USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 409 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 2 GLN : amide:sc= -3.17! K(o=-3.4!,f=-1.9) USER MOD Set 1.2: A 17 THR OG1 : rot 180:sc= -0.21 USER MOD Set 2.1: A 16 THR OG1 : rot 168:sc= 0.408 USER MOD Set 2.2: A 33 TYR OH : rot 180:sc= -0.043 USER MOD Single : A 3 TYR OH : rot -3:sc= -1.89 USER MOD Single : A 4 LYS NZ :NH3+ -122:sc= -1.38 (180deg=-1.93!) USER MOD Single : A 8 ASN : amide:sc= -0.0691 K(o=-0.069,f=-2.2!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00269 USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= -2.46! (180deg=-3.15!) USER MOD Single : A 18 THR OG1 : rot 170:sc= 0 USER MOD Single : A 25 THR OG1 : rot -83:sc= -3.82! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -160:sc=-0.00299 (180deg=-0.292) USER MOD Single : A 32 GLN : amide:sc= -1.35! K(o=-1.4!,f=-0.0078) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 37 ASN : amide:sc= -1.53 K(o=-1.5,f=-2.7!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0699 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.203 USER MOD Single : A 49 THR OG1 : rot -135:sc= -1.44! USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= 0.64 (180deg=0.612) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -3.39! USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.62 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -0.110 27.539 22.623 1.00 1.00 N ATOM 21 CA GLN A 2 -0.685 26.639 21.615 1.00 1.00 C ATOM 22 C GLN A 2 0.365 25.969 20.722 1.00 1.00 C ATOM 23 O GLN A 2 1.215 26.624 20.119 1.00 1.00 O ATOM 24 CB GLN A 2 -1.649 27.436 20.739 1.00 1.00 C ATOM 25 CG GLN A 2 -2.491 26.477 19.900 1.00 1.00 C ATOM 26 CD GLN A 2 -3.477 25.718 20.789 1.00 1.00 C ATOM 27 OE1 GLN A 2 -4.155 26.323 21.621 1.00 1.00 O ATOM 28 NE2 GLN A 2 -3.599 24.423 20.665 1.00 1.00 N ATOM 0 HA GLN A 2 -1.195 25.840 22.153 1.00 1.00 H new ATOM 0 HB2 GLN A 2 -2.296 28.054 21.362 1.00 1.00 H new ATOM 0 HB3 GLN A 2 -1.092 28.111 20.089 1.00 1.00 H new ATOM 0 HG2 GLN A 2 -3.034 27.033 19.136 1.00 1.00 H new ATOM 0 HG3 GLN A 2 -1.842 25.772 19.381 1.00 1.00 H new ATOM 0 HE21 GLN A 2 -3.038 23.922 19.976 1.00 1.00 H new ATOM 0 HE22 GLN A 2 -4.255 23.914 21.257 1.00 1.00 H new ATOM 37 N TYR A 3 0.245 24.639 20.629 1.00 1.00 N ATOM 38 CA TYR A 3 1.125 23.815 19.793 1.00 1.00 C ATOM 39 C TYR A 3 0.303 23.116 18.729 1.00 1.00 C ATOM 40 O TYR A 3 -0.905 22.934 18.894 1.00 1.00 O ATOM 41 CB TYR A 3 1.821 22.754 20.631 1.00 1.00 C ATOM 42 CG TYR A 3 2.356 23.393 21.862 1.00 1.00 C ATOM 43 CD1 TYR A 3 1.487 23.635 22.923 1.00 1.00 C ATOM 44 CD2 TYR A 3 3.701 23.751 21.947 1.00 1.00 C ATOM 45 CE1 TYR A 3 1.962 24.237 24.076 1.00 1.00 C ATOM 46 CE2 TYR A 3 4.177 24.357 23.104 1.00 1.00 C ATOM 47 CZ TYR A 3 3.302 24.598 24.167 1.00 1.00 C ATOM 48 OH TYR A 3 3.762 25.207 25.308 1.00 1.00 O ATOM 0 H TYR A 3 -0.464 24.105 21.131 1.00 1.00 H new ATOM 0 HA TYR A 3 1.871 24.466 19.337 1.00 1.00 H new ATOM 0 HB2 TYR A 3 1.122 21.959 20.891 1.00 1.00 H new ATOM 0 HB3 TYR A 3 2.629 22.294 20.063 1.00 1.00 H new ATOM 0 HD1 TYR A 3 0.447 23.354 22.847 1.00 1.00 H new ATOM 0 HD2 TYR A 3 4.368 23.559 21.120 1.00 1.00 H new ATOM 0 HE1 TYR A 3 1.293 24.426 24.903 1.00 1.00 H new ATOM 0 HE2 TYR A 3 5.216 24.640 23.181 1.00 1.00 H new ATOM 0 HH TYR A 3 3.015 25.353 25.925 1.00 1.00 H new ATOM 58 N LYS A 4 0.953 22.699 17.643 1.00 1.00 N ATOM 59 CA LYS A 4 0.251 21.991 16.564 1.00 1.00 C ATOM 60 C LYS A 4 1.059 20.761 16.170 1.00 1.00 C ATOM 61 O LYS A 4 2.285 20.761 16.231 1.00 1.00 O ATOM 62 CB LYS A 4 0.056 22.935 15.359 1.00 1.00 C ATOM 63 CG LYS A 4 -1.220 22.574 14.577 1.00 1.00 C ATOM 64 CD LYS A 4 -1.472 23.650 13.514 1.00 1.00 C ATOM 65 CE LYS A 4 -2.840 23.430 12.862 1.00 1.00 C ATOM 66 NZ LYS A 4 -2.835 22.157 12.093 1.00 1.00 N ATOM 0 H LYS A 4 1.951 22.835 17.484 1.00 1.00 H new ATOM 0 HA LYS A 4 -0.734 21.671 16.905 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -0.006 23.966 15.706 1.00 1.00 H new ATOM 0 HB3 LYS A 4 0.921 22.872 14.699 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -1.110 21.597 14.106 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -2.071 22.507 15.255 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -1.432 24.640 13.969 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -0.689 23.615 12.757 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -3.616 23.400 13.626 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -3.076 24.264 12.201 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -3.071 22.351 11.099 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -1.891 21.723 12.146 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -3.539 21.506 12.495 1.00 1.00 H new ATOM 80 N LEU A 5 0.359 19.695 15.808 1.00 1.00 N ATOM 81 CA LEU A 5 1.010 18.438 15.447 1.00 1.00 C ATOM 82 C LEU A 5 0.713 18.085 13.994 1.00 1.00 C ATOM 83 O LEU A 5 -0.447 18.033 13.588 1.00 1.00 O ATOM 84 CB LEU A 5 0.449 17.332 16.364 1.00 1.00 C ATOM 85 CG LEU A 5 1.433 16.148 16.623 1.00 1.00 C ATOM 86 CD1 LEU A 5 0.609 14.899 16.962 1.00 1.00 C ATOM 87 CD2 LEU A 5 2.341 15.813 15.419 1.00 1.00 C ATOM 0 H LEU A 5 -0.659 19.673 15.756 1.00 1.00 H new ATOM 0 HA LEU A 5 2.089 18.533 15.567 1.00 1.00 H new ATOM 0 HB2 LEU A 5 0.174 17.775 17.321 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -0.465 16.938 15.920 1.00 1.00 H new ATOM 0 HG LEU A 5 2.086 16.455 17.440 1.00 1.00 H new ATOM 0 HD11 LEU A 5 1.280 14.060 17.147 1.00 1.00 H new ATOM 0 HD12 LEU A 5 0.011 15.088 17.853 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -0.050 14.660 16.127 1.00 1.00 H new ATOM 0 HD21 LEU A 5 2.995 14.980 15.677 1.00 1.00 H new ATOM 0 HD22 LEU A 5 1.724 15.538 14.564 1.00 1.00 H new ATOM 0 HD23 LEU A 5 2.945 16.684 15.165 1.00 1.00 H new ATOM 99 N ILE A 6 1.760 17.773 13.241 1.00 1.00 N ATOM 100 CA ILE A 6 1.584 17.337 11.847 1.00 1.00 C ATOM 101 C ILE A 6 1.968 15.865 11.785 1.00 1.00 C ATOM 102 O ILE A 6 3.127 15.520 11.977 1.00 1.00 O ATOM 103 CB ILE A 6 