USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 613 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 Single : A 1 GLY N :NH3+ 180:sc= -0.0724 (180deg=-0.0724) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.00076) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 75:sc= 0.942 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 177:sc= 1.09 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= 0.00411 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 100:sc= 0.696 USER MOD Single : A 57 ASN : amide:sc= 0.999 K(o=1,f=0) USER MOD Single : A 58 GLN : amide:sc= 0.829 K(o=0.83,f=-0.061) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc=-0.00596 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0872 X(o=-0.087,f=-0.087) USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0109 USER MOD Single : A 81 HIS : no HE2:sc= 0.322 K(o=0.32,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.675 18.221 -6.866 1.00 1.00 N ATOM 2 CA GLY A 1 19.335 16.887 -7.371 1.00 1.00 C ATOM 3 C GLY A 1 18.354 16.096 -6.494 1.00 1.00 C ATOM 4 O GLY A 1 17.956 14.988 -6.861 1.00 1.00 O ATOM 0 H1 GLY A 1 20.341 18.680 -7.520 1.00 1.00 H new ATOM 0 H2 GLY A 1 18.811 18.795 -6.792 1.00 1.00 H new ATOM 0 H3 GLY A 1 20.115 18.135 -5.928 1.00 1.00 H new ATOM 0 HA2 GLY A 1 18.907 16.990 -8.368 1.00 1.00 H new ATOM 0 HA3 GLY A 1 20.253 16.309 -7.476 1.00 1.00 H new ATOM 8 N SER A 2 17.941 16.649 -5.349 1.00 1.00 N ATOM 9 CA SER A 2 17.080 15.989 -4.349 1.00 1.00 C ATOM 10 C SER A 2 15.749 15.467 -4.905 1.00 1.00 C ATOM 11 O SER A 2 15.262 14.433 -4.449 1.00 1.00 O ATOM 12 CB SER A 2 16.793 16.941 -3.180 1.00 1.00 C ATOM 13 OG SER A 2 18.007 17.414 -2.613 1.00 1.00 O ATOM 0 H SER A 2 18.202 17.598 -5.080 1.00 1.00 H new ATOM 0 HA SER A 2 17.644 15.118 -4.016 1.00 1.00 H new ATOM 0 HB2 SER A 2 16.195 17.783 -3.528 1.00 1.00 H new ATOM 0 HB3 SER A 2 16.206 16.426 -2.420 1.00 1.00 H new ATOM 0 HG SER A 2 17.806 18.021 -1.870 1.00 1.00 H new ATOM 19 N HIS A 3 15.183 16.114 -5.930 1.00 1.00 N ATOM 20 CA HIS A 3 13.961 15.653 -6.601 1.00 1.00 C ATOM 21 C HIS A 3 14.111 14.253 -7.230 1.00 1.00 C ATOM 22 O HIS A 3 13.169 13.460 -7.208 1.00 1.00 O ATOM 23 CB HIS A 3 13.543 16.692 -7.652 1.00 1.00 C ATOM 24 CG HIS A 3 12.191 16.409 -8.260 1.00 1.00 C ATOM 25 ND1 HIS A 3 11.940 15.688 -9.407 1.00 1.00 N ATOM 26 CD2 HIS A 3 10.978 16.798 -7.757 1.00 1.00 C ATOM 27 CE1 HIS A 3 10.610 15.636 -9.589 1.00 1.00 C ATOM 28 NE2 HIS A 3 9.977 16.308 -8.609 1.00 1.00 N ATOM 0 H HIS A 3 15.562 16.977 -6.320 1.00 1.00 H new ATOM 0 HA HIS A 3 13.180 15.555 -5.847 1.00 1.00 H new ATOM 0 HB2 HIS A 3 13.528 17.680 -7.192 1.00 1.00 H new ATOM 0 HB3 HIS A 3 14.292 16.721 -8.444 1.00 1.00 H new ATOM 0 HD2 HIS A 3 10.820 17.380 -6.861 1.00 1.00 H new ATOM 0 HE1 HIS A 3 10.119 15.128 -10.405 1.00 1.00 H new ATOM 0 HE2 HIS A 3 8.970 16.435 -8.506 1.00 1.00 H new ATOM 36 N MET A 4 15.299 13.906 -7.744 1.00 1.00 N ATOM 37 CA MET A 4 15.591 12.564 -8.267 1.00 1.00 C ATOM 38 C MET A 4 15.698 11.521 -7.143 1.00 1.00 C ATOM 39 O MET A 4 15.232 10.393 -7.302 1.00 1.00 O ATOM 40 CB MET A 4 16.880 12.609 -9.107 1.00 1.00 C ATOM 41 CG MET A 4 17.171 11.289 -9.832 1.00 1.00 C ATOM 42 SD MET A 4 15.896 10.759 -11.012 1.00 1.00 S ATOM 43 CE MET A 4 16.602 9.168 -11.522 1.00 1.00 C ATOM 0 H MET A 4 16.087 14.550 -7.809 1.00 1.00 H new ATOM 0 HA MET A 4 14.761 12.255 -8.902 1.00 1.00 H new ATOM 0 HB2 MET A 4 16.800 13.410 -9.842 1.00 1.00 H new ATOM 0 HB3 MET A 4 17.721 12.854 -8.458 1.00 1.00 H new ATOM 0 HG2 MET A 4 18.118 11.386 -10.363 1.00 1.00 H new ATOM 0 HG3 MET A 4 17.302 10.505 -9.087 1.00 1.00 H new ATOM 0 HE1 MET A 4 15.945 8.696 -12.253 1.00 1.00 H new ATOM 0 HE2 MET A 4 17.583 9.332 -11.968 1.00 1.00 H new ATOM 0 HE3 MET A 4 16.703 8.519 -10.652 1.00 1.00 H new ATOM 53 N LEU A 5 16.257 11.895 -5.986 1.00 1.00 N ATOM 54 CA LEU A 5 16.315 11.029 -4.799 1.00 1.00 C ATOM 55 C LEU A 5 14.909 10.760 -4.232 1.00 1.00 C ATOM 56 O LEU A 5 14.577 9.620 -3.906 1.00 1.00 O ATOM 57 CB LEU A 5 17.231 11.651 -3.728 1.00 1.00 C ATOM 58 CG LEU A 5 18.680 11.906 -4.183 1.00 1.00 C ATOM 59 CD1 LEU A 5 19.467 12.571 -3.053 1.00 1.00 C ATOM 60 CD2 LEU A 5 19.410 10.621 -4.581 1.00 1.00 C ATOM 0 H LEU A 5 16.684 12.810 -5.845 1.00 1.00 H new ATOM 0 HA LEU A 5 16.735 10.069 -5.100 1.00 1.00 H new ATOM 0 HB2 LEU A 5 16.796 12.596 -3.403 1.00 1.00 H new ATOM 0 HB3 LEU A 5 17.249 10.993 -2.859 1.00 1.00 H new ATOM 0 HG LEU A 5 18.623 12.551 -5.059 1.00 1.00 H new ATOM 0 HD11 LEU A 5 20.492 12.750 -3.379 1.00 1.00 H new ATOM 0 HD12 LEU A 5 18.998 13.520 -2.793 1.00 1.00 H new ATOM 0 HD13 LEU A 5 19.473 11.918 -2.180 1.00 1.00 H new ATOM 0 HD21 LEU A 5 20.426 10.862 -4.893 1.00 1.00 H new ATOM 0 HD22 LEU A 5 19.443 9.942 -3.729 1.00 1.00 H new ATOM 0 HD23 LEU A 5 18.881 10.143 -5.405 1.00 1.00 H new ATOM 72 N GLU A 6 14.054 11.785 -4.183 1.00 1.00 N ATOM 73 CA GLU A 6 12.636 11.655 -3.822 1.00 1.00 C ATOM 74 C GLU A 6 11.861 10.792 -4.831 1.00 1.00 C ATOM 75 O GLU A 6 11.106 9.907 -4.427 1.00 1.00 O ATOM 76 CB GLU A 6 11.993 13.048 -3.710 1.00 1.00 C ATOM 77 CG GLU A 6 12.493 13.829 -2.487 1.00 1.00 C ATOM 78 CD GLU A 6 11.948 15.263 -2.492 1.00 1.00 C ATOM 79 OE1 GLU A 6 12.590 16.137 -3.126 1.00 1.00 O ATOM 80 OE2 GLU A 6 10.886 15.492 -1.865 1.00 1.00 O ATOM 0 H GLU A 6 14.330 12.744 -4.396 1.00 1.00 H new ATOM 0 HA GLU A 6 12.586 11.151 -2.857 1.00 1.00 H new ATOM 0 HB2 GLU A 6 12.208 13.618 -4.614 1.00 1.00 H new ATOM 0 HB3 GLU A 6 10.910 12.941 -3.651 1.00 1.00 H new ATOM 0 HG2 GLU A 6 12.182 13.321 -1.574 1.00 1.00 H new ATOM 0 HG3 GLU A 6 13.583 13.850 -2.485 1.00 1.00 H new ATOM 87 N SER A 7 12.095 10.977 -6.135 1.00 1.00 N ATOM 88 CA SER A 7 11.512 10.129 -7.188 1.00 1.00 C ATOM 89 C SER A 7 11.938 8.664 -7.040 1.00 1.00 C ATOM 90 O SER A 7 11.105 7.765 -7.145 1.00 1.00 O ATOM 91 CB SER A 7 11.897 10.630 -8.586 1.00 1.00 C ATOM 92 OG SER A 7 11.408 11.943 -8.815 1.00 1.00 O ATOM 0 H SER A 7 12.695 11.720 -6.494 1.00 1.00 H new ATOM 0 HA SER A 7 10.430 10.191 -7.072 1.00 1.00 H new ATOM 0 HB2 SER A 7 12.982 10.620 -8.693 1.00 1.00 H new ATOM 0 HB3 SER A 7 11.496 9.953 -9.341 1.00 1.00 H new ATOM 0 HG SER A 7 11.952 12.587 -8.315 1.00 1.00 H new ATOM 98 N SER A 8 13.212 8.409 -6.722 1.00 1.00 N ATOM 99 CA SER A 8 13.740 7.063 -6.460 1.00 1.00 C ATOM 100 C SER A 8 13.090 6.415 -5.229 1.00 1.00 C ATOM 101 O SER A 8 12.694 5.249 -5.278 1.00 1.00 O ATOM 102 CB SER A 8 15.264 7.133 -6.299 1.00 1.00 C ATOM 103 OG SER A 8 15.819 5.830 -6.218 1.00 1.00 O ATOM 0 H SER A 8 13.917 9.142 -6.638 1.00 1.00 H new ATOM 0 HA SER A 8 13.493 6.431 -7.313 1.00 1.00 H new ATOM 0 HB2 SER A 8 15.700 7.668 -7.143 1.00 1.00 H new ATOM 0 HB3 SER A 8 15.514 7.697 -5.401 1.00 1.00 H new ATOM 0 HG SER A 8 16.792 5.894 -6.117 1.00 1.00 H new ATOM 109 N ALA A 9 12.894 7.175 -4.144 1.00 1.00 N ATOM 110 CA ALA A 9 12.178 6.712 -2.954 1.00 1.00 C ATOM 111 C ALA A 9 10.694 6.398 -3.236 1.00 1.00 C ATOM 112 O ALA A 9 10.181 5.379 -2.773 1.00 1.00 O ATOM 113 CB ALA A 9 12.331 7.762 -1.847 1.00 1.00 C ATOM 0 H ALA A 9 13.231 8.135 -4.069 1.00 1.00 H new ATOM 0 HA ALA A 9 12.619 5.769 -2.630 1.00 1.00 H new ATOM 0 HB1 ALA A 9 11.802 7.429 -0.954 1.00 1.00 H new ATOM 0 HB2 ALA A 9 13.388 7.894 -1.614 1.00 1.00 H new ATOM 0 HB3 ALA A 9 11.912 8.710 -2.184 1.00 1.00 H new ATOM 119 N GLU A 10 10.006 7.223 -4.031 1.00 1.00 N ATOM 120 CA GLU A 10 8.619 6.975 -4.459 1.00 1.00 C ATOM 121 C GLU A 10 8.491 5.757 -5.392 1.00 1.00 C ATOM 122 O GLU A 10 7.553 4.972 -5.255 1.00 1.00 O ATOM 123 CB GLU A 10 8.045 8.228 -5.139 1.00 1.00 C ATOM 124 CG GLU A 10 7.739 9.343 -4.130 1.00 1.00 C ATOM 125 CD GLU A 10 7.265 10.615 -4.845 1.00 1.00 C ATOM 126 OE1 GLU A 10 6.053 10.694 -5.160 1.00 1.00 O ATOM 127 OE2 GLU A 10 8.106 11.516 -5.078 1.00 1.00 O ATOM 0 H GLU A 10 10.396 8.090 -4.401 1.00 1.00 H new ATOM 0 HA GLU A 10 8.044 6.747 -3.561 1.00 1.00 H new ATOM 0 HB2 GLU A 10 8.755 8.595 -5.880 1.00 1.00 H new ATOM 0 HB3 GLU A 10 7.133 7.964 -5.674 1.00 1.00 H new ATOM 0 HG2 GLU A 10 6.972 9.007 -3.432 1.00 1.00 H new ATOM 0 HG3 GLU A 10 8.631 9.562 -3.543 1.00 1.00 H new ATOM 134 N GLU A 11 9.443 5.542 -6.303 1.00 1.00 N ATOM 135 CA GLU A 11 9.501 4.331 -7.134 1.00 1.00 C ATOM 136 C GLU A 11 9.809 3.070 -6.310 1.00 1.00 C ATOM 137 O GLU A 11 9.234 2.009 -6.564 1.00 1.00 O ATOM 138 CB GLU A 11 10.544 4.504 -8.252 1.00 1.00 C ATOM 139 CG GLU A 11 10.061 5.456 -9.354 1.00 1.00 C ATOM 140 CD GLU A 11 11.177 5.729 -10.371 1.00 1.00 C ATOM 141 OE1 GLU A 11 11.312 4.924 -11.324 1.00 1.00 O ATOM 142 OE2 GLU A 11 11.902 6.740 -10.205 1.00 1.00 O ATOM 0 H GLU A 11 10.198 6.202 -6.488 1.00 1.00 H new ATOM 0 HA GLU A 11 8.514 4.194 -7.575 1.00 1.00 H new ATOM 0 HB2 GLU A 11 11.471 4.886 -7.825 1.00 1.00 H new ATOM 0 HB3 GLU A 11 10.771 3.531 -8.688 1.00 1.00 H new ATOM 0 HG2 GLU A 11 9.199 5.023 -9.862 1.00 1.00 H new ATOM 0 HG3 GLU A 11 9.731 6.395 -8.910 1.00 1.00 H new ATOM 149 N SER A 12 10.651 3.182 -5.277 1.00 1.00 N ATOM 150 CA SER A 12 10.881 2.102 -4.311 1.00 1.00 C ATOM 151 C SER A 12 9.611 1.784 -3.515 1.00 1.00 C ATOM 152 