0 HB2 TYR A 207 7.843 0.649 0.027 1.00 0.00 H new ATOM 0 HB3 TYR A 207 7.601 -0.286 -1.435 1.00 0.00 H new ATOM 0 HD1 TYR A 207 10.554 1.814 -0.494 1.00 0.00 H new ATOM 0 HD2 TYR A 207 9.060 -2.120 -1.176 1.00 0.00 H new ATOM 0 HE1 TYR A 207 12.831 0.914 -0.294 1.00 0.00 H new ATOM 0 HE2 TYR A 207 11.337 -3.019 -0.979 1.00 0.00 H new ATOM 0 HH TYR A 207 13.475 -2.581 -0.632 1.00 0.00 H new ATOM 893 N VAL A 208 6.316 2.734 -3.034 1.00 0.00 N ATOM 894 CA VAL A 208 5.203 2.722 -3.971 1.00 0.00 C ATOM 895 C VAL A 208 5.053 4.064 -4.689 1.00 0.00 C ATOM 896 O VAL A 208 5.940 4.916 -4.630 1.00 0.00 O ATOM 897 CB VAL A 208 3.887 2.366 -3.243 1.00 0.00 C ATOM 898 CG1 VAL A 208 4.092 1.182 -2.312 1.00 0.00 C ATOM 899 CG2 VAL A 208 3.358 3.552 -2.454 1.00 0.00 C ATOM 0 H VAL A 208 6.490 3.636 -2.590 1.00 0.00 H new ATOM 0 HA VAL A 208 5.417 1.961 -4.721 1.00 0.00 H new ATOM 0 HB VAL A 208 3.153 2.099 -4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 208 3.154 0.948 -1.809 1.00 0.00 H new ATOM 0 HG12 VAL A 208 4.420 0.318 -2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 208 4.850 1.430 -1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 208 2.432 3.272 -1.953 1.00 0.00 H new ATOM 0 HG22 VAL A 208 4.096 3.853 -1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 208 3.166 4.384 -3.132 1.00 0.00 H new ATOM 909 N ALA A 209 3.921 4.237 -5.363 1.00 0.00 N ATOM 910 CA ALA A 209 3.641 5.467 -6.091 1.00 0.00 C ATOM 911 C ALA A 209 2.151 5.575 -6.417 1.00 0.00 C ATOM 912 O ALA A 209 1.629 4.800 -7.220 1.00 0.00 O ATOM 913 CB ALA A 209 4.467 5.524 -7.367 1.00 0.00 C ATOM 0 H ALA A 209 3.181 3.538 -5.420 1.00 0.00 H new ATOM 0 HA ALA A 209 3.915 6.311 -5.458 1.00 0.00 H new ATOM 0 HB1 ALA A 209 4.248 6.448 -7.901 1.00 0.00 H new ATOM 0 HB2 ALA A 209 5.527 5.493 -7.116 1.00 0.00 H new ATOM 0 HB3 ALA A 209 4.219 4.672 -8.000 1.00 0.00 H new ATOM 919 N PRO A 210 1.442 6.537 -5.797 1.00 0.00 N ATOM 920 CA PRO A 210 0.006 6.731 -6.028 1.00 0.00 C ATOM 921 C PRO A 210 -0.359 6.715 -7.509 1.00 0.00 C ATOM 922 O PRO A 210 0.057 7.588 -8.271 1.00 0.00 O ATOM 923 CB PRO A 210 -0.255 8.108 -5.420 1.00 0.00 C ATOM 924 CG PRO A 210 0.747 8.220 -4.326 1.00 0.00 C ATOM 925 CD PRO A 210 1.977 7.506 -4.820 1.00 0.00 C ATOM 0 HA PRO A 210 -0.593 5.932 -5.590 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -0.129 8.900 -6.158 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -1.273 8.188 -5.038 1.00 0.00 H new ATOM 0 HG2 PRO A 210 0.965 9.264 -4.101 1.00 0.00 H new ATOM 0 HG3 PRO A 210 0.375 7.767 -3.407 1.00 0.00 H new ATOM 0 HD2 PRO A 210 2.683 8.195 -5.283 1.00 0.00 H new ATOM 0 HD3 PRO A 210 2.505 7.007 -4.008 1.00 0.00 H new ATOM 933 N TYR A 211 -1.137 5.715 -7.906 1.00 0.00 N ATOM 934 CA TYR A 211 -1.561 5.576 -9.294 1.00 0.00 C ATOM 935 C TYR A 211 -2.913 6.246 -9.518 1.00 0.00 C ATOM 936 O TYR A 211 -3.013 7.238 -10.242 1.00 0.00 O ATOM 937 CB TYR A 211 -1.642 4.095 -9.672 1.00 0.00 C ATOM 938 CG TYR A 211 -2.112 3.851 -11.089 1.00 0.00 C ATOM 939 CD1 TYR A 211 -3.461 3.913 -11.414 1.00 0.00 C ATOM 940 CD2 TYR A 211 -1.208 3.555 -12.100 1.00 0.00 C ATOM 941 