2.512 18.148 10.910 1.00 1.00 C ATOM 104 CG1 ILE A 6 1.838 19.450 10.472 1.00 1.00 C ATOM 105 CG2 ILE A 6 2.854 17.340 9.643 1.00 1.00 C ATOM 106 CD1 ILE A 6 1.255 20.218 11.662 1.00 1.00 C ATOM 0 H ILE A 6 2.729 17.810 13.558 1.00 1.00 H new ATOM 0 HA ILE A 6 0.554 17.493 11.527 1.00 1.00 H new ATOM 0 HB ILE A 6 3.421 18.367 11.469 1.00 1.00 H new ATOM 0 HG12 ILE A 6 2.563 20.078 9.954 1.00 1.00 H new ATOM 0 HG13 ILE A 6 1.044 19.226 9.760 1.00 1.00 H new ATOM 0 HG21 ILE A 6 3.507 17.930 9.000 1.00 1.00 H new ATOM 0 HG22 ILE A 6 3.361 16.417 9.926 1.00 1.00 H new ATOM 0 HG23 ILE A 6 1.936 17.100 9.106 1.00 1.00 H new ATOM 0 HD11 ILE A 6 0.786 21.136 11.308 1.00 1.00 H new ATOM 0 HD12 ILE A 6 0.511 19.600 12.164 1.00 1.00 H new ATOM 0 HD13 ILE A 6 2.053 20.465 12.362 1.00 1.00 H new ATOM 118 N LEU A 7 1.008 14.988 11.476 1.00 1.00 N ATOM 119 CA LEU A 7 1.320 13.556 11.375 1.00 1.00 C ATOM 120 C LEU A 7 1.324 13.098 9.922 1.00 1.00 C ATOM 121 O LEU A 7 0.345 13.274 9.185 1.00 1.00 O ATOM 122 CB LEU A 7 0.378 12.629 12.220 1.00 1.00 C ATOM 123 CG LEU A 7 -0.986 13.253 12.523 1.00 1.00 C ATOM 124 CD1 LEU A 7 -0.841 14.551 13.340 1.00 1.00 C ATOM 125 CD2 LEU A 7 -1.714 13.509 11.213 1.00 1.00 C ATOM 0 H LEU A 7 0.034 15.233 11.296 1.00 1.00 H new ATOM 0 HA LEU A 7 2.318 13.454 11.801 1.00 1.00 H new ATOM 0 HB2 LEU A 7 0.228 11.692 11.684 1.00 1.00 H new ATOM 0 HB3 LEU A 7 0.872 12.383 13.160 1.00 1.00 H new ATOM 0 HG LEU A 7 -1.568 12.560 13.131 1.00 1.00 H new ATOM 0 HD11 LEU A 7 -1.828 14.968 13.538 1.00 1.00 H new ATOM 0 HD12 LEU A 7 -0.343 14.333 14.285 1.00 1.00 H new ATOM 0 HD13 LEU A 7 -0.249 15.272 12.776 1.00 1.00 H new ATOM 0 HD21 LEU A 7 -2.688 13.954 11.419 1.00 1.00 H new ATOM 0 HD22 LEU A 7 -1.127 14.190 10.597 1.00 1.00 H new ATOM 0 HD23 LEU A 7 -1.850 12.567 10.682 1.00 1.00 H new ATOM 137 N ASN A 8 2.421 12.460 9.538 1.00 1.00 N ATOM 138 CA ASN A 8 2.567 11.904 8.208 1.00 1.00 C ATOM 139 C ASN A 8 2.614 10.393 8.350 1.00 1.00 C ATOM 140 O ASN A 8 3.632 9.750 8.072 1.00 1.00 O ATOM 141 CB ASN A 8 3.854 12.408 7.552 1.00 1.00 C ATOM 142 CG ASN A 8 3.813 12.139 6.051 1.00 1.00 C ATOM 143 OD1 ASN A 8 2.734 12.065 5.464 1.00 1.00 O ATOM 144 ND2 ASN A 8 4.930 11.994 5.392 1.00 1.00 N ATOM 0 H ASN A 8 3.231 12.316 10.141 1.00 1.00 H new ATOM 0 HA ASN A 8 1.732 12.209 7.577 1.00 1.00 H new ATOM 0 HB2 ASN A 8 3.972 13.476 7.736 1.00 1.00 H new ATOM 0 HB3 ASN A 8 4.717 11.911 7.996 1.00 1.00 H new ATOM 0 HD21 ASN A 8 4.910 11.819 4.387 1.00 1.00 H new ATOM 0 HD22 ASN A 8 5.823 12.056 5.882 1.00 1.00 H new ATOM 151 N GLY A 9 1.514 9.829 8.829 1.00 1.00 N ATOM 152 CA GLY A 9 1.447 8.399 9.044 1.00 1.00 C ATOM 153 C GLY A 9 1.069 7.666 7.784 1.00 1.00 C ATOM 154 O GLY A 9 0.358 8.191 6.927 1.00 1.00 O ATOM 0 H GLY A 9 0.665 10.339 9.073 1.00 1.00 H new ATOM 0 HA2 GLY A 9 2.412 8.038 9.400 1.00 1.00 H new ATOM 0 HA3 GLY A 9 0.718 8.182 9.825 1.00 1.00 H new ATOM 158 N LYS A 10 1.556 6.443 7.674 1.00 1.00 N ATOM 159 CA LYS A 10 1.249 5.656 6.490 1.00 1.00 C ATOM 160 C LYS A 10 -0.224 5.272 6.526 1.00 1.00 C ATOM 161 O LYS A 10 -0.852 5.064 5.488 1.00 1.00 O ATOM 162 CB LYS A 10 2.144 4.413 6.432 1.00 1.00 C ATOM 163 CG LYS A 10 2.053 3.632 7.746 1.00 1.00 C ATOM 164 CD LYS A 10 3.062 2.484 7.718 1.00 1.00 C ATOM 165 CE LYS A 10 3.022 1.729 9.048 1.00 1.00 C ATOM 166 NZ LYS A 10 4.020 0.624 9.017 1.00 1.00 N ATOM 0 H LYS A 10 2.148 5.983 8.366 1.00 1.00 H new ATOM 0 HA LYS A 10 1.443 6.242 5.592 1.00 1.00 H new ATOM 0 HB2 LYS A 10 1.841 3.776 5.601 1.00 1.00 H new ATOM 0 HB3 LYS A 10 3.177 4.708 6.247 1.00 1.00 H new ATOM 0 HG2 LYS A 10 2.257 4.291 8.590 1.00 1.00 H new ATOM 0 HG3 LYS A 10 1.044 3.242 7.883 1.00 1.00 H new ATOM 0 HD2 LYS A 10 2.832 1.805 6.897 1.00 1.00 H new ATOM 0 HD3 LYS A 10 4.065 2.873 7.540 1.00 1.00 H new ATOM 0 HE2 LYS A 10 3.240 2.409 9.872 1.00 1.00 H new ATOM 0 HE3 LYS A 10 2.023 1.328 9.222 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 3.995 0.109 9.920 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 3.792 -0.028 8.240 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 4.971 1.019 8.870 1.00 1.00 H new ATOM 180 N THR A 11 -0.780 5.214 7.737 1.00 1.00 N ATOM 181 CA THR A 11 -2.197 4.894 7.923 1.00 1.00 C ATOM 182 C THR A 11 -2.954 6.111 8.456 1.00 1.00 C ATOM 183 O THR A 11 -4.180 6.180 8.354 1.00 1.00 O ATOM 184 CB THR A 11 -2.341 3.725 8.908 1.00 1.00 C ATOM 185 OG1 THR A 11 -1.457 3.917 10.003 1.00 1.00 O ATOM 186 CG2 THR A 11 -1.999 2.412 8.199 1.00 1.00 C ATOM 0 H THR A 11 -0.271 5.384 8.604 1.00 1.00 H new ATOM 0 HA THR A 11 -2.620 4.611 6.959 1.00 1.00 H new ATOM 0 HB THR A 11 -3.367 3.683 9.273 1.00 1.00 H new ATOM 0 HG1 THR A 11 -1.550 3.172 10.633 1.00 1.00 H new ATOM 0 HG21 THR A 11 -2.102 1.583 8.899 1.00 1.00 H new ATOM 0 HG22 THR A 11 -2.678 2.264 7.360 1.00 1.00 H new ATOM 0 HG23 THR A 11 -0.973 2.453 7.833 1.00 1.00 H new ATOM 194 N LEU A 12 -2.222 7.062 9.055 1.00 1.00 N ATOM 195 CA LEU A 12 -2.843 8.253 9.633 1.00 1.00 C ATOM 196 C LEU A 12 -2.150 9.533 9.154 1.00 1.00 C ATOM 197 O LEU A 12 -0.965 9.741 9.407 1.00 1.00 O ATOM 198 CB LEU A 12 -2.745 8.138 11.153 1.00 1.00 C ATOM 199 CG LEU A 12 -3.648 9.170 11.835 1.00 1.00 C ATOM 200 CD1 LEU A 12 -3.772 8.808 13.319 1.00 1.00 C ATOM 201 CD2 LEU A 12 -3.061 10.582 11.681 1.00 1.00 C ATOM 0 H LEU A 12 -1.207 7.026 9.149 1.00 1.00 H new ATOM 0 HA LEU A 12 -3.884 8.313 9.315 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -3.032 7.134 11.466 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -1.712 8.287 11.468 1.00 1.00 H new ATOM 0 HG LEU A 12 -4.633 9.160 11.368 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -4.413 9.535 13.818 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -4.207 7.813 13.416 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -2.784 8.818 13.780 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -3.715 11.303 12.171 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -2.073 10.617 12.140 