USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 420 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 50 THR OG1 : rot -34:sc= 0.396 USER MOD Set 1.2: A 52 THR OG1 : rot 51:sc= 0.426 USER MOD Set 2.1: A 33 GLN : amide:sc= -2.3! K(o=-3.4!,f=0.77) USER MOD Set 2.2: A 36 ASN : amide:sc= -1.12! K(o=-3.4!,f=0.77) USER MOD Single : A 1 MET CE :methyl -164:sc= 0 (180deg=-0.0437) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.199 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -72:sc= 0.493 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.342 K(o=-0.34,f=-1.6!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -86:sc= 1.29 USER MOD Single : A 14 LYS NZ :NH3+ 148:sc= -0.223 (180deg=-1.34!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -150:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 1.34 K(o=1.3,f=-0.076) USER MOD Single : A 45 THR OG1 : rot -48:sc= -0.303 USER MOD Single : A 46 TYR OH : rot -157:sc= 1.31 USER MOD Single : A 51 LYS NZ :NH3+ -140:sc= -0.144 (180deg=-0.532) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.234 -0.442 0.317 1.00 0.00 N ATOM 2 CA MET A 1 -15.392 -1.101 -0.694 1.00 0.00 C ATOM 3 C MET A 1 -14.911 -0.042 -1.697 1.00 0.00 C ATOM 4 O MET A 1 -15.261 1.137 -1.575 1.00 0.00 O ATOM 5 CB MET A 1 -16.182 -2.282 -1.289 1.00 0.00 C ATOM 6 CG MET A 1 -15.412 -3.174 -2.263 1.00 0.00 C ATOM 7 SD MET A 1 -15.760 -4.942 -2.106 1.00 0.00 S ATOM 8 CE MET A 1 -14.256 -5.590 -2.881 1.00 0.00 C ATOM 0 H1 MET A 1 -15.871 -0.660 1.267 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.216 0.587 0.167 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.212 -0.787 0.233 1.00 0.00 H new ATOM 0 HA MET A 1 -14.483 -1.537 -0.279 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.546 -2.901 -0.469 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.058 -1.886 -1.803 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.643 -2.861 -3.281 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.344 -3.013 -2.115 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.402 -6.639 -3.137 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.040 -5.022 -3.786 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.421 -5.498 -2.187 1.00 0.00 H new ATOM 18 N GLY A 2 -14.206 -0.434 -2.752 1.00 0.00 N ATOM 19 CA GLY A 2 -13.661 0.423 -3.784 1.00 0.00 C ATOM 20 C GLY A 2 -12.209 0.064 -4.067 1.00 0.00 C ATOM 21 O GLY A 2 -11.600 -0.782 -3.403 1.00 0.00 O ATOM 0 H GLY A 2 -13.990 -1.418 -2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.250 0.323 -4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.729 1.465 -3.472 1.00 0.00 H new ATOM 25 N THR A 3 -11.680 0.683 -5.115 1.00 0.00 N ATOM 26 CA THR A 3 -10.319 0.485 -5.570 1.00 0.00 C ATOM 27 C THR A 3 -9.399 1.319 -4.681 1.00 0.00 C ATOM 28 O THR A 3 -9.616 2.520 -4.505 1.00 0.00 O ATOM 29 CB THR A 3 -10.214 0.871 -7.058 1.00 0.00 C ATOM 30 OG1 THR A 3 -11.342 0.415 -7.802 1.00 0.00 O ATOM 31 CG2 THR A 3 -8.938 0.329 -7.709 1.00 0.00 C ATOM 0 H THR A 3 -12.202 1.351 -5.682 1.00 0.00 H new ATOM 0 HA THR A 3 -10.018 -0.560 -5.492 1.00 0.00 H new ATOM 0 HB THR A 3 -10.183 1.960 -7.080 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.297 -0.559 -7.901 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.909 0.627 -8.757 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.067 0.732 -7.193 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.929 -0.759 -7.641 1.00 0.00 H new ATOM 39 N TYR A 4 -8.412 0.662 -4.086 1.00 0.00 N ATOM 40 CA TYR A 4 -7.401 1.234 -3.221 1.00 0.00 C ATOM 41 C TYR A 4 -6.085 1.253 -4.011 1.00 0.00 C ATOM 42 O TYR A 4 -5.920 0.481 -4.963 1.00 0.00 O ATOM 43 CB TYR A 4 -7.289 0.372 -1.955 1.00 0.00 C ATOM 44 CG TYR A 4 -8.361 0.598 -0.907 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.176 1.596 0.068 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.495 -0.232 -0.843 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.072 1.724 1.142 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.408 -0.097 0.216 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.184 0.861 1.233 1.00 0.00 C ATOM 50 OH TYR A 4 -11.057 0.969 2.274 1.00 0.00 O ATOM 0 H TYR A 4 -8.293 -0.344 -4.205 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.651 2.249 -2.912 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.311 -0.677 -2.249 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.316 0.555 -1.498 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.336 2.271 -0.011 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.664 -0.974 -1.609 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -8.910 2.481 1.896 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.284 -0.727 0.254 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.764 0.298 2.179 1.00 0.00 H new ATOM 60 N LYS A 5 -5.123 2.084 -3.603 1.00 0.00 N ATOM 61 CA LYS A 5 -3.813 2.226 -4.237 1.00 0.00 C ATOM 62 C LYS A 5 -2.717 2.160 -3.186 1.00 0.00 C ATOM 63 O LYS A 5 -2.913 2.621 -2.063 1.00 0.00 O ATOM 64 CB LYS A 5 -3.754 3.573 -4.981 1.00 0.00 C ATOM 65 CG LYS A 5 -2.399 3.851 -5.662 1.00 0.00 C ATOM 66 CD LYS A 5 -2.240 5.286 -6.169 1.00 0.00 C ATOM 67 CE LYS A 5 -3.140 5.640 -7.353 1.00 0.00 C ATOM 68 NZ LYS A 5 -4.374 6.328 -6.935 1.00 0.00 N ATOM 0 H LYS A 5 -5.240 2.696 -2.795 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.662 1.413 -4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.540 3.595 -5.736 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.967 4.376 -4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.598 3.635 -4.955 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.278 3.165 -6.500 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.451 5.973 -5.350 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.201 5.443 -6.458 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.590 6.276 -8.047 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.400 4.730 -7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.950 6.547 -7.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.914 5.713 -6.