USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=14 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 8 ASN : amide:sc= 0.771 K(o=0.88,f=-2.4) USER MOD Set 1.2: A 55 THR OG1 : rot 139:sc= 0.11 USER MOD Set 2.1: A 16 THR OG1 : rot 161:sc= 0.305 USER MOD Set 2.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= -1.98 X(o=-2,f=-1.6) USER MOD Single : A 3 TYR OH : rot 15:sc= -1.9 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00262 USER MOD Single : A 13 LYS NZ :NH3+ -161:sc= -10.9! (180deg=-11.6!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 160:sc= 0 USER MOD Single : A 25 THR OG1 : rot 78:sc= -1.07! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -1.53! K(o=-1.5!,f=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 37 ASN : amide:sc= -2.77 K(o=-2.8,f=-5.1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.08 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.402 USER MOD Single : A 49 THR OG1 : rot -130:sc= -1.39! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -3.91! USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -0.305 27.453 22.709 1.00 1.00 N ATOM 21 CA GLN A 2 -0.836 26.563 21.659 1.00 1.00 C ATOM 22 C GLN A 2 0.262 25.918 20.797 1.00 1.00 C ATOM 23 O GLN A 2 1.142 26.591 20.258 1.00 1.00 O ATOM 24 CB GLN A 2 -1.805 27.380 20.759 1.00 1.00 C ATOM 25 CG GLN A 2 -3.239 26.837 20.861 1.00 1.00 C ATOM 26 CD GLN A 2 -3.325 25.464 20.192 1.00 1.00 C ATOM 27 OE1 GLN A 2 -2.910 25.311 19.042 1.00 1.00 O ATOM 28 NE2 GLN A 2 -3.841 24.454 20.840 1.00 1.00 N ATOM 0 HA GLN A 2 -1.357 25.743 22.153 1.00 1.00 H new ATOM 0 HB2 GLN A 2 -1.787 28.428 21.057 1.00 1.00 H new ATOM 0 HB3 GLN A 2 -1.469 27.337 19.723 1.00 1.00 H new ATOM 0 HG2 GLN A 2 -3.535 26.760 21.907 1.00 1.00 H new ATOM 0 HG3 GLN A 2 -3.934 27.528 20.383 1.00 1.00 H new ATOM 0 HE21 GLN A 2 -4.185 24.581 21.792 1.00 1.00 H new ATOM 0 HE22 GLN A 2 -3.900 23.539 20.394 1.00 1.00 H new ATOM 37 N TYR A 3 0.142 24.592 20.659 1.00 1.00 N ATOM 38 CA TYR A 3 1.055 23.789 19.843 1.00 1.00 C ATOM 39 C TYR A 3 0.278 23.114 18.731 1.00 1.00 C ATOM 40 O TYR A 3 -0.944 22.969 18.817 1.00 1.00 O ATOM 41 CB TYR A 3 1.727 22.716 20.685 1.00 1.00 C ATOM 42 CG TYR A 3 2.265 23.348 21.919 1.00 1.00 C ATOM 43 CD1 TYR A 3 1.407 23.564 22.995 1.00 1.00 C ATOM 44 CD2 TYR A 3 3.604 23.731 21.990 1.00 1.00 C ATOM 45 CE1 TYR A 3 1.888 24.162 24.150 1.00 1.00 C ATOM 46 CE2 TYR A 3 4.085 24.333 23.147 1.00 1.00 C ATOM 47 CZ TYR A 3 3.223 24.546 24.224 1.00 1.00 C ATOM 48 OH TYR A 3 3.687 25.154 25.363 1.00 1.00 O ATOM 0 H TYR A 3 -0.592 24.047 21.111 1.00 1.00 H new ATOM 0 HA TYR A 3 1.817 24.450 19.429 1.00 1.00 H new ATOM 0 HB2 TYR A 3 1.012 21.934 20.941 1.00 1.00 H new ATOM 0 HB3 TYR A 3 2.531 22.241 20.122 1.00 1.00 H new ATOM 0 HD1 TYR A 3 0.371 23.267 22.930 1.00 1.00 H new ATOM 0 HD2 TYR A 3 4.263 23.561 21.151 1.00 1.00 H new ATOM 0 HE1 TYR A 3 1.229 24.329 24.989 1.00 1.00 H new ATOM 0 HE2 TYR A 3 5.120 24.634 23.212 1.00 1.00 H new ATOM 0 HH TYR A 3 3.041 25.026 26.089 1.00 1.00 H new ATOM 58 N LYS A 4 0.980 22.685 17.686 1.00 1.00 N ATOM 59 CA LYS A 4 0.332 22.009 16.554 1.00 1.00 C ATOM 60 C LYS A 4 1.113 20.747 16.205 1.00 1.00 C ATOM 61 O LYS A 4 2.330 20.705 16.328 1.00 1.00 O ATOM 62 CB LYS A 4 0.288 22.968 15.353 1.00 1.00 C ATOM 63 CG LYS A 4 -0.485 22.350 14.180 1.00 1.00 C ATOM 64 CD LYS A 4 -0.548 23.373 13.032 1.00 1.00 C ATOM 65 CE LYS A 4 -1.326 22.781 11.860 1.00 1.00 C ATOM 66 NZ LYS A 4 -1.377 23.766 10.740 1.00 1.00 N ATOM 0 H LYS A 4 1.990 22.790 17.594 1.00 1.00 H new ATOM 0 HA LYS A 4 -0.687 21.727 16.818 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -0.183 23.905 15.649 1.00 1.00 H new ATOM 0 HB3 LYS A 4 1.304 23.207 15.037 1.00 1.00 H new ATOM 0 HG2 LYS A 4 0.006 21.436 13.845 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -1.491 22.074 14.495 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -1.028 24.290 13.374 1.00 1.00 H new ATOM 0 HD3 LYS A 4 0.460 23.641 12.714 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -0.851 21.859 11.525 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -2.337 22.522 12.176 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -1.908 23.359 9.944 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -1.849 24.635 11.063 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -0.410 23.992 10.432 1.00 1.00 H new ATOM 80 N LEU A 5 0.397 19.709 15.787 1.00 1.00 N ATOM 81 CA LEU A 5 1.020 18.436 15.437 1.00 1.00 C ATOM 82 C LEU A 5 0.817 18.163 13.945 1.00 1.00 C ATOM 83 O LEU A 5 -0.303 18.247 13.446 1.00 1.00 O ATOM 84 CB LEU A 5 0.352 17.313 16.253 1.00 1.00 C ATOM 85 CG LEU A 5 1.259 16.063 16.433 1.00 1.00 C ATOM 86 CD1 LEU A 5 0.380 14.850 16.778 1.00 1.00 C ATOM 87 CD2 LEU A 5 2.069 15.722 15.166 1.00 1.00 C ATOM 0 H LEU A 5 -0.617 19.724 15.682 1.00 1.00 H new ATOM 0 HA LEU A 5 2.087 18.474 15.658 1.00 1.00 H new ATOM 0 HB2 LEU A 5 0.079 17.700 17.235 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -0.573 17.015 15.759 1.00 1.00 H new ATOM 0 HG LEU A 5 1.964 16.294 17.231 1.00 1.00 H new ATOM 0 HD11 LEU A 5 1.009 13.969 16.906 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -0.163 15.045 17.703 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -0.331 14.674 15.970 1.00 1.00 H new ATOM 0 HD21 LEU A 5 2.683 14.841 15.353 1.00 1.00 H new ATOM 0 HD22 LEU A 5 1.386 15.520 14.341 1.00 1.00 H new ATOM 0 HD23 LEU A 5 2.712 16.564 14.908 1.00 1.00 H new ATOM 99 N ILE A 6 1.888 17.782 13.255 1.00 1.00 N ATOM 100 CA ILE A 6 1.799 17.432 11.824 1.00 1.00 C ATOM 101 C ILE A 6 1.937 15.935 11.681 1.00 1.00 C ATOM 102 O ILE A 6 2.864 15.332 12.210 1.00 1.00 O ATOM 103 CB ILE A 6 2.899 18.092 11.017 1.00 1.00 C ATOM 104 CG1 ILE A 6 2.840 19.604 11.217 1.00 1.00 C ATOM 105 CG2 ILE A 6 2.738 17.738 9.537 1.00 1.00 C ATOM 106 CD1 ILE A 6 1.460 20.161 10.840 1.00 1.00 C ATOM 0 H ILE A 6 2.825 17.705 13.651 1.00 1.00 H new ATOM 0 HA ILE A 6 0.837 17.781 11.449 1.00 1.00 