USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=21 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 Set 1.1: A 59 GLN : amide:sc= 0.0601 X(o=0.11,f=0) USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0.0541 USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.0178 (180deg=-0.0178) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= 0.804 K(o=0.8,f=-2.5!) USER MOD Single : A 4 MET CE :methyl -177:sc= 0 (180deg=-0.0157) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 73:sc= 0.847 USER MOD Single : A 12 SER OG : rot 74:sc= 0.927 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -111:sc= 0.0297 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 148:sc= 0.353 USER MOD Single : A 47 THR OG1 : rot -74:sc= 0.995 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 159:sc= 0.583 (180deg=0.352) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 108:sc= 0.588 USER MOD Single : A 57 ASN : amide:sc= 0.437 X(o=0.44,f=0) USER MOD Single : A 58 GLN : amide:sc= 0.781 K(o=0.78,f=-0.036) 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= 0.209 X(o=0.21,f=0) USER MOD Single : A 73 ASN : amide:sc= 0.774 K(o=0.77,f=-1.2) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0146 USER MOD Single : A 81 HIS : no HE2:sc= 0.347 K(o=0.35,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.254 20.138 -12.033 1.00 1.00 N ATOM 2 CA GLY A 1 13.818 18.781 -12.380 1.00 1.00 C ATOM 3 C GLY A 1 13.402 17.912 -11.184 1.00 1.00 C ATOM 4 O GLY A 1 13.109 16.727 -11.357 1.00 1.00 O ATOM 0 H1 GLY A 1 14.515 20.651 -12.899 1.00 1.00 H new ATOM 0 H2 GLY A 1 13.479 20.640 -11.554 1.00 1.00 H new ATOM 0 H3 GLY A 1 15.077 20.087 -11.400 1.00 1.00 H new ATOM 0 HA2 GLY A 1 12.977 18.850 -13.071 1.00 1.00 H new ATOM 0 HA3 GLY A 1 14.627 18.280 -12.911 1.00 1.00 H new ATOM 8 N SER A 2 13.362 18.477 -9.973 1.00 1.00 N ATOM 9 CA SER A 2 13.059 17.771 -8.715 1.00 1.00 C ATOM 10 C SER A 2 11.744 16.980 -8.730 1.00 1.00 C ATOM 11 O SER A 2 11.690 15.879 -8.183 1.00 1.00 O ATOM 12 CB SER A 2 13.068 18.759 -7.542 1.00 1.00 C ATOM 13 OG SER A 2 12.144 19.815 -7.762 1.00 1.00 O ATOM 0 H SER A 2 13.545 19.471 -9.832 1.00 1.00 H new ATOM 0 HA SER A 2 13.848 17.028 -8.595 1.00 1.00 H new ATOM 0 HB2 SER A 2 12.816 18.236 -6.619 1.00 1.00 H new ATOM 0 HB3 SER A 2 14.070 19.168 -7.413 1.00 1.00 H new ATOM 0 HG SER A 2 12.165 20.432 -7.001 1.00 1.00 H new ATOM 19 N HIS A 3 10.704 17.467 -9.413 1.00 1.00 N ATOM 20 CA HIS A 3 9.426 16.754 -9.550 1.00 1.00 C ATOM 21 C HIS A 3 9.543 15.417 -10.306 1.00 1.00 C ATOM 22 O HIS A 3 8.794 14.483 -10.016 1.00 1.00 O ATOM 23 CB HIS A 3 8.390 17.678 -10.201 1.00 1.00 C ATOM 24 CG HIS A 3 8.107 18.936 -9.412 1.00 1.00 C ATOM 25 ND1 HIS A 3 8.201 19.102 -8.046 1.00 1.00 N ATOM 26 CD2 HIS A 3 7.691 20.133 -9.931 1.00 1.00 C ATOM 27 CE1 HIS A 3 7.859 20.367 -7.749 1.00 1.00 C ATOM 28 NE2 HIS A 3 7.535 21.039 -8.871 1.00 1.00 N ATOM 0 H HIS A 3 10.722 18.369 -9.889 1.00 1.00 H new ATOM 0 HA HIS A 3 9.097 16.486 -8.546 1.00 1.00 H new ATOM 0 HB2 HIS A 3 8.740 17.956 -11.195 1.00 1.00 H new ATOM 0 HB3 HIS A 3 7.459 17.127 -10.333 1.00 1.00 H new ATOM 0 HD1 HIS A 3 8.482 18.387 -7.376 1.00 1.00 H new ATOM 0 HD2 HIS A 3 7.514 20.343 -10.975 1.00 1.00 H new ATOM 0 HE1 HIS A 3 7.846 20.785 -6.753 1.00 1.00 H new ATOM 36 N MET A 4 10.511 15.274 -11.221 1.00 1.00 N ATOM 37 CA MET A 4 10.806 13.996 -11.886 1.00 1.00 C ATOM 38 C MET A 4 11.497 13.005 -10.939 1.00 1.00 C ATOM 39 O MET A 4 11.228 11.806 -10.998 1.00 1.00 O ATOM 40 CB MET A 4 11.679 14.217 -13.134 1.00 1.00 C ATOM 41 CG MET A 4 11.055 15.178 -14.157 1.00 1.00 C ATOM 42 SD MET A 4 9.396 14.746 -14.761 1.00 1.00 S ATOM 43 CE MET A 4 9.795 13.261 -15.720 1.00 1.00 C ATOM 0 H MET A 4 11.112 16.041 -11.522 1.00 1.00 H new ATOM 0 HA MET A 4 9.851 13.567 -12.188 1.00 1.00 H new ATOM 0 HB2 MET A 4 12.648 14.608 -12.825 1.00 1.00 H new ATOM 0 HB3 MET A 4 11.861 13.256 -13.615 1.00 1.00 H new ATOM 0 HG2 MET A 4 11.008 16.171 -13.709 1.00 1.00 H new ATOM 0 HG3 MET A 4 11.724 15.246 -15.015 1.00 1.00 H new ATOM 0 HE1 MET A 4 8.894 12.891 -16.209 1.00 1.00 H new ATOM 0 HE2 MET A 4 10.543 13.505 -16.474 1.00 1.00 H new ATOM 0 HE3 MET A 4 10.189 12.493 -15.054 1.00 1.00 H new ATOM 53 N LEU A 5 12.342 13.497 -10.025 1.00 1.00 N ATOM 54 CA LEU A 5 12.969 12.686 -8.973 1.00 1.00 C ATOM 55 C LEU A 5 11.941 12.238 -7.921 1.00 1.00 C ATOM 56 O LEU A 5 11.950 11.081 -7.503 1.00 1.00 O ATOM 57 CB LEU A 5 14.127 13.468 -8.319 1.00 1.00 C ATOM 58 CG LEU A 5 15.229 13.926 -9.294 1.00 1.00 C ATOM 59 CD1 LEU A 5 16.270 14.760 -8.545 1.00 1.00 C ATOM 60 CD2 LEU A 5 15.949 12.752 -9.962 1.00 1.00 C ATOM 0 H LEU A 5 12.613 14.480 -9.994 1.00 1.00 H new ATOM 0 HA LEU A 5 13.374 11.785 -9.433 1.00 1.00 H new ATOM 0 HB2 LEU A 5 13.717 14.345 -7.818 1.00 1.00 H new ATOM 0 HB3 LEU A 5 14.579 12.843 -7.549 1.00 1.00 H new ATOM 0 HG LEU A 5 14.736 14.513 -10.069 1.00 1.00 H new ATOM 0 HD11 LEU A 5 17.047 15.081 -9.239 1.00 1.00 H new ATOM 0 HD12 LEU A 5 15.789 15.635 -8.108 1.00 1.00 H new ATOM 0 HD13 LEU A 5 16.717 14.159 -7.753 1.00 1.00 H new ATOM 0 HD21 LEU A 5 16.715 13.132 -10.638 1.00 1.00 H new ATOM 0 HD22 LEU A 5 16.416 12.129 -9.199 1.00 1.00 H new ATOM 0 HD23 LEU A 5 15.230 12.157 -10.526 1.00 1.00 H new ATOM 72 N GLU A 6 11.005 13.115 -7.543 1.00 1.00 N ATOM 73 CA GLU A 6 9.864 12.774 -6.677 1.00 1.00 C ATOM 74 C GLU A 6 8.932 11.741 -7.332 1.00 1.00 C ATOM 75 O GLU A 6 8.521 10.778 -6.681 1.00 1.00 O ATOM 76 CB GLU A 6 9.069 14.041 -6.317 1.00 1.00 C ATOM 77 CG GLU A 6 9.836 14.984 -5.381 1.00 1.00 C ATOM 78 CD GLU A 6 9.043 16.273 -5.126 1.00 1.00 C ATOM 79 OE1 GLU A 6 8.999 17.132 -6.042 1.00 1.00 O ATOM 80 OE2 GLU A 6 8.471 16.405 -4.017 1.00 1.00 O ATOM 0 H GLU A 6 11.016 14.093 -7.831 1.00 1.00 H new ATOM 0 HA GLU A 6 10.269 12.328 -5.769 1.00 1.00 H new ATOM 0 HB2 GLU A 6 8.813 14.575 -7.232 1.00 1.00 H new ATOM 0 HB3 GLU A 6 8.131 13.752 -5.844 1.00 1.00 H new ATOM 0 HG2 GLU A 6 10.033 14.481 -4.434 1.00 1.00 H new ATOM 0 HG3 GLU A 6 10.804 15.229 -5.819 1.00 1.00 H new ATOM 87 N SER A 7 8.644 11.885 -8.631 1.00 1.00 N ATOM 88 CA SER A 7 