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.130 7.211 -6.443 1.00 0.00 H new ATOM 82 N LEU A 6 -1.575 1.588 -3.544 1.00 0.00 N ATOM 83 CA LEU A 6 -0.403 1.478 -2.691 1.00 0.00 C ATOM 84 C LEU A 6 0.745 2.101 -3.459 1.00 0.00 C ATOM 85 O LEU A 6 0.928 1.792 -4.636 1.00 0.00 O ATOM 86 CB LEU A 6 -0.081 0.026 -2.354 1.00 0.00 C ATOM 87 CG LEU A 6 1.280 -0.214 -1.666 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.315 0.439 -0.277 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.531 -1.725 -1.577 1.00 0.00 C ATOM 0 H LEU A 6 -1.436 1.175 -4.466 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.580 1.984 -1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.868 -0.361 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.110 -0.557 -3.275 1.00 0.00 H new ATOM 0 HG LEU A 6 2.073 0.247 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.284 0.256 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.157 1.513 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.528 0.013 0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.490 -1.907 -1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.736 -2.192 -0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.545 -2.151 -2.580 1.00 0.00 H new ATOM 101 N ILE A 7 1.516 2.928 -2.766 1.00 0.00 N ATOM 102 CA ILE A 7 2.681 3.624 -3.279 1.00 0.00 C ATOM 103 C ILE A 7 3.863 3.143 -2.441 1.00 0.00 C ATOM 104 O ILE A 7 3.962 3.414 -1.242 1.00 0.00 O ATOM 105 CB ILE A 7 2.473 5.150 -3.235 1.00 0.00 C ATOM 106 CG1 ILE A 7 1.237 5.552 -4.073 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.758 5.862 -3.707 1.00 0.00 C ATOM 108 CD1 ILE A 7 0.953 7.052 -4.077 1.00 0.00 C ATOM 0 H ILE A 7 1.335 3.140 -1.785 1.00 0.00 H new ATOM 0 HA ILE A 7 2.866 3.403 -4.330 1.00 0.00 H new ATOM 0 HB ILE A 7 2.276 5.465 -2.210 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.382 5.217 -5.100 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.363 5.028 -3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.609 6.941 -3.675 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.586 5.591 -3.052 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.989 5.558 -4.728 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.072 7.254 -4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.775 7.391 -3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.810 7.583 -4.491 1.00 0.00 H new ATOM 120 N LEU A 8 4.711 2.328 -3.049 1.00 0.00 N ATOM 121 CA LEU A 8 5.898 1.783 -2.433 1.00 0.00 C ATOM 122 C LEU A 8 6.976 2.840 -2.630 1.00 0.00 C ATOM 123 O LEU A 8 7.484 3.017 -3.740 1.00 0.00 O ATOM 124 CB LEU A 8 6.280 0.473 -3.126 1.00 0.00 C ATOM 125 CG LEU A 8 5.271 -0.660 -2.987 1.00 0.00 C ATOM 126 CD1 LEU A 8 5.777 -1.885 -3.763 1.00 0.00 C ATOM 127 CD2 LEU A 8 5.022 -1.080 -1.547 1.00 0.00 C ATOM 0 H LEU A 8 4.583 2.022 -4.014 1.00 0.00 H new ATOM 0 HA LEU A 8 5.756 1.557 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.431 0.674 -4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.236 0.136 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 8 4.329 -0.284 -3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.058 -2.699 -3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.894 -1.626 -4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.739 -2.200 -3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.293 -1.890 -1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.956 -1.420 -1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.638 -0.231 -0.982 1.00 0.00 H new ATOM 139 N ASN A 9 7.292 3.564 -1.562 1.00 0.00 N ATOM 140 CA ASN A 9 8.299 4.624 -1.563 1.00 0.00 C ATOM 141 C ASN A 9 9.561 4.084 -0.899 1.00 0.00 C ATOM 142 O ASN A 9 9.943 4.523 0.191 1.00 0.00 O ATOM 143 CB ASN A 9 7.798 5.879 -0.806 1.00 0.00 C ATOM 144 CG ASN A 9 6.972 6.846 -1.627 1.00 0.00 C ATOM 145 OD1 ASN A 9 6.870 6.742 -2.841 1.00 0.00 O ATOM 146 ND2 ASN A 9 6.383 7.831 -0.982 1.00 0.00 N ATOM 0 H ASN A 9 6.848 3.430 -0.653 1.00 0.00 H new ATOM 0 HA ASN A 9 8.504 4.923 -2.591 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.204 5.554 0.048 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.662 6.412 -0.409 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.833 8.520 -1.495 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.477 7.905 0.031 1.00 0.00 H new ATOM 153 N GLY A 10 10.301 3.219 -1.591 1.00 0.00 N ATOM 154 CA GLY A 10 11.516 2.672 -1.024 1.00 0.00 C ATOM 155 C GLY A 10 12.794 3.419 -1.382 1.00 0.00 C ATOM 156 O GLY A 10 12.951 4.065 -2.426 1.00 0.00 O ATOM 0 H GLY A 10 10.079 2.890 -2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.416 2.656 0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.616 1.637 -1.350 1.00 0.00 H new ATOM 160 N LYS A 11 13.744 3.297 -0.462 1.00 0.00 N ATOM 161 CA LYS A 11 15.088 3.865 -0.532 1.00 0.00 C ATOM 162 C LYS A 11 15.947 2.996 -1.442 1.00 0.00 C ATOM 163 O LYS A 11 17.026 3.412 -1.869 1.00 0.00 O ATOM 164 CB LYS A 11 15.713 3.871 0.869 1.00 0.00 C ATOM 165 CG LYS A 11 14.985 4.834 1.815 1.00 0.00 C ATOM 166 CD LYS A 11 15.401 4.595 3.264 1.00 0.00 C ATOM 167 CE LYS A 11 16.856 4.940 3.581 1.00 0.00 C ATOM 168 NZ LYS A 11 17.168 4.583 4.981 1.00 0.00 N ATOM 0 H LYS A 11 13.591 2.772 0.399 1.00 0.00 H new ATOM 0 HA LYS A 11 15.034 4.882 -0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.684 2.863 1.284 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.763 4.156 0.797 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.208 5.863 1.534 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.908 4.702 1.716 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.753 5.183 3.914 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.230 3.546 3.508 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.521 4.404 2.904 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.029 6.004 3.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 18.159 4.821 5.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.544 5.113 5.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 17.021 3.563 5.120 1.00 0.00 H new ATOM 182 N THR A 12 15.468 1.796 -1.745 1.00 0.00 N ATOM 183 CA THR A 12 16.091 0.787 -2.575 1.00 0.00 C ATOM 184 C THR A 12 15.413 0.748 -3.944 1.00 0.00 C ATOM 185 O THR A 12 16.064 0.940 -4.969 1.00 0.00 O ATOM 186 CB THR A 12 16.000 -0.564 -1.837 1.00 0.00 C ATOM 187 OG1 THR A 12 14.688 -0.825 -1.361 1.00 0.00 O ATOM 188 CG2 THR A 12 16.950 -0.614 -0.643 1.00 0.00 C ATOM 0 H THR A 12 14.565 1.485 -1.387 1.00 0.00 H new ATOM 0 HA THR A 12 17.142 1.017 -2.751 1.00 0.00 H new ATOM 0 HB THR A 12 16.279 -1.321 -2.570 1.00 0.00 H new ATOM 0 HG1 THR A 12 14.572 -0.413 -0.480 1.00 0.00 H new ATOM 0 HG21 THR A 12 16.860 -1.580 -0.146 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.975 -0.478 -0.988 1.00 0.00 H new ATOM 0 HG23 THR A 12 16.695 0.180 0.059 1.00 0.00 H new ATOM 196 N LEU A 13 14.116 0.449 -3.967 1.00 0.00 N ATOM 197 CA LEU A 13 13.267 0.342 -5.156 1.00 0.00 C ATOM 198 C LEU A 13 11.953 1.038 -4.849 1.00 0.00 C ATOM 199 O LEU A 13 11.689 1.276 -3.676 1.00 0.00 O ATOM 200 CB LEU A 13 13.063 -1.149 -5.473 1.00 0.00 C ATOM 201 CG LEU A 13 12.068 -1.468 -6.611 1.00 0.00 C ATOM 202 CD1 LEU A 13 12.440 -0.800 -7.939 1.00 0.00 C ATOM 203 CD2 LEU A 13 11.970 -2.978 -6.852 1.00 0.00 C ATOM 0 H LEU A 13 13.598 0.264 -3.108 1.00 0.00 H new ATOM 0 HA LEU A 13 13.719 0.815 -6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.030 -1.581 -5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.721 -1.650 -4.567 1.00 0.00 H new ATOM 0 HG LEU A 13 11.110 -1.069 -6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.703 -1.063 -8.698 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.458 0.282 -7.810 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.425 -1.143 -8.256 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.263 -3.173 -7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.950 -3.367 -7.128 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.627 -3.470 -5.942 1.00 0.00 H new ATOM 215 N LYS A 14 11.180 1.450 -5.854 1.00 0.00 N ATOM 216 CA LYS A 14 9.873 2.091 -5.690 1.00 0.00 C ATOM 217 C LYS A 14 8.893 1.429 -6.645 1.00 0.00 C ATOM 218 O LYS A 14 9.322 0.855 -7.652 1.00 0.00 O ATOM 219 CB LYS A 14 9.903 3.603 -5.934 1.00 0.00 C ATOM 220 CG LYS A 14 10.779 4.347 -4.918 1.00 0.00 C ATOM 221 CD LYS A 14 11.955 5.129 -5.500 1.00 0.00 C ATOM 222 CE LYS A 14 13.001 4.297 -6.258 1.00 0.00 C ATOM 223 NZ LYS A 14 12.700 4.148 -7.698 1.00 0.00 N ATOM 0 H LYS A 14 11.452 1.345 -6.831 1.00 0.00 H new ATOM 0 HA LYS A 14 9.565 1.960 -4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.275 3.798 -6.940 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.887 3.995 -5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.148 5.039 -4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.168 3.622 -4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.563 5.889 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.456 5.654 -4.687 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.979 4.766 -6.145 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.067 3.308 -5.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.589 4.091 -8.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.148 3.280 -7.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.151 4.969 -8.025 1.00 0.00 H new ATOM 237 N GLY A 15 7.602 1.505 -6.357 1.00 0.00 N ATOM 238 CA GLY A 15 6.571 0.918 -7.193 1.00 0.00 C ATOM 239 C GLY A 15 5.182 1.388 -6.791 1.00 0.00 C ATOM 240 O GLY A 15 5.012 2.122 -5.819 1.00 0.00 O ATOM 0 H GLY A 15 7.240 1.980 -5.530 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.756 1.179 -8.235 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.621 -0.169 -7.123 1.00 0.00 H new ATOM 244 N GLU A 16 4.178 0.971 -7.552 1.00 0.00 N ATOM 245 CA GLU A 16 2.783 1.296 -7.314 1.00 0.00 C ATOM 246 C GLU A 16 1.924 0.110 -7.742 1.00 0.00 C ATOM 247 O GLU A 16 2.270 -0.608 -8.691 1.00 0.00 O ATOM 248 CB GLU A 16 2.342 2.529 -8.128 1.00 0.00 C ATOM 249 CG GLU A 16 2.670 3.880 -7.492 1.00 0.00 C ATOM 250 CD GLU A 16 1.920 5.001 -8.218 1.00 0.00 C ATOM 251 OE1 GLU A 16 0.687 5.139 -8.049 1.00 0.00 O ATOM 252 OE2 GLU A 16 2.528 5.760 -9.005 1.00 0.00 O ATOM 0 H GLU A 16 4.318 0.382 -8.373 1.00 0.00 H new ATOM 0 HA GLU A 16 2.661 1.516 -6.253 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.813 2.484 -9.110 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.265 2.473 -8.288 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.394 3.871 -6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.744 4.061 -7.538 1.00 0.00 H new ATOM 259 N THR A 17 0.787 -0.069 -7.077 1.00 0.00 N ATOM 260 CA THR A 17 -0.191 -1.104 -7.343 1.00 0.00 C ATOM 261 C THR A 17 -1.554 -0.594 -6.883 1.00 0.00 C ATOM 262 O THR A 17 -1.661 0.308 -6.048 1.00 0.00 O ATOM 263 CB THR A 17 0.215 -2.425 -6.657 1.00 0.00 C ATOM 264 OG1 THR A 17 -0.688 -3.464 -6.970 1.00 0.00 O ATOM 265 CG2 THR A 17 0.232 -2.382 -5.127 1.00 0.00 C ATOM 0 H THR A 17 0.515 0.536 -6.302 1.00 0.00 H new ATOM 0 HA THR A 17 -0.243 -1.325 -8.409 1.00 0.00 H new ATOM 0 HB THR A 17 1.224 -2.593 -7.034 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.405 -4.289 -6.523 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.529 -3.356 -4.739 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.942 -1.626 -4.792 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.763 -2.133 -4.759 1.00 0.00 H new ATOM 273 N THR A 18 -2.609 -1.185 -7.424 1.00 0.00 N ATOM 274 CA THR A 18 -3.990 -0.890 -7.118 1.00 0.00 C ATOM 275 C THR A 18 -4.665 -2.244 -6.893 1.00 0.00 C ATOM 276 O THR A 18 -4.323 -3.223 -7.561 1.00 0.00 O ATOM 277 CB THR A 18 -4.626 -0.039 -8.233 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.269 -0.453 -9.547 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.183 1.417 -8.100 1.00 0.00 C ATOM 0 H THR A 18 -2.514 -1.921 -8.124 1.00 0.00 H new ATOM 0 HA THR A 18 -4.105 -0.280 -6.222 1.00 0.00 H new ATOM 0 HB THR A 18 -5.702 -0.163 -8.106 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.708 0.128 -10.203 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.638 2.010 -8.893 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.496 1.806 -7.131 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.098 1.476 -8.181 1.00 0.00 H new ATOM 287 N THR A 19 -5.520 -2.348 -5.879 1.00 0.00 N ATOM 288 CA THR A 19 -6.233 -3.570 -5.539 1.00 0.00 C ATOM 289 C THR A 19 -7.604 -3.162 -4.998 1.00 0.00 C ATOM 290 O THR A 19 -7.774 -2.038 -4.517 1.00 0.00 O ATOM 291 CB THR A 19 -5.371 -4.418 -4.578 1.00 0.00 C ATOM 292 OG1 THR A 19 -5.557 -5.806 -4.776 1.00 0.00 O ATOM 293 CG2 THR A 19 -5.657 -4.098 -3.116 1.00 0.00 C ATOM 0 H THR A 19 -5.739 -1.568 -5.260 1.00 0.00 H new ATOM 0 HA THR A 19 -6.409 -4.216 -6.399 1.00 0.00 H new ATOM 0 HB THR A 19 -4.339 -4.156 -4.810 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.992 -6.304 -4.149 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.028 -4.718 -2.478 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.443 -3.047 -2.925 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.706 -4.300 -2.898 1.00 0.00 H new ATOM 301 N GLU A 20 -8.613 -4.012 -5.126 1.00 0.00 N ATOM 302 CA GLU A 20 -9.949 -3.722 -4.628 1.00 0.00 C ATOM 303 C GLU A 20 -10.101 -4.438 -3.293 1.00 0.00 C ATOM 304 O GLU A 20 -9.829 -5.636 -3.202 1.00 0.00 O ATOM 305 CB GLU A 20 -10.970 -4.134 -5.691 1.00 0.00 C ATOM 306 CG GLU A 20 -10.944 -3.023 -6.748 1.00 0.00 C ATOM 307 CD GLU A 20 -11.731 -3.282 -8.018 1.00 0.00 C ATOM 308 OE1 GLU A 20 -11.826 -4.434 -8.502 1.00 0.00 O ATOM 309 OE2 GLU A 20 -12.122 -2.254 -8.617 1.00 0.00 O ATOM 0 H GLU A 20 -8.528 -4.922 -5.578 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.120 -2.661 -4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.710 -5.097 -6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.965 -4.239 -5.258 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.323 -2.108 -6.292 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.906 -2.836 -7.022 1.00 0.00 H new ATOM 316 N ALA A 21 -10.496 -3.706 -2.248 1.00 0.00 N ATOM 317 CA ALA A 21 -10.679 -4.248 -0.909 1.00 0.00 C ATOM 318 C ALA A 21 -12.024 -3.802 -0.341 1.00 0.00 C ATOM 319 O ALA A 21 -12.513 -2.708 -0.636 1.00 0.00 O ATOM 320 CB ALA A 21 -9.511 -3.824 -0.024 1.00 0.00 C ATOM 0 H ALA A 21 -10.699 -2.709 -2.314 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.691 -5.337 -0.947 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.648 -4.230 0.978 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.580 -4.203 -0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.470 -2.736 0.027 1.00 0.00 H new ATOM 326 N VAL A 22 -12.611 -4.656 0.495 1.00 0.00 N ATOM 327 CA VAL A 22 -13.906 -4.409 1.117 1.00 0.00 C ATOM 328 C VAL A 22 -13.844 -3.267 2.130 1.00 0.00 C ATOM 329 O VAL A 22 -14.783 -2.468 2.200 1.00 0.00 O ATOM 330 CB VAL A 22 -14.468 -5.719 1.713 1.00 0.00 C ATOM 331 CG1 VAL A 22 -13.834 -6.131 3.046 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.985 -5.631 1.895 1.00 0.00 C ATOM 0 H VAL A 22 -12.195 -5.548 0.761 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.604 -4.076 0.349 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.210 -6.488 0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.287 -7.060 3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.763 -6.278 2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.001 -5.348 3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.356 -6.566 2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -16.223 -4.809 2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.458 -5.455 0.929 1.00 0.00 H new ATOM 342 N ASP A 23 -12.757 -3.177 2.893 1.00 0.00 N ATOM 343 CA ASP A 23 -12.505 -2.179 3.921 1.00 0.00 C ATOM 344 C ASP A 23 -11.003 -1.911 3.996 1.00 0.00 C ATOM 345 O ASP A 23 -10.196 -2.616 3.375 1.00 0.00 O ATOM 346 CB ASP A 23 -13.125 -2.583 5.276 1.00 0.00 C ATOM 347 CG ASP A 23 -12.560 -3.842 5.942 1.00 0.00 C ATOM 348 OD1 ASP A 23 -11.352 -4.108 5.790 1.00 0.00 O ATOM 349 OD2 ASP A 23 -13.333 -4.538 6.645 1.00 0.00 O ATOM 0 H ASP A 23 -11.986 -3.839 2.802 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.999 -1.245 3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.005 -1.749 5.967 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.196 -2.726 5.131 1.00 0.00 H new ATOM 354 N ALA A 24 -10.635 -0.864 4.737 1.00 0.00 N ATOM 355 CA ALA A 24 -9.253 -0.453 4.917 1.00 0.00 C ATOM 356 C ALA A 24 -8.433 -1.509 5.661 1.00 0.00 C ATOM 357 O ALA A 24 -7.203 -1.439 5.625 1.00 0.00 O ATOM 358 CB ALA A 24 -9.204 0.886 5.661 1.00 0.00 C ATOM 0 H ALA A 24 -11.303 -0.274 5.233 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.807 -0.337 3.929 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.166 1.191 5.794 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.733 1.643 5.082 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.678 0.778 6.637 1.00 0.00 H new ATOM 364 N ALA A 25 -9.068 -2.443 6.381 1.00 0.00 N ATOM 365 CA ALA A 25 -8.329 -3.469 7.085 1.00 0.00 C ATOM 366 C ALA A 25 -7.834 -4.479 6.063 1.00 0.00 C ATOM 367 O ALA A 25 -6.635 -4.758 6.062 1.00 0.00 O ATOM 368 CB ALA A 25 -9.145 -4.105 8.201 1.00 0.00 C ATOM 0 H ALA A 25 -10.081 -2.500 6.484 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.472 -3.025 7.591 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.547 -4.868 8.699 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.432 -3.340 8.923 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.041 -4.562 7.781 1.00 0.00 H new ATOM 374 N THR A 26 -8.713 -4.985 5.188 1.00 0.00 N ATOM 375 CA THR A 26 -8.326 -5.931 4.145 1.00 0.00 C ATOM 376 C THR A 26 -7.297 -5.241 3.251 1.00 0.00 C ATOM 377 O THR A 26 -6.301 -5.851 2.875 1.00 0.00 O ATOM 378 CB THR A 26 -9.548 -6.306 3.286 1.00 0.00 C ATOM 379 OG1 THR A 26 -10.537 -6.988 4.026 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.237 -7.158 2.049 1.00 0.00 C ATOM 0 H THR A 26 -9.705 -4.749 5.187 1.00 0.00 H new ATOM 0 HA THR A 26 -7.919 -6.835 4.598 1.00 0.00 H new ATOM 0 HB THR A 26 -9.909 -5.334 2.949 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.024 -7.599 3.435 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.161 -7.369 1.511 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.553 -6.616 1.396 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.776 -8.096 2.360 1.00 0.00 H new ATOM 388 N ALA A 27 -7.525 -3.960 2.936 1.00 0.00 N ATOM 389 CA ALA A 27 -6.645 -3.212 2.070 1.00 0.00 C ATOM 390 C ALA A 27 -5.224 -3.163 2.615 1.00 0.00 C ATOM 391 O ALA A 27 -4.278 -3.506 1.901 1.00 0.00 O ATOM 392 CB ALA A 27 -7.197 -1.790 1.879 1.00 0.00 C ATOM 0 H ALA A 27 -8.324 -3.427 3.279 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.604 -3.720 1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.532 -1.226 1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.189 -1.842 1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.262 -1.292 2.846 1.00 0.00 H new ATOM 398 N GLU A 28 -5.086 -2.780 3.880 1.00 0.00 N ATOM 399 CA GLU A 28 -3.787 -2.679 4.525 1.00 0.00 C ATOM 400 C GLU A 28 -3.096 -4.041 4.625 1.00 0.00 C ATOM 401 O GLU A 28 -1.884 -4.117 4.460 1.00 0.00 O ATOM 402 CB GLU A 28 -3.956 -1.977 5.876 1.00 0.00 C ATOM 403 CG GLU A 28 -2.633 -1.811 6.635 1.00 0.00 C ATOM 404 CD GLU A 28 -2.750 -0.779 7.762 1.00 0.00 C ATOM 405 OE1 GLU A 28 -3.724 -0.863 8.543 1.00 0.00 O ATOM 406 OE2 GLU A 28 -1.859 0.105 7.860 1.00 0.00 O ATOM 0 H GLU A 28 -5.870 -2.532 4.483 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.118 -2.072 3.915 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.402 -0.996 5.716 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.652 -2.547 6.491 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.330 -2.772 7.052 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.851 -1.504 5.940 1.00 0.00 H new ATOM 413 N LYS A 29 -3.834 -5.125 4.878 1.00 0.00 N ATOM 414 CA LYS A 29 -3.256 -6.469 4.977 1.00 0.00 C ATOM 415 C LYS A 29 -2.728 -6.889 3.609 1.00 0.00 C ATOM 416 O LYS A 29 -1.569 -7.294 3.498 1.00 0.00 O ATOM 417 CB LYS A 29 -4.331 -7.466 5.447 1.00 0.00 C ATOM 418 CG LYS A 29 -4.767 -7.223 6.900 1.00 0.00 C ATOM 419 CD LYS A 29 -6.134 -7.857 7.208 1.00 0.00 C ATOM 420 CE LYS A 29 -6.738 -7.158 8.428 1.00 0.00 C ATOM 421 NZ LYS A 29 -7.975 -7.805 8.926 1.00 0.00 N ATOM 0 H LYS A 29 -4.844 -5.097 5.019 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.439 -6.462 5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.200 -7.392 4.794 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.946 -8.481 5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.017 -7.633 7.576 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.814 -6.151 7.089 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.798 -7.758 6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.020 -8.924 7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.999 -7.139 9.229 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.957 -6.121 8.