H new ATOM 0 HB ILE A 6 3.870 17.731 11.356 1.00 1.00 H new ATOM 0 HG12 ILE A 6 3.060 19.845 12.257 1.00 1.00 H new ATOM 0 HG13 ILE A 6 3.607 20.084 10.609 1.00 1.00 H new ATOM 0 HG21 ILE A 6 3.531 18.215 8.961 1.00 1.00 H new ATOM 0 HG22 ILE A 6 2.799 16.657 9.413 1.00 1.00 H new ATOM 0 HG23 ILE A 6 1.769 18.090 9.182 1.00 1.00 H new ATOM 0 HD11 ILE A 6 1.449 21.240 10.993 1.00 1.00 H new ATOM 0 HD12 ILE A 6 1.252 19.941 9.793 1.00 1.00 H new ATOM 0 HD13 ILE A 6 0.697 19.698 11.466 1.00 1.00 H new ATOM 118 N LEU A 7 0.983 15.328 11.005 1.00 1.00 N ATOM 119 CA LEU A 7 0.972 13.895 10.847 1.00 1.00 C ATOM 120 C LEU A 7 1.297 13.406 9.453 1.00 1.00 C ATOM 121 O LEU A 7 0.582 13.706 8.494 1.00 1.00 O ATOM 122 CB LEU A 7 -0.429 13.436 11.210 1.00 1.00 C ATOM 123 CG LEU A 7 -0.684 13.779 12.687 1.00 1.00 C ATOM 124 CD1 LEU A 7 -2.185 14.010 12.935 1.00 1.00 C ATOM 125 CD2 LEU A 7 -0.154 12.633 13.561 1.00 1.00 C ATOM 0 H LEU A 7 0.204 15.810 10.556 1.00 1.00 H new ATOM 0 HA LEU A 7 1.753 13.484 11.486 1.00 1.00 H new ATOM 0 HB2 LEU A 7 -1.166 13.927 10.574 1.00 1.00 H new ATOM 0 HB3 LEU A 7 -0.531 12.363 11.047 1.00 1.00 H new ATOM 0 HG LEU A 7 -0.162 14.700 12.946 1.00 1.00 H new ATOM 0 HD11 LEU A 7 -2.347 14.252 13.985 1.00 1.00 H new ATOM 0 HD12 LEU A 7 -2.533 14.836 12.315 1.00 1.00 H new ATOM 0 HD13 LEU A 7 -2.739 13.106 12.681 1.00 1.00 H new ATOM 0 HD21 LEU A 7 -0.329 12.865 14.611 1.00 1.00 H new ATOM 0 HD22 LEU A 7 -0.671 11.709 13.302 1.00 1.00 H new ATOM 0 HD23 LEU A 7 0.916 12.510 13.390 1.00 1.00 H new ATOM 137 N ASN A 8 2.328 12.570 9.364 1.00 1.00 N ATOM 138 CA ASN A 8 2.709 11.937 8.111 1.00 1.00 C ATOM 139 C ASN A 8 2.762 10.429 8.357 1.00 1.00 C ATOM 140 O ASN A 8 3.807 9.795 8.202 1.00 1.00 O ATOM 141 CB ASN A 8 4.085 12.427 7.646 1.00 1.00 C ATOM 142 CG ASN A 8 4.250 13.912 7.921 1.00 1.00 C ATOM 143 OD1 ASN A 8 3.321 14.694 7.720 1.00 1.00 O ATOM 144 ND2 ASN A 8 5.396 14.349 8.371 1.00 1.00 N ATOM 0 H ASN A 8 2.918 12.315 10.156 1.00 1.00 H new ATOM 0 HA ASN A 8 1.985 12.187 7.335 1.00 1.00 H new ATOM 0 HB2 ASN A 8 4.868 11.868 8.159 1.00 1.00 H new ATOM 0 HB3 ASN A 8 4.203 12.235 6.580 1.00 1.00 H new ATOM 0 HD21 ASN A 8 5.525 15.343 8.558 1.00 1.00 H new ATOM 0 HD22 ASN A 8 6.162 13.696 8.536 1.00 1.00 H new ATOM 151 N GLY A 9 1.638 9.853 8.757 1.00 1.00 N ATOM 152 CA GLY A 9 1.594 8.424 9.038 1.00 1.00 C ATOM 153 C GLY A 9 1.209 7.634 7.810 1.00 1.00 C ATOM 154 O GLY A 9 0.528 8.135 6.920 1.00 1.00 O ATOM 0 H GLY A 9 0.755 10.344 8.893 1.00 1.00 H new ATOM 0 HA2 GLY A 9 2.568 8.092 9.396 1.00 1.00 H new ATOM 0 HA3 GLY A 9 0.878 8.230 9.837 1.00 1.00 H new ATOM 158 N LYS A 10 1.658 6.390 7.765 1.00 1.00 N ATOM 159 CA LYS A 10 1.334 5.557 6.615 1.00 1.00 C ATOM 160 C LYS A 10 -0.145 5.190 6.670 1.00 1.00 C ATOM 161 O LYS A 10 -0.779 4.958 5.640 1.00 1.00 O ATOM 162 CB LYS A 10 2.205 4.294 6.604 1.00 1.00 C ATOM 163 CG LYS A 10 2.095 3.569 7.947 1.00 1.00 C ATOM 164 CD LYS A 10 3.064 2.388 7.962 1.00 1.00 C ATOM 165 CE LYS A 10 2.992 1.685 9.319 1.00 1.00 C ATOM 166 NZ LYS A 10 3.946 0.540 9.336 1.00 1.00 N ATOM 0 H LYS A 10 2.229 5.945 8.484 1.00 1.00 H new ATOM 0 HA LYS A 10 1.536 6.109 5.697 1.00 1.00 H new ATOM 0 HB2 LYS A 10 1.890 3.632 5.797 1.00 1.00 H new ATOM 0 HB3 LYS A 10 3.244 4.561 6.410 1.00 1.00 H new ATOM 0 HG2 LYS A 10 2.325 4.254 8.763 1.00 1.00 H new ATOM 0 HG3 LYS A 10 1.074 3.219 8.102 1.00 1.00 H new ATOM 0 HD2 LYS A 10 2.814 1.688 7.165 1.00 1.00 H new ATOM 0 HD3 LYS A 10 4.080 2.735 7.774 1.00 1.00 H new ATOM 0 HE2 LYS A 10 3.235 2.386 10.117 1.00 1.00 H new ATOM 0 HE3 LYS A 10 1.978 1.330 9.504 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 3.898 0.062 10.258 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 3.695 -0.132 8.583 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 4.912 0.891 9.178 1.00 1.00 H new ATOM 180 N THR A 11 -0.695 5.165 7.885 1.00 1.00 N ATOM 181 CA THR A 11 -2.112 4.858 8.091 1.00 1.00 C ATOM 182 C THR A 11 -2.867 6.077 8.620 1.00 1.00 C ATOM 183 O THR A 11 -4.091 6.149 8.510 1.00 1.00 O ATOM 184 CB THR A 11 -2.248 3.700 9.090 1.00 1.00 C ATOM 185 OG1 THR A 11 -1.353 3.909 10.176 1.00 1.00 O ATOM 186 CG2 THR A 11 -1.913 2.374 8.399 1.00 1.00 C ATOM 0 H THR A 11 -0.179 5.354 8.744 1.00 1.00 H new ATOM 0 HA THR A 11 -2.544 4.574 7.131 1.00 1.00 H new ATOM 0 HB THR A 11 -3.272 3.661 9.460 1.00 1.00 H new ATOM 0 HG1 THR A 11 -1.438 3.172 10.817 1.00 1.00 H new ATOM 0 HG21 THR A 11 -2.011 1.556 9.113 1.00 1.00 H new ATOM 0 HG22 THR A 11 -2.599 2.214 7.567 1.00 1.00 H new ATOM 0 HG23 THR A 11 -0.890 2.407 8.024 1.00 1.00 H new ATOM 194 N LEU A 12 -2.140 7.025 9.224 1.00 1.00 N ATOM 195 CA LEU A 12 -2.767 8.216 9.795 1.00 1.00 C ATOM 196 C LEU A 12 -2.076 9.495 9.328 1.00 1.00 C ATOM 197 O LEU A 12 -0.884 9.690 9.549 1.00 1.00 O ATOM 198 CB LEU A 12 -2.712 8.103 11.316 1.00 1.00 C ATOM 199 CG LEU A 12 -3.513 9.242 11.960 1.00 1.00 C ATOM 200 CD1 LEU A 12 -3.848 8.862 13.412 1.00 1.00 C ATOM 201 CD2 LEU A 12 -2.713 10.564 11.919 1.00 1.00 C ATOM 0 H LEU A 12 -1.126 6.989 9.328 1.00 1.00 H new ATOM 0 HA LEU A 12 -3.802 8.273 9.456 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -3.116 7.141 11.632 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -1.676 8.140 11.654 1.00 1.00 H new ATOM 0 HG LEU A 12 -4.436 9.393 11.401 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -4.417 9.667 13.877 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -4.440 7.947 13.421 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -2.925 8.703 13.969 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -3.299 11.359 12.381 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -1.777 10.440 12.464 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -2.498 10.827 10.883 1.00 1.00 H new ATOM 213 N LYS A 13 -2.842 10.377 8.683 1.00 1.00 N ATOM 214 CA LYS A 13 -2.307 11.649 8.187 1.00 1.00 C ATOM 215 C LYS A 13 -3.238 12.806 8.503 1.00 1.00 C ATOM 216 O LYS A 13 -4.449 