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -2.978 10.828 10.622 1.00 1.00 H new ATOM 213 N LYS A 13 -2.908 10.407 8.478 1.00 1.00 N ATOM 214 CA LYS A 13 -2.369 11.679 7.985 1.00 1.00 C ATOM 215 C LYS A 13 -3.293 12.851 8.320 1.00 1.00 C ATOM 216 O LYS A 13 -4.511 12.691 8.411 1.00 1.00 O ATOM 217 CB LYS A 13 -2.182 11.578 6.458 1.00 1.00 C ATOM 218 CG LYS A 13 -0.701 11.376 6.133 1.00 1.00 C ATOM 219 CD LYS A 13 -0.522 11.024 4.644 1.00 1.00 C ATOM 220 CE LYS A 13 -0.528 9.498 4.439 1.00 1.00 C ATOM 221 NZ LYS A 13 -1.491 8.854 5.377 1.00 1.00 N ATOM 0 H LYS A 13 -3.893 10.256 8.261 1.00 1.00 H new ATOM 0 HA LYS A 13 -1.413 11.866 8.474 1.00 1.00 H new ATOM 0 HB2 LYS A 13 -2.767 10.747 6.064 1.00 1.00 H new ATOM 0 HB3 LYS A 13 -2.550 12.484 5.976 1.00 1.00 H new ATOM 0 HG2 LYS A 13 -0.143 12.282 6.369 1.00 1.00 H new ATOM 0 HG3 LYS A 13 -0.291 10.579 6.754 1.00 1.00 H new ATOM 0 HD2 LYS A 13 -1.323 11.477 4.060 1.00 1.00 H new ATOM 0 HD3 LYS A 13 0.416 11.441 4.277 1.00 1.00 H new ATOM 0 HE2 LYS A 13 -0.800 9.264 3.410 1.00 1.00 H new ATOM 0 HE3 LYS A 13 0.473 9.098 4.603 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 -1.729 7.903 5.031 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 -1.060 8.781 6.321 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 -2.356 9.428 5.435 1.00 1.00 H new ATOM 235 N GLY A 14 -2.700 14.041 8.478 1.00 1.00 N ATOM 236 CA GLY A 14 -3.474 15.246 8.777 1.00 1.00 C ATOM 237 C GLY A 14 -2.781 16.129 9.815 1.00 1.00 C ATOM 238 O GLY A 14 -1.554 16.269 9.819 1.00 1.00 O ATOM 0 H GLY A 14 -1.694 14.192 8.404 1.00 1.00 H new ATOM 0 HA2 GLY A 14 -3.627 15.816 7.860 1.00 1.00 H new ATOM 0 HA3 GLY A 14 -4.460 14.962 9.143 1.00 1.00 H new ATOM 242 N GLU A 15 -3.585 16.767 10.680 1.00 1.00 N ATOM 243 CA GLU A 15 -3.050 17.667 11.702 1.00 1.00 C ATOM 244 C GLU A 15 -3.886 17.613 12.981 1.00 1.00 C ATOM 245 O GLU A 15 -5.046 17.201 12.966 1.00 1.00 O ATOM 246 CB GLU A 15 -3.031 19.117 11.180 1.00 1.00 C ATOM 247 CG GLU A 15 -1.895 19.319 10.162 1.00 1.00 C ATOM 248 CD GLU A 15 -2.309 18.886 8.759 1.00 1.00 C ATOM 249 OE1 GLU A 15 -3.480 18.601 8.563 1.00 1.00 O ATOM 250 OE2 GLU A 15 -1.446 18.841 7.898 1.00 1.00 O ATOM 0 H GLU A 15 -4.601 16.674 10.689 1.00 1.00 H new ATOM 0 HA GLU A 15 -2.035 17.340 11.928 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -3.988 19.353 10.715 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -2.904 19.807 12.015 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -1.603 20.369 10.147 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -1.020 18.749 10.475 1.00 1.00 H new ATOM 257 N THR A 16 -3.267 18.030 14.085 1.00 1.00 N ATOM 258 CA THR A 16 -3.924 18.038 15.394 1.00 1.00 C ATOM 259 C THR A 16 -3.412 19.232 16.217 1.00 1.00 C ATOM 260 O THR A 16 -2.264 19.644 16.062 1.00 1.00 O ATOM 261 CB THR A 16 -3.641 16.694 16.098 1.00 1.00 C ATOM 262 OG1 THR A 16 -4.632 15.754 15.709 1.00 1.00 O ATOM 263 CG2 THR A 16 -3.662 16.845 17.619 1.00 1.00 C ATOM 0 H THR A 16 -2.305 18.369 14.099 1.00 1.00 H new ATOM 0 HA THR A 16 -5.003 18.150 15.285 1.00 1.00 H new ATOM 0 HB THR A 16 -2.648 16.353 15.804 1.00 1.00 H new ATOM 0 HG1 THR A 16 -4.363 14.857 15.997 1.00 1.00 H new ATOM 0 HG21 THR A 16 -3.459 15.880 18.083 1.00 1.00 H new ATOM 0 HG22 THR A 16 -2.900 17.562 17.924 1.00 1.00 H new ATOM 0 HG23 THR A 16 -4.642 17.201 17.936 1.00 1.00 H new ATOM 271 N THR A 17 -4.265 19.800 17.085 1.00 1.00 N ATOM 272 CA THR A 17 -3.856 20.964 17.901 1.00 1.00 C ATOM 273 C THR A 17 -4.232 20.813 19.380 1.00 1.00 C ATOM 274 O THR A 17 -5.310 20.322 19.716 1.00 1.00 O ATOM 275 CB THR A 17 -4.493 22.245 17.349 1.00 1.00 C ATOM 276 OG1 THR A 17 -4.171 23.335 18.201 1.00 1.00 O ATOM 277 CG2 THR A 17 -6.016 22.085 17.278 1.00 1.00 C ATOM 0 H THR A 17 -5.222 19.484 17.241 1.00 1.00 H new ATOM 0 HA THR A 17 -2.769 21.022 17.840 1.00 1.00 H new ATOM 0 HB THR A 17 -4.108 22.434 16.347 1.00 1.00 H new ATOM 0 HG1 THR A 17 -4.576 24.155 17.850 1.00 1.00 H new ATOM 0 HG21 THR A 17 -6.460 23.000 16.885 1.00 1.00 H new ATOM 0 HG22 THR A 17 -6.264 21.250 16.622 1.00 1.00 H new ATOM 0 HG23 THR A 17 -6.408 21.891 18.276 1.00 1.00 H new ATOM 285 N THR A 18 -3.322 21.262 20.254 1.00 1.00 N ATOM 286 CA THR A 18 -3.537 21.202 21.702 1.00 1.00 C ATOM 287 C THR A 18 -2.838 22.366 22.396 1.00 1.00 C ATOM 288 O THR A 18 -1.799 22.841 21.934 1.00 1.00 O ATOM 289 CB THR A 18 -3.010 19.881 22.271 1.00 1.00 C ATOM 290 OG1 THR A 18 -3.710 19.579 23.470 1.00 1.00 O ATOM 291 CG2 THR A 18 -1.508 19.976 22.584 1.00 1.00 C ATOM 0 H THR A 18 -2.429 21.671 19.981 1.00 1.00 H new ATOM 0 HA THR A 18 -4.610 21.268 21.885 1.00 1.00 H new ATOM 0 HB THR A 18 -3.164 19.099 21.528 1.00 1.00 H new ATOM 0 HG1 THR A 18 -3.496 18.665 23.752 1.00 1.00 H new ATOM 0 HG21 THR A 18 -1.159 19.025 22.987 1.00 1.00 H new ATOM 0 HG22 THR A 18 -0.960 20.206 21.670 1.00 1.00 H new ATOM 0 HG23 THR A 18 -1.338 20.764 23.317 1.00 1.00 H new ATOM 299 N GLU A 19 -3.382 22.798 23.530 1.00 1.00 N ATOM 300 CA GLU A 19 -2.765 23.873 24.289 1.00 1.00 C ATOM 301 C GLU A 19 -2.038 23.267 25.481 1.00 1.00 C ATOM 302 O GLU A 19 -2.547 22.364 26.144 1.00 1.00 O ATOM 303 CB GLU A 19 -3.821 24.876 24.761 1.00 1.00 C ATOM 304 CG GLU A 19 -3.148 26.222 25.027 1.00 1.00 C ATOM 305 CD GLU A 19 -4.176 27.212 25.565 1.00 1.00 C ATOM 306 OE1 GLU A 19 -5.357 26.916 25.477 1.00 1.00 O ATOM 307 OE2 GLU A 19 -3.770 28.256 26.049 1.00 1.00 O ATOM 0 H GLU A 19 -4.239 22.423 23.937 1.00 1.00 H new ATOM 0 HA GLU A 19 -2.058 24.409 23.656 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.599 24.987 24.005 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -4.306 24.513 25.667 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -2.337 26.099 25.745 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -2.705 26.606 24.108 1.00 1.00 H new ATOM 314 N ALA A 20 -0.833 23.753 25.728 1.00 1.00 N ATOM 315 CA ALA A 20 -0.009 23.245 26.821 1.00 1.00 C ATOM 316 C ALA A 20 0.738 24.385 27.510 1.00 1.00 C ATOM 317 O ALA A 20 0.887 25.475 