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.332 -7.283 9.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.695 -7.800 8.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.767 -8.786 9.200 1.00 0.00 H new ATOM 435 N VAL A 30 -3.554 -6.754 2.568 1.00 0.00 N ATOM 436 CA VAL A 30 -3.172 -7.124 1.209 1.00 0.00 C ATOM 437 C VAL A 30 -1.934 -6.342 0.796 1.00 0.00 C ATOM 438 O VAL A 30 -0.952 -6.925 0.330 1.00 0.00 O ATOM 439 CB VAL A 30 -4.369 -6.902 0.264 1.00 0.00 C ATOM 440 CG1 VAL A 30 -4.017 -6.903 -1.229 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.360 -8.035 0.511 1.00 0.00 C ATOM 0 H VAL A 30 -4.502 -6.386 2.646 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.911 -8.181 1.155 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.767 -5.912 0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.921 -6.740 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.302 -6.106 -1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.578 -7.863 -1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.224 -7.912 -0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.880 -8.991 0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.686 -8.013 1.551 1.00 0.00 H new ATOM 451 N PHE A 31 -1.968 -5.021 0.974 1.00 0.00 N ATOM 452 CA PHE A 31 -0.851 -4.172 0.623 1.00 0.00 C ATOM 453 C PHE A 31 0.378 -4.502 1.450 1.00 0.00 C ATOM 454 O PHE A 31 1.458 -4.531 0.867 1.00 0.00 O ATOM 455 CB PHE A 31 -1.266 -2.705 0.691 1.00 0.00 C ATOM 456 CG PHE A 31 -2.142 -2.213 -0.457 1.00 0.00 C ATOM 457 CD1 PHE A 31 -2.164 -2.847 -1.724 1.00 0.00 C ATOM 458 CD2 PHE A 31 -2.870 -1.021 -0.283 1.00 0.00 C ATOM 459 CE1 PHE A 31 -2.877 -2.285 -2.794 1.00 0.00 C ATOM 460 CE2 PHE A 31 -3.585 -0.465 -1.360 1.00 0.00 C ATOM 461 CZ PHE A 31 -3.586 -1.091 -2.617 1.00 0.00 C ATOM 0 H PHE A 31 -2.768 -4.522 1.363 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.560 -4.367 -0.409 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.799 -2.540 1.627 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.365 -2.092 0.725 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.626 -3.773 -1.868 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.880 -0.532 0.680 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.879 -2.775 -3.757 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.138 0.452 -1.218 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.130 -0.654 -3.441 1.00 0.00 H new ATOM 471 N LYS A 32 0.258 -4.803 2.746 1.00 0.00 N ATOM 472 CA LYS A 32 1.412 -5.161 3.571 1.00 0.00 C ATOM 473 C LYS A 32 2.123 -6.346 2.951 1.00 0.00 C ATOM 474 O LYS A 32 3.338 -6.300 2.775 1.00 0.00 O ATOM 475 CB LYS A 32 0.991 -5.477 5.014 1.00 0.00 C ATOM 476 CG LYS A 32 1.238 -4.273 5.935 1.00 0.00 C ATOM 477 CD LYS A 32 2.113 -4.694 7.117 1.00 0.00 C ATOM 478 CE LYS A 32 2.660 -3.438 7.799 1.00 0.00 C ATOM 479 NZ LYS A 32 3.457 -3.735 8.998 1.00 0.00 N ATOM 0 H LYS A 32 -0.631 -4.805 3.247 1.00 0.00 H new ATOM 0 HA LYS A 32 2.092 -4.310 3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.065 -5.747 5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.549 -6.339 5.379 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.724 -3.472 5.378 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.288 -3.879 6.296 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.532 -5.285 7.825 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.933 -5.324 6.773 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.275 -2.884 7.089 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.828 -2.789 8.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.800 -2.846 9.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.867 -4.238 9.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.269 -4.330 8.737 1.00 0.00 H new ATOM 493 N GLN A 33 1.369 -7.378 2.582 1.00 0.00 N ATOM 494 CA GLN A 33 1.933 -8.561 1.976 1.00 0.00 C ATOM 495 C GLN A 33 2.597 -8.177 0.659 1.00 0.00 C ATOM 496 O GLN A 33 3.701 -8.642 0.384 1.00 0.00 O ATOM 497 CB GLN A 33 0.830 -9.604 1.751 1.00 0.00 C ATOM 498 CG GLN A 33 1.391 -10.987 1.395 1.00 0.00 C ATOM 499 CD GLN A 33 1.814 -11.746 2.647 1.00 0.00 C ATOM 500 OE1 GLN A 33 1.001 -12.437 3.259 1.00 0.00 O ATOM 501 NE2 GLN A 33 3.042 -11.597 3.109 1.00 0.00 N ATOM 0 H GLN A 33 0.356 -7.409 2.698 1.00 0.00 H new ATOM 0 HA GLN A 33 2.684 -8.997 2.635 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.221 -9.684 2.651 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.172 -9.265 0.950 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.637 -11.561 0.855 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.245 -10.876 0.727 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.713 -11.023 2.598 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.320 -12.056 3.977 1.00 0.00 H new ATOM 510 N TYR A 34 1.945 -7.324 -0.136 1.00 0.00 N ATOM 511 CA TYR A 34 2.479 -6.905 -1.428 1.00 0.00 C ATOM 512 C TYR A 34 3.810 -6.179 -1.251 1.00 0.00 C ATOM 513 O TYR A 34 4.774 -6.420 -1.967 1.00 0.00 O ATOM 514 CB TYR A 34 1.461 -6.024 -2.171 1.00 0.00 C ATOM 515 CG TYR A 34 1.696 -5.952 -3.670 1.00 0.00 C ATOM 516 CD1 TYR A 34 2.681 -5.100 -4.210 1.00 0.00 C ATOM 517 CD2 TYR A 34 0.944 -6.778 -4.527 1.00 0.00 C ATOM 518 CE1 TYR A 34 2.930 -5.090 -5.596 1.00 0.00 C ATOM 519 CE2 TYR A 34 1.167 -6.755 -5.914 1.00 0.00 C ATOM 520 CZ TYR A 34 2.174 -5.924 -6.452 1.00 0.00 C ATOM 521 OH TYR A 34 2.383 -5.921 -7.797 1.00 0.00 O ATOM 0 H TYR A 34 1.042 -6.910 0.097 1.00 0.00 H new ATOM 0 HA TYR A 34 2.661 -7.794 -2.033 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.458 -6.409 -1.987 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.496 -5.016 -1.758 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.247 -4.452 -3.558 