O SER A 12 9.252 0.616 -3.365 1.00 1.00 O ATOM 153 CB SER A 12 12.041 2.468 -3.379 1.00 1.00 C ATOM 154 OG SER A 12 12.373 1.375 -2.538 1.00 1.00 O ATOM 0 H SER A 12 11.193 4.025 -5.087 1.00 1.00 H new ATOM 0 HA SER A 12 11.150 1.201 -4.862 1.00 1.00 H new ATOM 0 HB2 SER A 12 12.911 2.756 -3.969 1.00 1.00 H new ATOM 0 HB3 SER A 12 11.768 3.331 -2.771 1.00 1.00 H new ATOM 0 HG SER A 12 13.116 1.628 -1.952 1.00 1.00 H new ATOM 160 N LEU A 13 8.857 2.806 -3.093 1.00 1.00 N ATOM 161 CA LEU A 13 7.561 2.629 -2.430 1.00 1.00 C ATOM 162 C LEU A 13 6.560 1.928 -3.354 1.00 1.00 C ATOM 163 O LEU A 13 5.904 0.982 -2.925 1.00 1.00 O ATOM 164 CB LEU A 13 7.068 3.999 -1.923 1.00 1.00 C ATOM 165 CG LEU A 13 5.808 3.967 -1.032 1.00 1.00 C ATOM 166 CD1 LEU A 13 5.725 5.275 -0.242 1.00 1.00 C ATOM 167 CD2 LEU A 13 4.498 3.843 -1.819 1.00 1.00 C ATOM 0 H LEU A 13 9.130 3.783 -3.203 1.00 1.00 H new ATOM 0 HA LEU A 13 7.667 1.973 -1.566 1.00 1.00 H new ATOM 0 HB2 LEU A 13 7.875 4.471 -1.363 1.00 1.00 H new ATOM 0 HB3 LEU A 13 6.865 4.634 -2.785 1.00 1.00 H new ATOM 0 HG LEU A 13 5.910 3.087 -0.396 1.00 1.00 H new ATOM 0 HD11 LEU A 13 4.838 5.262 0.391 1.00 1.00 H new ATOM 0 HD12 LEU A 13 6.613 5.381 0.381 1.00 1.00 H new ATOM 0 HD13 LEU A 13 5.665 6.115 -0.934 1.00 1.00 H new ATOM 0 HD21 LEU A 13 3.657 3.827 -1.126 1.00 1.00 H new ATOM 0 HD22 LEU A 13 4.396 4.694 -2.493 1.00 1.00 H new ATOM 0 HD23 LEU A 13 4.508 2.920 -2.399 1.00 1.00 H new ATOM 179 N ALA A 14 6.481 2.318 -4.629 1.00 1.00 N ATOM 180 CA ALA A 14 5.627 1.656 -5.615 1.00 1.00 C ATOM 181 C ALA A 14 5.993 0.169 -5.812 1.00 1.00 C ATOM 182 O ALA A 14 5.105 -0.673 -5.949 1.00 1.00 O ATOM 183 CB ALA A 14 5.687 2.439 -6.932 1.00 1.00 C ATOM 0 H ALA A 14 7.010 3.104 -5.006 1.00 1.00 H new ATOM 0 HA ALA A 14 4.603 1.656 -5.243 1.00 1.00 H new ATOM 0 HB1 ALA A 14 5.053 1.953 -7.674 1.00 1.00 H new ATOM 0 HB2 ALA A 14 5.336 3.457 -6.766 1.00 1.00 H new ATOM 0 HB3 ALA A 14 6.715 2.464 -7.294 1.00 1.00 H new ATOM 189 N TYR A 15 7.285 -0.173 -5.767 1.00 1.00 N ATOM 190 CA TYR A 15 7.757 -1.562 -5.800 1.00 1.00 C ATOM 191 C TYR A 15 7.366 -2.348 -4.533 1.00 1.00 C ATOM 192 O TYR A 15 6.852 -3.465 -4.638 1.00 1.00 O ATOM 193 CB TYR A 15 9.275 -1.587 -6.029 1.00 1.00 C ATOM 194 CG TYR A 15 9.828 -2.991 -6.175 1.00 1.00 C ATOM 195 CD1 TYR A 15 9.584 -3.715 -7.358 1.00 1.00 C ATOM 196 CD2 TYR A 15 10.548 -3.586 -5.121 1.00 1.00 C ATOM 197 CE1 TYR A 15 10.054 -5.035 -7.486 1.00 1.00 C ATOM 198 CE2 TYR A 15 11.025 -4.905 -5.247 1.00 1.00 C ATOM 199 CZ TYR A 15 10.777 -5.635 -6.433 1.00 1.00 C ATOM 200 OH TYR A 15 11.230 -6.913 -6.565 1.00 1.00 O ATOM 0 H TYR A 15 8.039 0.512 -5.706 1.00 1.00 H new ATOM 0 HA TYR A 15 7.263 -2.065 -6.631 1.00 1.00 H new ATOM 0 HB2 TYR A 15 9.511 -1.014 -6.926 1.00 1.00 H new ATOM 0 HB3 TYR A 15 9.771 -1.092 -5.194 1.00 1.00 H new ATOM 0 HD1 TYR A 15 9.036 -3.257 -8.168 1.00 1.00 H new ATOM 0 HD2 TYR A 15 10.735 -3.030 -4.214 1.00 1.00 H new ATOM 0 HE1 TYR A 15 9.861 -5.590 -8.392 1.00 1.00 H new ATOM 0 HE2 TYR A 15 11.580 -5.359 -4.439 1.00 1.00 H new ATOM 0 HH TYR A 15 11.709 -7.176 -5.752 1.00 1.00 H new ATOM 210 N ARG A 16 7.528 -1.757 -3.337 1.00 1.00 N ATOM 211 CA ARG A 16 7.046 -2.341 -2.067 1.00 1.00 C ATOM 212 C ARG A 16 5.529 -2.528 -2.053 1.00 1.00 C ATOM 213 O ARG A 16 5.043 -3.539 -1.556 1.00 1.00 O ATOM 214 CB ARG A 16 7.460 -1.483 -0.859 1.00 1.00 C ATOM 215 CG ARG A 16 8.980 -1.434 -0.628 1.00 1.00 C ATOM 216 CD ARG A 16 9.347 -0.803 0.723 1.00 1.00 C ATOM 217 NE ARG A 16 8.716 0.510 0.956 1.00 1.00 N ATOM 218 CZ ARG A 16 9.219 1.698 0.659 1.00 1.00 C ATOM 219 NH1 ARG A 16 10.318 1.860 -0.028 1.00 1.00 N ATOM 220 NH2 ARG A 16 8.605 2.781 1.052 1.00 1.00 N ATOM 0 H ARG A 16 7.997 -0.859 -3.220 1.00 1.00 H new ATOM 0 HA ARG A 16 7.515 -3.322 -1.991 1.00 1.00 H new ATOM 0 HB2 ARG A 16 7.090 -0.468 -1.002 1.00 1.00 H new ATOM 0 HB3 ARG A 16 6.978 -1.875 0.036 1.00 1.00 H new ATOM 0 HG2 ARG A 16 9.385 -2.445 -0.676 1.00 1.00 H new ATOM 0 HG3 ARG A 16 9.449 -0.865 -1.431 1.00 1.00 H new ATOM 0 HD2 ARG A 16 9.055 -1.483 1.523 1.00 1.00 H new ATOM 0 HD3 ARG A 16 10.430 -0.691 0.779 1.00 1.00 H new ATOM 0 HE ARG A 16 7.794 0.502 1.392 1.00 1.00 H new ATOM 0 HH11 ARG A 16 10.834 1.047 -0.364 1.00 1.00 H new ATOM 0 HH12 ARG A 16 10.660 2.800 -0.228 1.00 1.00 H new ATOM 0 HH21 ARG A 16 7.739 2.711 1.587 1.00 1.00 H new ATOM 0 HH22 ARG A 16 8.991 3.697 0.824 1.00 1.00 H new ATOM 234 N GLU A 17 4.780 -1.583 -2.618 1.00 1.00 N ATOM 235 CA GLU A 17 3.324 -1.664 -2.752 1.00 1.00 C ATOM 236 C GLU A 17 2.905 -2.777 -3.720 1.00 1.00 C ATOM 237 O GLU A 17 2.012 -3.550 -3.393 1.00 1.00 O ATOM 238 CB GLU A 17 2.772 -0.292 -3.170 1.00 1.00 C ATOM 239 CG GLU A 17 1.245 -0.222 -3.076 1.00 1.00 C ATOM 240 CD GLU A 17 0.750 1.192 -3.392 1.00 1.00 C ATOM 241 OE1 GLU A 17 0.662 1.535 -4.595 1.00 1.00 O ATOM 242 OE2 GLU A 17 0.460 1.941 -2.432 1.00 1.00 O ATOM 0 H GLU A 17 5.173 -0.724 -3.003 1.00 1.00 H new ATOM 0 HA GLU A 17 2.893 -1.928 -1.786 1.00 1.00 H new ATOM 0 HB2 GLU A 17 3.208 0.480 -2.536 1.00 1.00 H new ATOM 0 HB3 GLU A 17 3.080 -0.076 -4.193 1.00 1.00 H new ATOM 0 HG2 GLU A 17 0.799 -0.933 -3.772 1.00 1.00 H new ATOM 0 HG3 GLU A 17 0.923 -0.511 -2.075 1.00 1.00 H new ATOM 249 N ASP A 18 3.574 -2.939 -4.864 1.00 1.00 N ATOM 250 CA ASP A 18 3.311 -4.050 -5.788 1.00 1.00 C ATOM 251 C ASP A 18 3.646 -5.433 -5.197 1.00 1.00 C ATOM 252 O ASP A 18 3.005 -6.418 -5.558 1.00 1.00 O ATOM 253 CB ASP A 18 4.060 -3.813 -7.104 1.00 1.00 C ATOM 254 CG ASP A 18 3.607 -4.801 -8.182 1.00 1.00 C ATOM 255 OD1 ASP A 18 2.400 -4.768 -8.520 1.00 1.00 O ATOM 256 OD2 ASP A 18 4.461 -5.577 -8.672 1.00 1.00 O ATOM 0 H ASP A 18 4.311 -2.307 -5.177 1.00 1.00 H new ATOM 0 HA ASP A 18 2.237 -4.066 -5.975 1.00 1.00 H new ATOM 0 HB2 ASP A 18 3.887 -2.793 -7.446 1.00 1.00 H new ATOM 0 HB3 ASP A 18 5.133 -3.916 -6.939 1.00 1.00 H new ATOM 261 N ASP A 19 4.585 -5.535 -4.248 1.00 1.00 N ATOM 262 CA ASP A 19 4.811 -6.771 -3.482 1.00 1.00 C ATOM 263 C ASP A 19 3.578 -7.192 -2.653 1.00 1.00 C ATOM 264 O ASP A 19 3.341 -8.387 -2.456 1.00 1.00 O ATOM 265 CB ASP A 19 6.061 -6.643 -2.600 1.00 1.00 C ATOM 266 CG ASP A 19 6.432 -7.982 -1.954 1.00 1.00 C ATOM 267 OD1 ASP A 19 6.999 -8.841 -2.671 1.00 1.00 O ATOM 268 OD2 ASP A 19 6.155 -8.147 -0.742 1.00 1.00 O ATOM 0 H ASP A 19 5.207 -4.769 -3.989 1.00 1.00 H new ATOM 0 HA ASP A 19 4.980 -7.568 -4.206 1.00 1.00 H new ATOM 0 HB2 ASP A 19 6.896 -6.284 -3.201 1.00 1.00 H new ATOM 0 HB3 ASP A 19 5.885 -5.899 -1.823 1.00 1.00 H new ATOM 273 N LEU A 20 2.761 -6.231 -2.199 1.00 1.00 N ATOM 274 CA LEU A 20 1.498 -6.495 -1.491 1.00 1.00 C ATOM 275 C LEU A 20 0.463 -7.239 -2.365 1.00 1.00 C ATOM 276 O LEU A 20 -0.484 -7.811 -1.828 1.00 1.00 O ATOM 277 CB LEU A 20 0.891 -5.200 -0.912 1.00 1.00 C ATOM 278 CG LEU A 20 1.859 -4.259 -0.171 1.00 1.00 C ATOM 279 CD1 LEU A 20 1.119 -3.013 0.319 1.00 1.00 C ATOM 280 CD2 LEU A 20 2.571 -4.911 1.014 1.00 1.00 C ATOM 0 H LEU A 20 2.960 -5.237 -2.314 1.00 1.00 H new ATOM 0 HA LEU A 20 1.751 -7.158 -0.663 1.00 1.00 H new ATOM 0 HB2 LEU A 20 0.432 -4.643 -1.729 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.091 -5.476 -0.225 1.00 1.00 H new ATOM 0 HG LEU A 20 2.625 -3.994 -0.899 1.00 1.00 H new ATOM 0 HD11 LEU A 20 1.816 -2.357 0.841 1.00 1.00 H new ATOM 0 HD12 LEU A 20 0.693 -2.484 -0.533 1.00 1.00 H new ATOM 0 HD13 LEU A 20 0.320 -3.308 0.999 1.00 1.00 H new ATOM 0 HD21 LEU A 20 3.235 -4.185 1.484 1.00 1.00 H new ATOM 0 HD22 LEU A 20 1.832 -5.251 1.740 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.154 -5.763 0.664 1.00 1.00 H new ATOM 292 N ARG A 21 0.656 -7.304 -3.695 1.00 1.00 N ATOM 293 CA ARG A 21 -0.143 -8.139 -4.624 1.00 1.00 C ATOM 294 C ARG A 21 -0.028 -9.653 -4.348 1.00 1.00 C ATOM 295 O ARG A 21 -0.796 -10.443 -4.891 1.00 1.00 O ATOM 296 CB ARG A 21 0.252 -7.812 -6.078 1.00 1.00 C ATOM 297 CG ARG A 21 -0.876 -8.090 -7.084 1.00 1.00 C ATOM 298 CD ARG A 21 -0.382 -8.117 -8.535 1.00 1.00 C ATOM 299 NE ARG A 21 0.053 -6.789 -9.004 1.00 1.00 N ATOM 300 CZ ARG A 21 -0.203 -6.246 -10.182 1.00 1.00 C ATOM 301 NH1 ARG A 21 -0.883 -6.857 -11.115 1.00 1.00 N ATOM 302 NH2 ARG A 21 0.224 -5.045 -10.448 1.00 1.00 N ATOM 0 H ARG A 21 1.385 -6.769 -4.168 1.00 1.00 H new ATOM 0 HA ARG A 21 -1.191 -7.891 -4.458 1.00 1.00 H new ATOM 0 HB2 ARG A 21 0.539 -6.763 -6.143 1.00 1.00 H new ATOM 0 HB3 ARG A 21 1.128 -8.400 -6.352 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -1.342 -9.046 -6.846 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -1.646 -7.325 -6.981 1.00 1.00 H new ATOM 0 HD2 ARG A 21 0.447 -8.819 -8.621 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -1.179 -8.484 -9.181 1.00 1.00 H new ATOM 0 HE ARG A 21 0.608 -6.232 -8.354 1.00 1.00 H new ATOM 0 HH11 ARG A 21 -1.243 -7.797 -10.951 1.00 1.00 H new ATOM 0 HH12 ARG A 21 -1.054 -6.394 -12.008 1.00 1.00 H new ATOM 0 HH21 ARG A 21 0.754 -4.526 -9.748 1.00 1.00 H new ATOM 0 HH22 ARG A 21 0.028 -4.624 -11.356 1.00 1.00 H new ATOM 316 N GLY A 22 0.906 -10.070 -3.489 1.00 1.00 N ATOM 317 CA GLY A 22 1.022 -11.441 -2.977 1.00 1.00 C ATOM 318 C GLY A 22 