26.958 1.00 1.00 O ATOM 318 CB ALA A 20 0.983 22.195 26.284 1.00 1.00 C ATOM 0 H ALA A 20 -0.399 24.501 25.187 1.00 1.00 H new ATOM 0 HA ALA A 20 -0.658 22.773 27.559 1.00 1.00 H new ATOM 0 HB1 ALA A 20 1.595 21.820 27.104 1.00 1.00 H new ATOM 0 HB2 ALA A 20 0.431 21.369 25.836 1.00 1.00 H new ATOM 0 HB3 ALA A 20 1.626 22.653 25.532 1.00 1.00 H new ATOM 324 N VAL A 21 1.233 24.106 28.704 1.00 1.00 N ATOM 325 CA VAL A 21 1.993 25.089 29.449 1.00 1.00 C ATOM 326 C VAL A 21 3.314 25.296 28.728 1.00 1.00 C ATOM 327 O VAL A 21 3.810 26.415 28.603 1.00 1.00 O ATOM 328 CB VAL A 21 2.225 24.601 30.885 1.00 1.00 C ATOM 329 CG1 VAL A 21 2.509 23.098 30.884 1.00 1.00 C ATOM 330 CG2 VAL A 21 3.411 25.342 31.520 1.00 1.00 C ATOM 0 H VAL A 21 1.121 23.208 29.175 1.00 1.00 H new ATOM 0 HA VAL A 21 1.449 26.032 29.507 1.00 1.00 H new ATOM 0 HB VAL A 21 1.326 24.804 31.468 1.00 1.00 H new ATOM 0 HG11 VAL A 21 2.673 22.758 31.907 1.00 1.00 H new ATOM 0 HG12 VAL A 21 1.658 22.567 30.457 1.00 1.00 H new ATOM 0 HG13 VAL A 21 3.399 22.896 30.288 1.00 1.00 H new ATOM 0 HG21 VAL A 21 3.561 24.983 32.538 1.00 1.00 H new ATOM 0 HG22 VAL A 21 4.311 25.158 30.934 1.00 1.00 H new ATOM 0 HG23 VAL A 21 3.203 26.412 31.539 1.00 1.00 H new ATOM 340 N ASP A 22 3.872 24.192 28.262 1.00 1.00 N ATOM 341 CA ASP A 22 5.139 24.217 27.553 1.00 1.00 C ATOM 342 C ASP A 22 5.226 23.038 26.594 1.00 1.00 C ATOM 343 O ASP A 22 4.287 22.255 26.461 1.00 1.00 O ATOM 344 CB ASP A 22 6.283 24.131 28.566 1.00 1.00 C ATOM 345 CG ASP A 22 6.159 22.853 29.388 1.00 1.00 C ATOM 346 OD1 ASP A 22 5.366 22.005 29.014 1.00 1.00 O ATOM 347 OD2 ASP A 22 6.852 22.746 30.387 1.00 1.00 O ATOM 0 H ASP A 22 3.465 23.262 28.363 1.00 1.00 H new ATOM 0 HA ASP A 22 5.213 25.144 26.984 1.00 1.00 H new ATOM 0 HB2 ASP A 22 7.241 24.147 28.047 1.00 1.00 H new ATOM 0 HB3 ASP A 22 6.263 25.000 29.224 1.00 1.00 H new ATOM 352 N ALA A 23 6.374 22.909 25.938 1.00 1.00 N ATOM 353 CA ALA A 23 6.598 21.814 25.008 1.00 1.00 C ATOM 354 C ALA A 23 6.722 20.502 25.766 1.00 1.00 C ATOM 355 O ALA A 23 6.286 19.454 25.293 1.00 1.00 O ATOM 356 CB ALA A 23 7.865 22.073 24.190 1.00 1.00 C ATOM 0 H ALA A 23 7.162 23.550 26.034 1.00 1.00 H new ATOM 0 HA ALA A 23 5.748 21.747 24.329 1.00 1.00 H new ATOM 0 HB1 ALA A 23 8.025 21.248 23.496 1.00 1.00 H new ATOM 0 HB2 ALA A 23 7.753 23.001 23.630 1.00 1.00 H new ATOM 0 HB3 ALA A 23 8.721 22.154 24.860 1.00 1.00 H new ATOM 362 N ALA A 24 7.314 20.580 26.953 1.00 1.00 N ATOM 363 CA ALA A 24 7.499 19.402 27.787 1.00 1.00 C ATOM 364 C ALA A 24 6.167 18.667 27.949 1.00 1.00 C ATOM 365 O ALA A 24 6.136 17.446 28.067 1.00 1.00 O ATOM 366 CB ALA A 24 8.046 19.801 29.160 1.00 1.00 C ATOM 0 H ALA A 24 7.673 21.445 27.357 1.00 1.00 H new ATOM 0 HA ALA A 24 8.218 18.740 27.305 1.00 1.00 H new ATOM 0 HB1 ALA A 24 8.179 18.909 29.772 1.00 1.00 H new ATOM 0 HB2 ALA A 24 9.006 20.303 29.037 1.00 1.00 H new ATOM 0 HB3 ALA A 24 7.343 20.475 29.650 1.00 1.00 H new ATOM 372 N THR A 25 5.068 19.428 27.958 1.00 1.00 N ATOM 373 CA THR A 25 3.732 18.852 28.113 1.00 1.00 C ATOM 374 C THR A 25 3.156 18.459 26.753 1.00 1.00 C ATOM 375 O THR A 25 2.731 17.323 26.553 1.00 1.00 O ATOM 376 CB THR A 25 2.791 19.871 28.792 1.00 1.00 C ATOM 377 OG1 THR A 25 2.996 21.151 28.216 1.00 1.00 O ATOM 378 CG2 THR A 25 3.059 19.959 30.305 1.00 1.00 C ATOM 0 H THR A 25 5.079 20.443 27.860 1.00 1.00 H new ATOM 0 HA THR A 25 3.814 17.961 28.735 1.00 1.00 H new ATOM 0 HB THR A 25 1.764 19.539 28.640 1.00 1.00 H new ATOM 0 HG1 THR A 25 3.770 21.579 28.638 1.00 1.00 H new ATOM 0 HG21 THR A 25 2.380 20.685 30.753 1.00 1.00 H new ATOM 0 HG22 THR A 25 2.898 18.982 30.761 1.00 1.00 H new ATOM 0 HG23 THR A 25 4.089 20.273 30.474 1.00 1.00 H new ATOM 386 N ALA A 26 3.119 19.414 25.833 1.00 1.00 N ATOM 387 CA ALA A 26 2.566 19.151 24.509 1.00 1.00 C ATOM 388 C ALA A 26 3.221 17.928 23.859 1.00 1.00 C ATOM 389 O ALA A 26 2.561 17.176 23.144 1.00 1.00 O ATOM 390 CB ALA A 26 2.762 20.380 23.613 1.00 1.00 C ATOM 0 H ALA A 26 3.460 20.365 25.974 1.00 1.00 H new ATOM 0 HA ALA A 26 1.502 18.942 24.624 1.00 1.00 H new ATOM 0 HB1 ALA A 26 2.348 20.180 22.625 1.00 1.00 H new ATOM 0 HB2 ALA A 26 2.252 21.237 24.054 1.00 1.00 H new ATOM 0 HB3 ALA A 26 3.826 20.599 23.523 1.00 1.00 H new ATOM 396 N GLU A 27 4.516 17.735 24.102 1.00 1.00 N ATOM 397 CA GLU A 27 5.232 16.601 23.502 1.00 1.00 C ATOM 398 C GLU A 27 4.640 15.263 23.952 1.00 1.00 C ATOM 399 O GLU A 27 4.403 14.374 23.133 1.00 1.00 O ATOM 400 CB GLU A 27 6.744 16.677 23.837 1.00 1.00 C ATOM 401 CG GLU A 27 7.077 16.015 25.185 1.00 1.00 C ATOM 402 CD GLU A 27 8.545 16.254 25.546 1.00 1.00 C ATOM 403 OE1 GLU A 27 9.354 16.327 24.636 1.00 1.00 O ATOM 404 OE2 GLU A 27 8.832 16.353 26.727 1.00 1.00 O ATOM 0 H GLU A 27 5.086 18.335 24.698 1.00 1.00 H new ATOM 0 HA GLU A 27 5.113 16.664 22.420 1.00 1.00 H new ATOM 0 HB2 GLU A 27 7.314 16.191 23.045 1.00 1.00 H new ATOM 0 HB3 GLU A 27 7.057 17.721 23.860 1.00 1.00 H new ATOM 0 HG2 GLU A 27 6.433 16.420 25.966 1.00 1.00 H new ATOM 0 HG3 GLU A 27 6.878 14.945 25.131 1.00 1.00 H new ATOM 411 N LYS A 28 4.413 15.123 25.248 1.00 1.00 N ATOM 412 CA LYS A 28 3.864 13.886 25.794 1.00 1.00 C ATOM 413 C LYS A 28 2.398 13.726 25.412 1.00 1.00 C ATOM 414 O LYS A 28 1.904 12.613 25.248 1.00 1.00 O ATOM 415 CB LYS A 28 4.034 13.883 27.314 1.00 1.00 C ATOM 416 CG LYS A 28 5.501 13.583 27.656 1.00 1.00 C ATOM 417 CD LYS A 28 5.701 13.558 29.179 1.00 1.00 C ATOM 418 CE LYS A 28 5.847 14.989 29.723 1.00 1.00 C ATOM 419 NZ LYS A 28 6.154 14.937 31.198 1.00 1.00 N ATOM 0 H LYS A 28 4.599 15.847 25.942 1.00 1.00 H new ATOM 0 HA LYS A 28 4.407 13.040 25.373 1.00 1.00 H new ATOM 0 HB2 LYS A 28 3.742 14.849 27.727 1.00 1.00 H new ATOM 0 HB3 LYS A 28 3.382 13.134 27.764 1.00 1.00 H new ATOM 0 HG2 LYS A 28 5.792 12.623 27.229 1.00 1.00 H new ATOM 0 HG3 LYS A 28 6.147 14.339 27.210 1.00 1.00 H new ATOM 0 HD2 LYS A 28 4.853 13.065 29.656 1.00 1.00 H new ATOM 0 HD3 LYS A 28 6.589 12.976 29.426 1.00 1.00 H new