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.191 -7.434 -4.116 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.696 -4.447 -6.004 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.569 -7.372 -6.568 1.00 0.00 H new ATOM 0 HH TYR A 34 1.773 -6.558 -8.224 1.00 0.00 H new ATOM 531 N ALA A 35 3.899 -5.271 -0.291 1.00 0.00 N ATOM 532 CA ALA A 35 5.123 -4.517 -0.055 1.00 0.00 C ATOM 533 C ALA A 35 6.244 -5.431 0.423 1.00 0.00 C ATOM 534 O ALA A 35 7.332 -5.408 -0.150 1.00 0.00 O ATOM 535 CB ALA A 35 4.836 -3.419 0.940 1.00 0.00 C ATOM 0 H ALA A 35 3.134 -5.037 0.341 1.00 0.00 H new ATOM 0 HA ALA A 35 5.462 -4.068 -0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.746 -2.848 1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.067 -2.758 0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.487 -3.857 1.875 1.00 0.00 H new ATOM 541 N ASN A 36 5.957 -6.279 1.416 1.00 0.00 N ATOM 542 CA ASN A 36 6.916 -7.238 1.970 1.00 0.00 C ATOM 543 C ASN A 36 7.418 -8.173 0.863 1.00 0.00 C ATOM 544 O ASN A 36 8.540 -8.672 0.939 1.00 0.00 O ATOM 545 CB ASN A 36 6.300 -8.027 3.148 1.00 0.00 C ATOM 546 CG ASN A 36 6.293 -9.540 2.959 1.00 0.00 C ATOM 547 OD1 ASN A 36 7.044 -10.260 3.605 1.00 0.00 O ATOM 548 ND2 ASN A 36 5.436 -10.050 2.088 1.00 0.00 N ATOM 0 H ASN A 36 5.041 -6.318 1.862 1.00 0.00 H new ATOM 0 HA ASN A 36 7.770 -6.690 2.368 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.853 -7.789 4.057 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.275 -7.688 3.300 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.393 -11.059 1.946 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.819 -9.434 1.559 1.00 0.00 H new ATOM 555 N ASP A 37 6.595 -8.425 -0.160 1.00 0.00 N ATOM 556 CA ASP A 37 6.952 -9.276 -1.288 1.00 0.00 C ATOM 557 C ASP A 37 8.051 -8.589 -2.097 1.00 0.00 C ATOM 558 O ASP A 37 9.031 -9.216 -2.498 1.00 0.00 O ATOM 559 CB ASP A 37 5.749 -9.553 -2.185 1.00 0.00 C ATOM 560 CG ASP A 37 6.184 -10.477 -3.314 1.00 0.00 C ATOM 561 OD1 ASP A 37 6.387 -11.684 -3.049 1.00 0.00 O ATOM 562 OD2 ASP A 37 6.297 -9.999 -4.464 1.00 0.00 O ATOM 0 H ASP A 37 5.654 -8.037 -0.224 1.00 0.00 H new ATOM 0 HA ASP A 37 7.305 -10.233 -0.902 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.946 -10.013 -1.609 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.357 -8.620 -2.590 1.00 0.00 H new ATOM 567 N ASN A 38 7.899 -7.282 -2.319 1.00 0.00 N ATOM 568 CA ASN A 38 8.851 -6.455 -3.053 1.00 0.00 C ATOM 569 C ASN A 38 10.043 -6.075 -2.166 1.00 0.00 C ATOM 570 O ASN A 38 10.989 -5.476 -2.675 1.00 0.00 O ATOM 571 CB ASN A 38 8.185 -5.170 -3.576 1.00 0.00 C ATOM 572 CG ASN A 38 7.165 -5.430 -4.663 1.00 0.00 C ATOM 573 OD1 ASN A 38 7.493 -5.498 -5.844 1.00 0.00 O ATOM 574 ND2 ASN A 38 5.914 -5.572 -4.276 1.00 0.00 N ATOM 0 H ASN A 38 7.090 -6.759 -1.984 1.00 0.00 H new ATOM 0 HA ASN A 38 9.203 -7.044 -3.900 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.700 -4.656 -2.746 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.954 -4.500 -3.960 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.183 -5.744 -4.966 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.676 -5.510 -3.286 1.00 0.00 H new ATOM 581 N GLY A 39 10.017 -6.415 -0.871 1.00 0.00 N ATOM 582 CA GLY A 39 11.067 -6.120 0.096 1.00 0.00 C ATOM 583 C GLY A 39 10.997 -4.689 0.612 1.00 0.00 C ATOM 584 O GLY A 39 12.035 -4.118 0.955 1.00 0.00 O ATOM 0 H GLY A 39 9.233 -6.921 -0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.988 -6.810 0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.040 -6.290 -0.365 1.00 0.00 H new ATOM 588 N VAL A 40 9.800 -4.102 0.658 1.00 0.00 N ATOM 589 CA VAL A 40 9.557 -2.752 1.129 1.00 0.00 C ATOM 590 C VAL A 40 8.877 -2.859 2.479 1.00 0.00 C ATOM 591 O VAL A 40 7.818 -3.478 2.592 1.00 0.00 O ATOM 592 CB VAL A 40 8.630 -1.986 0.170 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.501 -0.515 0.589 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.106 -2.051 -1.274 1.00 0.00 C ATOM 0 H VAL A 40 8.949 -4.576 0.356 1.00 0.00 H new ATOM 0 HA VAL A 40 10.503 -2.213 1.190 1.00 0.00 H new ATOM 0 HB VAL A 40 7.658 -2.474 0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.840 0.004 -0.105 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.087 -0.458 1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.484 -0.045 0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.417 -1.495 -1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.102 -1.614 -1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.141 -3.091 -1.599 1.00 0.00 H new ATOM 604 N ASP A 41 9.486 -2.260 3.493 1.00 0.00 N ATOM 605 CA ASP A 41 8.934 -2.245 4.834 1.00 0.00 C ATOM 606 C ASP A 41 9.427 -0.981 5.518 1.00 0.00 C ATOM 607 O ASP A 41 10.590 -0.908 5.916 1.00 0.00 O ATOM 608 CB ASP A 41 9.311 -3.497 5.617 1.00 0.00 C ATOM 609 CG ASP A 41 8.659 -3.437 6.997 1.00 0.00 C ATOM 610 OD1 ASP A 41 7.467 -3.061 7.080 1.00 0.00 O ATOM 611 OD2 ASP A 41 9.338 -3.789 7.986 1.00 0.00 O ATOM 0 H ASP A 41 10.377 -1.771 3.406 1.00 0.00 H new ATOM 0 HA ASP A 41 7.845 -2.245 4.789 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.981 -4.388 5.083 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.394 -3.567 5.715 1.00 0.00 H new ATOM 616 N GLY A 42 8.577 0.040 5.563 1.00 0.00 N ATOM 617 CA GLY A 42 8.851 1.329 6.159 1.00 0.00 C ATOM 618 C GLY A 42 7.633 1.896 6.874 1.00 0.00 C ATOM 619 O GLY A 42 6.763 1.157 7.320 1.00 0.00 O ATOM 0 H GLY A 42 7.639 -0.018 5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.675 1.234 6.866 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.174 2.025 5.385 1.00 0.00 H new ATOM 623 N GLU A 43 7.581 3.218 7.007 1.00 0.00 N ATOM 624 CA GLU A 43 6.493 3.938 7.659 1.00 0.00 C ATOM 625 C GLU A 43 5.293 4.002 6.713 1.00 0.00 C ATOM 626 O GLU A 43 5.368 4.651 5.665 1.00 0.00 O ATOM 627 CB GLU A 43 6.949 5.340 8.091 1.00 0.00 C ATOM 628 CG GLU A 43 5.814 6.074 8.831 1.00 0.00 C ATOM 629 CD GLU A 43 6.225 7.409 9.460 1.00 0.00 C ATOM 630 OE1 GLU A 43 7.423 7.781 9.412 1.00 0.00 O ATOM 631 OE2 GLU A 43 5.353 8.073 10.064 1.00 0.00 O ATOM 0 H GLU A 43 8.314 3.834 6.655 1.00 0.00 H new ATOM 0 HA GLU A 43 6.195 3.407 8.563 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.822 5.261 8.739 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.252 5.915 7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.997 6.253 8.132 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.427 5.422 9.614 1.00 0.00 H new ATOM 638 N TRP A 44 4.210 3.318 7.087 1.00 0.00 N ATOM 639 CA TRP A 44 2.964 3.246 6.340 1.00 0.00 C ATOM 640 C TRP