7.898 10.889 -9.414 1.00 1.00 C ATOM 89 C SER A 7 8.627 9.538 -9.468 1.00 1.00 C ATOM 90 O SER A 7 8.014 8.489 -9.265 1.00 1.00 O ATOM 91 CB SER A 7 7.649 11.429 -10.829 1.00 1.00 C ATOM 92 OG SER A 7 6.800 10.555 -11.555 1.00 1.00 O ATOM 0 H SER A 7 8.924 12.702 -9.174 1.00 1.00 H new ATOM 0 HA SER A 7 6.943 10.714 -8.919 1.00 1.00 H new ATOM 0 HB2 SER A 7 7.197 12.419 -10.772 1.00 1.00 H new ATOM 0 HB3 SER A 7 8.598 11.542 -11.353 1.00 1.00 H new ATOM 0 HG SER A 7 6.651 10.916 -12.454 1.00 1.00 H new ATOM 98 N SER A 8 9.954 9.549 -9.648 1.00 1.00 N ATOM 99 CA SER A 8 10.787 8.335 -9.636 1.00 1.00 C ATOM 100 C SER A 8 10.794 7.641 -8.267 1.00 1.00 C ATOM 101 O SER A 8 10.713 6.414 -8.200 1.00 1.00 O ATOM 102 CB SER A 8 12.231 8.651 -10.052 1.00 1.00 C ATOM 103 OG SER A 8 12.281 9.173 -11.371 1.00 1.00 O ATOM 0 H SER A 8 10.485 10.405 -9.807 1.00 1.00 H new ATOM 0 HA SER A 8 10.340 7.653 -10.359 1.00 1.00 H new ATOM 0 HB2 SER A 8 12.664 9.370 -9.357 1.00 1.00 H new ATOM 0 HB3 SER A 8 12.836 7.746 -9.993 1.00 1.00 H new ATOM 0 HG SER A 8 11.937 10.091 -11.373 1.00 1.00 H new ATOM 109 N ALA A 9 10.834 8.404 -7.170 1.00 1.00 N ATOM 110 CA ALA A 9 10.714 7.878 -5.810 1.00 1.00 C ATOM 111 C ALA A 9 9.318 7.285 -5.529 1.00 1.00 C ATOM 112 O ALA A 9 9.208 6.222 -4.915 1.00 1.00 O ATOM 113 CB ALA A 9 11.057 8.997 -4.820 1.00 1.00 C ATOM 0 H ALA A 9 10.952 9.417 -7.204 1.00 1.00 H new ATOM 0 HA ALA A 9 11.416 7.052 -5.691 1.00 1.00 H new ATOM 0 HB1 ALA A 9 10.972 8.620 -3.801 1.00 1.00 H new ATOM 0 HB2 ALA A 9 12.077 9.339 -4.996 1.00 1.00 H new ATOM 0 HB3 ALA A 9 10.366 9.829 -4.958 1.00 1.00 H new ATOM 119 N GLU A 10 8.247 7.924 -6.013 1.00 1.00 N ATOM 120 CA GLU A 10 6.878 7.408 -5.900 1.00 1.00 C ATOM 121 C GLU A 10 6.683 6.105 -6.694 1.00 1.00 C ATOM 122 O GLU A 10 6.110 5.147 -6.177 1.00 1.00 O ATOM 123 CB GLU A 10 5.878 8.490 -6.341 1.00 1.00 C ATOM 124 CG GLU A 10 4.428 8.081 -6.053 1.00 1.00 C ATOM 125 CD GLU A 10 3.441 9.171 -6.487 1.00 1.00 C ATOM 126 OE1 GLU A 10 3.310 10.178 -5.750 1.00 1.00 O ATOM 127 OE2 GLU A 10 2.809 8.997 -7.558 1.00 1.00 O ATOM 0 H GLU A 10 8.306 8.820 -6.497 1.00 1.00 H new ATOM 0 HA GLU A 10 6.693 7.161 -4.855 1.00 1.00 H new ATOM 0 HB2 GLU A 10 6.101 9.423 -5.824 1.00 1.00 H new ATOM 0 HB3 GLU A 10 5.996 8.680 -7.408 1.00 1.00 H new ATOM 0 HG2 GLU A 10 4.200 7.152 -6.576 1.00 1.00 H new ATOM 0 HG3 GLU A 10 4.309 7.884 -4.988 1.00 1.00 H new ATOM 134 N GLU A 11 7.211 6.017 -7.919 1.00 1.00 N ATOM 135 CA GLU A 11 7.219 4.768 -8.691 1.00 1.00 C ATOM 136 C GLU A 11 8.077 3.678 -8.028 1.00 1.00 C ATOM 137 O GLU A 11 7.678 2.515 -8.012 1.00 1.00 O ATOM 138 CB GLU A 11 7.697 5.024 -10.131 1.00 1.00 C ATOM 139 CG GLU A 11 6.682 5.799 -10.986 1.00 1.00 C ATOM 140 CD GLU A 11 5.432 4.964 -11.297 1.00 1.00 C ATOM 141 OE1 GLU A 11 5.449 4.234 -12.317 1.00 1.00 O ATOM 142 OE2 GLU A 11 4.452 5.052 -10.518 1.00 1.00 O ATOM 0 H GLU A 11 7.643 6.805 -8.402 1.00 1.00 H new ATOM 0 HA GLU A 11 6.193 4.402 -8.716 1.00 1.00 H new ATOM 0 HB2 GLU A 11 8.634 5.580 -10.101 1.00 1.00 H new ATOM 0 HB3 GLU A 11 7.909 4.068 -10.610 1.00 1.00 H new ATOM 0 HG2 GLU A 11 6.388 6.709 -10.463 1.00 1.00 H new ATOM 0 HG3 GLU A 11 7.154 6.106 -11.919 1.00 1.00 H new ATOM 149 N SER A 12 9.203 4.041 -7.404 1.00 1.00 N ATOM 150 CA SER A 12 10.023 3.097 -6.629 1.00 1.00 C ATOM 151 C SER A 12 9.263 2.525 -5.425 1.00 1.00 C ATOM 152 O SER A 12 9.361 1.329 -5.149 1.00 1.00 O ATOM 153 CB SER A 12 11.331 3.742 -6.154 1.00 1.00 C ATOM 154 OG SER A 12 12.129 4.146 -7.254 1.00 1.00 O ATOM 0 H SER A 12 9.572 4.992 -7.420 1.00 1.00 H new ATOM 0 HA SER A 12 10.261 2.276 -7.305 1.00 1.00 H new ATOM 0 HB2 SER A 12 11.108 4.605 -5.526 1.00 1.00 H new ATOM 0 HB3 SER A 12 11.886 3.035 -5.538 1.00 1.00 H new ATOM 0 HG SER A 12 11.740 4.947 -7.663 1.00 1.00 H new ATOM 160 N LEU A 13 8.450 3.343 -4.745 1.00 1.00 N ATOM 161 CA LEU A 13 7.534 2.893 -3.692 1.00 1.00 C ATOM 162 C LEU A 13 6.402 2.024 -4.260 1.00 1.00 C ATOM 163 O LEU A 13 6.080 0.996 -3.669 1.00 1.00 O ATOM 164 CB LEU A 13 7.022 4.132 -2.928 1.00 1.00 C ATOM 165 CG LEU A 13 6.089 3.839 -1.732 1.00 1.00 C ATOM 166 CD1 LEU A 13 6.142 5.010 -0.750 1.00 1.00 C ATOM 167 CD2 LEU A 13 4.618 3.668 -2.134 1.00 1.00 C ATOM 0 H LEU A 13 8.410 4.348 -4.913 1.00 1.00 H new ATOM 0 HA LEU A 13 8.061 2.248 -2.989 1.00 1.00 H new ATOM 0 HB2 LEU A 13 7.882 4.695 -2.566 1.00 1.00 H new ATOM 0 HB3 LEU A 13 6.492 4.776 -3.630 1.00 1.00 H new ATOM 0 HG LEU A 13 6.443 2.905 -1.296 1.00 1.00 H new ATOM 0 HD11 LEU A 13 5.485 4.806 0.095 1.00 1.00 H new ATOM 0 HD12 LEU A 13 7.164 5.139 -0.392 1.00 1.00 H new ATOM 0 HD13 LEU A 13 5.816 5.921 -1.252 1.00 1.00 H new ATOM 0 HD21 LEU A 13 4.019 3.465 -1.246 1.00 1.00 H new ATOM 0 HD22 LEU A 13 4.262 4.582 -2.610 1.00 1.00 H new ATOM 0 HD23 LEU A 13 4.526 2.836 -2.832 1.00 1.00 H new ATOM 179 N ALA A 14 5.835 2.369 -5.419 1.00 1.00 N ATOM 180 CA ALA A 14 4.835 1.545 -6.103 1.00 1.00 C ATOM 181 C ALA A 14 5.371 0.135 -6.429 1.00 1.00 C ATOM 182 O ALA A 14 4.641 -0.848 -6.303 1.00 1.00 O ATOM 183 CB ALA A 14 4.315 2.277 -7.346 1.00 1.00 C ATOM 0 H ALA A 14 6.058 3.233 -5.912 1.00 1.00 H new ATOM 0 HA ALA A 14 3.994 1.391 -5.427 1.00 1.00 H new ATOM 0 HB1 ALA A 14 3.572 1.658 -7.849 1.00 1.00 H new ATOM 0 HB2 ALA A 14 3.859 3.221 -7.048 1.00 1.00 H new ATOM 0 HB3 ALA A 14 5.144 2.473 -8.026 1.00 1.00 H new ATOM 189 N TYR A 15 6.655 0.009 -6.785 1.00 1.00 N ATOM 190 CA TYR A 15 7.312 -1.295 -6.966 1.00 1.00 C ATOM 191 C TYR A 15 7.418 -2.113 -5.661 1.00 1.00 C ATOM 192 O TYR A 15 7.406 -3.345 -5.718 1.00 1.00 O ATOM 193 CB TYR A 15 8.700 -1.127 -7.609 1.00 1.00 C ATOM 194 CG TYR A 15 8.760 -0.367 -8.928 1.00 1.00 C ATOM 195 CD1 TYR A 15 7.681 -0.385 -9.837 1.00 1.00 C ATOM 196 CD2 TYR A 15 9.927 0.358 -9.251 1.00 1.00 C ATOM 197 CE1 TYR A 15 7.750 0.351 -11.035 1.00 1.00 C ATOM 198 CE2 TYR A 15 10.001 1.095 -10.448 1.00 1.00 C ATOM 199 CZ TYR A 15 8.906 1.100 -11.342 1.00 1.00 C ATOM 200 OH TYR A 15 8.965 1.812 -12.502 1.00 1.00 O ATOM 0 H TYR A 15 7.269 0.806 -6.956 1.00 1.00 H new ATOM 0 HA TYR A 15 6.671 -1.864 -7.639 1.00 1.00 H new