ATOM 0 HE2 LYS A 28 6.643 15.511 29.193 1.00 1.00 H new ATOM 0 HE3 LYS A 28 4.928 15.550 29.551 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 6.253 15.905 31.566 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 5.380 14.454 31.697 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 7.042 14.417 31.350 1.00 1.00 H new ATOM 433 N VAL A 29 1.703 14.844 25.274 1.00 1.00 N ATOM 434 CA VAL A 29 0.288 14.812 24.924 1.00 1.00 C ATOM 435 C VAL A 29 0.097 14.368 23.474 1.00 1.00 C ATOM 436 O VAL A 29 -0.785 13.566 23.174 1.00 1.00 O ATOM 437 CB VAL A 29 -0.323 16.204 25.119 1.00 1.00 C ATOM 438 CG1 VAL A 29 -1.765 16.221 24.605 1.00 1.00 C ATOM 439 CG2 VAL A 29 -0.318 16.562 26.607 1.00 1.00 C ATOM 0 H VAL A 29 2.090 15.780 25.397 1.00 1.00 H new ATOM 0 HA VAL A 29 -0.213 14.095 25.575 1.00 1.00 H new ATOM 0 HB VAL A 29 0.268 16.930 24.561 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -2.191 17.214 24.748 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -1.776 15.971 23.544 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -2.356 15.490 25.156 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -0.753 17.552 26.744 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -0.905 15.828 27.160 1.00 1.00 H new ATOM 0 HG23 VAL A 29 0.707 16.561 26.978 1.00 1.00 H new ATOM 449 N PHE A 30 0.920 14.896 22.576 1.00 1.00 N ATOM 450 CA PHE A 30 0.807 14.542 21.165 1.00 1.00 C ATOM 451 C PHE A 30 1.212 13.096 20.925 1.00 1.00 C ATOM 452 O PHE A 30 0.594 12.396 20.127 1.00 1.00 O ATOM 453 CB PHE A 30 1.711 15.420 20.304 1.00 1.00 C ATOM 454 CG PHE A 30 1.191 16.839 20.203 1.00 1.00 C ATOM 455 CD1 PHE A 30 -0.142 17.098 19.822 1.00 1.00 C ATOM 456 CD2 PHE A 30 2.056 17.913 20.452 1.00 1.00 C ATOM 457 CE1 PHE A 30 -0.584 18.414 19.693 1.00 1.00 C ATOM 458 CE2 PHE A 30 1.597 19.227 20.324 1.00 1.00 C ATOM 459 CZ PHE A 30 0.276 19.474 19.938 1.00 1.00 C ATOM 0 H PHE A 30 1.662 15.561 22.794 1.00 1.00 H new ATOM 0 HA PHE A 30 -0.238 14.690 20.892 1.00 1.00 H new ATOM 0 HB2 PHE A 30 2.716 15.431 20.727 1.00 1.00 H new ATOM 0 HB3 PHE A 30 1.790 14.990 19.305 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -0.819 16.279 19.631 1.00 1.00 H new ATOM 0 HD2 PHE A 30 3.079 17.725 20.743 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -1.605 18.610 19.400 1.00 1.00 H new ATOM 0 HE2 PHE A 30 2.264 20.053 20.524 1.00 1.00 H new ATOM 0 HZ PHE A 30 -0.074 20.490 19.831 1.00 1.00 H new ATOM 469 N LYS A 31 2.255 12.662 21.604 1.00 1.00 N ATOM 470 CA LYS A 31 2.718 11.304 21.444 1.00 1.00 C ATOM 471 C LYS A 31 1.642 10.364 21.953 1.00 1.00 C ATOM 472 O LYS A 31 1.395 9.317 21.367 1.00 1.00 O ATOM 473 CB LYS A 31 4.039 11.101 22.179 1.00 1.00 C ATOM 474 CG LYS A 31 5.137 11.868 21.436 1.00 1.00 C ATOM 475 CD LYS A 31 6.466 11.752 22.194 1.00 1.00 C ATOM 476 CE LYS A 31 7.573 12.563 21.476 1.00 1.00 C ATOM 477 NZ LYS A 31 8.068 13.625 22.399 1.00 1.00 N ATOM 0 H LYS A 31 2.791 13.225 22.264 1.00 1.00 H new ATOM 0 HA LYS A 31 2.904 11.091 20.391 1.00 1.00 H new ATOM 0 HB2 LYS A 31 3.958 11.457 23.206 1.00 1.00 H new ATOM 0 HB3 LYS A 31 4.285 10.040 22.227 1.00 1.00 H new ATOM 0 HG2 LYS A 31 5.249 11.472 20.427 1.00 1.00 H new ATOM 0 HG3 LYS A 31 4.856 12.917 21.337 1.00 1.00 H new ATOM 0 HD2 LYS A 31 6.343 12.117 23.214 1.00 1.00 H new ATOM 0 HD3 LYS A 31 6.761 10.705 22.264 1.00 1.00 H new ATOM 0 HE2 LYS A 31 8.392 11.906 21.183 1.00 1.00 H new ATOM 0 HE3 LYS A 31 7.181 13.010 20.563 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 8.543 14.369 21.849 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 7.266 14.036 22.917 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 8.741 13.211 23.075 1.00 1.00 H new ATOM 491 N GLN A 32 0.956 10.778 23.016 1.00 1.00 N ATOM 492 CA GLN A 32 -0.143 9.977 23.535 1.00 1.00 C ATOM 493 C GLN A 32 -1.206 9.822 22.461 1.00 1.00 C ATOM 494 O GLN A 32 -1.736 8.742 22.248 1.00 1.00 O ATOM 495 CB GLN A 32 -0.797 10.600 24.772 1.00 1.00 C ATOM 496 CG GLN A 32 -2.056 9.784 25.132 1.00 1.00 C ATOM 497 CD GLN A 32 -2.511 10.122 26.544 1.00 1.00 C ATOM 498 OE1 GLN A 32 -3.451 9.513 27.053 1.00 1.00 O ATOM 499 NE2 GLN A 32 -1.895 11.060 27.218 1.00 1.00 N ATOM 0 H GLN A 32 1.138 11.644 23.523 1.00 1.00 H new ATOM 0 HA GLN A 32 0.276 9.013 23.824 1.00 1.00 H new ATOM 0 HB2 GLN A 32 -0.097 10.603 25.608 1.00 1.00 H new ATOM 0 HB3 GLN A 32 -1.064 11.638 24.576 1.00 1.00 H new ATOM 0 HG2 GLN A 32 -2.855 10.001 24.422 1.00 1.00 H new ATOM 0 HG3 GLN A 32 -1.842 8.718 25.056 1.00 1.00 H new ATOM 0 HE21 GLN A 32 -1.116 11.564 26.795 1.00 1.00 H new ATOM 0 HE22 GLN A 32 -2.194 11.287 28.166 1.00 1.00 H new ATOM 508 N TYR A 33 -1.522 10.928 21.800 1.00 1.00 N ATOM 509 CA TYR A 33 -2.533 10.906 20.757 1.00 1.00 C ATOM 510 C TYR A 33 -2.073 9.914 19.697 1.00 1.00 C ATOM 511 O TYR A 33 -2.818 9.010 19.323 1.00 1.00 O ATOM 512 CB TYR A 33 -2.696 12.345 20.214 1.00 1.00 C ATOM 513 CG TYR A 33 -2.953 12.375 18.725 1.00 1.00 C ATOM 514 CD1 TYR A 33 -1.867 12.327 17.850 1.00 1.00 C ATOM 515 CD2 TYR A 33 -4.253 12.482 18.225 1.00 1.00 C ATOM 516 CE1 TYR A 33 -2.073 12.387 16.467 1.00 1.00 C ATOM 517 CE2 TYR A 33 -4.465 12.552 16.843 1.00 1.00 C ATOM 518 CZ TYR A 33 -3.375 12.500 15.961 1.00 1.00 C ATOM 519 OH TYR A 33 -3.590 12.561 14.598 1.00 1.00 O ATOM 0 H TYR A 33 -1.097 11.840 21.966 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.510 10.584 21.117 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -3.521 12.834 20.732 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -1.796 12.918 20.436 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -0.864 12.243 18.241 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.093 12.511 18.903 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -1.231 12.346 15.792 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -5.469 12.646 16.455 1.00 1.00 H new ATOM 0 HH TYR A 33 -4.551 12.637 14.421 1.00 1.00 H new ATOM 529 N ALA A 34 -0.829 10.046 19.275 1.00 1.00 N ATOM 530 CA ALA A 34 -0.264 9.120 18.313 1.00 