0.510 -11.612 -1.541 1.00 1.00 C ATOM 319 O GLY A 22 0.882 -12.588 -0.884 1.00 1.00 O ATOM 0 H GLY A 22 1.623 -9.446 -3.119 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.467 -12.112 -3.633 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.067 -11.747 -3.019 1.00 1.00 H new ATOM 323 N ARG A 23 -0.302 -10.671 -1.029 1.00 1.00 N ATOM 324 CA ARG A 23 -0.716 -10.594 0.385 1.00 1.00 C ATOM 325 C ARG A 23 -2.227 -10.411 0.574 1.00 1.00 C ATOM 326 O ARG A 23 -2.957 -9.955 -0.309 1.00 1.00 O ATOM 327 CB ARG A 23 0.042 -9.466 1.103 1.00 1.00 C ATOM 328 CG ARG A 23 1.569 -9.583 0.989 1.00 1.00 C ATOM 329 CD ARG A 23 2.204 -8.590 1.960 1.00 1.00 C ATOM 330 NE ARG A 23 3.642 -8.406 1.696 1.00 1.00 N ATOM 331 CZ ARG A 23 4.510 -7.811 2.499 1.00 1.00 C ATOM 332 NH1 ARG A 23 4.190 -7.367 3.687 1.00 1.00 N ATOM 333 NH2 ARG A 23 5.743 -7.643 2.114 1.00 1.00 N ATOM 0 H ARG A 23 -0.699 -9.924 -1.600 1.00 1.00 H new ATOM 0 HA ARG A 23 -0.462 -11.557 0.828 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -0.273 -8.508 0.690 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -0.237 -9.466 2.157 1.00 1.00 H new ATOM 0 HG2 ARG A 23 1.890 -10.598 1.222 1.00 1.00 H new ATOM 0 HG3 ARG A 23 1.890 -9.373 -0.031 1.00 1.00 H new ATOM 0 HD2 ARG A 23 1.695 -7.629 1.882 1.00 1.00 H new ATOM 0 HD3 ARG A 23 2.065 -8.942 2.982 1.00 1.00 H new ATOM 0 HE ARG A 23 4.001 -8.770 0.814 1.00 1.00 H new ATOM 0 HH11 ARG A 23 3.236 -7.473 4.031 1.00 1.00 H new ATOM 0 HH12 ARG A 23 4.895 -6.915 4.269 1.00 1.00 H new ATOM 0 HH21 ARG A 23 6.039 -7.970 1.194 1.00 1.00 H new ATOM 0 HH22 ARG A 23 6.412 -7.185 2.732 1.00 1.00 H new ATOM 347 N LEU A 24 -2.668 -10.761 1.778 1.00 1.00 N ATOM 348 CA LEU A 24 -4.050 -10.714 2.258 1.00 1.00 C ATOM 349 C LEU A 24 -4.269 -9.426 3.075 1.00 1.00 C ATOM 350 O LEU A 24 -3.356 -8.928 3.736 1.00 1.00 O ATOM 351 CB LEU A 24 -4.246 -11.984 3.115 1.00 1.00 C ATOM 352 CG LEU A 24 -5.699 -12.446 3.316 1.00 1.00 C ATOM 353 CD1 LEU A 24 -6.262 -13.090 2.046 1.00 1.00 C ATOM 354 CD2 LEU A 24 -5.742 -13.512 4.412 1.00 1.00 C ATOM 0 H LEU A 24 -2.029 -11.108 2.494 1.00 1.00 H new ATOM 0 HA LEU A 24 -4.775 -10.694 1.445 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -3.687 -12.799 2.654 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -3.803 -11.808 4.095 1.00 1.00 H new ATOM 0 HG LEU A 24 -6.289 -11.568 3.578 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -7.290 -13.405 2.223 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -6.239 -12.367 1.231 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -5.658 -13.957 1.779 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -6.770 -13.843 4.558 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -5.126 -14.362 4.117 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -5.360 -13.092 5.343 1.00 1.00 H new ATOM 366 N GLY A 25 -5.488 -8.900 3.048 1.00 1.00 N ATOM 367 CA GLY A 25 -5.894 -7.632 3.650 1.00 1.00 C ATOM 368 C GLY A 25 -7.293 -7.656 4.272 1.00 1.00 C ATOM 369 O GLY A 25 -7.953 -8.695 4.343 1.00 1.00 O ATOM 0 H GLY A 25 -6.263 -9.371 2.581 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -5.171 -7.359 4.418 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -5.860 -6.853 2.888 1.00 1.00 H new ATOM 373 N LYS A 26 -7.738 -6.485 4.729 1.00 1.00 N ATOM 374 CA LYS A 26 -8.932 -6.249 5.544 1.00 1.00 C ATOM 375 C LYS A 26 -9.564 -4.914 5.157 1.00 1.00 C ATOM 376 O LYS A 26 -8.923 -3.871 5.280 1.00 1.00 O ATOM 377 CB LYS A 26 -8.473 -6.276 7.011 1.00 1.00 C ATOM 378 CG LYS A 26 -9.558 -5.986 8.059 1.00 1.00 C ATOM 379 CD LYS A 26 -10.813 -6.867 7.953 1.00 1.00 C ATOM 380 CE LYS A 26 -10.535 -8.379 7.866 1.00 1.00 C ATOM 381 NZ LYS A 26 -9.793 -8.882 9.040 1.00 1.00 N ATOM 0 H LYS A 26 -7.241 -5.618 4.526 1.00 1.00 H new ATOM 0 HA LYS A 26 -9.697 -7.009 5.386 1.00 1.00 H new ATOM 0 HB2 LYS A 26 -8.046 -7.257 7.220 1.00 1.00 H new ATOM 0 HB3 LYS A 26 -7.672 -5.547 7.134 1.00 1.00 H new ATOM 0 HG2 LYS A 26 -9.126 -6.112 9.052 1.00 1.00 H new ATOM 0 HG3 LYS A 26 -9.857 -4.941 7.972 1.00 1.00 H new ATOM 0 HD2 LYS A 26 -11.447 -6.678 8.819 1.00 1.00 H new ATOM 0 HD3 LYS A 26 -11.379 -6.565 7.072 1.00 1.00 H new ATOM 0 HE2 LYS A 26 -11.480 -8.915 7.779 1.00 1.00 H new ATOM 0 HE3 LYS A 26 -9.965 -8.590 6.961 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 -9.630 -9.904 8.936 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 -8.879 -8.391 9.110 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 -10.347 -8.706 9.902 1.00 1.00 H new ATOM 395 N VAL A 27 -10.787 -4.954 4.631 1.00 1.00 N ATOM 396 CA VAL A 27 -11.535 -3.759 4.182 1.00 1.00 C ATOM 397 C VAL A 27 -12.043 -2.940 5.374 1.00 1.00 C ATOM 398 O VAL A 27 -12.601 -3.489 6.324 1.00 1.00 O ATOM 399 CB VAL A 27 -12.672 -4.143 3.203 1.00 1.00 C ATOM 400 CG1 VAL A 27 -13.572 -2.969 2.804 1.00 1.00 C ATOM 401 CG2 VAL A 27 -12.021 -4.677 1.926 1.00 1.00 C ATOM 0 H VAL A 27 -11.302 -5.825 4.499 1.00 1.00 H new ATOM 0 HA VAL A 27 -10.847 -3.118 3.630 1.00 1.00 H new ATOM 0 HB VAL A 27 -13.301 -4.874 3.712 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -14.343 -3.319 2.117 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -14.041 -2.551 3.695 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -12.973 -2.201 2.316 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -12.796 -4.958 1.213 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -11.389 -3.904 1.489 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -11.414 -5.550 2.165 1.00 1.00 H new ATOM 411 N ILE A 28 -11.867 -1.616 5.302 1.00 1.00 N ATOM 412 CA ILE A 28 -12.150 -0.640 6.381 1.00 1.00 C ATOM 413 C ILE A 28 -13.077 0.510 5.938 1.00 1.00 C ATOM 414 O ILE A 28 -13.579 1.265 6.770 1.00 1.00 O ATOM 415 CB ILE A 28 -10.835 -0.080 6.971 1.00 1.00 C ATOM 416 CG1 ILE A 28 -10.104 0.817 5.936 1.00 1.00 C ATOM 417 CG2 ILE A 28 -10.002 -1.232 7.561 1.00 1.00 C ATOM 418 CD1 ILE A 28 -8.576 0.760 5.925 1.00 1.00 C ATOM 0 H ILE A 28 -11.509 -1.168 4.458 1.00 1.00 H new ATOM 0 HA ILE A 28 -12.687 -1.189 7.155 1.00 1.00 H new ATOM 0 HB ILE A 28 -11.038 0.590 7.807 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -10.460 0.547 4.942 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -10.403 1.850 6.112 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -9.076 -0.835 7.976 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -10.571 -1.726 8.349 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -9.769 -1.952 6.776 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -8.192 1.432 5.157 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -8.193 1.065 6.899 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -8.251 -0.258 5.711 1.00 1.00 H new ATOM 430 N THR A 29 -13.337 0.616 4.633 1.00 1.00 N ATOM 431 CA THR A 29 -14.353 1.482 4.011 1.00 1.00 C ATOM 432 C THR A 29 -14.907 0.691 2.832 1.00 1.00 C ATOM 433 O THR A 29 -14.123 0.185 2.028 1.00 1.00 O ATOM 434 CB THR A 29 -13.772 2.823 3.526 1.00 1.00 C ATOM 435 OG1 THR A 29 -13.144 3.524 4.579 1.00 1.00 O ATOM 436 CG2 THR A 29 -14.831 3.747 2.924 1.00 1.00 C ATOM 0 H THR A 29 -12.820 0.073 3.941 1.00 1.00 H new ATOM 0 HA THR A 29 -15.122 1.740 4.739 1.00 1.00 H new ATOM 0 HB THR A 29 -13.049 2.557 2.755 1.00 1.00 H new ATOM 0 HG1 THR A 29 -12.784 4.370 4.240 1.00 1.00 H new ATOM 0 HG21 THR A 29 -14.362 4.676 2.600 1.00 1.00 H new ATOM 0 HG22 THR A 29 -15.296 3.258 2.068 1.00 1.00 H new ATOM 0 HG23 THR A 29 -15.591 3.967 3.674 1.00 1.00 H new ATOM 444 N ALA A 30 -16.229 0.534 2.751 1.00 1.00 N ATOM 445 CA ALA A 30 -16.885 -0.370 1.809 1.00 1.00 C ATOM 446 C ALA A 30 -16.516 -0.085 0.341 1.00 1.00 C ATOM 447 O ALA A 30 -16.430 1.070 -0.081 1.00 1.00 O ATOM 448 CB ALA A 30 -18.400 -0.298 2.031 1.00 1.00 C ATOM 0 H ALA A 30 -16.883 1.040 3.348 1.00 1.00 H new ATOM 0 HA ALA A 30 -16.529 -1.382 2.003 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -18.902 -0.969 1.334 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -18.633 -0.597 3.053 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -18.744 0.723 1.864 1.00 1.00 H new ATOM 454 N VAL A 31 -16.347 -1.152 -0.442 1.00 1.00 N ATOM 455 CA VAL A 31 -15.869 -1.127 -1.831 1.00 1.00 C ATOM 456 C VAL A 31 -16.981 -1.704 -2.718 1.00 1.00 C ATOM 457 O VAL A 31 -17.110 -2.927 -2.793 1.00 1.00 O ATOM 458 CB VAL A 31 -14.564 -1.938 -1.989 1.00 1.00 C ATOM 459 CG1 VAL A 31 -14.009 -1.783 -3.402 1.00 1.00 C ATOM 460 CG2 VAL A 31 -13.446 -1.547 -1.014 1.00 1.00 C ATOM 0 H VAL A 31 -16.547 -2.097 -0.115 1.00 1.00 H new ATOM 0 HA VAL A 31 -15.640 -0.103 -2.127 1.00 1.00 H new ATOM 0 HB VAL A 31 -14.853 -2.966 -1.770 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -13.089 -2.360 -3.497 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -14.742 -2.146 -4.123 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -13.799 -0.731 -3.597 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -12.569 -2.168 -1.198 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -13.186 -0.499 -1.161 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -13.788 -1.696 0.010 1.00 1.00 H new ATOM 470 N PRO A 32 -17.852 -0.878 -3.325 1.00 1.00 N ATOM 471 CA PRO A 32 -18.975 -1.375 -4.117 1.00 1.00 C ATOM 472 C PRO A 32 -18.528 -1.974 -5.461 1.00 1.00 C ATOM 473 O PRO A 32 -17.378 -1.827 -5.886 1.00 1.00 O ATOM 474 CB PRO A 32 -19.919 -0.182 -4.278 1.00 1.00 C ATOM 475 CG PRO A 32 -18.956 0.990 -4.278 1.00 1.00 C ATOM 476 CD PRO A 32 -17.874 0.575 -3.282 1.00 1.00 C ATOM 0 HA PRO A 32 -19.477 -2.205 -3.620 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -20.492 -0.238 -5.203 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -20.638 -0.118 -3.461 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -18.540 1.166 -5.270 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -19.449 1.912 -3.971 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -16.905 0.992 -3.557 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -18.103 0.936 -2.279 1.00 1.00 H new ATOM 484 N VAL A 33 -19.476 -2.621 -6.149 1.00 1.00 N ATOM 485 CA VAL A 33 -19.248 -3.456 -7.347 1.00 1.00 C ATOM 486 C VAL A 33 -18.557 -2.749 -8.524 1.00 1.00 C ATOM 487 O VAL A 33 -18.009 -3.415 -9.398 1.00 1.00 O ATOM 488 CB VAL A 33 -20.562 -4.102 -7.844 1.00 1.00 C ATOM 489 CG1 VAL A 33 -21.342 -4.797 -6.720 1.00 1.00 C ATOM 490 CG2 VAL A 33 -21.503 -3.103 -8.531 1.00 1.00 C ATOM 0 H VAL A 33 -20.460 -2.580 -5.882 1.00 1.00 H new ATOM 0 HA VAL A 33 -18.551 -4.219 -6.999 1.00 1.00 H new ATOM 0 HB VAL A 33 -20.235 -4.843 -8.574 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -22.255 -5.232 -7.126 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -20.727 -5.584 -6.284 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -21.598 -4.069 -5.951 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -22.406 -3.619 -8.856 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -21.769 -2.312 -7.829 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -21.003 -2.667 -9.396 1.00 1.00 H new ATOM 500 N ASP A 34 -18.590 -1.416 -8.566 1.00 1.00 N ATOM 501 CA ASP A 34 -17.992 -0.577 -9.615 1.00 1.00 C ATOM 502 C ASP A 34 -17.448 0.751 -9.032 1.00 1.00 C ATOM 503 O ASP A 34 -17.483 1.796 -9.686 1.00 1.00 O ATOM 504 CB ASP A 34 -19.043 -0.370 -10.726 1.00 1.00 C ATOM 505 CG ASP A 34 -18.473 0.292 -11.990 1.00 1.00 C ATOM 506 OD1 ASP A 34 -17.392 -0.149 -12.452 1.00 1.00 O ATOM 507 OD2 ASP A 34 -19.138 1.213 -12.521 1.00 1.00 O ATOM 0 H ASP A 34 -19.052 -0.866 -7.842 1.00 1.00 H new ATOM 0 HA ASP A 34 -17.124 -1.073 -10.051 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -19.473 -1.335 -10.993 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -19.855 0.245 -10.338 1.00 1.00 H new ATOM 512 N GLY A 35 -16.991 0.725 -7.773 1.00 1.00 N ATOM 513 CA GLY A 35 -16.566 1.914 -7.015 1.00 1.00 C ATOM 514 C GLY A 35 -15.353 1.688 -6.106 1.00 1.00 C ATOM 515 O GLY A 35 -14.598 0.727 -6.276 1.00 1.00 O ATOM 0 H GLY A 35 -16.904 -0.140 -7.240 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -16.333 2.714 -7.718 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -17.402 2.259 -6.406 1.00 1.00 H new ATOM 519 N PHE A 36 -15.176 2.584 -5.128 1.00 1.00 N ATOM 520 CA PHE A 36 -13.974 2.688 -4.292 1.00 1.00 C ATOM 521 C PHE A 36 -14.292 2.703 -2.787 1.00 1.00 C ATOM 522 O PHE A 36 -15.291 3.277 -2.348 1.00 1.00 O ATOM 523 CB PHE A 36 -13.187 3.970 -4.630 1.00 1.00 C ATOM 524 CG PHE A 36 -12.822 4.197 -6.088 1.00 1.00 C ATOM 525 CD1 PHE A 36 -13.784 4.694 -6.991 1.00 1.00 C ATOM 526 CD2 PHE A 36 -11.507 3.967 -6.535 1.00 1.00 C ATOM 527 CE1 PHE A 36 -13.445 4.915 -8.337 1.00 1.00 C ATOM 528 CE2 PHE A 36 -11.165 4.197 -7.880 1.00 1.00 C ATOM 529 CZ PHE A 36 -12.135 4.664 -8.783 1.00 1.00 C ATOM 0 H PHE A 36 -15.886 3.277 -4.889 1.00 1.00 H new ATOM 0 HA PHE A 36 -13.380 1.800 -4.510 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.772 4.825 -4.291 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.265 3.964 -4.048 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -14.786 4.906 -6.647 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -10.758 3.613 -5.843 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -14.191 5.278 -9.029 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -10.156 4.014 -8.219 1.00 1.00 H new ATOM 0 HZ PHE A 36 -11.875 4.830 -9.818 1.00 1.00 H new ATOM 539 N GLY A 37 -13.390 2.107 -2.007 1.00 1.00 N ATOM 540 CA GLY A 37 -13.327 2.146 -0.543 1.00 1.00 C ATOM 541 C GLY A 37 -11.870 2.058 -0.076 1.00 1.00 C ATOM 542 O GLY A 37 -10.984 2.611 -0.730 1.00 1.00 O ATOM 0 H GLY A 37 -12.635 1.548 -2.405 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -13.780 3.067 -0.176 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -13.902 1.320 -0.124 1.00 1.00 H new ATOM 546 N GLU A 38 -11.596 1.376 1.037 1.00 1.00 N ATOM 547 CA GLU A 38 -10.255 1.293 1.647 1.00 1.00 C ATOM 548 C GLU A 38 -9.962 -0.077 2.275 1.00 1.00 C ATOM 549 O GLU A 38 -10.866 -0.790 2.713 1.00 1.00 O ATOM 550 CB GLU A 38 -10.080 2.367 2.736 1.00 1.00 C ATOM 551 CG GLU A 38 -9.875 3.790 2.205 1.00 1.00 C ATOM 552 CD GLU A 38 -9.741 4.807 3.346 1.00 1.00 C ATOM 553 OE1 GLU A 38 -8.812 4.646 4.176 1.00 1.00 O ATOM 554 OE2 GLU A 38 -10.547 5.767 3.380 1.00 1.00 O ATOM 0 H GLU A 38 -12.306 0.856 1.553 1.00 1.00 H new ATOM 0 HA GLU A 38 -9.552 1.454 0.829 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -10.959 2.358 3.381 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -9.226 2.099 3.357 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -8.981 3.821 1.583 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -10.716 4.066 1.568 1.00 1.00 H new ATOM 561 N VAL A 39 -8.672 -0.406 2.377 1.00 1.00 N ATOM 562 CA VAL A 39 -8.127 -1.685 2.859 1.00 1.00 C ATOM 563 C VAL A 39 -6.803 -1.485 3.614 1.00 1.00 C ATOM 564 O VAL A 39 -6.094 -0.504 3.395 1.00 1.00 O ATOM 565 CB VAL A 39 -7.939 -2.626 1.645 1.00 1.00 C ATOM 566 CG1 VAL A 39 -6.746 -2.238 0.760 1.00 1.00 C ATOM 567 CG2 VAL A 39 -7.800 -4.099 2.032 1.00 1.00 C ATOM 0 H VAL A 39 -7.935 0.247 2.111 1.00 1.00 H new ATOM 0 HA VAL A 39 -8.825 -2.131 3.567 1.00 1.00 H new ATOM 0 HB VAL A 39 -8.860 -2.500 1.076 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -6.669 -2.936 -0.073 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -6.892 -1.229 0.375 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -5.829 -2.273 1.349 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -7.671 -4.701 1.132 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -6.932 -4.225 2.680 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -8.697 -4.423 2.560 1.00 1.00 H new ATOM 577 N VAL A 40 -6.447 -2.446 4.464 1.00 1.00 N ATOM 578 CA VAL A 40 -5.131 -2.581 5.131 1.00 1.00 C ATOM 579 C VAL A 40 -4.626 -4.006 4.900 1.00 1.00 C ATOM 580 O VAL A 40 -5.434 -4.930 4.889 1.00 1.00 O ATOM 581 CB VAL A 40 -5.185 -2.366 6.665 1.00 1.00 C ATOM 582 CG1 VAL A 40 -3.843 -1.825 7.168 1.00 1.00 C ATOM 583 CG2 VAL A 40 -6.274 -1.412 7.141 1.00 1.00 C ATOM 0 H VAL A 40 -7.091 -3.192 4.726 1.00 1.00 H new ATOM 0 HA VAL A 40 -4.483 -1.814 4.707 1.00 1.00 H new ATOM 0 HB VAL A 40 -5.415 -3.350 7.074 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -3.892 -1.677 8.247 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -3.053 -2.538 6.935 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -3.629 -0.874 6.681 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -6.233 -1.326 8.227 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -6.119 -0.431 6.693 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -7.250 -1.797 6.844 1.00 1.00 H new ATOM 593 N ILE A 41 -3.318 -4.225 4.746 1.00 1.00 N ATOM 594 CA ILE A 41 -2.747 -5.587 4.741 1.00 1.00 C ATOM 595 C ILE A 41 -2.795 -6.175 6.161 1.00 1.00 C ATOM 596 O ILE A 41 -2.682 -5.447 7.146 1.00 1.00 O ATOM 597 CB ILE A 41 -1.329 -5.563 4.133 1.00 1.00 C ATOM 598 CG1 ILE A 41 -1.366 -5.118 2.656 1.00 1.00 C ATOM 599 CG2 ILE A 41 -0.565 -6.896 4.243 1.00 1.00 C ATOM 600 CD1 ILE A 41 -2.237 -5.949 1.705 1.00 1.00 C ATOM 0 H ILE A 41 -2.630 -3.482 4.623 1.00 1.00 H new ATOM 0 HA ILE A 41 -3.342 -6.246 4.109 1.00 1.00 H new ATOM 0 HB ILE A 41 -0.782 -4.838 4.735 1.00 1.00 H new ATOM 0 HG12 ILE A 41 -1.714 -4.086 2.621 1.00 1.00 H new ATOM 0 HG13 ILE A 41 -0.345 -5.123 2.274 1.00 1.00 H new ATOM 0 HG21 ILE A 41 0.421 -6.789 3.791 1.00 1.00 H new ATOM 0 HG22 ILE A 41 -0.455 -7.167 5.293 1.00 1.00 H new ATOM 0 HG23 ILE A 41 -1.120 -7.677 3.723 1.00 1.00 H new ATOM 0 HD11 ILE A 41 -2.177 -5.533 0.699 1.00 1.00 H new ATOM 0 HD12 ILE A 41 -1.882 -6.980 1.693 1.00 1.00 H new ATOM 0 HD13 ILE A 41 -3.272 -5.926 2.046 1.00 1.00 H new ATOM 612 N GLU A 42 -2.965 -7.495 6.268 1.00 1.00 N ATOM 613 CA GLU A 42 -3.253 -8.227 7.520 1.00 1.00 C ATOM 614 C GLU A 42 -2.226 -8.078 8.664 1.00 1.00 C ATOM 615 O GLU A 42 -2.552 -8.375 9.815 1.00 1.00 O ATOM 616 CB GLU A 42 -3.491 -9.715 7.199 1.00 1.00 C ATOM 617 CG GLU A 42 -4.893 -9.991 6.633 1.00 1.00 C ATOM 618 CD GLU A 42 -5.955 -10.085 7.735 1.00 1.00 C ATOM 619 OE1 GLU A 42 -6.413 -9.017 8.206 1.00 1.00 O ATOM 620 OE2 GLU A 42 -6.309 -11.226 8.117 1.00 1.00 O ATOM 0 H GLU A 42 -2.905 -8.113 5.459 1.00 1.00 H new ATOM 0 HA GLU A 42 -4.149 -7.752 7.919 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.743 -10.050 6.481 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -3.349 -10.304 8.105 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -5.164 -9.198 5.936 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -4.877 -10.922 6.066 1.00 1.00 H new ATOM 627 N GLY A 43 -1.021 -7.564 8.399 1.00 1.00 N ATOM 628 CA GLY A 43 -0.022 -7.166 9.407 1.00 1.00 C ATOM 629 C GLY A 43 -0.369 -5.863 10.142 1.00 1.00 C ATOM 630 O GLY A 43 0.514 -5.034 10.352 1.00 1.00 O ATOM 0 H GLY A 43 -0.699 -7.406 7.444 1.00 1.00 H new ATOM 0 HA2 GLY A 43 0.082 -7.968 10.138 1.00 1.00 H new ATOM 0 HA3 GLY A 43 0.946 -7.051 8.920 1.00 1.00 H new ATOM 634 N ILE A 44 -1.644 -5.674 10.507 1.00 1.00 N ATOM 635 CA ILE A 44 -2.262 -4.437 11.029 1.00 1.00 C ATOM 636 C ILE A 44 -1.509 -3.697 12.153 1.00 1.00 C ATOM 637 O ILE A 44 -1.697 -2.491 12.321 1.00 1.00 O ATOM 638 CB ILE A 44 -3.768 -4.639 11.330 1.00 1.00 C ATOM 639 CG1 ILE A 44 -4.143 -5.846 12.216 1.00 1.00 C ATOM 640 CG2 ILE A 44 -4.538 -4.781 10.002 1.00 1.00 C ATOM 641 CD1 ILE A 44 -3.552 -5.831 13.628 1.00 1.00 C ATOM 0 H ILE A 44 -2.323 -6.432 10.443 1.00 1.00 H new ATOM 0 HA ILE A 44 -2.167 -3.731 10.204 1.00 1.00 H new ATOM 0 HB ILE A 44 -4.042 -3.753 11.904 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -5.229 -5.894 12.295 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -3.820 -6.758 11.714 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -5.599 -4.923 10.210 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -4.403 -3.879 9.405 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -4.158 -5.641 9.451 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -3.876 -6.721 14.167 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -2.464 -5.819 13.567 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -3.895 -4.942 14.157 1.00 1.00 H new ATOM 653 N GLY A 45 -0.642 -4.381 12.909 1.00 1.00 N ATOM 654 CA GLY A 45 0.268 -3.772 13.889 1.00 1.00 C ATOM 655 C GLY A 45 1.375 -2.885 13.289 1.00 1.00 C ATOM 656 O GLY A 45 1.973 -2.092 14.022 1.00 1.00 O ATOM 0 H GLY A 45 -0.551 -5.396 12.856 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -0.320 -3.172 14.584 1.00 1.00 H new ATOM 0 HA3 GLY A 45 0.736 -4.567 14.470 1.00 1.00 H new ATOM 660 N GLY A 46 1.649 -2.982 11.978 1.00 1.00 N ATOM 661 CA GLY A 46 2.696 -2.199 11.294 1.00 1.00 C ATOM 662 C GLY A 46 2.483 -1.901 9.798 1.00 1.00 C ATOM 663 O GLY A 46 3.243 -1.114 9.230 1.00 1.00 O ATOM 0 H GLY A 46 1.145 -3.613 11.355 1.00 1.00 H new ATOM 0 HA2 GLY A 46 2.804 -1.248 11.817 1.00 1.00 H new ATOM 0 HA3 GLY A 46 3.641 -2.731 11.402 1.00 1.00 H new ATOM 667 N THR A 47 1.476 -2.491 9.144 1.00 1.00 N ATOM 668 CA THR A 47 1.075 -2.182 7.752 1.00 1.00 C ATOM 669 C THR A 47 0.387 -0.808 7.613 1.00 1.00 C ATOM 670 O THR A 47 0.185 -0.087 8.595 1.00 1.00 O ATOM 671 CB THR A 47 0.167 -3.293 7.197 1.00 1.00 C ATOM 672 OG1 THR A 47 -0.905 -3.518 8.076 1.00 1.00 O ATOM 673 CG2 THR A 47 0.938 -4.600 7.003 1.00 1.00 C ATOM 0 H THR A 47 0.899 -3.215 9.572 1.00 1.00 H new ATOM 0 HA THR A 47 1.993 -2.134 7.166 1.00 1.00 H new ATOM 0 HB THR A 47 -0.206 -2.963 6.227 1.00 1.00 H new ATOM 0 HG1 THR A 47 -1.506 -4.190 7.693 1.00 1.00 H new ATOM 0 HG21 THR A 47 0.267 -5.363 6.610 1.00 1.00 H new ATOM 0 HG22 THR A 47 1.756 -4.439 6.301 1.00 1.00 H new ATOM 0 HG23 THR A 47 1.342 -4.930 7.960 1.00 1.00 H new ATOM 681 N ILE A 48 0.023 -0.431 6.377 1.00 1.00 N ATOM 682 CA ILE A 48 -0.453 0.909 5.991 1.00 1.00 C ATOM 683 C ILE A 48 -1.775 0.787 5.216 1.00 1.00 C ATOM 684 O ILE A 48 -1.897 -0.046 4.314 1.00 1.00 O ATOM 685 CB ILE A 48 0.623 1.613 5.122 1.00 1.00 C ATOM 686 CG1 ILE A 48 2.006 1.738 5.807 1.00 1.00 C ATOM 687 CG2 ILE A 48 0.159 3.002 4.646 1.00 1.00 C ATOM 688 CD1 ILE A 48 2.047 2.640 7.048 1.00 1.00 C ATOM 0 H ILE A 48 0.053 -1.076 5.587 1.00 1.00 H new ATOM 0 HA ILE A 48 -0.628 1.506 6.886 1.00 1.00 H new ATOM 0 HB ILE A 48 0.749 0.956 4.261 1.00 1.00 H new ATOM 0 HG12 ILE A 48 2.343 0.741 6.092 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.721 2.120 5.078 1.00 1.00 H new ATOM 0 HG21 ILE A 48 0.942 3.460 4.041 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -0.747 2.898 4.049 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -0.047 3.633 5.511 1.00 1.00 H new ATOM 0 HD11 ILE A 48 3.060 2.659 7.451 1.00 1.00 H new ATOM 0 HD12 ILE A 48 1.747 3.651 6.773 1.00 1.00 H new ATOM 0 HD13 ILE A 48 1.363 2.252 7.803 1.00 1.00 H new ATOM 700 N SER A 49 -2.764 1.617 5.561 1.00 1.00 N ATOM 701 CA SER A 49 -4.059 1.694 4.862 1.00 1.00 C ATOM 702 C SER A 49 -3.920 2.311 3.463 1.00 1.00 C ATOM 703 O SER A 49 -3.160 3.263 3.273 1.00 1.00 O ATOM 704 CB SER A 49 -5.052 2.554 5.652 1.00 1.00 C ATOM 705 OG SER A 49 -5.181 2.083 6.985 1.00 1.00 O ATOM 0 H SER A 49 -2.690 2.266 6.345 1.00 1.00 H new ATOM 0 HA SER A 49 -4.421 0.670 4.774 1.00 1.00 H new ATOM 0 HB2 SER A 49 -4.716 3.591 5.659 1.00 1.00 H new ATOM 0 HB3 SER A 49 -6.025 2.538 5.160 1.00 1.00 H new ATOM 0 HG SER A 49 -5.818 2.647 7.471 1.00 1.00 H new ATOM 711 N LYS A 50 -4.699 1.817 2.496 1.00 1.00 N ATOM 712 CA LYS A 50 -4.715 2.254 1.087 1.00 1.00 C ATOM 713 C LYS A 50 -6.149 2.289 0.546 1.00 1.00 C ATOM 714 O LYS A 50 -7.026 1.597 1.070 1.00 1.00 O ATOM 715 CB LYS A 50 -3.888 1.273 0.228 1.00 1.00 C ATOM 716 CG LYS A 50 -2.425 1.045 0.650 1.00 1.00 C ATOM 717 CD LYS A 50 -1.530 2.272 0.439 1.00 1.00 C ATOM 718 CE LYS A 50 -0.113 1.979 0.944 1.00 1.00 C ATOM 719 NZ LYS A 50 0.812 3.077 0.598 1.00 1.00 N ATOM 0 H LYS A 50 -5.367 1.068 2.677 1.00 1.00 H new ATOM 0 HA LYS A 50 -4.287 3.255 1.036 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -4.396 0.309 0.229 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -3.893 1.635 -0.800 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -2.398 0.762 1.702 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -2.018 0.207 0.084 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -1.501 2.534 -0.619 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -1.944 3.130 0.969 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -0.130 1.841 2.025 1.00 1.00 H new ATOM 0 HE3 LYS A 50 0.246 1.046 0.509 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 1.716 2.938 1.092 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 0.976 3.082 -0.429 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 0.396 3.985 0.887 1.00 1.00 H new ATOM 733 N SER A 51 -6.394 3.054 -0.518 1.00 1.00 N ATOM 734 CA SER A 51 -7.665 2.993 -1.257 1.00 1.00 C ATOM 735 C SER A 51 -7.776 1.667 -2.015 1.00 1.00 C ATOM 736 O SER A 51 -6.766 1.057 -2.377 1.00 1.00 O ATOM 737 CB SER A 51 -7.804 4.170 -2.230 1.00 1.00 C ATOM 738 OG SER A 51 -7.742 5.402 -1.525 1.00 1.00 O ATOM 0 H SER A 51 -5.727 3.729 -0.893 1.00 1.00 H new ATOM 0 HA SER A 51 -8.476 3.059 -0.531 1.00 1.00 H new ATOM 0 HB2 SER A 51 -7.010 4.130 -2.976 1.00 1.00 H new ATOM 0 HB3 SER A 51 -8.750 4.097 -2.767 1.00 1.00 H new ATOM 0 HG SER A 51 -7.830 6.146 -2.157 1.00 1.00 H new ATOM 744 N ALA A 52 -9.006 1.219 -2.262 1.00 1.00 N ATOM 745 CA ALA A 52 -9.281 -0.088 -2.857 1.00 1.00 C ATOM 746 C ALA A 52 -10.482 -0.091 -3.818 1.00 1.00 C ATOM 747 O ALA A 52 -11.444 0.652 -3.618 1.00 1.00 O ATOM 748 CB ALA A 52 -9.483 -1.104 -1.724 1.00 1.00 C ATOM 0 H ALA A 52 -9.847 1.757 -2.053 1.00 1.00 H new ATOM 0 HA ALA A 52 -8.424 -0.360 -3.473 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -9.690 -2.086 -2.149 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -8.580 -1.154 -1.115 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -10.323 -0.794 -1.102 1.00 1.00 H new ATOM 754 N VAL A 53 -10.440 -0.980 -4.817 1.00 1.00 N ATOM 755 CA VAL A 53 -11.520 -1.286 -5.779 1.00 1.00 C ATOM 756 C VAL A 53 -11.771 -2.798 -5.854 1.00 1.00 C ATOM 757 O VAL A 53 -10.867 -3.593 -5.586 1.00 1.00 O ATOM 758 CB VAL A 53 -11.223 -0.738 -7.192 1.00 1.00 C ATOM 759 CG1 VAL A 53 -11.079 0.784 -7.176 1.00 1.00 C ATOM 760 CG2 VAL A 53 -9.973 -1.336 -7.851 1.00 1.00 C ATOM 0 H VAL A 53 -9.606 -1.541 -4.991 1.00 1.00 H new ATOM 0 HA VAL A 53 -12.416 -0.786 -5.410 1.00 1.00 H new ATOM 0 HB VAL A 53 -12.084 -1.040 -7.788 1.00 1.00 H new ATOM 0 HG11 VAL A 53 -10.870 1.140 -8.185 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -12.005 1.233 -6.817 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -10.259 1.065 -6.515 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -9.838 -0.897 -8.840 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -9.099 -1.121 -7.236 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -10.093 -2.415 -7.947 1.00 1.00 H new ATOM 770 N SER A 54 -12.984 -3.220 -6.227 1.00 1.00 N ATOM 771 CA SER A 54 -13.282 -4.646 -6.433 1.00 1.00 C ATOM 772 C SER A 54 -12.761 -5.129 -7.791 1.00 1.00 C ATOM 773 O SER A 54 -13.150 -4.612 -8.841 1.00 1.00 O ATOM 774 CB SER A 54 -14.780 -4.939 -6.327 1.00 1.00 C ATOM 775 OG SER A 54 -14.962 -6.347 -6.416 1.00 1.00 O ATOM 0 H SER A 54 -13.775 -2.598 -6.393 1.00 1.00 H new ATOM 0 HA SER A 54 -12.770 -5.189 -5.639 1.00 1.00 H new ATOM 0 HB2 SER A 54 -15.176 -4.563 -5.384 1.00 1.00 H new ATOM 0 HB3 SER A 54 -15.324 -4.434 -7.125 1.00 1.00 H new ATOM 0 HG SER A 54 -15.084 -6.719 -5.517 1.00 1.00 H new ATOM 781 N PHE A 55 -11.904 -6.151 -7.773 1.00 1.00 N ATOM 782 CA PHE A 55 -11.447 -6.869 -8.970 1.00 1.00 C ATOM 783 C PHE A 55 -12.482 -7.886 -9.501 1.00 1.00 C ATOM 784 O PHE A 55 -12.355 -8.383 -10.620 1.00 1.00 O ATOM 785 CB PHE A 55 -10.134 -7.576 -8.619 1.00 1.00 C ATOM 786 CG PHE A 55 -9.353 -8.109 -9.809 1.00 1.00 C ATOM 787 CD1 PHE A 55 -8.616 -7.224 -10.622 1.00 1.00 C ATOM 788 CD2 PHE A 55 -9.338 -9.488 -10.095 1.00 1.00 C ATOM 789 CE1 PHE A 55 -7.866 -7.715 -11.705 1.00 1.00 C ATOM 790 CE2 PHE A 55 -8.584 -9.980 -11.176 1.00 1.00 C ATOM 791 CZ PHE A 55 -7.846 -9.094 -11.980 1.00 1.00 C ATOM 0 H PHE A 55 -11.498 -6.512 -6.910 1.00 1.00 H new ATOM 0 HA PHE A 55 -11.305 -6.146 -9.773 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -9.500 -6.880 -8.070 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -10.354 -8.406 -7.947 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -8.628 -6.165 -10.412 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -9.908 -10.171 -9.482 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -7.305 -7.033 -12.326 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -8.572 -11.039 -11.388 1.00 1.00 H new ATOM 0 HZ PHE A 55 -7.264 -9.472 -12.808 1.00 1.00 H new ATOM 801 N ASP A 56 -13.519 -8.190 -8.711 1.00 1.00 N ATOM 802 CA ASP A 56 -14.480 -9.279 -8.948 1.00 1.00 C ATOM 803 C ASP A 56 -15.946 -8.785 -8.979 1.00 1.00 C ATOM 804 O ASP A 56 -16.884 -9.576 -8.862 1.00 1.00 O ATOM 805 CB ASP A 56 -14.219 -10.366 -7.889 1.00 1.00 C ATOM 806 CG ASP A 56 -14.982 -11.671 -8.152 1.00 1.00 C ATOM 807 OD1 ASP A 56 -14.804 -12.242 -9.255 1.00 1.00 O ATOM 808 OD2 ASP A 56 -15.722 -12.117 -7.243 1.00 1.00 O ATOM 0 H ASP A 56 -13.721 -7.667 -7.859 1.00 1.00 H new ATOM 0 HA ASP A 56 -14.330 -9.702 -9.941 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -13.151 -10.579 -7.854 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -14.499 -9.982 -6.908 1.00 1.00 H new ATOM 813 N ASN A 57 -16.143 -7.469 -9.131 1.00 1.00 N ATOM 814 CA ASN A 57 -17.433 -6.766 -9.101 1.00 1.00 C ATOM 815 C ASN A 57 -18.333 -7.163 -7.908 1.00 1.00 C ATOM 816 O ASN A 57 -19.528 -7.426 -8.060 1.00 1.00 O ATOM 817 CB ASN A 57 -18.130 -6.871 -10.474 1.00 1.00 C ATOM 818 CG ASN A 57 -17.330 -6.247 -11.604 1.00 1.00 C ATOM 819 OD1 ASN A 57 -16.766 -6.924 -12.452 1.00 1.00 O ATOM 820 ND2 ASN A 57 -17.263 -4.936 -11.660 1.00 1.00 N ATOM 0 H ASN A 57 -15.363 -6.830 -9.287 1.00 1.00 H new ATOM 0 HA ASN A 57 -17.228 -5.711 -8.919 1.00 1.00 H new ATOM 0 HB2 ASN A 57 -18.310 -7.921 -10.703 1.00 1.00 H new ATOM 0 HB3 ASN A 57 -19.104 -6.386 -10.417 1.00 1.00 H new ATOM 0 HD21 ASN A 57 -16.741 -4.484 -12.410 1.00 1.00 H new ATOM 0 HD22 ASN A 57 -17.733 -4.371 -10.953 1.00 1.00 H new ATOM 827 N GLN A 58 -17.746 -7.206 -6.710 1.00 1.00 N ATOM 828 CA GLN A 58 -18.422 -7.495 -5.442 1.00 1.00 C ATOM 829 C GLN A 58 -18.623 -6.219 -4.613 1.00 1.00 C ATOM 830 O GLN A 58 -17.875 -5.251 -4.753 1.00 1.00 O ATOM 831 CB GLN A 58 -17.592 -8.504 -4.630 1.00 1.00 C ATOM 832 CG GLN A 58 -17.347 -9.843 -5.341 1.00 1.00 C ATOM 833 CD GLN A 58 -18.635 -10.534 -5.788 1.00 1.00 C ATOM 834 OE1 GLN A 58 -19.486 -10.902 -4.987 1.00 1.00 O ATOM 835 NE2 GLN A 58 -18.844 -10.719 -7.073 1.00 1.00 N ATOM 0 H GLN A 58 -16.748 -7.034 -6.591 1.00 1.00 H new ATOM 0 HA GLN A 58 -19.402 -7.915 -5.670 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -16.629 -8.053 -4.389 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -18.100 -8.696 -3.685 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -16.713 -9.674 -6.211 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -16.800 -10.507 -4.672 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -18.145 -10.418 -7.752 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -19.705 -11.163 -7.391 1.00 1.00 H new ATOM 844 N GLN A 59 -19.618 -6.227 -3.720 1.00 1.00 N ATOM 845 CA GLN A 59 -19.883 -5.141 -2.771 1.00 1.00 C ATOM 846 C GLN A 59 -19.221 -5.480 -1.422 1.00 1.00 C ATOM 847 O GLN A 59 -19.833 -6.067 -0.528 1.00 1.00 O ATOM 848 CB GLN A 59 -21.400 -4.881 -2.682 1.00 1.00 C ATOM 849 CG GLN A 59 -21.713 -3.497 -2.088 1.00 1.00 C ATOM 850 CD GLN A 59 -23.202 -3.320 -1.780 1.00 1.00 C ATOM 851 OE1 GLN A 59 -24.078 -3.617 -2.583 1.00 1.00 O ATOM 852 NE2 GLN A 59 -23.553 -2.826 -0.610 1.00 1.00 N ATOM 0 H GLN A 59 -20.274 -7.003 -3.635 1.00 1.00 H new ATOM 0 HA GLN A 59 -19.441 -4.204 -3.110 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -21.840 -4.957 -3.676 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -21.865 -5.653 -2.068 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -21.136 -3.358 -1.174 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -21.394 -2.724 -2.787 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -22.838 -2.573 0.072 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -24.540 -2.697 -0.386 1.00 1.00 H new ATOM 861 N ILE A 60 -17.923 -5.188 -1.319 1.00 1.00 N ATOM 862 CA ILE A 60 -17.044 -5.608 -0.222 1.00 1.00 C ATOM 863 C ILE A 60 -17.264 -4.696 0.988 1.00 1.00 C ATOM 864 O ILE A 60 -16.750 -3.579 1.037 1.00 1.00 O ATOM 865 CB ILE A 60 -15.556 -5.666 -0.656 1.00 1.00 C ATOM 866 CG1 ILE A 60 -15.349 -6.152 -2.114 1.00 1.00 C ATOM 867 CG2 ILE A 60 -14.841 -6.595 0.329 1.00 1.00 C ATOM 868 CD1 ILE A 60 -13.884 -6.202 -2.568 1.00 1.00 C ATOM 0 H ILE A 60 -17.436 -4.632 -2.022 1.00 1.00 H new ATOM 0 HA ILE A 60 -17.305 -6.627 0.064 1.00 1.00 H new ATOM 0 HB ILE A 60 -15.146 -4.656 -0.636 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -15.782 -7.147 -2.216 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -15.901 -5.494 -2.785 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -13.787 -6.667 0.062 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -14.933 -6.195 1.339 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -15.294 -7.586 0.289 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -13.834 -6.553 -3.599 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -13.449 -5.205 -2.502 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -13.327 -6.884 -1.926 1.00 1.00 H new ATOM 880 N SER A 61 -18.094 -5.140 1.932 1.00 1.00 N ATOM 881 CA SER A 61 -18.432 -4.381 3.145 1.00 1.00 C ATOM 882 C SER A 61 -17.265 -4.289 4.145 1.00 1.00 C ATOM 883 O SER A 61 -16.239 -4.965 4.016 1.00 1.00 O ATOM 884 CB SER A 61 -19.672 -5.000 3.802 1.00 1.00 C ATOM 885 OG SER A 61 -20.257 -4.081 4.711 1.00 1.00 O ATOM 0 H SER A 61 -18.558 -6.047 1.879 1.00 1.00 H new ATOM 0 HA SER A 61 -18.646 -3.356 2.844 1.00 1.00 H new ATOM 0 HB2 SER A 61 -20.397 -5.277 3.037 1.00 1.00 H new ATOM 0 HB3 SER A 61 -19.396 -5.915 4.326 1.00 1.00 H new ATOM 0 HG SER A 61 -21.048 -4.487 5.123 1.00 1.00 H new ATOM 891 N TYR A 62 -17.437 -3.451 5.169 1.00 1.00 N ATOM 892 CA TYR A 62 -16.513 -3.278 6.293 1.00 1.00 C ATOM 893 C TYR A 62 -16.187 -4.604 7.010 1.00 1.00 C ATOM 894 O TYR A 62 -17.066 -5.441 7.232 1.00 1.00 O ATOM 895 CB TYR A 62 -17.152 -2.288 7.282 1.00 1.00 C ATOM 896 CG TYR A 62 -16.308 -1.993 8.509 1.00 1.00 C ATOM 897 CD1 TYR A 62 -16.420 -2.794 9.665 1.00 1.00 C ATOM 898 CD2 TYR A 62 -15.400 -0.920 8.488 1.00 1.00 C ATOM 899 CE1 TYR A 62 -15.606 -2.532 10.785 1.00 1.00 C ATOM 900 CE2 TYR A 62 -14.586 -0.653 9.605 1.00 1.00 C ATOM 901 CZ TYR A 62 -14.685 -1.463 10.758 1.00 1.00 C ATOM 902 OH TYR A 62 -13.903 -1.216 11.846 1.00 1.00 O ATOM 0 H TYR A 62 -18.257 -2.849 5.241 1.00 1.00 H new ATOM 0 HA TYR A 62 -15.567 -2.899 5.907 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -17.353 -1.352 6.761 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -18.114 -2.686 7.605 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -17.129 -3.608 9.692 1.00 1.00 H new ATOM 0 HD2 TYR A 62 -15.326 -0.296 7.609 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -15.687 -3.151 11.666 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -13.887 0.170 9.580 1.00 1.00 H new ATOM 0 HH TYR A 62 -13.323 -0.447 11.664 1.00 1.00 H new ATOM 912 N GLY A 63 -14.929 -4.770 7.425 1.00 1.00 N ATOM 913 CA GLY A 63 -14.497 -5.854 8.308 1.00 1.00 C ATOM 914 C GLY A 63 -14.399 -7.244 7.668 1.00 1.00 C ATOM 915 O GLY A 63 -14.549 -8.235 8.384 1.00 1.00 O ATOM 0 H GLY A 63 -14.171 -4.145 7.152 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -13.521 -5.595 8.718 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -15.190 -5.910 9.147 1.00 1.00 H new ATOM 919 N THR A 64 -14.139 -7.345 6.357 1.00 1.00 N ATOM 920 CA THR A 64 -13.986 -8.640 5.661 1.00 1.00 C ATOM 921 C THR A 64 -12.580 -8.838 5.102 1.00 1.00 C ATOM 922 O THR A 64 -11.862 -7.874 4.817 1.00 1.00 O ATOM 923 CB THR A 64 -15.055 -8.833 4.575 1.00 1.00 C ATOM 924 OG1 THR A 64 -15.248 -10.213 4.364 1.00 1.00 O ATOM 925 CG2 THR A 64 -14.707 -8.220 3.224 1.00 1.00 C ATOM 0 H THR A 64 -14.028 -6.536 5.746 1.00 1.00 H new ATOM 0 HA THR A 64 -14.138 -9.414 6.413 1.00 1.00 H new ATOM 0 HB THR A 64 -15.944 -8.323 4.947 1.00 1.00 H new ATOM 0 HG1 THR A 64 -15.930 -10.346 3.673 1.00 1.00 H new ATOM 0 HG21 THR A 64 -15.519 -8.406 2.520 1.00 1.00 H new ATOM 0 HG22 THR A 64 -14.564 -7.145 3.338 1.00 1.00 H new ATOM 0 HG23 THR A 64 -13.789 -8.670 2.846 1.00 1.00 H new ATOM 933 N THR