CE1 TYR A 211 -3.895 3.687 -12.706 1.00 0.00 C ATOM 942 CE2 TYR A 211 -1.633 3.328 -13.395 1.00 0.00 C ATOM 943 CZ TYR A 211 -2.979 3.395 -13.693 1.00 0.00 C ATOM 944 OH TYR A 211 -3.406 3.172 -14.981 1.00 0.00 O ATOM 0 H TYR A 211 -1.488 4.986 -7.284 1.00 0.00 H new ATOM 0 HA TYR A 211 -0.824 6.068 -9.929 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -0.659 3.642 -9.542 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -2.319 3.590 -8.983 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -4.183 4.142 -10.644 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -0.154 3.501 -11.870 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -4.948 3.739 -12.941 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -0.916 3.099 -14.170 1.00 0.00 H new ATOM 0 HH TYR A 211 -2.634 2.980 -15.553 1.00 0.00 H new ATOM 954 N ASN A 212 -3.950 5.701 -8.894 1.00 0.00 N ATOM 955 CA ASN A 212 -5.297 6.246 -9.025 1.00 0.00 C ATOM 956 C ASN A 212 -5.517 7.392 -8.043 1.00 0.00 C ATOM 957 O ASN A 212 -6.265 8.328 -8.323 1.00 0.00 O ATOM 958 CB ASN A 212 -6.338 5.150 -8.791 1.00 0.00 C ATOM 959 CG ASN A 212 -7.626 5.407 -9.549 1.00 0.00 C ATOM 960 OD1 ASN A 212 -7.863 6.512 -10.038 1.00 0.00 O ATOM 961 ND2 ASN A 212 -8.466 4.384 -9.651 1.00 0.00 N ATOM 0 H ASN A 212 -3.885 4.881 -8.291 1.00 0.00 H new ATOM 0 HA ASN A 212 -5.409 6.633 -10.038 1.00 0.00 H new ATOM 0 HB2 ASN A 212 -5.925 4.189 -9.097 1.00 0.00 H new ATOM 0 HB3 ASN A 212 -6.554 5.079 -7.725 1.00 0.00 H new ATOM 0 HD21 ASN A 212 -9.348 4.496 -10.150 1.00 0.00 H new ATOM 0 HD22 ASN A 212 -8.229 3.486 -9.230 1.00 0.00 H new ATOM 968 N SER A 213 -4.861 7.311 -6.890 1.00 0.00 N ATOM 969 CA SER A 213 -4.986 8.341 -5.865 1.00 0.00 C ATOM 970 C SER A 213 -4.424 9.670 -6.360 1.00 0.00 C ATOM 971 O SER A 213 -3.291 10.034 -6.039 1.00 0.00 O ATOM 972 CB SER A 213 -4.261 7.911 -4.588 1.00 0.00 C ATOM 973 OG SER A 213 -3.197 7.020 -4.880 1.00 0.00 O ATOM 0 H SER A 213 -4.237 6.543 -6.642 1.00 0.00 H new ATOM 0 HA SER A 213 -6.045 8.473 -5.645 1.00 0.00 H new ATOM 0 HB2 SER A 213 -3.873 8.790 -4.073 1.00 0.00 H new ATOM 0 HB3 SER A 213 -4.966 7.430 -3.910 1.00 0.00 H new ATOM 0 HG SER A 213 -2.749 6.762 -4.048 1.00 0.00 H new ATOM 979 N ASN A 214 -5.221 10.390 -7.142 1.00 0.00 N ATOM 980 CA ASN A 214 -4.801 11.679 -7.680 1.00 0.00 C ATOM 981 C ASN A 214 -5.314 12.824 -6.813 1.00 0.00 C ATOM 982 O ASN A 214 -4.516 13.734 -6.503 1.00 0.00 O ATOM 983 CB ASN A 214 -5.308 11.845 -9.113 1.00 0.00 C ATOM 984 CG ASN A 214 -4.432 11.128 -10.122 1.00 0.00 C ATOM 985 OD1 ASN A 214 -3.210 11.282 -10.120 1.00 0.00 O ATOM 986 ND2 ASN A 214 -5.053 10.341 -10.993 1.00 0.00 N ATOM 987 OXT ASN A 214 -6.509 12.799 -6.448 1.00 0.00 O ATOM 0 H ASN A 214 -6.160 10.103 -7.417 1.00 0.00 H new ATOM 0 HA ASN A 214 -3.711 11.707 -7.680 1.00 0.00 H new ATOM 0 HB2 ASN A 214 -6.326 11.462 -9.182 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -5.349 12.906 -9.360 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -4.515 9.835 -11.697 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -6.068 10.243 -10.958 1.00 0.00 H new TER 994 ASN A 214