12.635 8.636 1.00 1.00 O ATOM 217 CB LYS A 13 -2.085 11.564 6.662 1.00 1.00 C ATOM 218 CG LYS A 13 -0.670 11.025 6.352 1.00 1.00 C ATOM 219 CD LYS A 13 -0.698 10.131 5.098 1.00 1.00 C ATOM 220 CE LYS A 13 -1.552 8.860 5.349 1.00 1.00 C ATOM 221 NZ LYS A 13 -1.809 8.682 6.811 1.00 1.00 N ATOM 0 H LYS A 13 -3.834 10.235 8.491 1.00 1.00 H new ATOM 0 HA LYS A 13 -1.357 11.832 8.690 1.00 1.00 H new ATOM 0 HB2 LYS A 13 -2.835 10.912 6.215 1.00 1.00 H new ATOM 0 HB3 LYS A 13 -2.212 12.550 6.214 1.00 1.00 H new ATOM 0 HG2 LYS A 13 0.017 11.857 6.198 1.00 1.00 H new ATOM 0 HG3 LYS A 13 -0.296 10.456 7.203 1.00 1.00 H new ATOM 0 HD2 LYS A 13 -1.107 10.690 4.256 1.00 1.00 H new ATOM 0 HD3 LYS A 13 0.318 9.845 4.827 1.00 1.00 H new ATOM 0 HE2 LYS A 13 -2.499 8.939 4.814 1.00 1.00 H new ATOM 0 HE3 LYS A 13 -1.036 7.984 4.955 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 -2.087 7.697 6.997 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 -0.945 8.904 7.345 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 -2.574 9.320 7.109 1.00 1.00 H new ATOM 235 N GLY A 14 -2.649 13.994 8.590 1.00 1.00 N ATOM 236 CA GLY A 14 -3.401 15.209 8.855 1.00 1.00 C ATOM 237 C GLY A 14 -2.662 16.094 9.847 1.00 1.00 C ATOM 238 O GLY A 14 -1.434 16.164 9.843 1.00 1.00 O ATOM 0 H GLY A 14 -1.645 14.139 8.479 1.00 1.00 H new ATOM 0 HA2 GLY A 14 -3.562 15.753 7.924 1.00 1.00 H new ATOM 0 HA3 GLY A 14 -4.385 14.955 9.250 1.00 1.00 H new ATOM 242 N GLU A 15 -3.429 16.788 10.692 1.00 1.00 N ATOM 243 CA GLU A 15 -2.859 17.687 11.687 1.00 1.00 C ATOM 244 C GLU A 15 -3.719 17.696 12.946 1.00 1.00 C ATOM 245 O GLU A 15 -4.899 17.347 12.907 1.00 1.00 O ATOM 246 CB GLU A 15 -2.766 19.120 11.134 1.00 1.00 C ATOM 247 CG GLU A 15 -1.698 19.214 10.017 1.00 1.00 C ATOM 248 CD GLU A 15 -2.301 18.942 8.644 1.00 1.00 C ATOM 249 OE1 GLU A 15 -3.463 18.577 8.585 1.00 1.00 O ATOM 250 OE2 GLU A 15 -1.588 19.101 7.667 1.00 1.00 O ATOM 0 H GLU A 15 -4.448 16.741 10.703 1.00 1.00 H new ATOM 0 HA GLU A 15 -1.858 17.329 11.929 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -3.736 19.426 10.742 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -2.516 19.810 11.940 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -1.246 20.206 10.027 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -0.900 18.498 10.214 1.00 1.00 H new ATOM 257 N THR A 16 -3.115 18.082 14.064 1.00 1.00 N ATOM 258 CA THR A 16 -3.823 18.120 15.348 1.00 1.00 C ATOM 259 C THR A 16 -3.292 19.281 16.202 1.00 1.00 C ATOM 260 O THR A 16 -2.125 19.645 16.092 1.00 1.00 O ATOM 261 CB THR A 16 -3.645 16.747 16.034 1.00 1.00 C ATOM 262 OG1 THR A 16 -4.727 15.908 15.664 1.00 1.00 O ATOM 263 CG2 THR A 16 -3.603 16.866 17.559 1.00 1.00 C ATOM 0 H THR A 16 -2.139 18.373 14.112 1.00 1.00 H new ATOM 0 HA THR A 16 -4.889 18.299 15.207 1.00 1.00 H new ATOM 0 HB THR A 16 -2.693 16.328 15.708 1.00 1.00 H new ATOM 0 HG1 THR A 16 -4.484 14.972 15.821 1.00 1.00 H new ATOM 0 HG21 THR A 16 -3.477 15.876 17.998 1.00 1.00 H new ATOM 0 HG22 THR A 16 -2.767 17.502 17.851 1.00 1.00 H new ATOM 0 HG23 THR A 16 -4.535 17.305 17.916 1.00 1.00 H new ATOM 271 N THR A 17 -4.156 19.869 17.045 1.00 1.00 N ATOM 272 CA THR A 17 -3.745 21.002 17.898 1.00 1.00 C ATOM 273 C THR A 17 -4.161 20.809 19.355 1.00 1.00 C ATOM 274 O THR A 17 -5.243 20.303 19.646 1.00 1.00 O ATOM 275 CB THR A 17 -4.355 22.305 17.376 1.00 1.00 C ATOM 276 OG1 THR A 17 -5.751 22.128 17.178 1.00 1.00 O ATOM 277 CG2 THR A 17 -3.693 22.689 16.057 1.00 1.00 C ATOM 0 H THR A 17 -5.130 19.586 17.156 1.00 1.00 H new ATOM 0 HA THR A 17 -2.657 21.051 17.858 1.00 1.00 H new ATOM 0 HB THR A 17 -4.191 23.100 18.104 1.00 1.00 H new ATOM 0 HG1 THR A 17 -6.143 22.963 16.845 1.00 1.00 H new ATOM 0 HG21 THR A 17 -4.129 23.617 15.688 1.00 1.00 H new ATOM 0 HG22 THR A 17 -2.623 22.828 16.214 1.00 1.00 H new ATOM 0 HG23 THR A 17 -3.853 21.897 15.326 1.00 1.00 H new ATOM 285 N THR A 18 -3.279 21.233 20.265 1.00 1.00 N ATOM 286 CA THR A 18 -3.537 21.131 21.698 1.00 1.00 C ATOM 287 C THR A 18 -2.864 22.282 22.432 1.00 1.00 C ATOM 288 O THR A 18 -1.820 22.774 22.002 1.00 1.00 O ATOM 289 CB THR A 18 -3.009 19.801 22.247 1.00 1.00 C ATOM 290 OG1 THR A 18 -3.731 19.460 23.421 1.00 1.00 O ATOM 291 CG2 THR A 18 -1.514 19.908 22.591 1.00 1.00 C ATOM 0 H THR A 18 -2.379 21.651 20.030 1.00 1.00 H new ATOM 0 HA THR A 18 -4.614 21.178 21.856 1.00 1.00 H new ATOM 0 HB THR A 18 -3.140 19.033 21.485 1.00 1.00 H new ATOM 0 HG1 THR A 18 -3.639 18.500 23.594 1.00 1.00 H new ATOM 0 HG21 THR A 18 -1.161 18.953 22.979 1.00 1.00 H new ATOM 0 HG22 THR A 18 -0.952 20.166 21.694 1.00 1.00 H new ATOM 0 HG23 THR A 18 -1.369 20.682 23.345 1.00 1.00 H new ATOM 299 N GLU A 19 -3.434 22.683 23.557 1.00 1.00 N ATOM 300 CA GLU A 19 -2.843 23.747 24.348 1.00 1.00 C ATOM 301 C GLU A 19 -2.107 23.118 25.520 1.00 1.00 C ATOM 302 O GLU A 19 -2.604 22.185 26.150 1.00 1.00 O ATOM 303 CB GLU A 19 -3.923 24.707 24.849 1.00 1.00 C ATOM 304 CG GLU A 19 -3.275 26.043 25.207 1.00 1.00 C ATOM 305 CD GLU A 19 -4.317 26.976 25.816 1.00 1.00 C ATOM 306 OE1 GLU A 19 -5.494 26.684 25.684 1.00 1.00 O ATOM 307 OE2 GLU A 19 -3.922 27.970 26.405 1.00 1.00 O ATOM 0 H GLU A 19 -4.295 22.292 23.939 1.00 1.00 H new ATOM 0 HA GLU A 19 -2.147 24.321 23.736 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.684 24.851 24.082 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -4.425 24.287 25.720 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -2.459 25.884 25.912 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -2.842 26.498 24.316 1.00 1.00 H new ATOM 314 N ALA A 20 -0.907 23.608 25.780 1.00 1.00 N ATOM 315 CA ALA A 20 -0.076 23.068 26.850 1.00 1.00 C ATOM 316 C ALA A 20 0.660 24.180 27.584 1.00 1.00 C ATOM 317 O ALA A 20 0.771 25.305 27.094 1.00 1.00 O ATOM 318 CB ALA A 20 0.927 22.055 26.258 1.00 1.00 C ATOM 0 H ALA A 20 -0.483 24.380 25.266 1.00 1.00 H new ATOM 0 HA ALA A 20 -0.717 22.562 27.572 1.00 1.00 H new ATOM 0 HB1 ALA A 20 