ATOM 0 HB2 TYR A 15 9.346 -0.617 -6.894 1.00 1.00 H new ATOM 0 HB3 TYR A 15 9.122 -2.119 -7.769 1.00 1.00 H new ATOM 0 HD1 TYR A 15 6.799 -0.966 -9.613 1.00 1.00 H new ATOM 0 HD2 TYR A 15 10.769 0.347 -8.575 1.00 1.00 H new ATOM 0 HE1 TYR A 15 6.916 0.342 -11.721 1.00 1.00 H new ATOM 0 HE2 TYR A 15 10.893 1.656 -10.683 1.00 1.00 H new ATOM 0 HH TYR A 15 9.828 2.272 -12.560 1.00 1.00 H new ATOM 210 N ARG A 16 7.471 -1.463 -4.483 1.00 1.00 N ATOM 211 CA ARG A 16 7.357 -2.140 -3.171 1.00 1.00 C ATOM 212 C ARG A 16 5.914 -2.513 -2.852 1.00 1.00 C ATOM 213 O ARG A 16 5.656 -3.619 -2.391 1.00 1.00 O ATOM 214 CB ARG A 16 7.907 -1.274 -2.018 1.00 1.00 C ATOM 215 CG ARG A 16 9.303 -0.661 -2.213 1.00 1.00 C ATOM 216 CD ARG A 16 10.358 -1.616 -2.781 1.00 1.00 C ATOM 217 NE ARG A 16 10.506 -2.832 -1.961 1.00 1.00 N ATOM 218 CZ ARG A 16 11.313 -3.849 -2.217 1.00 1.00 C ATOM 219 NH1 ARG A 16 12.106 -3.877 -3.257 1.00 1.00 N ATOM 220 NH2 ARG A 16 11.342 -4.882 -1.418 1.00 1.00 N ATOM 0 H ARG A 16 7.594 -0.453 -4.411 1.00 1.00 H new ATOM 0 HA ARG A 16 7.958 -3.046 -3.253 1.00 1.00 H new ATOM 0 HB2 ARG A 16 7.202 -0.462 -1.838 1.00 1.00 H new ATOM 0 HB3 ARG A 16 7.928 -1.885 -1.115 1.00 1.00 H new ATOM 0 HG2 ARG A 16 9.216 0.197 -2.879 1.00 1.00 H new ATOM 0 HG3 ARG A 16 9.655 -0.285 -1.252 1.00 1.00 H new ATOM 0 HD2 ARG A 16 10.082 -1.896 -3.798 1.00 1.00 H new ATOM 0 HD3 ARG A 16 11.317 -1.101 -2.841 1.00 1.00 H new ATOM 0 HE ARG A 16 9.934 -2.895 -1.119 1.00 1.00 H new ATOM 0 HH11 ARG A 16 12.119 -3.093 -3.910 1.00 1.00 H new ATOM 0 HH12 ARG A 16 12.712 -4.682 -3.415 1.00 1.00 H new ATOM 0 HH21 ARG A 16 10.741 -4.906 -0.594 1.00 1.00 H new ATOM 0 HH22 ARG A 16 11.965 -5.664 -1.618 1.00 1.00 H new ATOM 234 N GLU A 17 4.968 -1.621 -3.144 1.00 1.00 N ATOM 235 CA GLU A 17 3.529 -1.873 -3.022 1.00 1.00 C ATOM 236 C GLU A 17 3.093 -3.083 -3.855 1.00 1.00 C ATOM 237 O GLU A 17 2.285 -3.876 -3.393 1.00 1.00 O ATOM 238 CB GLU A 17 2.751 -0.600 -3.392 1.00 1.00 C ATOM 239 CG GLU A 17 1.295 -0.630 -2.916 1.00 1.00 C ATOM 240 CD GLU A 17 0.569 0.656 -3.326 1.00 1.00 C ATOM 241 OE1 GLU A 17 0.211 0.783 -4.520 1.00 1.00 O ATOM 242 OE2 GLU A 17 0.376 1.523 -2.443 1.00 1.00 O ATOM 0 H GLU A 17 5.183 -0.682 -3.479 1.00 1.00 H new ATOM 0 HA GLU A 17 3.301 -2.124 -1.986 1.00 1.00 H new ATOM 0 HB2 GLU A 17 3.252 0.265 -2.957 1.00 1.00 H new ATOM 0 HB3 GLU A 17 2.771 -0.470 -4.474 1.00 1.00 H new ATOM 0 HG2 GLU A 17 0.785 -1.494 -3.342 1.00 1.00 H new ATOM 0 HG3 GLU A 17 1.263 -0.743 -1.832 1.00 1.00 H new ATOM 249 N ASP A 18 3.678 -3.294 -5.034 1.00 1.00 N ATOM 250 CA ASP A 18 3.413 -4.466 -5.874 1.00 1.00 C ATOM 251 C ASP A 18 3.764 -5.811 -5.202 1.00 1.00 C ATOM 252 O ASP A 18 3.205 -6.839 -5.581 1.00 1.00 O ATOM 253 CB ASP A 18 4.146 -4.305 -7.212 1.00 1.00 C ATOM 254 CG ASP A 18 3.668 -5.334 -8.238 1.00 1.00 C ATOM 255 OD1 ASP A 18 2.455 -5.305 -8.555 1.00 1.00 O ATOM 256 OD2 ASP A 18 4.508 -6.133 -8.716 1.00 1.00 O ATOM 0 H ASP A 18 4.357 -2.650 -5.439 1.00 1.00 H new ATOM 0 HA ASP A 18 2.336 -4.506 -6.039 1.00 1.00 H new ATOM 0 HB2 ASP A 18 3.982 -3.299 -7.600 1.00 1.00 H new ATOM 0 HB3 ASP A 18 5.219 -4.416 -7.056 1.00 1.00 H new ATOM 261 N ASP A 19 4.625 -5.831 -4.174 1.00 1.00 N ATOM 262 CA ASP A 19 4.846 -7.038 -3.356 1.00 1.00 C ATOM 263 C ASP A 19 3.600 -7.456 -2.549 1.00 1.00 C ATOM 264 O ASP A 19 3.370 -8.647 -2.326 1.00 1.00 O ATOM 265 CB ASP A 19 6.044 -6.836 -2.417 1.00 1.00 C ATOM 266 CG ASP A 19 6.425 -8.136 -1.699 1.00 1.00 C ATOM 267 OD1 ASP A 19 7.054 -9.002 -2.353 1.00 1.00 O ATOM 268 OD2 ASP A 19 6.090 -8.262 -0.497 1.00 1.00 O ATOM 0 H ASP A 19 5.181 -5.026 -3.887 1.00 1.00 H new ATOM 0 HA ASP A 19 5.059 -7.851 -4.050 1.00 1.00 H new ATOM 0 HB2 ASP A 19 6.898 -6.472 -2.989 1.00 1.00 H new ATOM 0 HB3 ASP A 19 5.804 -6.070 -1.680 1.00 1.00 H new ATOM 273 N LEU A 20 2.760 -6.494 -2.144 1.00 1.00 N ATOM 274 CA LEU A 20 1.514 -6.738 -1.411 1.00 1.00 C ATOM 275 C LEU A 20 0.467 -7.480 -2.265 1.00 1.00 C ATOM 276 O LEU A 20 -0.476 -8.048 -1.716 1.00 1.00 O ATOM 277 CB LEU A 20 0.948 -5.416 -0.856 1.00 1.00 C ATOM 278 CG LEU A 20 1.721 -4.779 0.318 1.00 1.00 C ATOM 279 CD1 LEU A 20 3.220 -4.544 0.113 1.00 1.00 C ATOM 280 CD2 LEU A 20 1.088 -3.424 0.644 1.00 1.00 C ATOM 0 H LEU A 20 2.933 -5.505 -2.321 1.00 1.00 H new ATOM 0 HA LEU A 20 1.751 -7.393 -0.573 1.00 1.00 H new ATOM 0 HB2 LEU A 20 0.907 -4.693 -1.671 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -0.078 -5.592 -0.534 1.00 1.00 H new ATOM 0 HG LEU A 20 1.645 -5.514 1.119 1.00 1.00 H new ATOM 0 HD11 LEU A 20 3.644 -4.093 1.010 1.00 1.00 H new ATOM 0 HD12 LEU A 20 3.714 -5.496 -0.082 1.00 1.00 H new ATOM 0 HD13 LEU A 20 3.371 -3.876 -0.735 1.00 1.00 H new ATOM 0 HD21 LEU A 20 1.624 -2.962 1.473 1.00 1.00 H new ATOM 0 HD22 LEU A 20 1.144 -2.776 -0.231 1.00 1.00 H new ATOM 0 HD23 LEU A 20 0.044 -3.568 0.923 1.00 1.00 H new ATOM 292 N ARG A 21 0.656 -7.556 -3.594 1.00 1.00 N ATOM 293 CA ARG A 21 -0.138 -8.407 -4.511 1.00 1.00 C ATOM 294 C ARG A 21 -0.038 -9.917 -4.196 1.00 1.00 C ATOM 295 O ARG A 21 -0.804 -10.717 -4.728 1.00 1.00 O ATOM 296 CB ARG A 21 0.265 -8.110 -5.970 1.00 1.00 C ATOM 297 CG ARG A 21 -0.876 -8.390 -6.966 1.00 1.00 C ATOM 298 CD ARG A 21 -0.390 -8.458 -8.418 1.00 1.00 C ATOM 299 NE ARG A 21 0.047 -7.145 -8.927 1.00 1.00 N ATOM 300 CZ ARG A 21 -0.296 -6.586 -10.075 1.00 1.00 C ATOM 301 NH1 ARG A 21 -1.097 -7.155 -10.937 1.00 1.00 N ATOM 302 NH2 ARG A 21 0.165 -5.407 -10.380 1.00 1.00 N ATOM 0 H ARG A 21 1.378 -7.019 -4.075 1.00 1.00 H new ATOM 0 HA ARG A 21 -1.187 -8.151 -4.361 1.00 1.00 H new ATOM 0 HB2 ARG A 21 0.569 -7.067 -6.054 1.00 1.00 H new ATOM 0 HB3 ARG A 21 1.131 -8.716 -6.235 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -1.358 -9.332 -6.704 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -1.631 -7.609 -6.876 1.00 1.00 H new ATOM 0 HD2 ARG A 21 0.436 -9.165 -8.489 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -1.192 -8.841 -9.049 1.00 1.00 H new ATOM 0 HE ARG A 21 0.680 -6.612 -8.331 1.00 1.00 H new ATOM 0 HH11 ARG A 21 -1.490 -8.075 -10.738 1.00 1.00 H new ATOM 0 HH12 ARG A 21 -1.329 -6.679 -11.809 1.00 1.00 H new ATOM 0 HH21 ARG A 21 0.787 -4.920 -9.735 1.00 1.00 H new ATOM 0 HH22 ARG A 21 -0.096 -4.970 -11.264 1.00 1.00 H new ATOM 316 N GLY A 22 0.884 -10.319 -3.316 1.00 1.00 N ATOM 317 CA GLY A 22 1.012 -11.684 -2.789 1.00 1.00 C ATOM 318 C GLY A 22 0.458 -11.864 -1.367 1.00 1.00 C ATOM 319 O GLY A 22 0.843 -12.822 -0.692 1.00 1.00 O ATOM 0 H GLY A 22 1.586 -9.683 -2.937 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.493 -12.370 -3.459 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.065 -11.967 -2.795 1.00 1.00 H new ATOM 323 N ARG A 23 -0.402 -10.949 -0.885 1.00 1.00 N ATOM 324 CA ARG A 23 -0.858 -10.877 0.519 1.00 1.00 C ATOM 325 C ARG A 23 -2.372 -10.696 0.665 1.00 1.00 C ATOM 326 O ARG A 23 -3.056 -10.187 -0.226 1.00 1.00 O ATOM 327 CB ARG A 23 -0.164 -9.714 1.239 1.00 1.00 C ATOM 328 CG ARG A 23 1.367 -9.747 1.157 1.00 1.00 C ATOM 329 CD ARG A 23 1.897 -8.673 2.103 1.00 1.00 C ATOM 330 NE ARG A 23 3.308 -8.349 1.833 1.00 1.00 N ATOM 331 CZ ARG A 23 4.048 -7.478 2.500 1.00 1.00 C ATOM 332 NH1 ARG A 23 3.609 -6.834 3.549 1.00 1.00 N ATOM 333 NH2 ARG A 23 5.268 -7.229 2.119 1.00 1.00 N ATOM 0 H ARG A 23 -0.810 -10.222 -1.472 1.00 1.00 H new ATOM 0 HA ARG A 23 -0.595 -11.836 0.965 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -0.519 -8.775 0.814 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -0.461 -9.722 2.288 1.00 1.00 H new ATOM 0 HG2 ARG A 23 1.746 -10.729 1.440 1.00 1.00 H new ATOM 0 HG3 ARG A 23 1.701 -9.559 0.137 1.00 1.00 H new ATOM 0 HD2 ARG A 23 1.292 -7.772 2.004 1.00 1.00 H new ATOM 0 HD3 ARG A 23 1.794 -9.014 3.133 1.00 1.00 H new ATOM 0 HE ARG A 23 3.756 -8.841 1.060 1.00 1.00 H new ATOM 0 HH11 ARG A 23 2.659 -6.994 3.885 1.00 1.00 H new ATOM 0 HH12 ARG A 23 4.216 -6.171 4.032 1.00 1.00 H new ATOM 0 HH21 ARG A 23 5.655 -7.706 1.305 1.00 1.00 H new ATOM 0 HH22 ARG A 23 5.836 -6.557 2.635 1.00 1.00 H new ATOM 347 N LEU A 24 -2.871 -11.065 1.845 1.00 1.00 N ATOM 348 CA LEU A 24 -4.242 -10.787 2.284 1.00 1.00 C ATOM 349 C LEU A 24 -4.308 -9.410 2.968 1.00 1.00 C ATOM 350 O LEU A 24 -3.335 -8.921 3.546 1.00 1.00 O ATOM 351 CB LEU A 24 -4.732 -11.866 3.279 1.00 1.00 C ATOM 352 CG LEU A 24 -5.189 -13.236 2.743 1.00 1.00 C ATOM 353 CD1 LEU A 24 -6.284 -13.130 1.685 1.00 1.00 C ATOM 354 CD2 LEU A 24 -4.046 -14.071 2.166 1.00 1.00 C ATOM 0 H LEU A 24 -2.324 -11.576 2.538 1.00 1.00 H new ATOM 0 HA LEU A 24 -4.885 -10.796 1.404 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -3.926 -12.045 3.990 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -5.564 -11.440 3.840 1.00 1.00 H new ATOM 0 HG LEU A 24 -5.588 -13.739 3.624 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -6.562 -14.129 1.348 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -7.156 -12.635 2.112 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -5.917 -12.550 0.838 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -4.436 -15.023 1.806 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -3.584 -13.533 1.339 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -3.302 -14.254 2.941 1.00 1.00 H new ATOM 366 N GLY A 25 -5.503 -8.833 2.972 1.00 1.00 N ATOM 367 CA GLY A 25 -5.859 -7.582 3.631 1.00 1.00 C ATOM 368 C GLY A 25 -7.269 -7.594 4.224 1.00 1.00 C ATOM 369 O GLY A 25 -7.952 -8.620 4.250 1.00 1.00 O ATOM 0 H GLY A 25 -6.297 -9.250 2.487 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -5.140 -7.379 4.424 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -5.780 -6.765 2.913 1.00 1.00 H new ATOM 373 N LYS A 26 -7.698 -6.426 4.698 1.00 1.00 N ATOM 374 CA LYS A 26 -8.891 -6.167 5.499 1.00 1.00 C ATOM 375 C LYS A 26 -9.489 -4.824 5.099 1.00 1.00 C ATOM 376 O LYS A 26 -8.829 -3.789 5.197 1.00 1.00 O ATOM 377 CB LYS A 26 -8.439 -6.171 6.968 1.00 1.00 C ATOM 378 CG LYS A 26 -9.542 -5.943 8.014 1.00 1.00 C ATOM 379 CD LYS A 26 -10.740 -6.900 7.916 1.00 1.00 C ATOM 380 CE LYS A 26 -10.369 -8.389 7.811 1.00 1.00 C ATOM 381 NZ LYS A 26 -9.609 -8.862 8.986 1.00 1.00 N ATOM 0 H LYS A 26 -7.178 -5.568 4.517 1.00 1.00 H new ATOM 0 HA LYS A 26 -9.663 -6.921 5.344 1.00 1.00 H new ATOM 0 HB2 LYS A 26 -7.960 -7.127 7.177 1.00 1.00 H new ATOM 0 HB3 LYS A 26 -7.680 -5.399 7.096 1.00 1.00 H new ATOM 0 HG2 LYS A 26 -9.104 -6.035 9.008 1.00 1.00 H new ATOM 0 HG3 LYS A 26 -9.905 -4.920 7.919 1.00 1.00 H new ATOM 0 HD2 LYS A 26 -11.373 -6.759 8.792 1.00 1.00 H new ATOM 0 HD3 LYS A 26 -11.336 -6.626 7.045 1.00 1.00 H new ATOM 0 HE2 LYS A 26 -11.278 -8.981 7.707 1.00 1.00 H new ATOM 0 HE3 LYS A 26 -9.778 -8.551 6.910 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 -8.629 -9.070 8.705 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 -9.610 -8.125 9.720 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 -10.052 -9.725 9.362 1.00 1.00 H new ATOM 395 N VAL A 27 -10.717 -4.849 4.592 1.00 1.00 N ATOM 396 CA VAL A 27 -11.440 -3.644 4.146 1.00 1.00 C ATOM 397 C VAL A 27 -11.925 -2.829 5.353 1.00 1.00 C ATOM 398 O VAL A 27 -12.673 -3.341 6.188 1.00 1.00 O ATOM 399 CB VAL A 27 -12.593 -4.016 3.187 1.00 1.00 C ATOM 400 CG1 VAL A 27 -13.412 -2.800 2.754 1.00 1.00 C ATOM 401 CG2 VAL A 27 -11.992 -4.644 1.925 1.00 1.00 C ATOM 0 H VAL A 27 -11.251 -5.710 4.474 1.00 1.00 H new ATOM 0 HA VAL A 27 -10.753 -3.011 3.584 1.00 1.00 H new ATOM 0 HB VAL A 27 -13.253 -4.702 3.719 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -14.208 -3.118 2.081 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -13.848 -2.323 3.632 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -12.765 -2.090 2.239 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -12.793 -4.913 1.236 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -11.325 -3.928 1.445 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -11.430 -5.538 2.196 1.00 1.00 H new ATOM 411 N ILE A 28 -11.513 -1.557 5.428 1.00 1.00 N ATOM 412 CA ILE A 28 -11.843 -0.614 6.521 1.00 1.00 C ATOM 413 C ILE A 28 -12.794 0.520 6.091 1.00 1.00 C ATOM 414 O ILE A 28 -13.344 1.219 6.942 1.00 1.00 O ATOM 415 CB ILE A 28 -10.586 -0.049 7.224 1.00 1.00 C ATOM 416 CG1 ILE A 28 -9.672 0.819 6.320 1.00 1.00 C ATOM 417 CG2 ILE A 28 -9.835 -1.174 7.959 1.00 