A 65 -12.185 -10.102 4.960 1.00 1.00 N ATOM 934 CA THR A 65 -10.826 -10.517 4.589 1.00 1.00 C ATOM 935 C THR A 65 -10.724 -10.706 3.078 1.00 1.00 C ATOM 936 O THR A 65 -11.475 -11.476 2.473 1.00 1.00 O ATOM 937 CB THR A 65 -10.431 -11.796 5.337 1.00 1.00 C ATOM 938 OG1 THR A 65 -10.569 -11.583 6.727 1.00 1.00 O ATOM 939 CG2 THR A 65 -8.976 -12.186 5.087 1.00 1.00 C ATOM 0 H THR A 65 -12.816 -10.890 5.103 1.00 1.00 H new ATOM 0 HA THR A 65 -10.128 -9.732 4.879 1.00 1.00 H new ATOM 0 HB THR A 65 -11.083 -12.591 4.975 1.00 1.00 H new ATOM 0 HG1 THR A 65 -10.319 -12.399 7.209 1.00 1.00 H new ATOM 0 HG21 THR A 65 -8.744 -13.098 5.638 1.00 1.00 H new ATOM 0 HG22 THR A 65 -8.823 -12.357 4.021 1.00 1.00 H new ATOM 0 HG23 THR A 65 -8.321 -11.382 5.423 1.00 1.00 H new ATOM 947 N VAL A 66 -9.761 -10.019 2.469 1.00 1.00 N ATOM 948 CA VAL A 66 -9.611 -9.869 1.013 1.00 1.00 C ATOM 949 C VAL A 66 -8.205 -10.215 0.537 1.00 1.00 C ATOM 950 O VAL A 66 -7.234 -9.956 1.233 1.00 1.00 O ATOM 951 CB VAL A 66 -9.968 -8.433 0.571 1.00 1.00 C ATOM 952 CG1 VAL A 66 -11.450 -8.102 0.771 1.00 1.00 C ATOM 953 CG2 VAL A 66 -9.169 -7.341 1.297 1.00 1.00 C ATOM 0 H VAL A 66 -9.033 -9.531 2.990 1.00 1.00 H new ATOM 0 HA VAL A 66 -10.303 -10.575 0.554 1.00 1.00 H new ATOM 0 HB VAL A 66 -9.711 -8.430 -0.488 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -11.642 -7.080 0.443 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -12.059 -8.791 0.186 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -11.705 -8.198 1.826 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -9.477 -6.361 0.932 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -9.357 -7.404 2.369 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -8.105 -7.481 1.107 1.00 1.00 H new ATOM 963 N LEU A 67 -8.073 -10.792 -0.654 1.00 1.00 N ATOM 964 CA LEU A 67 -6.781 -10.972 -1.323 1.00 1.00 C ATOM 965 C LEU A 67 -6.571 -9.801 -2.288 1.00 1.00 C ATOM 966 O LEU A 67 -7.448 -9.518 -3.110 1.00 1.00 O ATOM 967 CB LEU A 67 -6.788 -12.326 -2.060 1.00 1.00 C ATOM 968 CG LEU A 67 -5.482 -12.676 -2.798 1.00 1.00 C ATOM 969 CD1 LEU A 67 -4.314 -12.894 -1.833 1.00 1.00 C ATOM 970 CD2 LEU A 67 -5.673 -13.961 -3.603 1.00 1.00 C ATOM 0 H LEU A 67 -8.863 -11.152 -1.189 1.00 1.00 H new ATOM 0 HA LEU A 67 -5.959 -10.982 -0.607 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -7.001 -13.114 -1.338 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -7.605 -12.325 -2.781 1.00 1.00 H new ATOM 0 HG LEU A 67 -5.248 -11.833 -3.448 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -3.415 -13.138 -2.399 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -4.144 -11.985 -1.256 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -4.550 -13.714 -1.155 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -4.747 -14.205 -4.124 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -5.937 -14.776 -2.929 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -6.472 -13.819 -4.331 1.00 1.00 H new ATOM 982 N VAL A 68 -5.428 -9.113 -2.201 1.00 1.00 N ATOM 983 CA VAL A 68 -5.049 -8.126 -3.225 1.00 1.00 C ATOM 984 C VAL A 68 -4.594 -8.888 -4.471 1.00 1.00 C ATOM 985 O VAL A 68 -3.719 -9.748 -4.385 1.00 1.00 O ATOM 986 CB VAL A 68 -3.947 -7.156 -2.754 1.00 1.00 C ATOM 987 CG1 VAL A 68 -3.845 -5.984 -3.735 1.00 1.00 C ATOM 988 CG2 VAL A 68 -4.225 -6.586 -1.356 1.00 1.00 C ATOM 0 H VAL A 68 -4.754 -9.217 -1.442 1.00 1.00 H new ATOM 0 HA VAL A 68 -5.918 -7.505 -3.440 1.00 1.00 H new ATOM 0 HB VAL A 68 -3.018 -7.724 -2.715 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -3.066 -5.298 -3.402 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -3.597 -6.361 -4.727 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -4.799 -5.458 -3.774 1.00 1.00 H new ATOM 0 HG21 VAL A 68 -3.419 -5.909 -1.072 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -5.169 -6.042 -1.366 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -4.284 -7.402 -0.636 1.00 1.00 H new ATOM 998 N VAL A 69 -5.198 -8.593 -5.622 1.00 1.00 N ATOM 999 CA VAL A 69 -5.046 -9.364 -6.873 1.00 1.00 C ATOM 1000 C VAL A 69 -4.493 -8.540 -8.045 1.00 1.00 C ATOM 1001 O VAL A 69 -3.908 -9.103 -8.970 1.00 1.00 O ATOM 1002 CB VAL A 69 -6.361 -10.067 -7.259 1.00 1.00 C ATOM 1003 CG1 VAL A 69 -6.559 -11.335 -6.421 1.00 1.00 C ATOM 1004 CG2 VAL A 69 -7.599 -9.183 -7.079 1.00 1.00 C ATOM 0 H VAL A 69 -5.823 -7.793 -5.721 1.00 1.00 H new ATOM 0 HA VAL A 69 -4.293 -10.124 -6.662 1.00 1.00 H new ATOM 0 HB VAL A 69 -6.264 -10.306 -8.318 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -7.493 -11.818 -6.708 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -5.728 -12.019 -6.594 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -6.597 -11.071 -5.364 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -8.490 -9.741 -7.369 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -7.683 -8.883 -6.035 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -7.507 -8.296 -7.705 1.00 1.00 H new ATOM 1014 N ASP A 70 -4.601 -7.211 -7.990 1.00 1.00 N ATOM 1015 CA ASP A 70 -3.937 -6.261 -8.896 1.00 1.00 C ATOM 1016 C ASP A 70 -3.688 -4.957 -8.117 1.00 1.00 C ATOM 1017 O ASP A 70 -4.279 -4.760 -7.057 1.00 1.00 O ATOM 1018 CB ASP A 70 -4.778 -6.021 -10.165 1.00 1.00 C ATOM 1019 CG ASP A 70 -3.920 -5.756 -11.405 1.00 1.00 C ATOM 1020 OD1 ASP A 70 -3.198 -4.732 -11.406 1.00 1.00 O ATOM 1021 OD2 ASP A 70 -3.985 -6.572 -12.354 1.00 1.00 O ATOM 0 H ASP A 70 -5.175 -6.745 -7.287 1.00 1.00 H new ATOM 0 HA ASP A 70 -2.985 -6.668 -9.236 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -5.411 -6.890 -10.346 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -5.442 -5.172 -10.000 1.00 1.00 H new ATOM 1026 N ILE A 71 -2.806 -4.073 -8.586 1.00 1.00 N ATOM 1027 CA ILE A 71 -2.385 -2.871 -7.842 1.00 1.00 C ATOM 1028 C ILE A 71 -2.080 -1.712 -8.803 1.00 1.00 C ATOM 1029 O ILE A 71 -1.449 -1.884 -9.848 1.00 1.00 O ATOM 1030 CB ILE A 71 -1.171 -3.193 -6.922 1.00 1.00 C ATOM 1031 CG1 ILE A 71 -1.600 -4.189 -5.817 1.00 1.00 C ATOM 1032 CG2 ILE A 71 -0.575 -1.932 -6.271 1.00 1.00 C ATOM 1033 CD1 ILE A 71 -0.630 -4.418 -4.659 1.00 1.00 C ATOM 0 H ILE A 71 -2.357 -4.166 -9.497 1.00 1.00 H new ATOM 0 HA ILE A 71 -3.208 -2.554 -7.202 1.00 1.00 H new ATOM 0 HB ILE A 71 -0.398 -3.635 -7.552 1.00 1.00 H new ATOM 0 HG12 ILE A 71 -2.546 -3.842 -5.400 1.00 1.00 H new ATOM 0 HG13 ILE A 71 -1.794 -5.152 -6.289 1.00 1.00 H new ATOM 0 HG21 ILE A 71 0.268 -2.212 -5.640 1.00 1.00 H new ATOM 0 HG22 ILE A 71 -0.235 -1.247 -7.048 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -1.336 -1.442 -5.663 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -1.059 -5.137 -3.962 1.00 1.00 H new ATOM 0 HD12 ILE A 71 0.313 -4.805 -5.045 1.00 1.00 H new ATOM 0 HD13 ILE A 71 -0.451 -3.475 -4.143 1.00 1.00 H new ATOM 1045 N ASN A 72 -2.490 -0.514 -8.390 1.00 1.00 N ATOM 1046 CA ASN A 72 -2.168 0.785 -8.975 1.00 1.00 C ATOM 1047 C ASN A 72 -1.756 1.749 -7.835 1.00 1.00 C ATOM 1048 O ASN A 72 -2.014 1.458 -6.666 1.00 1.00 O ATOM 1049 CB ASN A 72 -3.405 1.248 -9.769 1.00 1.00 C ATOM 1050 CG ASN A 72 -3.203 2.580 -10.467 1.00 1.00 C ATOM 1051 OD1 ASN A 72 -3.663 3.621 -10.022 1.00 1.00 O ATOM 1052 ND2 ASN A 72 -2.475 2.601 -11.561 1.00 1.00 N ATOM 0 H ASN A 72 -3.101 -0.420 -7.578 1.00 1.00 H new ATOM 0 HA ASN A 72 -1.326 0.748 -9.666 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -3.657 0.491 -10.511 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.255 1.325 -9.092 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -2.295 3.485 -12.037 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -2.090 1.733 -11.934 1.00 1.00 H new ATOM 1059 N ASN A 73 -1.097 2.870 -8.151 1.00 1.00 N ATOM 1060 CA ASN A 73 -0.512 3.815 -7.184 1.00 1.00 C ATOM 1061 C ASN A 73 -1.487 4.259 -6.064 1.00 1.00 C ATOM 1062 O ASN A 73 -2.332 5.133 -6.270 1.00 1.00 O ATOM 1063 CB ASN A 73 0.061 5.011 -7.968 1.00 1.00 C ATOM 1064 CG ASN A 73 0.759 6.032 -7.077 1.00 1.00 C ATOM 1065 OD1 ASN A 73 1.247 5.733 -5.995 1.00 1.00 O ATOM 1066 ND2 ASN A 73 0.831 7.273 -7.501 1.00 1.00 N ATOM 0 H ASN A 73 -0.950 3.157 -9.119 1.00 1.00 H new ATOM 0 HA ASN A 73 0.285 3.302 -6.645 1.00 1.00 H new ATOM 0 HB2 ASN A 73 0.768 4.644 -8.713 1.00 1.00 H new ATOM 0 HB3 ASN A 73 -0.747 5.503 -8.510 1.00 1.00 H new ATOM 0 HD21 ASN A 73 1.292 7.981 -6.930 1.00 1.00 H new ATOM 0 HD22 ASN A 73 0.426 7.528 -8.402 1.00 1.00 H new ATOM 1073 N GLY A 74 -1.376 3.641 -4.882 1.00 1.00 N ATOM 1074 CA GLY A 74 -2.253 3.849 -3.721 1.00 1.00 C ATOM 1075 C GLY A 74 -3.708 3.379 -3.891 1.00 1.00 C ATOM 1076 O GLY A 74 -4.544 3.697 -3.045 1.00 1.00 O ATOM 0 H GLY A 74 -0.644 2.955 -4.700 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -1.821 3.331 -2.865 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -2.260 4.912 -3.480 1.00 1.00 H new ATOM 1080 N VAL A 75 -4.010 2.623 -4.953 1.00 1.00 N ATOM 1081 CA VAL A 75 -5.346 2.128 -5.333 1.00 1.00 C ATOM 1082 C VAL A 75 -5.235 0.642 -5.684 1.00 1.00 C ATOM 1083 O VAL A 75 -4.942 0.253 -6.814 1.00 1.00 O ATOM 1084 CB VAL A 75 -5.977 2.942 -6.484 1.00 1.00 C ATOM 1085 CG1 VAL A 75 -7.415 2.473 -6.753 1.00 1.00 C ATOM 1086 CG2 VAL