1.549 21.650 27.056 1.00 1.00 H new ATOM 0 HB2 ALA A 20 0.382 21.243 25.775 1.00 1.00 H new ATOM 0 HB3 ALA A 20 1.559 22.555 25.524 1.00 1.00 H new ATOM 324 N VAL A 21 1.181 23.841 28.748 1.00 1.00 N ATOM 325 CA VAL A 21 1.937 24.790 29.539 1.00 1.00 C ATOM 326 C VAL A 21 3.246 25.077 28.832 1.00 1.00 C ATOM 327 O VAL A 21 3.709 26.216 28.779 1.00 1.00 O ATOM 328 CB VAL A 21 2.222 24.208 30.925 1.00 1.00 C ATOM 329 CG1 VAL A 21 2.899 22.842 30.791 1.00 1.00 C ATOM 330 CG2 VAL A 21 3.155 25.155 31.684 1.00 1.00 C ATOM 0 H VAL A 21 1.094 22.915 29.166 1.00 1.00 H new ATOM 0 HA VAL A 21 1.363 25.709 29.655 1.00 1.00 H new ATOM 0 HB VAL A 21 1.282 24.092 31.465 1.00 1.00 H new ATOM 0 HG11 VAL A 21 3.098 22.436 31.783 1.00 1.00 H new ATOM 0 HG12 VAL A 21 2.244 22.163 30.245 1.00 1.00 H new ATOM 0 HG13 VAL A 21 3.838 22.953 30.249 1.00 1.00 H new ATOM 0 HG21 VAL A 21 3.362 24.746 32.673 1.00 1.00 H new ATOM 0 HG22 VAL A 21 4.089 25.264 31.133 1.00 1.00 H new ATOM 0 HG23 VAL A 21 2.679 26.130 31.787 1.00 1.00 H new ATOM 340 N ASP A 22 3.832 24.022 28.290 1.00 1.00 N ATOM 341 CA ASP A 22 5.096 24.134 27.578 1.00 1.00 C ATOM 342 C ASP A 22 5.225 23.003 26.563 1.00 1.00 C ATOM 343 O ASP A 22 4.305 22.201 26.392 1.00 1.00 O ATOM 344 CB ASP A 22 6.253 24.054 28.578 1.00 1.00 C ATOM 345 CG ASP A 22 6.233 22.712 29.304 1.00 1.00 C ATOM 346 OD1 ASP A 22 5.487 21.844 28.884 1.00 1.00 O ATOM 347 OD2 ASP A 22 6.966 22.571 30.269 1.00 1.00 O ATOM 0 H ASP A 22 3.452 23.076 28.329 1.00 1.00 H new ATOM 0 HA ASP A 22 5.127 25.090 27.055 1.00 1.00 H new ATOM 0 HB2 ASP A 22 7.202 24.179 28.057 1.00 1.00 H new ATOM 0 HB3 ASP A 22 6.176 24.867 29.300 1.00 1.00 H new ATOM 352 N ALA A 23 6.378 22.930 25.905 1.00 1.00 N ATOM 353 CA ALA A 23 6.637 21.882 24.927 1.00 1.00 C ATOM 354 C ALA A 23 6.813 20.539 25.625 1.00 1.00 C ATOM 355 O ALA A 23 6.395 19.500 25.116 1.00 1.00 O ATOM 356 CB ALA A 23 7.895 22.217 24.126 1.00 1.00 C ATOM 0 H ALA A 23 7.148 23.586 26.033 1.00 1.00 H new ATOM 0 HA ALA A 23 5.786 21.818 24.249 1.00 1.00 H new ATOM 0 HB1 ALA A 23 8.083 21.429 23.397 1.00 1.00 H new ATOM 0 HB2 ALA A 23 7.754 23.165 23.607 1.00 1.00 H new ATOM 0 HB3 ALA A 23 8.746 22.296 24.802 1.00 1.00 H new ATOM 362 N ALA A 24 7.430 20.579 26.803 1.00 1.00 N ATOM 363 CA ALA A 24 7.657 19.370 27.587 1.00 1.00 C ATOM 364 C ALA A 24 6.337 18.639 27.787 1.00 1.00 C ATOM 365 O ALA A 24 6.292 17.414 27.885 1.00 1.00 O ATOM 366 CB ALA A 24 8.241 19.728 28.955 1.00 1.00 C ATOM 0 H ALA A 24 7.781 21.434 27.234 1.00 1.00 H new ATOM 0 HA ALA A 24 8.360 18.731 27.052 1.00 1.00 H new ATOM 0 HB1 ALA A 24 8.406 18.817 29.530 1.00 1.00 H new ATOM 0 HB2 ALA A 24 9.189 20.249 28.821 1.00 1.00 H new ATOM 0 HB3 ALA A 24 7.545 20.374 29.490 1.00 1.00 H new ATOM 372 N THR A 25 5.262 19.416 27.871 1.00 1.00 N ATOM 373 CA THR A 25 3.936 18.874 28.082 1.00 1.00 C ATOM 374 C THR A 25 3.278 18.505 26.751 1.00 1.00 C ATOM 375 O THR A 25 2.803 17.385 26.573 1.00 1.00 O ATOM 376 CB THR A 25 3.102 19.919 28.815 1.00 1.00 C ATOM 377 OG1 THR A 25 3.867 20.455 29.886 1.00 1.00 O ATOM 378 CG2 THR A 25 1.841 19.276 29.365 1.00 1.00 C ATOM 0 H THR A 25 5.291 20.433 27.794 1.00 1.00 H new ATOM 0 HA THR A 25 4.004 17.963 28.677 1.00 1.00 H new ATOM 0 HB THR A 25 2.825 20.715 28.124 1.00 1.00 H new ATOM 0 HG1 THR A 25 4.511 21.105 29.535 1.00 1.00 H new ATOM 0 HG21 THR A 25 1.248 20.027 29.888 1.00 1.00 H new ATOM 0 HG22 THR A 25 1.257 18.860 28.544 1.00 1.00 H new ATOM 0 HG23 THR A 25 2.111 18.480 30.058 1.00 1.00 H new ATOM 386 N ALA A 26 3.238 19.458 25.827 1.00 1.00 N ATOM 387 CA ALA A 26 2.614 19.217 24.529 1.00 1.00 C ATOM 388 C ALA A 26 3.227 17.996 23.836 1.00 1.00 C ATOM 389 O ALA A 26 2.529 17.258 23.137 1.00 1.00 O ATOM 390 CB ALA A 26 2.782 20.450 23.636 1.00 1.00 C ATOM 0 H ALA A 26 3.625 20.394 25.948 1.00 1.00 H new ATOM 0 HA ALA A 26 1.555 19.021 24.695 1.00 1.00 H new ATOM 0 HB1 ALA A 26 2.315 20.265 22.669 1.00 1.00 H new ATOM 0 HB2 ALA A 26 2.308 21.310 24.110 1.00 1.00 H new ATOM 0 HB3 ALA A 26 3.843 20.654 23.493 1.00 1.00 H new ATOM 396 N GLU A 27 4.531 17.785 24.024 1.00 1.00 N ATOM 397 CA GLU A 27 5.210 16.654 23.379 1.00 1.00 C ATOM 398 C GLU A 27 4.612 15.323 23.831 1.00 1.00 C ATOM 399 O GLU A 27 4.349 14.440 23.017 1.00 1.00 O ATOM 400 CB GLU A 27 6.738 16.698 23.657 1.00 1.00 C ATOM 401 CG GLU A 27 7.115 15.992 24.973 1.00 1.00 C ATOM 402 CD GLU A 27 8.599 16.198 25.280 1.00 1.00 C ATOM 403 OE1 GLU A 27 9.371 16.284 24.339 1.00 1.00 O ATOM 404 OE2 GLU A 27 8.939 16.262 26.449 1.00 1.00 O ATOM 0 H GLU A 27 5.131 18.369 24.606 1.00 1.00 H new ATOM 0 HA GLU A 27 5.057 16.740 22.303 1.00 1.00 H new ATOM 0 HB2 GLU A 27 7.269 16.227 22.830 1.00 1.00 H new ATOM 0 HB3 GLU A 27 7.068 17.736 23.697 1.00 1.00 H new ATOM 0 HG2 GLU A 27 6.510 16.384 25.790 1.00 1.00 H new ATOM 0 HG3 GLU A 27 6.897 14.927 24.898 1.00 1.00 H new ATOM 411 N LYS A 28 4.424 15.180 25.134 1.00 1.00 N ATOM 412 CA LYS A 28 3.879 13.949 25.686 1.00 1.00 C ATOM 413 C LYS A 28 2.407 13.788 25.330 1.00 1.00 C ATOM 414 O LYS A 28 1.913 12.669 25.191 1.00 1.00 O ATOM 415 CB LYS A 28 4.068 13.940 27.202 1.00 1.00 C ATOM 416 CG LYS A 28 5.550 13.679 27.522 1.00 1.00 C ATOM 417 CD LYS A 28 5.780 13.677 29.044 1.00 1.00 C ATOM 418 CE LYS A 28 5.967 15.115 29.553 1.00 1.00 C ATOM 419 NZ LYS A 28 6.097 15.113 31.054 1.00 1.00 N ATOM 0 H LYS A 28 4.640 15.897 25.826 1.00 1.00 H new ATOM 0 HA LYS A 28 4.416 13.106 25.251 1.00 1.00 H new ATOM 0 HB2 LYS A 28 3.754 14.894 27.626 1.00 1.00 H new ATOM 0 HB3 LYS A 28 3.444 13.169 27.654 1.00 1.00 H new ATOM 0 HG2 LYS A 28 5.856 12.721 27.101 1.00 1.00 H new ATOM 0 HG3 LYS A 28 6.169 14.445 27.056 1.00 1.00 H new ATOM 0 HD2 LYS A 28 4.932 13.213 29.547 1.00 1.00 H new ATOM 0 HD3 LYS A 28 6.660 13.080 29.286 1.00 1.00 H new ATOM 0 HE2 LYS A 28 6.856 15.557 29.103 1.00 1.00 H new ATOM 0 HE3 LYS A 28 5.118 15.730 29.253 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 6.223 16.088 