1.00 C ATOM 531 C ALA A 34 -0.277 7.702 18.907 1.00 1.00 C ATOM 532 O ALA A 34 -0.526 6.722 18.211 1.00 1.00 O ATOM 533 CB ALA A 34 1.182 9.550 18.002 1.00 1.00 C ATOM 0 H ALA A 34 -0.193 10.782 19.582 1.00 1.00 H new ATOM 0 HA ALA A 34 -0.850 9.125 17.394 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.619 8.861 17.279 1.00 1.00 H new ATOM 0 HB2 ALA A 34 1.181 10.558 17.588 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.771 9.535 18.919 1.00 1.00 H new ATOM 539 N ASN A 35 0.069 7.586 20.192 1.00 1.00 N ATOM 540 CA ASN A 35 0.138 6.273 20.819 1.00 1.00 C ATOM 541 C ASN A 35 -1.255 5.688 20.910 1.00 1.00 C ATOM 542 O ASN A 35 -1.464 4.509 20.605 1.00 1.00 O ATOM 543 CB ASN A 35 0.765 6.353 22.206 1.00 1.00 C ATOM 544 CG ASN A 35 0.972 4.963 22.794 1.00 1.00 C ATOM 545 OD1 ASN A 35 0.108 4.454 23.512 1.00 1.00 O ATOM 546 ND2 ASN A 35 2.094 4.341 22.553 1.00 1.00 N ATOM 0 H ASN A 35 0.300 8.369 20.803 1.00 1.00 H new ATOM 0 HA ASN A 35 0.769 5.629 20.207 1.00 1.00 H new ATOM 0 HB2 ASN A 35 1.721 6.873 22.147 1.00 1.00 H new ATOM 0 HB3 ASN A 35 0.124 6.939 22.865 1.00 1.00 H new ATOM 0 HD21 ASN A 35 2.265 3.422 22.960 1.00 1.00 H new ATOM 0 HD22 ASN A 35 2.800 4.774 21.957 1.00 1.00 H new ATOM 553 N ASP A 36 -2.216 6.520 21.294 1.00 1.00 N ATOM 554 CA ASP A 36 -3.578 6.069 21.388 1.00 1.00 C ATOM 555 C ASP A 36 -4.083 5.808 19.986 1.00 1.00 C ATOM 556 O ASP A 36 -5.045 5.067 19.798 1.00 1.00 O ATOM 557 CB ASP A 36 -4.434 7.138 22.058 1.00 1.00 C ATOM 558 CG ASP A 36 -4.089 7.243 23.536 1.00 1.00 C ATOM 559 OD1 ASP A 36 -3.451 6.335 24.049 1.00 1.00 O ATOM 560 OD2 ASP A 36 -4.456 8.240 24.127 1.00 1.00 O ATOM 0 H ASP A 36 -2.069 7.499 21.541 1.00 1.00 H new ATOM 0 HA ASP A 36 -3.634 5.159 21.985 1.00 1.00 H new ATOM 0 HB2 ASP A 36 -4.273 8.100 21.571 1.00 1.00 H new ATOM 0 HB3 ASP A 36 -5.490 6.894 21.941 1.00 1.00 H new ATOM 565 N ASN A 37 -3.435 6.439 18.991 1.00 1.00 N ATOM 566 CA ASN A 37 -3.878 6.247 17.601 1.00 1.00 C ATOM 567 C ASN A 37 -2.989 5.253 16.858 1.00 1.00 C ATOM 568 O ASN A 37 -3.078 5.110 15.636 1.00 1.00 O ATOM 569 CB ASN A 37 -3.905 7.584 16.859 1.00 1.00 C ATOM 570 CG ASN A 37 -5.092 8.421 17.329 1.00 1.00 C ATOM 571 OD1 ASN A 37 -6.037 7.902 17.914 1.00 1.00 O ATOM 572 ND2 ASN A 37 -5.066 9.711 17.123 1.00 1.00 N ATOM 0 H ASN A 37 -2.636 7.061 19.114 1.00 1.00 H new ATOM 0 HA ASN A 37 -4.887 5.835 17.633 1.00 1.00 H new ATOM 0 HB2 ASN A 37 -2.976 8.126 17.035 1.00 1.00 H new ATOM 0 HB3 ASN A 37 -3.974 7.411 15.785 1.00 1.00 H new ATOM 0 HD21 ASN A 37 -5.836 10.295 17.450 1.00 1.00 H new ATOM 0 HD22 ASN A 37 -4.276 10.134 16.636 1.00 1.00 H new ATOM 579 N GLY A 38 -2.164 4.508 17.596 1.00 1.00 N ATOM 580 CA GLY A 38 -1.326 3.490 16.975 1.00 1.00 C ATOM 581 C GLY A 38 -0.308 4.064 15.994 1.00 1.00 C ATOM 582 O GLY A 38 0.093 3.368 15.061 1.00 1.00 O ATOM 0 H GLY A 38 -2.061 4.590 18.607 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -0.799 2.938 17.754 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -1.961 2.775 16.452 1.00 1.00 H new ATOM 586 N VAL A 39 0.145 5.307 16.162 1.00 1.00 N ATOM 587 CA VAL A 39 1.130 5.859 15.239 1.00 1.00 C ATOM 588 C VAL A 39 2.545 5.581 15.760 1.00 1.00 C ATOM 589 O VAL A 39 2.833 5.842 16.931 1.00 1.00 O ATOM 590 CB VAL A 39 0.926 7.369 15.142 1.00 1.00 C ATOM 591 CG1 VAL A 39 1.701 7.926 13.954 1.00 1.00 C ATOM 592 CG2 VAL A 39 -0.563 7.677 14.956 1.00 1.00 C ATOM 0 H VAL A 39 -0.147 5.936 16.910 1.00 1.00 H new ATOM 0 HA VAL A 39 1.007 5.397 14.260 1.00 1.00 H new ATOM 0 HB VAL A 39 1.288 7.832 16.060 1.00 1.00 H new ATOM 0 HG11 VAL A 39 1.549 9.004 13.893 1.00 1.00 H new ATOM 0 HG12 VAL A 39 2.763 7.716 14.082 1.00 1.00 H new ATOM 0 HG13 VAL A 39 1.346 7.457 13.036 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -0.706 8.755 14.887 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -0.921 7.204 14.041 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -1.124 7.291 15.807 1.00 1.00 H new ATOM 602 N ASP A 40 3.422 5.084 14.895 1.00 1.00 N ATOM 603 CA ASP A 40 4.807 4.811 15.262 1.00 1.00 C ATOM 604 C ASP A 40 5.704 5.348 14.150 1.00 1.00 C ATOM 605 O ASP A 40 5.706 4.789 13.053 1.00 1.00 O ATOM 606 CB ASP A 40 5.009 3.293 15.387 1.00 1.00 C ATOM 607 CG ASP A 40 6.375 2.987 15.994 1.00 1.00 C ATOM 608 OD1 ASP A 40 7.184 3.900 16.061 1.00 1.00 O ATOM 609 OD2 ASP A 40 6.554 1.878 16.467 1.00 1.00 O ATOM 0 H ASP A 40 3.195 4.860 13.926 1.00 1.00 H new ATOM 0 HA ASP A 40 5.051 5.286 16.212 1.00 1.00 H new ATOM 0 HB2 ASP A 40 4.223 2.865 16.009 1.00 1.00 H new ATOM 0 HB3 ASP A 40 4.927 2.827 14.405 1.00 1.00 H new ATOM 614 N GLY A 41 6.451 6.412 14.413 1.00 1.00 N ATOM 615 CA GLY A 41 7.319 6.976 13.390 1.00 1.00 C ATOM 616 C GLY A 41 8.489 7.736 13.994 1.00 1.00 C ATOM 617 O GLY A 41 8.946 7.430 15.094 1.00 1.00 O ATOM 0 H GLY A 41 6.474 6.895 15.311 1.00 1.00 H new ATOM 0 HA2 GLY A 41 7.696 6.176 12.753 1.00 1.00 H new ATOM 0 HA3 GLY A 41 6.741 7.646 12.753 1.00 1.00 H new ATOM 621 N GLU A 42 8.946 8.760 13.275 1.00 1.00 N ATOM 622 CA GLU A 42 10.041 9.584 13.741 1.00 1.00 C ATOM 623 C GLU A 42 9.438 10.884 14.217 1.00 1.00 C ATOM 624 O GLU A 42 8.495 11.373 13.619 1.00 1.00 O ATOM 625 CB GLU A 42 11.026 9.852 12.607 1.00 1.00 C ATOM 626 CG GLU A 42 11.690 8.540 12.197 1.00 1.00 C ATOM 627 CD GLU A 42 12.605 8.747 10.997 1.00 1.00 C ATOM 628 OE1 GLU A 42 12.635 9.851 10.473 1.00 1.00 O ATOM 629 OE2 GLU A 42 13.259 7.793 10.610 1.00 1.00 O ATOM 0 H GLU A 42 8.569 9.033 12.367 1.00 1.00 H new ATOM 0 HA GLU A 42 10.586 9.085 14.542 1.00 1.00 H new ATOM 0 HB2 GLU A 42 10.507 10.292 11.755 1.00 1.00 H new ATOM 0 HB3 GLU A 42 11.780 10.571 12.927 1.00 1.00 H new ATOM 0 HG2 GLU A 42 12.264 8.141 13.033 1.00 1.00 H new ATOM 0 HG3 GLU A 42 10.926 7.801 11.954 1.00 1.00 H new ATOM 636 N TRP A 43 9.954 11.408 15.314 1.00 1.00 N ATOM 637 CA TRP A 43 9.421 12.629 15.924 1.00 1.00 C ATOM 638 C TRP A 43 10.432 13.753 15.964 1.00 1.00 C ATOM 639 O TRP A 43 11.631 13.551 16.174 1.00 1.00 O ATOM 640 CB