A 44 2.026 4.412 6.694 1.00 0.00 C ATOM 641 O TRP A 44 1.738 4.632 7.871 1.00 0.00 O ATOM 642 CB TRP A 44 2.264 1.915 6.647 1.00 0.00 C ATOM 643 CG TRP A 44 2.941 0.671 6.146 1.00 0.00 C ATOM 644 CD1 TRP A 44 4.019 0.073 6.703 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.629 -0.134 4.970 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.434 -0.986 5.923 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.594 -1.175 4.856 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.637 -0.089 3.971 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.577 -2.111 3.818 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.586 -1.034 2.940 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.557 -2.035 2.855 1.00 0.00 C ATOM 0 H TRP A 44 4.181 2.780 7.953 1.00 0.00 H new ATOM 0 HA TRP A 44 3.200 3.313 5.278 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.151 1.830 7.728 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.260 1.952 6.223 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.488 0.381 7.626 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.259 -1.555 6.115 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.896 0.696 4.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.334 -2.879 3.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.793 -0.989 2.208 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.523 -2.752 2.048 1.00 0.00 H new ATOM 662 N THR A 45 1.443 5.061 5.685 1.00 0.00 N ATOM 663 CA THR A 45 0.522 6.200 5.762 1.00 0.00 C ATOM 664 C THR A 45 -0.795 5.911 5.007 1.00 0.00 C ATOM 665 O THR A 45 -0.916 4.856 4.379 1.00 0.00 O ATOM 666 CB THR A 45 1.239 7.442 5.195 1.00 0.00 C ATOM 667 OG1 THR A 45 1.353 7.319 3.795 1.00 0.00 O ATOM 668 CG2 THR A 45 2.660 7.657 5.736 1.00 0.00 C ATOM 0 H THR A 45 1.614 4.784 4.718 1.00 0.00 H new ATOM 0 HA THR A 45 0.247 6.381 6.801 1.00 0.00 H new ATOM 0 HB THR A 45 0.628 8.291 5.503 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.699 6.430 3.572 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.090 8.551 5.285 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.623 7.779 6.819 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.278 6.794 5.489 1.00 0.00 H new ATOM 676 N TYR A 46 -1.799 6.795 5.038 1.00 0.00 N ATOM 677 CA TYR A 46 -3.077 6.631 4.346 1.00 0.00 C ATOM 678 C TYR A 46 -3.604 8.007 3.928 1.00 0.00 C ATOM 679 O TYR A 46 -3.451 8.985 4.661 1.00 0.00 O ATOM 680 CB TYR A 46 -4.090 5.905 5.255 1.00 0.00 C ATOM 681 CG TYR A 46 -5.462 5.641 4.640 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.569 4.847 3.483 1.00 0.00 C ATOM 683 CD2 TYR A 46 -6.637 6.156 5.226 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.819 4.573 2.905 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.899 5.871 4.664 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.995 5.086 3.491 1.00 0.00 C ATOM 687 OH TYR A 46 -9.200 4.816 2.910 1.00 0.00 O ATOM 0 H TYR A 46 -1.740 7.669 5.561 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.934 6.021 3.454 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.659 4.951 5.559 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.226 6.496 6.161 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.675 4.442 3.032 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.570 6.772 6.110 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.880 3.969 2.012 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.795 6.253 5.131 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.851 5.499 3.175 1.00 0.00 H new ATOM 697 N ASP A 47 -4.273 8.064 2.780 1.00 0.00 N ATOM 698 CA ASP A 47 -4.880 9.237 2.170 1.00 0.00 C ATOM 699 C ASP A 47 -6.255 8.774 1.695 1.00 0.00 C ATOM 700 O ASP A 47 -6.420 8.343 0.547 1.00 0.00 O ATOM 701 CB ASP A 47 -4.079 9.772 0.968 1.00 0.00 C ATOM 702 CG ASP A 47 -2.854 10.618 1.317 1.00 0.00 C ATOM 703 OD1 ASP A 47 -1.853 10.108 1.864 1.00 0.00 O ATOM 704 OD2 ASP A 47 -2.862 11.821 0.961 1.00 0.00 O ATOM 0 H ASP A 47 -4.414 7.228 2.212 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.919 10.054 2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.754 8.925 0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.746 10.369 0.346 1.00 0.00 H new ATOM 709 N ASP A 48 -7.257 8.838 2.572 1.00 0.00 N ATOM 710 CA ASP A 48 -8.632 8.420 2.278 1.00 0.00 C ATOM 711 C ASP A 48 -9.234 9.146 1.083 1.00 0.00 C ATOM 712 O ASP A 48 -9.993 8.573 0.296 1.00 0.00 O ATOM 713 CB ASP A 48 -9.531 8.686 3.477 1.00 0.00 C ATOM 714 CG ASP A 48 -10.858 7.942 3.319 1.00 0.00 C ATOM 715 OD1 ASP A 48 -10.893 6.784 2.839 1.00 0.00 O ATOM 716 OD2 ASP A 48 -11.906 8.530 3.650 1.00 0.00 O ATOM 0 H ASP A 48 -7.136 9.187 3.523 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.577 7.356 2.047 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.033 8.366 4.392 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.715 9.756 3.572 1.00 0.00 H new ATOM 721 N ALA A 49 -8.815 10.399 0.921 1.00 0.00 N ATOM 722 CA ALA A 49 -9.212 11.315 -0.146 1.00 0.00 C ATOM 723 C ALA A 49 -9.011 10.700 -1.536 1.00 0.00 C ATOM 724 O ALA A 49 -9.659 11.096 -2.506 1.00 0.00 O ATOM 725 CB ALA A 49 -8.341 12.561 -0.039 1.00 0.00 C ATOM 0 H ALA A 49 -8.152 10.827 1.567 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.271 11.544 -0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.615 13.265 -0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.491 13.027 0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.293 12.283 -0.150 1.00 0.00 H new ATOM 731 N THR A 50 -8.068 9.770 -1.656 1.00 0.00 N ATOM 732 CA THR A 50 -7.753 9.060 -2.889 1.00 0.00 C ATOM 733 C THR A 50 -7.582 7.558 -2.591 1.00 0.00 C ATOM 734 O THR A 50 -7.028 6.816 -3.405 1.00 0.00 O ATOM 735 CB THR A 50 -6.554 9.764 -3.555 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.191 9.174 -4.790 1.00 0.00 O ATOM 737 CG2 THR A 50 -5.340 9.815 -2.618 1.00 0.00 C ATOM 0 H THR A 50 -7.484 9.481 -0.871 1.00 0.00 H new ATOM 0 HA THR A 50 -8.561 9.097 -3.619 1.00 0.00 H new ATOM 0 HB THR A 50 -6.881 10.783 -3.762 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.342 8.207 -4.747 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.514 10.318 -3.120 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.602 10.363 -1.713 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.041 8.801 -2.354 1.00 0.00 H new ATOM 745 N LYS A 51 -8.043 7.085 -1.425 1.00 0.00 N ATOM 746 CA LYS A 51 -7.955 5.699 -0.961 1.00 0.00 C ATOM 747 C LYS A 51 -6.579 5.110 -1.255 1.00 0.00 C ATOM 748 O LYS A 51 -6.459 4.025 -1.826 1.00 0.00 O ATOM 749 CB LYS A 51 -9.104 4.884 -1.567 1.00 0.00 C ATOM 750 CG LYS A 51 -10.440 5.408 -1.045 1.00 0.00 C ATOM 751 CD LYS A 51 -11.591 4.549 -1.567 1.00 0.00 C ATOM 752 CE LYS A 51 -12.895 4.842 -0.817 1.00 0.00 C ATOM 753 NZ LYS A 51 -12.791 4.732 0.656 1.00 0.00 N ATOM 0 H LYS A 51 -8.509 7.690 -0.749 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.066 5.664 0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.076 4.952 -2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.990 3.831 -1.310 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.439 5.402 0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.579 6.443 -1.358 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.732 4.736 -2.631 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.337 3.494 -1.460 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.228 5.848 -1.071 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.664 4.154 -1.