31.393 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 5.237 14.708 31.476 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 6.921 14.541 31.330 1.00 1.00 H new ATOM 433 N VAL A 29 1.713 14.903 25.183 1.00 1.00 N ATOM 434 CA VAL A 29 0.293 14.872 24.863 1.00 1.00 C ATOM 435 C VAL A 29 0.084 14.414 23.420 1.00 1.00 C ATOM 436 O VAL A 29 -0.800 13.603 23.142 1.00 1.00 O ATOM 437 CB VAL A 29 -0.320 16.263 25.052 1.00 1.00 C ATOM 438 CG1 VAL A 29 -1.771 16.268 24.563 1.00 1.00 C ATOM 439 CG2 VAL A 29 -0.291 16.631 26.539 1.00 1.00 C ATOM 0 H VAL A 29 2.106 15.839 25.279 1.00 1.00 H new ATOM 0 HA VAL A 29 -0.197 14.168 25.535 1.00 1.00 H new ATOM 0 HB VAL A 29 0.256 16.988 24.477 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -2.198 17.261 24.702 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -1.800 16.005 23.506 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -2.350 15.541 25.133 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -0.727 17.621 26.677 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -0.866 15.899 27.106 1.00 1.00 H new ATOM 0 HG23 VAL A 29 0.740 16.636 26.893 1.00 1.00 H new ATOM 449 N PHE A 30 0.892 14.931 22.501 1.00 1.00 N ATOM 450 CA PHE A 30 0.755 14.552 21.092 1.00 1.00 C ATOM 451 C PHE A 30 1.164 13.106 20.874 1.00 1.00 C ATOM 452 O PHE A 30 0.541 12.386 20.091 1.00 1.00 O ATOM 453 CB PHE A 30 1.643 15.418 20.212 1.00 1.00 C ATOM 454 CG PHE A 30 1.126 16.839 20.120 1.00 1.00 C ATOM 455 CD1 PHE A 30 -0.198 17.107 19.713 1.00 1.00 C ATOM 456 CD2 PHE A 30 1.988 17.906 20.406 1.00 1.00 C ATOM 457 CE1 PHE A 30 -0.635 18.426 19.592 1.00 1.00 C ATOM 458 CE2 PHE A 30 1.538 19.221 20.286 1.00 1.00 C ATOM 459 CZ PHE A 30 0.226 19.477 19.874 1.00 1.00 C ATOM 0 H PHE A 30 1.636 15.601 22.696 1.00 1.00 H new ATOM 0 HA PHE A 30 -0.293 14.690 20.827 1.00 1.00 H new ATOM 0 HB2 PHE A 30 2.657 15.425 20.613 1.00 1.00 H new ATOM 0 HB3 PHE A 30 1.698 14.985 19.213 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -0.872 16.292 19.495 1.00 1.00 H new ATOM 0 HD2 PHE A 30 3.003 17.710 20.720 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -1.648 18.630 19.277 1.00 1.00 H new ATOM 0 HE2 PHE A 30 2.203 20.042 20.511 1.00 1.00 H new ATOM 0 HZ PHE A 30 -0.118 20.496 19.775 1.00 1.00 H new ATOM 469 N LYS A 31 2.219 12.687 21.551 1.00 1.00 N ATOM 470 CA LYS A 31 2.700 11.329 21.399 1.00 1.00 C ATOM 471 C LYS A 31 1.646 10.385 21.934 1.00 1.00 C ATOM 472 O LYS A 31 1.388 9.341 21.348 1.00 1.00 O ATOM 473 CB LYS A 31 4.025 11.182 22.141 1.00 1.00 C ATOM 474 CG LYS A 31 5.080 12.003 21.392 1.00 1.00 C ATOM 475 CD LYS A 31 6.362 12.080 22.219 1.00 1.00 C ATOM 476 CE LYS A 31 7.349 13.017 21.524 1.00 1.00 C ATOM 477 NZ LYS A 31 8.488 13.297 22.434 1.00 1.00 N ATOM 0 H LYS A 31 2.752 13.261 22.204 1.00 1.00 H new ATOM 0 HA LYS A 31 2.878 11.088 20.351 1.00 1.00 H new ATOM 0 HB2 LYS A 31 3.928 11.533 23.168 1.00 1.00 H new ATOM 0 HB3 LYS A 31 4.321 10.134 22.189 1.00 1.00 H new ATOM 0 HG2 LYS A 31 5.288 11.547 20.424 1.00 1.00 H new ATOM 0 HG3 LYS A 31 4.702 13.007 21.197 1.00 1.00 H new ATOM 0 HD2 LYS A 31 6.141 12.444 23.222 1.00 1.00 H new ATOM 0 HD3 LYS A 31 6.799 11.088 22.329 1.00 1.00 H new ATOM 0 HE2 LYS A 31 7.710 12.563 20.601 1.00 1.00 H new ATOM 0 HE3 LYS A 31 6.852 13.947 21.249 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 9.161 13.935 21.962 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 8.136 13.747 23.303 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 8.967 12.406 22.675 1.00 1.00 H new ATOM 491 N GLN A 32 0.979 10.778 23.019 1.00 1.00 N ATOM 492 CA GLN A 32 -0.097 9.948 23.528 1.00 1.00 C ATOM 493 C GLN A 32 -1.172 9.836 22.468 1.00 1.00 C ATOM 494 O GLN A 32 -1.673 8.753 22.194 1.00 1.00 O ATOM 495 CB GLN A 32 -0.728 10.510 24.800 1.00 1.00 C ATOM 496 CG GLN A 32 -1.886 9.583 25.211 1.00 1.00 C ATOM 497 CD GLN A 32 -2.391 9.966 26.593 1.00 1.00 C ATOM 498 OE1 GLN A 32 -3.346 9.373 27.097 1.00 1.00 O ATOM 499 NE2 GLN A 32 -1.799 10.936 27.245 1.00 1.00 N ATOM 0 H GLN A 32 1.159 11.635 23.542 1.00 1.00 H new ATOM 0 HA GLN A 32 0.332 8.976 23.773 1.00 1.00 H new ATOM 0 HB2 GLN A 32 0.013 10.570 25.598 1.00 1.00 H new ATOM 0 HB3 GLN A 32 -1.094 11.522 24.628 1.00 1.00 H new ATOM 0 HG2 GLN A 32 -2.696 9.655 24.485 1.00 1.00 H new ATOM 0 HG3 GLN A 32 -1.550 8.546 25.212 1.00 1.00 H new ATOM 0 HE21 GLN A 32 -1.009 11.425 26.825 1.00 1.00 H new ATOM 0 HE22 GLN A 32 -2.129 11.202 28.173 1.00 1.00 H new ATOM 508 N TYR A 33 -1.526 10.966 21.878 1.00 1.00 N ATOM 509 CA TYR A 33 -2.550 10.983 20.855 1.00 1.00 C ATOM 510 C TYR A 33 -2.133 10.031 19.738 1.00 1.00 C ATOM 511 O TYR A 33 -2.887 9.146 19.355 1.00 1.00 O ATOM 512 CB TYR A 33 -2.705 12.434 20.355 1.00 1.00 C ATOM 513 CG TYR A 33 -3.131 12.481 18.906 1.00 1.00 C ATOM 514 CD1 TYR A 33 -2.160 12.453 17.899 1.00 1.00 C ATOM 515 CD2 TYR A 33 -4.486 12.573 18.567 1.00 1.00 C ATOM 516 CE1 TYR A 33 -2.540 12.521 16.558 1.00 1.00 C ATOM 517 CE2 TYR A 33 -4.865 12.637 17.221 1.00 1.00 C ATOM 518 CZ TYR A 33 -3.887 12.612 16.218 1.00 1.00 C ATOM 519 OH TYR A 33 -4.263 12.668 14.893 1.00 1.00 O ATOM 0 H TYR A 33 -1.120 11.877 22.091 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.514 10.649 21.238 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -3.441 12.954 20.968 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -1.760 12.963 20.474 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -1.115 12.379 18.160 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.238 12.595 19.342 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -1.788 12.503 15.783 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -5.910 12.706 16.956 1.00 1.00 H new ATOM 0 HH TYR A 33 -5.239 12.728 14.832 1.00 1.00 H new ATOM 529 N ALA A 34 -0.924 10.190 19.259 1.00 1.00 N ATOM 530 CA ALA A 34 -0.412 9.298 18.245 1.00 1.00 C ATOM 531 C ALA A 34 -0.364 7.865 18.790 1.00 1.00 C ATOM 532 O ALA A 34 -0.710 6.914 18.097 1.00 1.00 O ATOM 533 CB