A 75 -6.042 4.443 -6.173 1.00 1.00 C ATOM 0 H VAL A 75 -3.291 2.321 -5.610 1.00 1.00 H new ATOM 0 HA VAL A 75 -6.020 2.256 -4.486 1.00 1.00 H new ATOM 0 HB VAL A 75 -5.337 2.778 -7.351 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -7.842 3.058 -7.567 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -7.408 1.419 -7.029 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -8.016 2.609 -5.854 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -6.494 4.970 -7.014 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -6.644 4.604 -5.279 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -5.035 4.824 -6.005 1.00 1.00 H new ATOM 1096 N LEU A 76 -5.396 -0.202 -4.669 1.00 1.00 N ATOM 1097 CA LEU A 76 -5.295 -1.657 -4.771 1.00 1.00 C ATOM 1098 C LEU A 76 -6.585 -2.246 -5.376 1.00 1.00 C ATOM 1099 O LEU A 76 -7.683 -1.754 -5.121 1.00 1.00 O ATOM 1100 CB LEU A 76 -5.047 -2.204 -3.348 1.00 1.00 C ATOM 1101 CG LEU A 76 -3.590 -2.106 -2.841 1.00 1.00 C ATOM 1102 CD1 LEU A 76 -2.962 -0.709 -2.902 1.00 1.00 C ATOM 1103 CD2 LEU A 76 -3.533 -2.576 -1.387 1.00 1.00 C ATOM 0 H LEU A 76 -5.607 0.116 -3.723 1.00 1.00 H new ATOM 0 HA LEU A 76 -4.475 -1.942 -5.430 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -5.692 -1.666 -2.653 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -5.353 -3.250 -3.321 1.00 1.00 H new ATOM 0 HG LEU A 76 -3.013 -2.735 -3.519 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -1.941 -0.752 -2.523 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -2.952 -0.359 -3.934 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -3.546 -0.020 -2.292 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -2.508 -2.509 -1.023 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -4.177 -1.945 -0.775 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -3.874 -3.610 -1.325 1.00 1.00 H new ATOM 1115 N SER A 77 -6.476 -3.354 -6.103 1.00 1.00 N ATOM 1116 CA SER A 77 -7.616 -4.128 -6.615 1.00 1.00 C ATOM 1117 C SER A 77 -7.709 -5.431 -5.834 1.00 1.00 C ATOM 1118 O SER A 77 -6.762 -6.221 -5.812 1.00 1.00 O ATOM 1119 CB SER A 77 -7.477 -4.437 -8.107 1.00 1.00 C ATOM 1120 OG SER A 77 -7.255 -3.255 -8.861 1.00 1.00 O ATOM 0 H SER A 77 -5.574 -3.753 -6.362 1.00 1.00 H new ATOM 0 HA SER A 77 -8.519 -3.532 -6.487 1.00 1.00 H new ATOM 0 HB2 SER A 77 -6.650 -5.130 -8.261 1.00 1.00 H new ATOM 0 HB3 SER A 77 -8.380 -4.934 -8.463 1.00 1.00 H new ATOM 0 HG SER A 77 -7.168 -3.484 -9.810 1.00 1.00 H new ATOM 1126 N VAL A 78 -8.845 -5.661 -5.175 1.00 1.00 N ATOM 1127 CA VAL A 78 -9.007 -6.751 -4.201 1.00 1.00 C ATOM 1128 C VAL A 78 -10.263 -7.587 -4.455 1.00 1.00 C ATOM 1129 O VAL A 78 -11.186 -7.161 -5.151 1.00 1.00 O ATOM 1130 CB VAL A 78 -8.963 -6.210 -2.750 1.00 1.00 C ATOM 1131 CG1 VAL A 78 -7.808 -5.229 -2.503 1.00 1.00 C ATOM 1132 CG2 VAL A 78 -10.247 -5.498 -2.317 1.00 1.00 C ATOM 0 H VAL A 78 -9.685 -5.096 -5.299 1.00 1.00 H new ATOM 0 HA VAL A 78 -8.161 -7.425 -4.335 1.00 1.00 H new ATOM 0 HB VAL A 78 -8.825 -7.115 -2.159 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -7.835 -4.888 -1.468 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -6.859 -5.729 -2.696 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -7.909 -4.373 -3.170 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -10.140 -5.147 -1.290 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -10.431 -4.648 -2.974 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -11.086 -6.191 -2.378 1.00 1.00 H new ATOM 1142 N THR A 79 -10.309 -8.781 -3.868 1.00 1.00 N ATOM 1143 CA THR A 79 -11.472 -9.689 -3.905 1.00 1.00 C ATOM 1144 C THR A 79 -11.624 -10.423 -2.561 1.00 1.00 C ATOM 1145 O THR A 79 -10.605 -10.760 -1.949 1.00 1.00 O ATOM 1146 CB THR A 79 -11.338 -10.669 -5.088 1.00 1.00 C ATOM 1147 OG1 THR A 79 -12.453 -11.527 -5.135 1.00 1.00 O ATOM 1148 CG2 THR A 79 -10.090 -11.555 -5.041 1.00 1.00 C ATOM 0 H THR A 79 -9.524 -9.161 -3.339 1.00 1.00 H new ATOM 0 HA THR A 79 -12.381 -9.107 -4.059 1.00 1.00 H new ATOM 0 HB THR A 79 -11.264 -10.032 -5.969 1.00 1.00 H new ATOM 0 HG1 THR A 79 -12.359 -12.144 -5.890 1.00 1.00 H new ATOM 0 HG21 THR A 79 -10.077 -12.212 -5.911 1.00 1.00 H new ATOM 0 HG22 THR A 79 -9.198 -10.928 -5.047 1.00 1.00 H new ATOM 0 HG23 THR A 79 -10.105 -12.156 -4.132 1.00 1.00 H new ATOM 1156 N PRO A 80 -12.847 -10.645 -2.032 1.00 1.00 N ATOM 1157 CA PRO A 80 -13.061 -11.278 -0.728 1.00 1.00 C ATOM 1158 C PRO A 80 -12.732 -12.779 -0.732 1.00 1.00 C ATOM 1159 O PRO A 80 -13.572 -13.635 -1.019 1.00 1.00 O ATOM 1160 CB PRO A 80 -14.505 -10.960 -0.344 1.00 1.00 C ATOM 1161 CG PRO A 80 -15.209 -10.830 -1.693 1.00 1.00 C ATOM 1162 CD PRO A 80 -14.129 -10.220 -2.588 1.00 1.00 C ATOM 0 HA PRO A 80 -12.376 -10.884 0.023 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -14.943 -11.752 0.263 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -14.573 -10.039 0.235 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -15.545 -11.797 -2.068 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -16.089 -10.190 -1.629 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -14.239 -10.561 -3.617 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -14.205 -9.133 -2.603 1.00 1.00 H new ATOM 1170 N HIS A 81 -11.477 -13.092 -0.404 1.00 1.00 N ATOM 1171 CA HIS A 81 -10.963 -14.455 -0.265 1.00 1.00 C ATOM 1172 C HIS A 81 -11.618 -15.200 0.917 1.00 1.00 C ATOM 1173 O HIS A 81 -11.902 -16.393 0.806 1.00 1.00 O ATOM 1174 CB HIS A 81 -9.436 -14.377 -0.102 1.00 1.00 C ATOM 1175 CG HIS A 81 -8.695 -15.700 -0.096 1.00 1.00 C ATOM 1176 ND1 HIS A 81 -9.237 -16.966 -0.017 1.00 1.00 N ATOM 1177 CD2 HIS A 81 -7.336 -15.863 -0.162 1.00 1.00 C ATOM 1178 CE1 HIS A 81 -8.238 -17.863 -0.040 1.00 1.00 C ATOM 1179 NE2 HIS A 81 -7.053 -17.235 -0.127 1.00 1.00 N ATOM 0 H HIS A 81 -10.768 -12.381 -0.222 1.00 1.00 H new ATOM 0 HA HIS A 81 -11.213 -15.029 -1.158 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -9.036 -13.764 -0.910 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -9.217 -13.857 0.831 1.00 1.00 H new ATOM 0 HD1 HIS A 81 -10.231 -17.184 0.048 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -6.607 -15.069 -0.230 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -8.368 -18.934 0.005 1.00 1.00 H new ATOM 1187 N GLU A 82 -11.859 -14.498 2.034 1.00 1.00 N ATOM 1188 CA GLU A 82 -12.395 -15.023 3.307 1.00 1.00 C ATOM 1189 C GLU A 82 -11.917 -16.454 3.689 1.00 1.00 C ATOM 1190 O GLU A 82 -12.746 -17.354 3.881 1.00 1.00 O ATOM 1191 CB GLU A 82 -13.929 -14.868 3.329 1.00 1.00 C ATOM 1192 CG GLU A 82 -14.369 -13.396 3.283 1.00 1.00 C ATOM 1193 CD GLU A 82 -15.896 -13.279 3.379 1.00 1.00 C ATOM 1194 OE1 GLU A 82 -16.442 -13.533 4.481 1.00 1.00 O ATOM 1195 OE2 GLU A 82 -16.530 -12.945 2.349 1.00 1.00 O ATOM 0 H GLU A 82 -11.677 -13.495 2.080 1.00 1.00 H new ATOM 0 HA GLU A 82 -11.966 -14.411 4.101 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -14.358 -15.399 2.479 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -14.326 -15.335 4.230 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -13.906 -12.848 4.103 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -14.022 -12.937 2.357 1.00 1.00 H new ATOM 1202 N PRO A 83 -10.592 -16.703 3.786 1.00 1.00 N ATOM 1203 CA PRO A 83 -10.047 -18.016 4.143 1.00 1.00 C ATOM 1204 C PRO A 83 -10.340 -18.400 5.606 1.00 1.00 C ATOM 1205 O PRO A 83 -10.563 -17.540 6.463 1.00 1.00 O ATOM 1206 CB PRO A 83 -8.541 -17.913 3.876 1.00 1.00 C ATOM 1207 CG PRO A 83 -8.238 -16.436 4.118 1.00 1.00 C ATOM 1208 CD PRO A 83 -9.509 -15.736 3.641 1.00 1.00 C ATOM 0 HA PRO A 83 -10.513 -18.806 3.554 1.00 1.00 H new ATOM 0 HB2 PRO A 83 -7.969 -18.555 4.546 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -8.292 -18.213 2.858 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -8.037 -16.233 5.170 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -7.363 -16.107 3.557 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -9.705 -14.842 4.233 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -9.410 -15.416 2.604 1.00 1.00 H new ATOM 1216 N ILE A 84 -10.286 -19.706 5.897 1.00 1.00 N ATOM 1217 CA ILE A 84 -10.585 -20.317 7.207 1.00 1.00 C ATOM 1218 C ILE A 84 -9.501 -21.346 7.566 1.00 1.00 C ATOM 1219 O ILE A 84 -9.090 -22.162 6.728 1.00 1.00 O ATOM 1220 CB ILE A 84 -11.992 -20.971 7.202 1.00 1.00 C ATOM 1221 CG1 ILE A 84 -13.146 -19.988 6.880 1.00 1.00 C ATOM 1222 CG2 ILE A 84 -12.283 -21.695 8.531 1.00 1.00 C ATOM 1223 CD1 ILE A 84 -13.410 -18.895 7.927 1.00 1.00 C ATOM 0 H ILE A 84 -10.021 -20.400 5.198 1.00 1.00 H new ATOM 0 HA ILE A 84 -10.586 -19.535 7.966 1.00 1.00 H new ATOM 0 HB ILE A 84 -11.959 -21.696 6.389 1.00 1.00 H new ATOM 0 HG12 ILE A 84 -12.931 -19.506 5.926 1.00 1.00 H new ATOM 0 HG13 ILE A 84 -14.061 -20.564 6.746 1.00 1.00 H new ATOM 0 HG21 ILE A 84 -13.277 -22.141 8.492 1.00 1.00 H new ATOM 0 HG22 ILE A 84 -11.540 -22.477 8.690 1.00 1.00 H new ATOM 0 HG23 ILE A 84 -12.238 -20.980 9.352 1.00 1.00 H new ATOM 0 HD11 ILE A 84 -14.237 -18.267 7.597 1.00 1.00 H new ATOM 0 HD12 ILE A 84 -13.664 -19.358 8.880 1.00 1.00 H new ATOM 0 HD13 ILE A 84 -12.516 -18.283 8.048 1.00 1.00 H new TER 1235 ILE A 84