1.00 C ATOM 418 CD1 ILE A 28 -8.545 0.080 5.595 1.00 1.00 C ATOM 0 H ILE A 28 -10.922 -1.136 4.711 1.00 1.00 H new ATOM 0 HA ILE A 28 -12.385 -1.216 7.250 1.00 1.00 H new ATOM 0 HB ILE A 28 -10.938 0.665 7.969 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -10.295 1.311 5.573 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -9.229 1.604 6.933 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -8.953 -0.763 8.449 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -10.490 -1.621 8.707 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -9.530 -1.936 7.242 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -7.973 0.788 4.994 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -7.887 -0.389 6.327 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -8.970 -0.686 4.947 1.00 1.00 H new ATOM 430 N THR A 29 -13.040 0.660 4.786 1.00 1.00 N ATOM 431 CA THR A 29 -14.076 1.524 4.186 1.00 1.00 C ATOM 432 C THR A 29 -14.651 0.746 3.009 1.00 1.00 C ATOM 433 O THR A 29 -13.887 0.282 2.164 1.00 1.00 O ATOM 434 CB THR A 29 -13.516 2.883 3.721 1.00 1.00 C ATOM 435 OG1 THR A 29 -12.947 3.577 4.809 1.00 1.00 O ATOM 436 CG2 THR A 29 -14.594 3.790 3.123 1.00 1.00 C ATOM 0 H THR A 29 -12.502 0.154 4.082 1.00 1.00 H new ATOM 0 HA THR A 29 -14.839 1.762 4.927 1.00 1.00 H new ATOM 0 HB THR A 29 -12.772 2.656 2.957 1.00 1.00 H new ATOM 0 HG1 THR A 29 -12.199 4.125 4.492 1.00 1.00 H new ATOM 0 HG21 THR A 29 -14.145 4.733 2.812 1.00 1.00 H new ATOM 0 HG22 THR A 29 -15.043 3.300 2.259 1.00 1.00 H new ATOM 0 HG23 THR A 29 -15.363 3.983 3.871 1.00 1.00 H new ATOM 444 N ALA A 30 -15.971 0.554 2.974 1.00 1.00 N ATOM 445 CA ALA A 30 -16.652 -0.346 2.042 1.00 1.00 C ATOM 446 C ALA A 30 -16.332 -0.070 0.561 1.00 1.00 C ATOM 447 O ALA A 30 -16.269 1.081 0.123 1.00 1.00 O ATOM 448 CB ALA A 30 -18.160 -0.273 2.309 1.00 1.00 C ATOM 0 H ALA A 30 -16.611 1.032 3.608 1.00 1.00 H new ATOM 0 HA ALA A 30 -16.280 -1.354 2.223 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -18.684 -0.938 1.623 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -18.363 -0.578 3.336 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -18.507 0.749 2.159 1.00 1.00 H new ATOM 454 N VAL A 31 -16.193 -1.146 -0.214 1.00 1.00 N ATOM 455 CA VAL A 31 -15.794 -1.150 -1.628 1.00 1.00 C ATOM 456 C VAL A 31 -16.926 -1.792 -2.446 1.00 1.00 C ATOM 457 O VAL A 31 -17.016 -3.019 -2.493 1.00 1.00 O ATOM 458 CB VAL A 31 -14.468 -1.922 -1.825 1.00 1.00 C ATOM 459 CG1 VAL A 31 -14.016 -1.873 -3.283 1.00 1.00 C ATOM 460 CG2 VAL A 31 -13.308 -1.395 -0.974 1.00 1.00 C ATOM 0 H VAL A 31 -16.363 -2.087 0.142 1.00 1.00 H new ATOM 0 HA VAL A 31 -15.625 -0.128 -1.967 1.00 1.00 H new ATOM 0 HB VAL A 31 -14.696 -2.940 -1.509 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -13.082 -2.423 -3.393 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -14.780 -2.325 -3.916 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -13.863 -0.836 -3.582 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -12.415 -1.988 -1.169 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -13.114 -0.353 -1.228 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -13.569 -1.468 0.082 1.00 1.00 H new ATOM 470 N PRO A 32 -17.855 -1.014 -3.031 1.00 1.00 N ATOM 471 CA PRO A 32 -18.969 -1.570 -3.796 1.00 1.00 C ATOM 472 C PRO A 32 -18.536 -2.074 -5.185 1.00 1.00 C ATOM 473 O PRO A 32 -17.404 -1.862 -5.627 1.00 1.00 O ATOM 474 CB PRO A 32 -20.004 -0.444 -3.867 1.00 1.00 C ATOM 475 CG PRO A 32 -19.130 0.797 -3.889 1.00 1.00 C ATOM 476 CD PRO A 32 -17.959 0.436 -2.973 1.00 1.00 C ATOM 0 HA PRO A 32 -19.383 -2.458 -3.318 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -20.626 -0.519 -4.759 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -20.675 -0.454 -3.008 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -18.791 1.030 -4.899 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -19.668 1.672 -3.524 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -17.037 0.910 -3.309 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -18.139 0.776 -1.953 1.00 1.00 H new ATOM 484 N VAL A 33 -19.473 -2.725 -5.884 1.00 1.00 N ATOM 485 CA VAL A 33 -19.253 -3.480 -7.137 1.00 1.00 C ATOM 486 C VAL A 33 -18.564 -2.708 -8.271 1.00 1.00 C ATOM 487 O VAL A 33 -17.902 -3.315 -9.111 1.00 1.00 O ATOM 488 CB VAL A 33 -20.577 -4.077 -7.663 1.00 1.00 C ATOM 489 CG1 VAL A 33 -21.266 -4.983 -6.634 1.00 1.00 C ATOM 490 CG2 VAL A 33 -21.598 -3.011 -8.088 1.00 1.00 C ATOM 0 H VAL A 33 -20.448 -2.745 -5.585 1.00 1.00 H new ATOM 0 HA VAL A 33 -18.555 -4.265 -6.846 1.00 1.00 H new ATOM 0 HB VAL A 33 -20.273 -4.658 -8.534 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -22.191 -5.375 -7.056 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -20.605 -5.811 -6.377 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -21.492 -4.408 -5.736 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -22.505 -3.498 -8.447 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -21.840 -2.378 -7.234 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -21.175 -2.399 -8.885 1.00 1.00 H new ATOM 500 N ASP A 34 -18.702 -1.381 -8.294 1.00 1.00 N ATOM 501 CA ASP A 34 -18.145 -0.480 -9.314 1.00 1.00 C ATOM 502 C ASP A 34 -17.658 0.845 -8.682 1.00 1.00 C ATOM 503 O ASP A 34 -17.737 1.914 -9.295 1.00 1.00 O ATOM 504 CB ASP A 34 -19.206 -0.281 -10.416 1.00 1.00 C ATOM 505 CG ASP A 34 -18.675 0.459 -11.652 1.00 1.00 C ATOM 506 OD1 ASP A 34 -17.566 0.107 -12.124 1.00 1.00 O ATOM 507 OD2 ASP A 34 -19.394 1.359 -12.152 1.00 1.00 O ATOM 0 H ASP A 34 -19.225 -0.881 -7.575 1.00 1.00 H new ATOM 0 HA ASP A 34 -17.259 -0.920 -9.771 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -19.588 -1.255 -10.722 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -20.047 0.276 -10.003 1.00 1.00 H new ATOM 512 N GLY A 35 -17.194 0.783 -7.427 1.00 1.00 N ATOM 513 CA GLY A 35 -16.800 1.949 -6.622 1.00 1.00 C ATOM 514 C GLY A 35 -15.514 1.750 -5.812 1.00 1.00 C ATOM 515 O GLY A 35 -14.755 0.803 -6.036 1.00 1.00 O ATOM 0 H GLY A 35 -17.079 -0.100 -6.930 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -16.670 2.806 -7.284 