ALA A 34 0.980 9.771 17.805 1.00 1.00 C ATOM 0 H ALA A 34 -0.279 10.924 19.552 1.00 1.00 H new ATOM 0 HA ALA A 34 -1.070 9.307 17.376 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.368 9.099 17.040 1.00 1.00 H new ATOM 0 HB2 ALA A 34 0.910 10.780 17.400 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.652 9.770 18.663 1.00 1.00 H new ATOM 539 N ASN A 35 0.055 7.708 20.049 1.00 1.00 N ATOM 540 CA ASN A 35 0.146 6.381 20.630 1.00 1.00 C ATOM 541 C ASN A 35 -1.234 5.755 20.798 1.00 1.00 C ATOM 542 O ASN A 35 -1.411 4.580 20.468 1.00 1.00 O ATOM 543 CB ASN A 35 0.852 6.437 21.981 1.00 1.00 C ATOM 544 CG ASN A 35 1.151 5.044 22.507 1.00 1.00 C ATOM 545 OD1 ASN A 35 0.341 4.462 23.241 1.00 1.00 O ATOM 546 ND2 ASN A 35 2.265 4.463 22.178 1.00 1.00 N ATOM 0 H ASN A 35 0.330 8.471 20.668 1.00 1.00 H new ATOM 0 HA ASN A 35 0.726 5.761 19.946 1.00 1.00 H new ATOM 0 HB2 ASN A 35 1.781 6.999 21.885 1.00 1.00 H new ATOM 0 HB3 ASN A 35 0.229 6.972 22.697 1.00 1.00 H new ATOM 0 HD21 ASN A 35 2.473 3.526 22.524 1.00 1.00 H new ATOM 0 HD22 ASN A 35 2.931 4.943 21.573 1.00 1.00 H new ATOM 553 N ASP A 36 -2.210 6.520 21.278 1.00 1.00 N ATOM 554 CA ASP A 36 -3.533 5.979 21.434 1.00 1.00 C ATOM 555 C ASP A 36 -4.107 5.728 20.066 1.00 1.00 C ATOM 556 O ASP A 36 -5.041 4.949 19.911 1.00 1.00 O ATOM 557 CB ASP A 36 -4.435 6.912 22.251 1.00 1.00 C ATOM 558 CG ASP A 36 -4.782 8.191 21.514 1.00 1.00 C ATOM 559 OD1 ASP A 36 -4.747 8.212 20.300 1.00 1.00 O ATOM 560 OD2 ASP A 36 -5.124 9.156 22.196 1.00 1.00 O ATOM 0 H ASP A 36 -2.103 7.495 21.557 1.00 1.00 H new ATOM 0 HA ASP A 36 -3.476 5.043 21.989 1.00 1.00 H new ATOM 0 HB2 ASP A 36 -5.354 6.386 22.509 1.00 1.00 H new ATOM 0 HB3 ASP A 36 -3.937 7.162 23.188 1.00 1.00 H new ATOM 565 N ASN A 37 -3.530 6.406 19.063 1.00 1.00 N ATOM 566 CA ASN A 37 -4.018 6.247 17.697 1.00 1.00 C ATOM 567 C ASN A 37 -3.136 5.272 16.918 1.00 1.00 C ATOM 568 O ASN A 37 -3.231 5.172 15.703 1.00 1.00 O ATOM 569 CB ASN A 37 -4.000 7.596 16.967 1.00 1.00 C ATOM 570 CG ASN A 37 -5.170 8.464 17.446 1.00 1.00 C ATOM 571 OD1 ASN A 37 -6.052 7.956 18.140 1.00 1.00 O ATOM 572 ND2 ASN A 37 -5.193 9.756 17.189 1.00 1.00 N ATOM 0 H ASN A 37 -2.747 7.051 19.172 1.00 1.00 H new ATOM 0 HA ASN A 37 -5.036 5.861 17.752 1.00 1.00 H new ATOM 0 HB2 ASN A 37 -3.056 8.108 17.154 1.00 1.00 H new ATOM 0 HB3 ASN A 37 -4.070 7.438 15.891 1.00 1.00 H new ATOM 0 HD21 ASN A 37 -5.942 10.337 17.565 1.00 1.00 H new ATOM 0 HD22 ASN A 37 -4.462 10.175 16.614 1.00 1.00 H new ATOM 579 N GLY A 38 -2.299 4.518 17.661 1.00 1.00 N ATOM 580 CA GLY A 38 -1.438 3.532 17.051 1.00 1.00 C ATOM 581 C GLY A 38 -0.421 4.114 16.071 1.00 1.00 C ATOM 582 O GLY A 38 -0.057 3.397 15.117 1.00 1.00 O ATOM 0 H GLY A 38 -2.215 4.586 18.675 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -0.905 2.996 17.836 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -2.054 2.801 16.527 1.00 1.00 H new ATOM 586 N VAL A 39 0.038 5.361 16.218 1.00 1.00 N ATOM 587 CA VAL A 39 1.029 5.875 15.271 1.00 1.00 C ATOM 588 C VAL A 39 2.447 5.628 15.807 1.00 1.00 C ATOM 589 O VAL A 39 2.723 5.944 16.954 1.00 1.00 O ATOM 590 CB VAL A 39 0.794 7.374 15.069 1.00 1.00 C ATOM 591 CG1 VAL A 39 1.585 7.900 13.885 1.00 1.00 C ATOM 592 CG2 VAL A 39 -0.701 7.626 14.861 1.00 1.00 C ATOM 0 H VAL A 39 -0.247 6.009 16.952 1.00 1.00 H new ATOM 0 HA VAL A 39 0.927 5.359 14.317 1.00 1.00 H new ATOM 0 HB VAL A 39 1.137 7.904 15.957 1.00 1.00 H new ATOM 0 HG11 VAL A 39 1.397 8.967 13.767 1.00 1.00 H new ATOM 0 HG12 VAL A 39 2.649 7.735 14.056 1.00 1.00 H new ATOM 0 HG13 VAL A 39 1.278 7.376 12.980 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -0.874 8.693 14.717 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -1.043 7.081 13.981 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -1.253 7.284 15.737 1.00 1.00 H new ATOM 602 N ASP A 40 3.335 5.106 14.973 1.00 1.00 N ATOM 603 CA ASP A 40 4.728 4.852 15.360 1.00 1.00 C ATOM 604 C ASP A 40 5.638 5.355 14.239 1.00 1.00 C ATOM 605 O ASP A 40 5.673 4.778 13.161 1.00 1.00 O ATOM 606 CB ASP A 40 4.926 3.350 15.563 1.00 1.00 C ATOM 607 CG ASP A 40 6.308 3.018 16.119 1.00 1.00 C ATOM 608 OD1 ASP A 40 7.107 3.925 16.240 1.00 1.00 O ATOM 609 OD2 ASP A 40 6.527 1.864 16.467 1.00 1.00 O ATOM 0 H ASP A 40 3.118 4.845 14.011 1.00 1.00 H new ATOM 0 HA ASP A 40 4.969 5.369 16.289 1.00 1.00 H new ATOM 0 HB2 ASP A 40 4.163 2.974 16.244 1.00 1.00 H new ATOM 0 HB3 ASP A 40 4.786 2.836 14.612 1.00 1.00 H new ATOM 614 N GLY A 41 6.373 6.423 14.492 1.00 1.00 N ATOM 615 CA GLY A 41 7.261 6.970 13.468 1.00 1.00 C ATOM 616 C GLY A 41 8.420 7.733 14.073 1.00 1.00 C ATOM 617 O GLY A 41 8.858 7.438 15.180 1.00 1.00 O ATOM 0 H GLY A 41 6.378 6.925 15.380 1.00 1.00 H new ATOM 0 HA2 GLY A 41 7.644 6.159 12.849 1.00 1.00 H new ATOM 0 HA3 GLY A 41 6.695 7.631 12.812 1.00 1.00 H new ATOM 621 N GLU A 42 8.892 8.741 13.333 1.00 1.00 N ATOM 622 CA GLU A 42 9.991 9.576 13.770 1.00 1.00 C ATOM 623 C GLU A 42 9.392 10.874 14.236 1.00 1.00 C ATOM 624 O GLU A 42 8.440 11.357 13.649 1.00 1.00 O ATOM 625 CB GLU A 42 10.943 9.825 12.607 1.00 1.00 C ATOM 626 CG GLU A 42 11.612 8.509 12.209 1.00 1.00 C ATOM 627 CD GLU A 42 12.520 8.747 11.006 1.00 1.00 C ATOM 628 OE1 GLU A 42 12.596 9.882 10.568 1.00 1.00 O ATOM 629 OE2 GLU A 42 13.122 7.794 10.548 1.00 1.00 O ATOM 0 H GLU A 42 8.517 8.992 12.418 1.00 1.00 H new ATOM 0 HA GLU A 42 10.556 9.099 14.571 1.00 1.00 H new ATOM 0 HB2 GLU A 42 10.398 10.240 11.759 1.00 1.00 H new ATOM 0 HB3 GLU A 42 11.698 10.558 12.891 1.00 1.00 H new ATOM 0 HG2 GLU A 42 12.192 8.116 13.044 1.00 1.00 H new ATOM 0 HG3 GLU A 42 10.856 7.763 11.966 1.00 1.00 H new ATOM 636 N TRP A 43 9.921 11.414 15.315 1.00 1.00 N ATOM 637 CA TRP A 43 9.389 12.641 15.906 1.00 1.00 C ATOM 638 C TRP A 43 10.398 13.767 15.923 1.00 1.00 C ATOM 639 O TRP A 43 11.593 13.571 16.132 1.00 1.00 O ATOM 640 CB TRP A 43 8.980 12.369 17.343 1.00 1.00 C ATOM 641 CG TRP A 43 7.714 11.604 17.353 