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.649 4.280 1.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.960 4.158 0.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.691 5.681 1.069 1.00 0.00 H new ATOM 767 N THR A 52 -5.538 5.861 -0.920 1.00 0.00 N ATOM 768 CA THR A 52 -4.171 5.454 -1.161 1.00 0.00 C ATOM 769 C THR A 52 -3.441 5.250 0.154 1.00 0.00 C ATOM 770 O THR A 52 -3.791 5.847 1.166 1.00 0.00 O ATOM 771 CB THR A 52 -3.512 6.520 -2.042 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.263 6.660 -3.236 1.00 0.00 O ATOM 773 CG2 THR A 52 -2.081 6.196 -2.460 1.00 0.00 C ATOM 0 H THR A 52 -5.625 6.773 -0.472 1.00 0.00 H new ATOM 0 HA THR A 52 -4.133 4.497 -1.681 1.00 0.00 H new ATOM 0 HB THR A 52 -3.487 7.426 -1.436 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.209 6.785 -3.014 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.692 7.003 -3.081 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.458 6.089 -1.572 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.069 5.265 -3.026 1.00 0.00 H new ATOM 781 N PHE A 53 -2.425 4.406 0.115 1.00 0.00 N ATOM 782 CA PHE A 53 -1.541 4.045 1.197 1.00 0.00 C ATOM 783 C PHE A 53 -0.143 4.229 0.637 1.00 0.00 C ATOM 784 O PHE A 53 0.085 3.905 -0.531 1.00 0.00 O ATOM 785 CB PHE A 53 -1.747 2.578 1.557 1.00 0.00 C ATOM 786 CG PHE A 53 -3.056 2.260 2.238 1.00 0.00 C ATOM 787 CD1 PHE A 53 -3.168 2.324 3.637 1.00 0.00 C ATOM 788 CD2 PHE A 53 -4.134 1.800 1.471 1.00 0.00 C ATOM 789 CE1 PHE A 53 -4.333 1.862 4.275 1.00 0.00 C ATOM 790 CE2 PHE A 53 -5.295 1.328 2.105 1.00 0.00 C ATOM 791 CZ PHE A 53 -5.394 1.350 3.508 1.00 0.00 C ATOM 0 H PHE A 53 -2.182 3.919 -0.747 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.717 4.643 2.091 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.676 1.984 0.646 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.931 2.262 2.208 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.357 2.729 4.224 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.072 1.808 0.393 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.412 1.900 5.351 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.114 0.947 1.513 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.282 0.975 3.994 1.00 0.00 H new ATOM 801 N THR A 54 0.795 4.702 1.445 1.00 0.00 N ATOM 802 CA THR A 54 2.156 4.903 0.994 1.00 0.00 C ATOM 803 C THR A 54 3.078 4.345 2.075 1.00 0.00 C ATOM 804 O THR A 54 2.811 4.561 3.256 1.00 0.00 O ATOM 805 CB THR A 54 2.360 6.397 0.693 1.00 0.00 C ATOM 806 OG1 THR A 54 1.381 6.878 -0.212 1.00 0.00 O ATOM 807 CG2 THR A 54 3.726 6.670 0.083 1.00 0.00 C ATOM 0 H THR A 54 0.633 4.953 2.420 1.00 0.00 H new ATOM 0 HA THR A 54 2.385 4.377 0.067 1.00 0.00 H new ATOM 0 HB THR A 54 2.275 6.911 1.651 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.534 7.831 -0.384 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.830 7.737 -0.114 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.504 6.352 0.777 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.824 6.117 -0.851 1.00 0.00 H new ATOM 815 N VAL A 55 4.134 3.625 1.704 1.00 0.00 N ATOM 816 CA VAL A 55 5.095 3.044 2.647 1.00 0.00 C ATOM 817 C VAL A 55 6.480 3.625 2.361 1.00 0.00 C ATOM 818 O VAL A 55 7.039 3.382 1.291 1.00 0.00 O ATOM 819 CB VAL A 55 5.008 1.504 2.649 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.093 0.866 1.262 1.00 0.00 C ATOM 821 CG2 VAL A 55 6.072 0.876 3.561 1.00 0.00 C ATOM 0 H VAL A 55 4.352 3.424 0.728 1.00 0.00 H new ATOM 0 HA VAL A 55 4.854 3.319 3.674 1.00 0.00 H new ATOM 0 HB VAL A 55 4.012 1.291 3.038 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.024 -0.218 1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.273 1.230 0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.043 1.130 0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.978 -0.210 3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.064 1.163 3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.930 1.229 4.583 1.00 0.00 H new ATOM 831 N THR A 56 7.007 4.427 3.287 1.00 0.00 N ATOM 832 CA THR A 56 8.311 5.078 3.177 1.00 0.00 C ATOM 833 C THR A 56 9.376 4.201 3.843 1.00 0.00 C ATOM 834 O THR A 56 9.478 4.206 5.074 1.00 0.00 O ATOM 835 CB THR A 56 8.310 6.490 3.808 1.00 0.00 C ATOM 836 OG1 THR A 56 7.003 6.973 4.084 1.00 0.00 O ATOM 837 CG2 THR A 56 9.023 7.450 2.853 1.00 0.00 C ATOM 0 H THR A 56 6.524 4.647 4.158 1.00 0.00 H new ATOM 0 HA THR A 56 8.539 5.199 2.118 1.00 0.00 H new ATOM 0 HB THR A 56 8.828 6.428 4.765 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.062 7.866 4.482 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.031 8.452 3.283 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.048 7.114 2.697 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.498 7.470 1.898 1.00 0.00 H new ATOM 845 N GLU A 57 10.091 3.391 3.057 1.00 0.00 N ATOM 846 CA GLU A 57 11.155 2.492 3.515 1.00 0.00 C ATOM 847 C GLU A 57 12.283 3.275 4.191 1.00 0.00 C ATOM 848 O GLU A 57 13.158 2.639 4.806 1.00 0.00 O ATOM 849 CB GLU A 57 11.687 1.706 2.313 1.00 0.00 C ATOM 850 CG GLU A 57 12.397 0.386 2.620 1.00 0.00 C ATOM 851 CD GLU A 57 13.684 0.217 1.781 1.00 0.00 C ATOM 852 OE1 GLU A 57 13.735 0.612 0.588 1.00 0.00 O ATOM 853 OE2 GLU A 57 14.685 -0.281 2.350 1.00 0.00 O ATOM 0 H GLU A 57 9.940 3.341 2.049 1.00 0.00 H new ATOM 0 HA GLU A 57 10.750 1.802 4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.851 1.496 1.646 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.379 2.346 1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.647 0.346 3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.721 -0.445 2.420 1.00 0.00 H new TER 860 GLU A 57