TRP A 43 8.996 12.345 17.358 1.00 1.00 C ATOM 641 CG TRP A 43 7.758 11.535 17.356 1.00 1.00 C ATOM 642 CD1 TRP A 43 7.717 10.189 17.253 1.00 1.00 C ATOM 643 CD2 TRP A 43 6.376 11.980 17.492 1.00 1.00 C ATOM 644 NE1 TRP A 43 6.398 9.774 17.279 1.00 1.00 N ATOM 645 CE2 TRP A 43 5.541 10.841 17.430 1.00 1.00 C ATOM 646 CE3 TRP A 43 5.771 13.244 17.649 1.00 1.00 C ATOM 647 CZ2 TRP A 43 4.161 10.957 17.519 1.00 1.00 C ATOM 648 CZ3 TRP A 43 4.375 13.358 17.742 1.00 1.00 C ATOM 649 CH2 TRP A 43 3.568 12.210 17.671 1.00 1.00 C ATOM 0 H TRP A 43 10.750 11.008 15.811 1.00 1.00 H new ATOM 0 HA TRP A 43 8.578 12.939 15.306 1.00 1.00 H new ATOM 0 HB2 TRP A 43 9.789 11.815 17.885 1.00 1.00 H new ATOM 0 HB3 TRP A 43 8.830 13.281 17.891 1.00 1.00 H new ATOM 0 HD1 TRP A 43 8.576 9.541 17.165 1.00 1.00 H new ATOM 0 HE1 TRP A 43 6.099 8.802 17.197 1.00 1.00 H new ATOM 0 HE3 TRP A 43 6.386 14.130 17.698 1.00 1.00 H new ATOM 0 HZ2 TRP A 43 3.543 10.073 17.470 1.00 1.00 H new ATOM 0 HZ3 TRP A 43 3.921 14.330 17.868 1.00 1.00 H new ATOM 0 HH2 TRP A 43 2.493 12.298 17.734 1.00 1.00 H new ATOM 660 N THR A 44 9.908 14.946 15.762 1.00 1.00 N ATOM 661 CA THR A 44 10.702 16.161 15.771 1.00 1.00 C ATOM 662 C THR A 44 9.893 17.292 16.402 1.00 1.00 C ATOM 663 O THR A 44 8.663 17.230 16.427 1.00 1.00 O ATOM 664 CB THR A 44 11.021 16.524 14.334 1.00 1.00 C ATOM 665 OG1 THR A 44 11.509 17.858 14.259 1.00 1.00 O ATOM 666 CG2 THR A 44 9.735 16.383 13.521 1.00 1.00 C ATOM 0 H THR A 44 8.915 15.102 15.586 1.00 1.00 H new ATOM 0 HA THR A 44 11.618 16.010 16.343 1.00 1.00 H new ATOM 0 HB THR A 44 11.793 15.864 13.939 1.00 1.00 H new ATOM 0 HG1 THR A 44 11.713 18.080 13.326 1.00 1.00 H new ATOM 0 HG21 THR A 44 9.933 16.638 12.480 1.00 1.00 H new ATOM 0 HG22 THR A 44 9.377 15.355 13.581 1.00 1.00 H new ATOM 0 HG23 THR A 44 8.976 17.055 13.921 1.00 1.00 H new ATOM 674 N TYR A 45 10.567 18.338 16.883 1.00 1.00 N ATOM 675 CA TYR A 45 9.850 19.471 17.475 1.00 1.00 C ATOM 676 C TYR A 45 10.516 20.798 17.153 1.00 1.00 C ATOM 677 O TYR A 45 11.737 20.938 17.241 1.00 1.00 O ATOM 678 CB TYR A 45 9.740 19.304 18.995 1.00 1.00 C ATOM 679 CG TYR A 45 9.187 20.574 19.623 1.00 1.00 C ATOM 680 CD1 TYR A 45 7.916 21.039 19.246 1.00 1.00 C ATOM 681 CD2 TYR A 45 9.919 21.281 20.578 1.00 1.00 C ATOM 682 CE1 TYR A 45 7.390 22.196 19.821 1.00 1.00 C ATOM 683 CE2 TYR A 45 9.391 22.444 21.158 1.00 1.00 C ATOM 684 CZ TYR A 45 8.127 22.899 20.777 1.00 1.00 C ATOM 685 OH TYR A 45 7.615 24.053 21.336 1.00 1.00 O ATOM 0 H TYR A 45 11.583 18.426 16.876 1.00 1.00 H new ATOM 0 HA TYR A 45 8.852 19.481 17.037 1.00 1.00 H new ATOM 0 HB2 TYR A 45 9.091 18.461 19.230 1.00 1.00 H new ATOM 0 HB3 TYR A 45 10.720 19.078 19.415 1.00 1.00 H new ATOM 0 HD1 TYR A 45 7.343 20.498 18.507 1.00 1.00 H new ATOM 0 HD2 TYR A 45 10.897 20.931 20.872 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.412 22.548 19.527 1.00 1.00 H new ATOM 0 HE2 TYR A 45 9.961 22.986 21.898 1.00 1.00 H new ATOM 0 HH TYR A 45 8.256 24.415 21.983 1.00 1.00 H new ATOM 695 N ASP A 46 9.684 21.795 16.840 1.00 1.00 N ATOM 696 CA ASP A 46 10.177 23.143 16.570 1.00 1.00 C ATOM 697 C ASP A 46 9.583 24.107 17.599 1.00 1.00 C ATOM 698 O ASP A 46 8.358 24.236 17.706 1.00 1.00 O ATOM 699 CB ASP A 46 9.794 23.594 15.160 1.00 1.00 C ATOM 700 CG ASP A 46 10.344 24.993 14.900 1.00 1.00 C ATOM 701 OD1 ASP A 46 10.868 25.591 15.826 1.00 1.00 O ATOM 702 OD2 ASP A 46 10.225 25.447 13.775 1.00 1.00 O ATOM 0 H ASP A 46 8.672 21.693 16.768 1.00 1.00 H new ATOM 0 HA ASP A 46 11.265 23.141 16.642 1.00 1.00 H new ATOM 0 HB2 ASP A 46 10.190 22.894 14.424 1.00 1.00 H new ATOM 0 HB3 ASP A 46 8.710 23.593 15.049 1.00 1.00 H new ATOM 707 N ASP A 47 10.452 24.760 18.369 1.00 1.00 N ATOM 708 CA ASP A 47 9.995 25.681 19.407 1.00 1.00 C ATOM 709 C ASP A 47 9.697 27.062 18.837 1.00 1.00 C ATOM 710 O ASP A 47 8.970 27.846 19.450 1.00 1.00 O ATOM 711 CB ASP A 47 11.087 25.823 20.472 1.00 1.00 C ATOM 712 CG ASP A 47 10.738 26.949 21.443 1.00 1.00 C ATOM 713 OD1 ASP A 47 9.748 26.816 22.142 1.00 1.00 O ATOM 714 OD2 ASP A 47 11.474 27.922 21.478 1.00 1.00 O ATOM 0 H ASP A 47 11.465 24.670 18.295 1.00 1.00 H new ATOM 0 HA ASP A 47 9.080 25.274 19.837 1.00 1.00 H new ATOM 0 HB2 ASP A 47 11.197 24.885 21.017 1.00 1.00 H new ATOM 0 HB3 ASP A 47 12.045 26.029 19.995 1.00 1.00 H new ATOM 719 N ALA A 48 10.277 27.386 17.692 1.00 1.00 N ATOM 720 CA ALA A 48 10.045 28.709 17.131 1.00 1.00 C ATOM 721 C ALA A 48 8.700 28.766 16.415 1.00 1.00 C ATOM 722 O ALA A 48 8.138 29.845 16.225 1.00 1.00 O ATOM 723 CB ALA A 48 11.157 29.070 16.154 1.00 1.00 C ATOM 0 H ALA A 48 10.890 26.778 17.149 1.00 1.00 H new ATOM 0 HA ALA A 48 10.037 29.427 17.951 1.00 1.00 H new ATOM 0 HB1 ALA A 48 10.971 30.062 15.742 1.00 1.00 H new ATOM 0 HB2 ALA A 48 12.114 29.067 16.675 1.00 1.00 H new ATOM 0 HB3 ALA A 48 11.182 28.340 15.345 1.00 1.00 H new ATOM 729 N THR A 49 8.196 27.602 16.003 1.00 1.00 N ATOM 730 CA THR A 49 6.918 27.524 15.288 1.00 1.00 C ATOM 731 C THR A 49 5.875 26.797 16.133 1.00 1.00 C ATOM 732 O THR A 49 4.697 26.777 15.780 1.00 1.00 O ATOM 733 CB THR A 49 7.107 26.795 13.948 1.00 1.00 C ATOM 734 OG1 THR A 49 7.902 25.641 14.156 1.00 1.00 O ATOM 735 CG2 THR A 49 7.796 27.727 12.939 1.00 1.00 C ATOM 0 H THR A 49 8.651 26.701 16.151 1.00 1.00 H new ATOM 0 HA THR A 49 6.566 28.538 15.097 1.00 1.00 H new ATOM 0 HB THR A 49 6.135 26.503 13.551 1.00 1.00 H new ATOM 0 HG1 THR A 49 8.582 25.581 13.453 1.00 1.00 H new ATOM 0 HG21 THR A 49 7.927 27.204 11.992 1.00 1.00 H new ATOM 0 HG22 THR A 49 7.180 28.613 12.783 1.00 1.00 H new ATOM 0 HG23 THR A 49 8.770 28.026 13.326 1.00 1.00 H new ATOM 743 N LYS A 50 6.312 26.191 17.243 1.00 1.00 N ATOM 744 CA LYS A 50 5.394 25.467 18.114 1.00 1.00 C ATOM 745 C LYS A 50 4.696 24.364 17.333 1.00 1.00 C ATOM 746 O LYS A 50 3.483 24.190 17.440 1.00 1.00 O ATOM 747 CB LYS A 50 4.341 26.426 18.669 1.00 1.00 C ATOM 748 CG LYS A 50 5.012 27.641 19.311 1.00 1.00 C ATOM 749 CD LYS A 50 5.944 27.194 20.440 1.00 