1.00 1.00 C ATOM 642 CD1 TRP A 43 7.599 10.265 17.187 1.00 1.00 C ATOM 643 CD2 TRP A 43 6.376 12.113 17.545 1.00 1.00 C ATOM 644 NE1 TRP A 43 6.259 9.917 17.268 1.00 1.00 N ATOM 645 CE2 TRP A 43 5.470 11.030 17.494 1.00 1.00 C ATOM 646 CE3 TRP A 43 5.866 13.403 17.756 1.00 1.00 C ATOM 647 CZ2 TRP A 43 4.108 11.222 17.652 1.00 1.00 C ATOM 648 CZ3 TRP A 43 4.489 13.602 17.910 1.00 1.00 C ATOM 649 CH2 TRP A 43 3.608 12.512 17.857 1.00 1.00 C ATOM 0 H TRP A 43 10.724 11.025 15.809 1.00 1.00 H new ATOM 0 HA TRP A 43 8.542 12.945 15.291 1.00 1.00 H new ATOM 0 HB2 TRP A 43 9.761 11.808 17.856 1.00 1.00 H new ATOM 0 HB3 TRP A 43 8.855 13.308 17.882 1.00 1.00 H new ATOM 0 HD1 TRP A 43 8.417 9.580 17.019 1.00 1.00 H new ATOM 0 HE1 TRP A 43 5.903 8.966 17.173 1.00 1.00 H new ATOM 0 HE3 TRP A 43 6.539 14.246 17.800 1.00 1.00 H new ATOM 0 HZ2 TRP A 43 3.434 10.379 17.617 1.00 1.00 H new ATOM 0 HZ3 TRP A 43 4.104 14.598 18.070 1.00 1.00 H new ATOM 0 HH2 TRP A 43 2.546 12.668 17.974 1.00 1.00 H new ATOM 660 N THR A 44 9.873 14.960 15.719 1.00 1.00 N ATOM 661 CA THR A 44 10.673 16.173 15.720 1.00 1.00 C ATOM 662 C THR A 44 9.868 17.302 16.349 1.00 1.00 C ATOM 663 O THR A 44 8.639 17.234 16.388 1.00 1.00 O ATOM 664 CB THR A 44 11.011 16.523 14.284 1.00 1.00 C ATOM 665 OG1 THR A 44 11.511 17.853 14.221 1.00 1.00 O ATOM 666 CG2 THR A 44 9.735 16.378 13.459 1.00 1.00 C ATOM 0 H THR A 44 8.880 15.117 15.548 1.00 1.00 H new ATOM 0 HA THR A 44 11.589 16.026 16.292 1.00 1.00 H new ATOM 0 HB THR A 44 11.781 15.860 13.890 1.00 1.00 H new ATOM 0 HG1 THR A 44 11.730 18.076 13.292 1.00 1.00 H new ATOM 0 HG21 THR A 44 9.945 16.624 12.418 1.00 1.00 H new ATOM 0 HG22 THR A 44 9.374 15.351 13.524 1.00 1.00 H new ATOM 0 HG23 THR A 44 8.973 17.055 13.845 1.00 1.00 H new ATOM 674 N TYR A 45 10.535 18.357 16.818 1.00 1.00 N ATOM 675 CA TYR A 45 9.816 19.489 17.408 1.00 1.00 C ATOM 676 C TYR A 45 10.490 20.811 17.072 1.00 1.00 C ATOM 677 O TYR A 45 11.712 20.935 17.153 1.00 1.00 O ATOM 678 CB TYR A 45 9.746 19.341 18.933 1.00 1.00 C ATOM 679 CG TYR A 45 9.193 20.618 19.551 1.00 1.00 C ATOM 680 CD1 TYR A 45 7.925 21.090 19.180 1.00 1.00 C ATOM 681 CD2 TYR A 45 9.949 21.325 20.496 1.00 1.00 C ATOM 682 CE1 TYR A 45 7.418 22.261 19.756 1.00 1.00 C ATOM 683 CE2 TYR A 45 9.441 22.498 21.068 1.00 1.00 C ATOM 684 CZ TYR A 45 8.175 22.966 20.696 1.00 1.00 C ATOM 685 OH TYR A 45 7.667 24.115 21.264 1.00 1.00 O ATOM 0 H TYR A 45 11.550 18.453 16.803 1.00 1.00 H new ATOM 0 HA TYR A 45 8.810 19.489 16.988 1.00 1.00 H new ATOM 0 HB2 TYR A 45 9.112 18.495 19.197 1.00 1.00 H new ATOM 0 HB3 TYR A 45 10.738 19.133 19.333 1.00 1.00 H new ATOM 0 HD1 TYR A 45 7.340 20.550 18.450 1.00 1.00 H new ATOM 0 HD2 TYR A 45 10.926 20.964 20.784 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.440 22.620 19.473 1.00 1.00 H new ATOM 0 HE2 TYR A 45 10.026 23.041 21.796 1.00 1.00 H new ATOM 0 HH TYR A 45 8.318 24.482 21.897 1.00 1.00 H new ATOM 695 N ASP A 46 9.670 21.812 16.754 1.00 1.00 N ATOM 696 CA ASP A 46 10.166 23.154 16.477 1.00 1.00 C ATOM 697 C ASP A 46 9.582 24.115 17.514 1.00 1.00 C ATOM 698 O ASP A 46 8.360 24.249 17.616 1.00 1.00 O ATOM 699 CB ASP A 46 9.750 23.606 15.075 1.00 1.00 C ATOM 700 CG ASP A 46 10.272 25.013 14.807 1.00 1.00 C ATOM 701 OD1 ASP A 46 10.812 25.614 15.723 1.00 1.00 O ATOM 702 OD2 ASP A 46 10.119 25.471 13.688 1.00 1.00 O ATOM 0 H ASP A 46 8.657 21.716 16.682 1.00 1.00 H new ATOM 0 HA ASP A 46 11.255 23.151 16.530 1.00 1.00 H new ATOM 0 HB2 ASP A 46 10.143 22.915 14.329 1.00 1.00 H new ATOM 0 HB3 ASP A 46 8.664 23.588 14.985 1.00 1.00 H new ATOM 707 N ASP A 47 10.453 24.754 18.298 1.00 1.00 N ATOM 708 CA ASP A 47 10.000 25.666 19.349 1.00 1.00 C ATOM 709 C ASP A 47 9.683 27.054 18.798 1.00 1.00 C ATOM 710 O ASP A 47 8.973 27.830 19.434 1.00 1.00 O ATOM 711 CB ASP A 47 11.085 25.788 20.427 1.00 1.00 C ATOM 712 CG ASP A 47 12.284 26.580 19.906 1.00 1.00 C ATOM 713 OD1 ASP A 47 12.311 26.869 18.722 1.00 1.00 O ATOM 714 OD2 ASP A 47 13.158 26.887 20.701 1.00 1.00 O ATOM 0 H ASP A 47 11.466 24.658 18.226 1.00 1.00 H new ATOM 0 HA ASP A 47 9.086 25.253 19.775 1.00 1.00 H new ATOM 0 HB2 ASP A 47 10.674 26.280 21.308 1.00 1.00 H new ATOM 0 HB3 ASP A 47 11.408 24.794 20.738 1.00 1.00 H new ATOM 719 N ALA A 48 10.230 27.378 17.631 1.00 1.00 N ATOM 720 CA ALA A 48 9.986 28.697 17.062 1.00 1.00 C ATOM 721 C ALA A 48 8.622 28.742 16.384 1.00 1.00 C ATOM 722 O ALA A 48 8.045 29.813 16.208 1.00 1.00 O ATOM 723 CB ALA A 48 11.066 29.033 16.045 1.00 1.00 C ATOM 0 H ALA A 48 10.828 26.766 17.075 1.00 1.00 H new ATOM 0 HA ALA A 48 10.006 29.429 17.870 1.00 1.00 H new ATOM 0 HB1 ALA A 48 10.876 30.021 15.625 1.00 1.00 H new ATOM 0 HB2 ALA A 48 12.040 29.028 16.534 1.00 1.00 H new ATOM 0 HB3 ALA A 48 11.057 28.291 15.246 1.00 1.00 H new ATOM 729 N THR A 49 8.115 27.569 15.996 1.00 1.00 N ATOM 730 CA THR A 49 6.817 27.481 15.325 1.00 1.00 C ATOM 731 C THR A 49 5.815 26.737 16.206 1.00 1.00 C ATOM 732 O THR A 49 4.622 26.704 15.907 1.00 1.00 O ATOM 733 CB THR A 49 6.967 26.757 13.973 1.00 1.00 C ATOM 734 OG1 THR A 49 7.790 25.612 14.141 1.00 1.00 O ATOM 735 CG2 THR A 49 7.596 27.699 12.937 1.00 1.00 C ATOM 0 H THR A 49 8.581 26.672 16.134 1.00 1.00 H new ATOM 0 HA THR A 49 6.447 28.491 15.147 1.00 1.00 H new ATOM 0 HB THR A 49 5.983 26.451 13.619 1.00 1.00 H new ATOM 0 HG1 THR A 49 8.491 25.609 13.456 1.00 1.00 H new ATOM 0 HG21 THR A 49 7.698 27.177 11.985 1.00 1.00 H new ATOM 0 HG22 THR A 49 6.958 28.573 12.806 1.00 1.00 H new ATOM 0 HG23 THR A 49 8.580 28.016 13.284 1.00 1.00 H new ATOM 743 N LYS A 50 6.306 26.131 17.294 1.00 1.00 N ATOM 744 CA LYS A 50 5.437 25.387 18.193 1.00 1.00 C ATOM 745 C LYS A 50 4.714 24.297 17.419 1.00 1.00 C ATOM 746 O LYS A 50 3.508 24.112 17.569 1.00 1.00 O ATOM 747 CB LYS A 50 4.404 26.323 18.830 1.00 1.00 C ATOM 748 CG LYS A 50 5.058 27.640 19.264 1.00 1.00 C ATOM 749 CD LYS A 50 6.103 27.385 20.362 1.00 1.00 C ATOM 750 CE LYS A 50 6.705 28.719 