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -17.612 2.195 -5.938 1.00 1.00 H new ATOM 519 N PHE A 36 -15.280 2.657 -4.860 1.00 1.00 N ATOM 520 CA PHE A 36 -14.024 2.788 -4.114 1.00 1.00 C ATOM 521 C PHE A 36 -14.251 2.816 -2.594 1.00 1.00 C ATOM 522 O PHE A 36 -15.229 3.386 -2.104 1.00 1.00 O ATOM 523 CB PHE A 36 -13.271 4.069 -4.521 1.00 1.00 C ATOM 524 CG PHE A 36 -13.017 4.287 -6.004 1.00 1.00 C ATOM 525 CD1 PHE A 36 -14.048 4.757 -6.841 1.00 1.00 C ATOM 526 CD2 PHE A 36 -11.733 4.072 -6.541 1.00 1.00 C ATOM 527 CE1 PHE A 36 -13.810 4.969 -8.211 1.00 1.00 C ATOM 528 CE2 PHE A 36 -11.491 4.291 -7.910 1.00 1.00 C ATOM 529 CZ PHE A 36 -12.532 4.732 -8.746 1.00 1.00 C ATOM 0 H PHE A 36 -15.981 3.342 -4.578 1.00 1.00 H new ATOM 0 HA PHE A 36 -13.429 1.910 -4.364 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.833 4.924 -4.146 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.308 4.071 -4.010 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -15.026 4.956 -6.429 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -10.931 3.738 -5.900 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -14.609 5.314 -8.851 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -10.506 4.120 -8.318 1.00 1.00 H new ATOM 0 HZ PHE A 36 -12.350 4.889 -9.799 1.00 1.00 H new ATOM 539 N GLY A 37 -13.302 2.240 -1.861 1.00 1.00 N ATOM 540 CA GLY A 37 -13.191 2.259 -0.400 1.00 1.00 C ATOM 541 C GLY A 37 -11.723 2.161 0.024 1.00 1.00 C ATOM 542 O GLY A 37 -10.854 2.729 -0.639 1.00 1.00 O ATOM 0 H GLY A 37 -12.543 1.715 -2.295 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -13.629 3.177 -0.007 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -13.755 1.429 0.025 1.00 1.00 H new ATOM 546 N GLU A 38 -11.423 1.451 1.113 1.00 1.00 N ATOM 547 CA GLU A 38 -10.067 1.346 1.681 1.00 1.00 C ATOM 548 C GLU A 38 -9.762 -0.050 2.233 1.00 1.00 C ATOM 549 O GLU A 38 -10.636 -0.713 2.794 1.00 1.00 O ATOM 550 CB GLU A 38 -9.875 2.344 2.836 1.00 1.00 C ATOM 551 CG GLU A 38 -9.850 3.807 2.403 1.00 1.00 C ATOM 552 CD GLU A 38 -9.636 4.740 3.599 1.00 1.00 C ATOM 553 OE1 GLU A 38 -8.486 4.811 4.096 1.00 1.00 O ATOM 554 OE2 GLU A 38 -10.625 5.389 4.019 1.00 1.00 O ATOM 0 H GLU A 38 -12.121 0.923 1.637 1.00 1.00 H new ATOM 0 HA GLU A 38 -9.389 1.564 0.856 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -10.679 2.205 3.559 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -8.942 2.113 3.349 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -9.054 3.959 1.674 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -10.788 4.057 1.907 1.00 1.00 H new ATOM 561 N VAL A 39 -8.491 -0.448 2.161 1.00 1.00 N ATOM 562 CA VAL A 39 -7.952 -1.732 2.634 1.00 1.00 C ATOM 563 C VAL A 39 -6.623 -1.531 3.379 1.00 1.00 C ATOM 564 O VAL A 39 -5.868 -0.604 3.089 1.00 1.00 O ATOM 565 CB VAL A 39 -7.815 -2.702 1.439 1.00 1.00 C ATOM 566 CG1 VAL A 39 -6.627 -2.377 0.526 1.00 1.00 C ATOM 567 CG2 VAL A 39 -7.715 -4.162 1.881 1.00 1.00 C ATOM 0 H VAL A 39 -7.769 0.144 1.751 1.00 1.00 H new ATOM 0 HA VAL A 39 -8.643 -2.175 3.352 1.00 1.00 H new ATOM 0 HB VAL A 39 -8.733 -2.561 0.869 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -6.589 -3.096 -0.292 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -6.744 -1.372 0.120 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -5.702 -2.431 1.100 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -7.620 -4.802 1.004 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -6.841 -4.290 2.519 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -8.612 -4.437 2.435 1.00 1.00 H new ATOM 577 N VAL A 40 -6.323 -2.416 4.327 1.00 1.00 N ATOM 578 CA VAL A 40 -5.029 -2.550 5.029 1.00 1.00 C ATOM 579 C VAL A 40 -4.595 -4.014 4.992 1.00 1.00 C ATOM 580 O VAL A 40 -5.442 -4.902 5.006 1.00 1.00 O ATOM 581 CB VAL A 40 -5.104 -2.009 6.475 1.00 1.00 C ATOM 582 CG1 VAL A 40 -6.165 -2.699 7.340 1.00 1.00 C ATOM 583 CG2 VAL A 40 -3.755 -2.044 7.193 1.00 1.00 C ATOM 0 H VAL A 40 -7.007 -3.100 4.650 1.00 1.00 H new ATOM 0 HA VAL A 40 -4.280 -1.944 4.518 1.00 1.00 H new ATOM 0 HB VAL A 40 -5.406 -0.969 6.351 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -6.157 -2.265 8.340 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -7.148 -2.558 6.891 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -5.945 -3.765 7.405 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -3.870 -1.652 8.204 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -3.395 -3.072 7.241 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -3.036 -1.433 6.647 1.00 1.00 H new ATOM 593 N ILE A 41 -3.296 -4.296 4.907 1.00 1.00 N ATOM 594 CA ILE A 41 -2.775 -5.678 4.909 1.00 1.00 C ATOM 595 C ILE A 41 -2.956 -6.308 6.301 1.00 1.00 C ATOM 596 O ILE A 41 -3.033 -5.600 7.302 1.00 1.00 O ATOM 597 CB ILE A 41 -1.307 -5.660 4.426 1.00 1.00 C ATOM 598 CG1 ILE A 41 -1.212 -5.188 2.958 1.00 1.00 C ATOM 599 CG2 ILE A 41 -0.556 -6.995 4.583 1.00 1.00 C ATOM 600 CD1 ILE A 41 -2.016 -5.994 1.927 1.00 1.00 C ATOM 0 H ILE A 41 -2.571 -3.582 4.835 1.00 1.00 H new ATOM 0 HA ILE A 41 -3.336 -6.307 4.218 1.00 1.00 H new ATOM 0 HB ILE A 41 -0.811 -4.951 5.089 1.00 1.00 H new ATOM 0 HG12 ILE A 41 -1.541 -4.150 2.911 1.00 1.00 H new ATOM 0 HG13 ILE A 41 -0.163 -5.204 2.661 1.00 1.00 H new ATOM 0 HG21 ILE A 41 0.465 -6.883 4.217 1.00 1.00 H new ATOM 0 HG22 ILE A 41 -0.536 -7.279 5.635 1.00 1.00 H new ATOM 0 HG23 ILE A 41 -1.065 -7.769 4.008 1.00 1.00 H new ATOM 0 HD11 ILE A 41 -1.868 -5.566 0.935 1.00 1.00 H new ATOM 0 HD12 ILE A 41 -1.676 -7.030 1.930 1.00 1.00 H new ATOM 0 HD13 ILE A 41 -3.075 -5.959 2.183 1.00 1.00 H new ATOM 612 N GLU A 42 -3.054 -7.641 6.378 1.00 1.00 N ATOM 613 CA GLU A 42 -3.425 -8.378 7.609 1.00 1.00 C ATOM 614 C GLU A 42 -2.569 -8.070 8.858 1.00 1.00 C ATOM 615 O GLU A 42 -3.029 -8.276 9.983 1.00 1.00 O ATOM 616 CB GLU A 42 -3.450 -9.893 7.333 1.00 1.00 C ATOM 617 CG GLU A 42 -4.715 -10.359 6.595 1.00 1.00 C ATOM 618 CD GLU A 42 -5.949 -10.370 7.507 1.00 1.00 C ATOM 619 OE1 GLU A 42 -6.622 -9.317 7.598 1.00 1.00 O ATOM 620 OE2 GLU A 42 -6.217 -11.430 8.122 1.00 1.00 O ATOM 0 H GLU A 42 -2.877 -8.253 5.581 1.00 1.00 H new ATOM 0 HA GLU A 42 -4.421 -8.015 7.864 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.574 -10.162 6.742 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -3.373 -10.428 8.279 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -4.900 -9.702 5.745 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -4.552 -11.360 6.195 1.00 1.00 H new ATOM 627 N GLY A 43 -1.362 -7.520 8.692 1.00 1.00 N ATOM 628 CA GLY A 43 -0.528 -6.967 9.767 1.00 1.00 C ATOM 629 C GLY A 43 -0.996 -5.575 10.220 1.00 1.00 C ATOM 630 O GLY A 43 -0.179 -4.658 10.301 1.00 1.00 O ATOM 0 H GLY A 43 -0.923 -7.444 7.775 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -0.542 -7.646 10.619 1.00 1.00 H new ATOM 0 HA3 GLY A 43 0.505 -6.906 9.425 1.00 1.00 H new ATOM 634 N ILE A 44 -2.301 -5.390 10.466 1.00 1.00 N ATOM 635 CA ILE A 44 -3.001 -4.102 10.702 1.00 1.00 C ATOM 636 C ILE A 44 -2.330 -3.147 11.713 1.00 1.00 C ATOM 637 O ILE A 44 -2.500 -1.932 11.614 1.00 1.00 O ATOM 638 CB ILE A 44 -4.493 -4.348 11.048 1.00 1.00 C ATOM 639 CG1 ILE A 44 -4.748 -4.989 12.434 1.00 1.00 C ATOM 640 CG2 ILE A 44 -5.163 -5.222 9.974 1.00 1.00 C ATOM 641 CD1 ILE A 44 -4.947 -3.959 13.553 1.00 1.00 C ATOM 0 H ILE A 44 -2.944 -6.181 10.510 1.00 1.00 H new ATOM 0 HA ILE A 44 -2.928 -3.566 9.756 1.00 1.00 H new ATOM 0 HB ILE A 44 -4.931 -3.350 11.079 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -5.631 -5.626 12.375 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -3.907 -5.633 12.689 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -6.209 -5.382 10.236 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -5.104 -4.721 9.008 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -4.652 -6.183 9.916 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -5.121 -4.476 14.497 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -4.055 -3.338 13.639 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -5.806 -3.330 13.320 1.00 1.00 H new ATOM 653 N GLY A 45 -1.558 -3.675 12.673 1.00 1.00 N ATOM 654 CA GLY A 45 -0.844 -2.908 13.707 1.00 1.00 C ATOM 655 C GLY A 45 0.560 -2.413 13.308 1.00 1.00 C ATOM 656 O GLY A 45 1.188 -1.680 14.075 1.00 1.00 O ATOM 0 H GLY A 45 -1.408 -4.680 12.755 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -1.451 -2.045 13.980 1.00 1.00 H new ATOM 0 HA3 GLY A 45 -0.753 -3.529 14.598 1.00 1.00 H new ATOM 660 N GLY A 46 1.058 -2.802 12.130 1.00 1.00 N ATOM 661 CA GLY A 46 2.403 -2.495 11.616 1.00 1.00 C ATOM 662 C GLY A 46 2.449 -2.280 10.094 1.00 1.00 C ATOM 663 O GLY A 46 3.473 -2.541 9.458 1.00 1.00 O ATOM 0 H GLY A 46 0.513 -3.365 11.477 1.00 1.00 H new ATOM 0 HA2 GLY A 46 2.776 -1.599 12.112 1.00 1.00 H new ATOM 0 HA3 GLY A 46 3.078 -3.310 11.880 1.00 1.00 H new ATOM 667 N THR A 47 1.339 -1.822 9.511 1.00 1.00 N ATOM 668 CA THR A 47 1.118 -1.587 8.070 1.00 1.00 C ATOM 669 C THR A 47 0.393 -0.248 7.838 1.00 1.00 C ATOM 670 O THR A 47 0.078 0.474 8.789 1.00 1.00 O ATOM 671 CB THR A 47 0.308 -2.743 7.448 1.00 1.00 C ATOM 672 OG1 THR A 47 -0.844 -3.001 8.205 1.00 1.00 O ATOM 673 CG2 THR A 47 1.099 -4.048 7.337 1.00 1.00 C ATOM 0 H THR A 47 0.513 -1.588 10.063 1.00 1.00 H new ATOM 0 HA THR A 47 2.093 -1.542 7.584 1.00 1.00 H new ATOM 0 HB THR A 47 0.053 -2.411 6.442 1.00 1.00 H new ATOM 0 HG1 THR A 47 -0.594 -3.456 9.036 1.00 1.00 H new ATOM 0 HG21 THR A 47 0.469 -4.818 6.891 1.00 1.00 H new ATOM 0 HG22 THR A 47 1.977 -3.889 6.710 1.00 1.00 H new ATOM 0 HG23 THR A 47 1.415 -4.367 8.330 1.00 1.00 H new ATOM 681 N ILE A 48 0.139 0.107 6.572 1.00 1.00 N ATOM 682 CA ILE A 48 -0.448 1.392 6.152 1.00 1.00 C ATOM 683 C ILE A 48 -1.638 1.110 5.223 1.00 1.00 C ATOM 684 O ILE A 48 -1.509 0.368 4.246 1.00 1.00 O ATOM 685 CB ILE A 48 0.629 2.276 5.468 1.00 1.00 C ATOM 686 CG1 ILE A 48 1.792 2.587 6.443 1.00 1.00 C ATOM 687 CG2 ILE A 48 0.009 3.583 4.935 1.00 1.00 C ATOM 688 CD1 ILE A 48 2.950 3.387 5.833 1.00 1.00 C ATOM 0 H ILE A 48 0.342 -0.509 5.785 1.00 1.00 H new ATOM 0 HA ILE A 48 -0.809 1.946 7.019 1.00 1.00 H new ATOM 0 HB ILE A 48 1.032 1.717 4.623 1.00 1.00 H new ATOM 0 HG12 ILE A 48 1.395 3.141 7.294 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.184 1.646 6.830 1.00 1.00 H new ATOM 0 HG21 ILE A 48 0.783 4.186 4.460 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -0.766 3.347 4.206 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -0.429 4.142 5.762 1.00 1.00 H new ATOM 0 HD11 ILE A 48 3.715 3.555 6.591 1.00 1.00 H new ATOM 0 HD12 ILE A 48 3.380 2.828 5.002 1.00 1.00 H new ATOM 0 HD13 ILE A 48 2.579 4.346 5.472 1.00 1.00 H new ATOM 700 N SER A 49 -2.802 1.684 5.537 1.00 1.00 N ATOM 701 CA SER A 49 -4.019 1.586 4.719 1.00 1.00 C ATOM 702 C SER A 49 -3.905 2.343 3.385 1.00 1.00 C ATOM 703 O SER A 49 -3.192 3.345 3.271 1.00 1.00 O ATOM 704 CB SER A 49 -5.236 2.088 5.510 1.00 1.00 C ATOM 705 OG SER A 49 -4.997 3.374 6.066 1.00 1.00 O ATOM 0 H SER A 49 -2.930 2.241 6.382 1.00 1.00 H new ATOM 0 HA SER A 49 -4.150 0.532 4.476 1.00 1.00 H new ATOM 0 HB2 SER A 49 -6.106 2.129 4.855 1.00 1.00 H new ATOM 0 HB3 SER A 49 -5.470 1.383 6.307 1.00 1.00 H new ATOM 0 HG SER A 49 -5.789 3.668 6.562 1.00 1.00 H new ATOM 711 N LYS A 50 -4.634 1.868 2.369 1.00 1.00 N ATOM 712 CA LYS A 50 -4.627 2.362 0.979 1.00 1.00 C ATOM 713 C LYS A 50 -6.048 2.368 0.406 1.00 1.00 C ATOM 714 O LYS A 50 -6.916 1.641 0.895 1.00 1.00 O ATOM 715 CB LYS A 50 -3.733 1.450 0.109 1.00 1.00 C ATOM 716 CG LYS A 50 -2.280 1.264 0.582 1.00 1.00 C ATOM 717 CD LYS A 50 -1.432 2.542 0.478 1.00 1.00 C ATOM 718 CE LYS A 50 -0.078 2.383 1.181 1.00 1.00 C ATOM 719 NZ LYS A 50 0.756 1.339 0.549 1.00 1.00 N ATOM 0 H LYS A 50 -5.279 1.088 2.496 1.00 1.00 H new ATOM 0 HA LYS A 50 -4.236 3.380 0.973 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -4.202 0.468 0.050 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -3.714 1.855 -0.903 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -2.284 0.924 1.618 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -1.812 0.478 -0.010 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -1.270 2.787 -0.572 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -1.976 3.377 0.920 1.00 1.00 H new ATOM 0 HE2 LYS A 50 0.455 