1.00 C ATOM 750 CE LYS A 50 6.254 28.378 21.358 1.00 1.00 C ATOM 751 NZ LYS A 50 6.992 27.891 22.556 1.00 1.00 N ATOM 0 H LYS A 50 7.284 26.190 17.552 1.00 1.00 H new ATOM 0 HA LYS A 50 5.963 25.029 18.935 1.00 1.00 H new ATOM 0 HB2 LYS A 50 3.677 26.750 17.868 1.00 1.00 H new ATOM 0 HB3 LYS A 50 3.724 25.912 19.406 1.00 1.00 H new ATOM 0 HG2 LYS A 50 5.577 28.193 18.560 1.00 1.00 H new ATOM 0 HG3 LYS A 50 4.254 28.320 19.702 1.00 1.00 H new ATOM 0 HD2 LYS A 50 5.478 26.391 21.012 1.00 1.00 H new ATOM 0 HD3 LYS A 50 6.868 26.794 20.023 1.00 1.00 H new ATOM 0 HE2 LYS A 50 6.850 29.119 20.826 1.00 1.00 H new ATOM 0 HE3 LYS A 50 5.330 28.870 21.661 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 7.101 28.669 23.237 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 6.461 27.115 22.999 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 7.931 27.548 22.270 1.00 1.00 H new ATOM 765 N THR A 51 5.467 23.632 16.530 1.00 1.00 N ATOM 766 CA THR A 51 4.906 22.555 15.702 1.00 1.00 C ATOM 767 C THR A 51 5.658 21.244 15.906 1.00 1.00 C ATOM 768 O THR A 51 6.882 21.195 15.784 1.00 1.00 O ATOM 769 CB THR A 51 4.972 22.954 14.222 1.00 1.00 C ATOM 770 OG1 THR A 51 4.255 24.164 14.030 1.00 1.00 O ATOM 771 CG2 THR A 51 4.347 21.849 13.364 1.00 1.00 C ATOM 0 H THR A 51 6.474 23.760 16.432 1.00 1.00 H new ATOM 0 HA THR A 51 3.870 22.405 16.004 1.00 1.00 H new ATOM 0 HB THR A 51 6.012 23.094 13.929 1.00 1.00 H new ATOM 0 HG1 THR A 51 4.297 24.423 13.086 1.00 1.00 H new ATOM 0 HG21 THR A 51 4.395 22.134 12.313 1.00 1.00 H new ATOM 0 HG22 THR A 51 4.895 20.919 13.513 1.00 1.00 H new ATOM 0 HG23 THR A 51 3.306 21.707 13.655 1.00 1.00 H new ATOM 779 N PHE A 52 4.911 20.161 16.172 1.00 1.00 N ATOM 780 CA PHE A 52 5.511 18.847 16.336 1.00 1.00 C ATOM 781 C PHE A 52 5.164 18.043 15.111 1.00 1.00 C ATOM 782 O PHE A 52 4.127 18.294 14.499 1.00 1.00 O ATOM 783 CB PHE A 52 4.913 18.132 17.548 1.00 1.00 C ATOM 784 CG PHE A 52 5.389 18.754 18.834 1.00 1.00 C ATOM 785 CD1 PHE A 52 4.709 19.850 19.372 1.00 1.00 C ATOM 786 CD2 PHE A 52 6.494 18.218 19.504 1.00 1.00 C ATOM 787 CE1 PHE A 52 5.133 20.409 20.581 1.00 1.00 C ATOM 788 CE2 PHE A 52 6.917 18.776 20.717 1.00 1.00 C ATOM 789 CZ PHE A 52 6.236 19.872 21.255 1.00 1.00 C ATOM 0 H PHE A 52 3.896 20.179 16.276 1.00 1.00 H new ATOM 0 HA PHE A 52 6.587 18.949 16.475 1.00 1.00 H new ATOM 0 HB2 PHE A 52 3.825 18.176 17.500 1.00 1.00 H new ATOM 0 HB3 PHE A 52 5.190 17.078 17.526 1.00 1.00 H new ATOM 0 HD1 PHE A 52 3.857 20.265 18.854 1.00 1.00 H new ATOM 0 HD2 PHE A 52 7.021 17.373 19.086 1.00 1.00 H new ATOM 0 HE1 PHE A 52 4.608 21.257 20.996 1.00 1.00 H new ATOM 0 HE2 PHE A 52 7.768 18.360 21.236 1.00 1.00 H new ATOM 0 HZ PHE A 52 6.561 20.304 22.190 1.00 1.00 H new ATOM 799 N THR A 53 5.981 17.065 14.744 1.00 1.00 N ATOM 800 CA THR A 53 5.636 16.241 13.591 1.00 1.00 C ATOM 801 C THR A 53 6.010 14.789 13.836 1.00 1.00 C ATOM 802 O THR A 53 7.034 14.499 14.454 1.00 1.00 O ATOM 803 CB THR A 53 6.320 16.740 12.301 1.00 1.00 C ATOM 804 OG1 THR A 53 7.595 16.141 12.166 1.00 1.00 O ATOM 805 CG2 THR A 53 6.469 18.264 12.340 1.00 1.00 C ATOM 0 H THR A 53 6.858 16.827 15.208 1.00 1.00 H new ATOM 0 HA THR A 53 4.557 16.320 13.456 1.00 1.00 H new ATOM 0 HB THR A 53 5.701 16.463 11.447 1.00 1.00 H new ATOM 0 HG1 THR A 53 8.022 16.462 11.344 1.00 1.00 H new ATOM 0 HG21 THR A 53 6.953 18.606 11.425 1.00 1.00 H new ATOM 0 HG22 THR A 53 5.484 18.724 12.423 1.00 1.00 H new ATOM 0 HG23 THR A 53 7.076 18.548 13.199 1.00 1.00 H new ATOM 813 N VAL A 54 5.214 13.877 13.278 1.00 1.00 N ATOM 814 CA VAL A 54 5.520 12.454 13.363 1.00 1.00 C ATOM 815 C VAL A 54 5.270 11.823 12.007 1.00 1.00 C ATOM 816 O VAL A 54 4.287 12.133 11.341 1.00 1.00 O ATOM 817 CB VAL A 54 4.695 11.767 14.450 1.00 1.00 C ATOM 818 CG1 VAL A 54 3.219 11.886 14.122 1.00 1.00 C ATOM 819 CG2 VAL A 54 5.093 10.284 14.550 1.00 1.00 C ATOM 0 H VAL A 54 4.360 14.098 12.767 1.00 1.00 H new ATOM 0 HA VAL A 54 6.567 12.328 13.639 1.00 1.00 H new ATOM 0 HB VAL A 54 4.889 12.250 15.408 1.00 1.00 H new ATOM 0 HG11 VAL A 54 2.633 11.395 14.899 1.00 1.00 H new ATOM 0 HG12 VAL A 54 2.942 12.939 14.069 1.00 1.00 H new ATOM 0 HG13 VAL A 54 3.020 11.410 13.162 1.00 1.00 H new ATOM 0 HG21 VAL A 54 4.501 9.800 15.327 1.00 1.00 H new ATOM 0 HG22 VAL A 54 4.909 9.793 13.595 1.00 1.00 H new ATOM 0 HG23 VAL A 54 6.151 10.207 14.800 1.00 1.00 H new ATOM 829 N THR A 55 6.188 10.967 11.590 1.00 1.00 N ATOM 830 CA THR A 55 6.094 10.323 10.294 1.00 1.00 C ATOM 831 C THR A 55 6.508 8.862 10.381 1.00 1.00 C ATOM 832 O THR A 55 7.627 8.554 10.789 1.00 1.00 O ATOM 833 CB THR A 55 7.021 11.057 9.344 1.00 1.00 C ATOM 834 OG1 THR A 55 6.615 12.411 9.203 1.00 1.00 O ATOM 835 CG2 THR A 55 7.039 10.377 7.978 1.00 1.00 C ATOM 0 H THR A 55 7.009 10.702 12.134 1.00 1.00 H new ATOM 0 HA THR A 55 5.063 10.358 9.941 1.00 1.00 H new ATOM 0 HB THR A 55 8.027 11.030 9.762 1.00 1.00 H new ATOM 0 HG1 THR A 55 7.223 12.873 8.589 1.00 1.00 H new ATOM 0 HG21 THR A 55 7.710 10.918 7.311 1.00 1.00 H new ATOM 0 HG22 THR A 55 7.387 9.350 8.087 1.00 1.00 H new ATOM 0 HG23 THR A 55 6.033 10.376 7.559 1.00 1.00 H new ATOM 843 N GLU A 56 5.617 7.970 9.967 1.00 1.00 N ATOM 844 CA GLU A 56 5.901 6.543 9.976 1.00 1.00 C ATOM 845 C GLU A 56 6.466 6.114 8.622 1.00 1.00 C ATOM 846 O GLU A 56 6.704 4.930 8.449 1.00 1.00 O ATOM 847 CB GLU A 56 4.607 5.775 10.247 1.00 1.00 C ATOM 848 CG GLU A 56 3.808 6.493 11.335 1.00 1.00 C ATOM 849 CD GLU A 56 2.458 5.814 11.522 1.00 1.00 C ATOM 850 OE1 GLU A 56 2.445 4.691 11.998 1.00 1.00 O ATOM 851 OE2 GLU A 56 1.462 6.410 11.159 1.00 1.00 O ATOM 852 OXT GLU A 56 6.625 6.972 7.768 1.00 1.00 O ATOM 0 H GLU A 56 4.689 8.212 9.620 1.00 1.00 H new ATOM 0 HA GLU A 56 6.633 6.328 10.755 1.00 1.00 H new ATOM 0 HB2 GLU A 56 4.016 5.703 9.334 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.835 4.756 10.560 1.00 1.00 H new ATOM 0 HG2 GLU A 56 4.363 6.482 12.273 1.00 1.00 H new ATOM 0 HG3 GLU A 56 3.664 7.538 11.062 1.00 1.00 H new