20.837 1.00 1.00 C ATOM 751 NZ LYS A 50 5.827 29.329 21.875 1.00 1.00 N ATOM 0 H LYS A 50 7.289 26.144 17.565 1.00 1.00 H new ATOM 0 HA LYS A 50 6.047 24.940 18.978 1.00 1.00 H new ATOM 0 HB2 LYS A 50 3.603 26.526 18.119 1.00 1.00 H new ATOM 0 HB3 LYS A 50 3.948 25.836 19.692 1.00 1.00 H new ATOM 0 HG2 LYS A 50 5.532 28.118 18.406 1.00 1.00 H new ATOM 0 HG3 LYS A 50 4.296 28.328 19.631 1.00 1.00 H new ATOM 0 HD2 LYS A 50 5.641 26.866 21.202 1.00 1.00 H new ATOM 0 HD3 LYS A 50 6.892 26.736 19.981 1.00 1.00 H new ATOM 0 HE2 LYS A 50 7.703 28.554 21.243 1.00 1.00 H new ATOM 0 HE3 LYS A 50 6.813 29.400 19.993 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 6.239 30.230 22.192 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 4.883 29.502 21.474 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 5.745 28.682 22.685 1.00 1.00 H new ATOM 765 N THR A 51 5.458 23.590 16.569 1.00 1.00 N ATOM 766 CA THR A 51 4.868 22.529 15.747 1.00 1.00 C ATOM 767 C THR A 51 5.619 21.206 15.923 1.00 1.00 C ATOM 768 O THR A 51 6.841 21.157 15.786 1.00 1.00 O ATOM 769 CB THR A 51 4.907 22.940 14.269 1.00 1.00 C ATOM 770 OG1 THR A 51 4.182 24.150 14.097 1.00 1.00 O ATOM 771 CG2 THR A 51 4.279 21.841 13.411 1.00 1.00 C ATOM 0 H THR A 51 6.459 23.729 16.431 1.00 1.00 H new ATOM 0 HA THR A 51 3.837 22.386 16.070 1.00 1.00 H new ATOM 0 HB THR A 51 5.942 23.088 13.962 1.00 1.00 H new ATOM 0 HG1 THR A 51 4.207 24.415 13.154 1.00 1.00 H new ATOM 0 HG21 THR A 51 4.309 22.137 12.362 1.00 1.00 H new ATOM 0 HG22 THR A 51 4.836 20.914 13.542 1.00 1.00 H new ATOM 0 HG23 THR A 51 3.244 21.688 13.716 1.00 1.00 H new ATOM 779 N PHE A 52 4.872 20.124 16.198 1.00 1.00 N ATOM 780 CA PHE A 52 5.467 18.807 16.349 1.00 1.00 C ATOM 781 C PHE A 52 5.102 18.007 15.127 1.00 1.00 C ATOM 782 O PHE A 52 4.068 18.264 14.528 1.00 1.00 O ATOM 783 CB PHE A 52 4.889 18.100 17.576 1.00 1.00 C ATOM 784 CG PHE A 52 5.383 18.742 18.847 1.00 1.00 C ATOM 785 CD1 PHE A 52 4.706 19.841 19.387 1.00 1.00 C ATOM 786 CD2 PHE A 52 6.505 18.220 19.505 1.00 1.00 C ATOM 787 CE1 PHE A 52 5.150 20.419 20.584 1.00 1.00 C ATOM 788 CE2 PHE A 52 6.949 18.799 20.700 1.00 1.00 C ATOM 789 CZ PHE A 52 6.272 19.898 21.239 1.00 1.00 C ATOM 0 H PHE A 52 3.859 20.146 16.318 1.00 1.00 H new ATOM 0 HA PHE A 52 6.547 18.898 16.468 1.00 1.00 H new ATOM 0 HB2 PHE A 52 3.800 18.138 17.544 1.00 1.00 H new ATOM 0 HB3 PHE A 52 5.172 17.047 17.561 1.00 1.00 H new ATOM 0 HD1 PHE A 52 3.841 20.244 18.881 1.00 1.00 H new ATOM 0 HD2 PHE A 52 7.027 17.371 19.090 1.00 1.00 H new ATOM 0 HE1 PHE A 52 4.626 21.267 21.001 1.00 1.00 H new ATOM 0 HE2 PHE A 52 7.814 18.397 21.206 1.00 1.00 H new ATOM 0 HZ PHE A 52 6.615 20.345 22.161 1.00 1.00 H new ATOM 799 N THR A 53 5.915 17.033 14.747 1.00 1.00 N ATOM 800 CA THR A 53 5.564 16.212 13.591 1.00 1.00 C ATOM 801 C THR A 53 5.928 14.766 13.857 1.00 1.00 C ATOM 802 O THR A 53 6.953 14.480 14.484 1.00 1.00 O ATOM 803 CB THR A 53 6.277 16.682 12.311 1.00 1.00 C ATOM 804 OG1 THR A 53 7.560 16.093 12.244 1.00 1.00 O ATOM 805 CG2 THR A 53 6.410 18.206 12.295 1.00 1.00 C ATOM 0 H THR A 53 6.796 16.794 15.203 1.00 1.00 H new ATOM 0 HA THR A 53 4.489 16.311 13.437 1.00 1.00 H new ATOM 0 HB THR A 53 5.685 16.377 11.448 1.00 1.00 H new ATOM 0 HG1 THR A 53 8.014 16.390 11.428 1.00 1.00 H new ATOM 0 HG21 THR A 53 6.917 18.517 11.382 1.00 1.00 H new ATOM 0 HG22 THR A 53 5.419 18.658 12.332 1.00 1.00 H new ATOM 0 HG23 THR A 53 6.989 18.530 13.160 1.00 1.00 H new ATOM 813 N VAL A 54 5.136 13.847 13.307 1.00 1.00 N ATOM 814 CA VAL A 54 5.447 12.434 13.420 1.00 1.00 C ATOM 815 C VAL A 54 5.262 11.794 12.056 1.00 1.00 C ATOM 816 O VAL A 54 4.306 12.089 11.338 1.00 1.00 O ATOM 817 CB VAL A 54 4.583 11.757 14.480 1.00 1.00 C ATOM 818 CG1 VAL A 54 3.122 11.808 14.079 1.00 1.00 C ATOM 819 CG2 VAL A 54 5.025 10.296 14.640 1.00 1.00 C ATOM 0 H VAL A 54 4.285 14.058 12.786 1.00 1.00 H new ATOM 0 HA VAL A 54 6.481 12.310 13.743 1.00 1.00 H new ATOM 0 HB VAL A 54 4.704 12.283 15.427 1.00 1.00 H new ATOM 0 HG11 VAL A 54 2.517 11.321 14.844 1.00 1.00 H new ATOM 0 HG12 VAL A 54 2.809 12.847 13.976 1.00 1.00 H new ATOM 0 HG13 VAL A 54 2.987 11.292 13.128 1.00 1.00 H new ATOM 0 HG21 VAL A 54 4.409 9.810 15.397 1.00 1.00 H new ATOM 0 HG22 VAL A 54 4.910 9.775 13.690 1.00 1.00 H new ATOM 0 HG23 VAL A 54 6.070 10.264 14.947 1.00 1.00 H new ATOM 829 N THR A 55 6.214 10.953 11.679 1.00 1.00 N ATOM 830 CA THR A 55 6.183 10.314 10.376 1.00 1.00 C ATOM 831 C THR A 55 6.584 8.852 10.461 1.00 1.00 C ATOM 832 O THR A 55 7.672 8.524 10.930 1.00 1.00 O ATOM 833 CB THR A 55 7.127 11.075 9.450 1.00 1.00 C ATOM 834 OG1 THR A 55 6.737 12.441 9.432 1.00 1.00 O ATOM 835 CG2 THR A 55 7.057 10.512 8.023 1.00 1.00 C ATOM 0 H THR A 55 7.015 10.699 12.257 1.00 1.00 H new ATOM 0 HA THR A 55 5.166 10.341 9.986 1.00 1.00 H new ATOM 0 HB THR A 55 8.149 10.970 9.815 1.00 1.00 H new ATOM 0 HG1 THR A 55 7.535 13.009 9.453 1.00 1.00 H new ATOM 0 HG21 THR A 55 7.738 11.068 7.379 1.00 1.00 H new ATOM 0 HG22 THR A 55 7.344 9.461 8.032 1.00 1.00 H new ATOM 0 HG23 THR A 55 6.039 10.607 7.644 1.00 1.00 H new ATOM 843 N GLU A 56 5.694 7.983 9.984 1.00 1.00 N ATOM 844 CA GLU A 56 5.933 6.549 9.986 1.00 1.00 C ATOM 845 C GLU A 56 6.472 6.098 8.631 1.00 1.00 C ATOM 846 O GLU A 56 6.401 6.879 7.697 1.00 1.00 O ATOM 847 CB GLU A 56 4.618 5.831 10.270 1.00 1.00 C ATOM 848 CG GLU A 56 3.856 6.546 11.383 1.00 1.00 C ATOM 849 CD GLU A 56 2.494 5.889 11.548 1.00 1.00 C ATOM 850 OE1 GLU A 56 1.590 6.265 10.823 1.00 1.00 O ATOM 851 OE2 GLU A 56 2.370 5.026 12.403 1.00 1.00 O ATOM 852 OXT GLU A 56 6.949 4.978 8.549 1.00 1.00 O ATOM 0 H GLU A 56 4.794 8.255 9.589 1.00 1.00 H new ATOM 0 HA GLU A 56 6.669 6.309 10.754 1.00 1.00 H new ATOM 0 HB2 GLU A 56 4.010 5.799 9.366 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.814 4.798 10.559 1.00 1.00 H new ATOM 0 HG2 GLU A 56 4.416 6.493 12.317 1.00 1.00 H new ATOM 0 HG3 GLU A 56 3.738 7.602 11.141 1.00 1.00 H new