3.334 1.161 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -0.241 2.131 2.229 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 1.754 1.494 0.797 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 0.456 0.403 0.888 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 0.645 1.384 -0.484 1.00 1.00 H new ATOM 733 N SER A 51 -6.287 3.149 -0.646 1.00 1.00 N ATOM 734 CA SER A 51 -7.545 3.103 -1.410 1.00 1.00 C ATOM 735 C SER A 51 -7.716 1.749 -2.109 1.00 1.00 C ATOM 736 O SER A 51 -6.735 1.105 -2.485 1.00 1.00 O ATOM 737 CB SER A 51 -7.592 4.228 -2.451 1.00 1.00 C ATOM 738 OG SER A 51 -7.482 5.493 -1.814 1.00 1.00 O ATOM 0 H SER A 51 -5.618 3.834 -0.998 1.00 1.00 H new ATOM 0 HA SER A 51 -8.363 3.239 -0.703 1.00 1.00 H new ATOM 0 HB2 SER A 51 -6.781 4.103 -3.169 1.00 1.00 H new ATOM 0 HB3 SER A 51 -8.525 4.175 -3.012 1.00 1.00 H new ATOM 0 HG SER A 51 -7.512 6.203 -2.489 1.00 1.00 H new ATOM 744 N ALA A 52 -8.966 1.323 -2.298 1.00 1.00 N ATOM 745 CA ALA A 52 -9.291 -0.009 -2.813 1.00 1.00 C ATOM 746 C ALA A 52 -10.507 -0.024 -3.756 1.00 1.00 C ATOM 747 O ALA A 52 -11.477 0.704 -3.533 1.00 1.00 O ATOM 748 CB ALA A 52 -9.512 -0.942 -1.616 1.00 1.00 C ATOM 0 H ALA A 52 -9.786 1.895 -2.097 1.00 1.00 H new ATOM 0 HA ALA A 52 -8.455 -0.351 -3.423 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -9.756 -1.942 -1.974 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -8.604 -0.984 -1.015 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -10.333 -0.564 -1.007 1.00 1.00 H new ATOM 754 N VAL A 53 -10.472 -0.904 -4.764 1.00 1.00 N ATOM 755 CA VAL A 53 -11.570 -1.203 -5.712 1.00 1.00 C ATOM 756 C VAL A 53 -11.832 -2.714 -5.816 1.00 1.00 C ATOM 757 O VAL A 53 -10.939 -3.522 -5.553 1.00 1.00 O ATOM 758 CB VAL A 53 -11.298 -0.632 -7.120 1.00 1.00 C ATOM 759 CG1 VAL A 53 -11.180 0.892 -7.085 1.00 1.00 C ATOM 760 CG2 VAL A 53 -10.049 -1.205 -7.803 1.00 1.00 C ATOM 0 H VAL A 53 -9.638 -1.459 -4.956 1.00 1.00 H new ATOM 0 HA VAL A 53 -12.457 -0.715 -5.309 1.00 1.00 H new ATOM 0 HB VAL A 53 -12.161 -0.938 -7.711 1.00 1.00 H new ATOM 0 HG11 VAL A 53 -10.988 1.265 -8.091 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -12.109 1.320 -6.710 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -10.358 1.178 -6.429 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -9.932 -0.751 -8.787 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -9.170 -0.988 -7.196 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -10.157 -2.284 -7.912 1.00 1.00 H new ATOM 770 N SER A 54 -13.043 -3.118 -6.220 1.00 1.00 N ATOM 771 CA SER A 54 -13.353 -4.531 -6.489 1.00 1.00 C ATOM 772 C SER A 54 -12.746 -4.985 -7.822 1.00 1.00 C ATOM 773 O SER A 54 -13.056 -4.429 -8.879 1.00 1.00 O ATOM 774 CB SER A 54 -14.861 -4.790 -6.505 1.00 1.00 C ATOM 775 OG SER A 54 -15.070 -6.190 -6.630 1.00 1.00 O ATOM 0 H SER A 54 -13.828 -2.484 -6.369 1.00 1.00 H new ATOM 0 HA SER A 54 -12.911 -5.108 -5.677 1.00 1.00 H new ATOM 0 HB2 SER A 54 -15.320 -4.417 -5.589 1.00 1.00 H new ATOM 0 HB3 SER A 54 -15.329 -4.260 -7.335 1.00 1.00 H new ATOM 0 HG SER A 54 -15.395 -6.550 -5.778 1.00 1.00 H new ATOM 781 N PHE A 55 -11.902 -6.018 -7.781 1.00 1.00 N ATOM 782 CA PHE A 55 -11.391 -6.700 -8.978 1.00 1.00 C ATOM 783 C PHE A 55 -12.412 -7.669 -9.606 1.00 1.00 C ATOM 784 O PHE A 55 -12.312 -8.003 -10.787 1.00 1.00 O ATOM 785 CB PHE A 55 -10.123 -7.466 -8.588 1.00 1.00 C ATOM 786 CG PHE A 55 -9.348 -8.047 -9.760 1.00 1.00 C ATOM 787 CD1 PHE A 55 -8.504 -7.221 -10.530 1.00 1.00 C ATOM 788 CD2 PHE A 55 -9.450 -9.418 -10.070 1.00 1.00 C ATOM 789 CE1 PHE A 55 -7.761 -7.766 -11.594 1.00 1.00 C ATOM 790 CE2 PHE A 55 -8.705 -9.961 -11.133 1.00 1.00 C ATOM 791 CZ PHE A 55 -7.859 -9.135 -11.893 1.00 1.00 C ATOM 0 H PHE A 55 -11.549 -6.411 -6.908 1.00 1.00 H new ATOM 0 HA PHE A 55 -11.183 -5.942 -9.733 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -9.467 -6.797 -8.032 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -10.397 -8.277 -7.913 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -8.427 -6.168 -10.303 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -10.102 -10.054 -9.490 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -7.115 -7.131 -12.181 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -8.783 -11.013 -11.365 1.00 1.00 H new ATOM 0 HZ PHE A 55 -7.285 -9.553 -12.707 1.00 1.00 H new ATOM 801 N ASP A 56 -13.410 -8.107 -8.830 1.00 1.00 N ATOM 802 CA ASP A 56 -14.339 -9.191 -9.190 1.00 1.00 C ATOM 803 C ASP A 56 -15.803 -8.719 -9.329 1.00 1.00 C ATOM 804 O ASP A 56 -16.716 -9.539 -9.442 1.00 1.00 O ATOM 805 CB ASP A 56 -14.157 -10.326 -8.165 1.00 1.00 C ATOM 806 CG ASP A 56 -14.840 -11.636 -8.588 1.00 1.00 C ATOM 807 OD1 ASP A 56 -14.507 -12.141 -9.687 1.00 1.00 O ATOM 808 OD2 ASP A 56 -15.672 -12.150 -7.803 1.00 1.00 O ATOM 0 H ASP A 56 -13.601 -7.709 -7.910 1.00 1.00 H new ATOM 0 HA ASP A 56 -14.098 -9.561 -10.186 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -13.092 -10.509 -8.020 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -14.560 -10.007 -7.204 1.00 1.00 H new ATOM 813 N ASN A 57 -16.033 -7.399 -9.338 1.00 1.00 N ATOM 814 CA ASN A 57 -17.344 -6.749 -9.433 1.00 1.00 C ATOM 815 C ASN A 57 -18.309 -7.201 -8.308 1.00 1.00 C ATOM 816 O ASN A 57 -19.480 -7.503 -8.544 1.00 1.00 O ATOM 817 CB ASN A 57 -17.861 -6.903 -10.883 1.00 1.00 C ATOM 818 CG ASN A 57 -18.920 -5.890 -11.295 1.00 1.00 C ATOM 819 OD1 ASN A 57 -18.668 -4.963 -12.054 1.00 1.00 O ATOM 820 ND2 ASN A 57 -20.145 -6.050 -10.854 1.00 1.00 N ATOM 0 H ASN A 57 -15.271 -6.724 -9.276 1.00 1.00 H new ATOM 0 HA ASN A 57 -17.263 -5.678 -9.245 1.00 1.00 H new ATOM 0 HB2 ASN A 57 -17.015 -6.821 -11.566 1.00 1.00 H new ATOM 0 HB3 ASN A 57 -18.272 -7.906 -11.003 1.00 1.00 H new ATOM 0 HD21 ASN A 57 -20.880 -5.405 -11.144 1.00 1.00 H new ATOM 0 HD22 ASN A 57 -20.363 -6.820 -10.221 1.00 1.00 H new ATOM 827 N GLN A 58 -17.794 -7.267 -7.076 1.00 1.00 N ATOM 828 CA GLN A 58 -18.512 -7.677 -5.859 1.00 1.00 C ATOM 829 C GLN A 58 -18.572 -6.525 -4.846 1.00 1.00 C ATOM 830 O GLN A 58 -17.700 -5.656 -4.829 1.00 1.00 O ATOM 831 CB GLN A 58 -17.816 -8.882 -5.199 1.00 1.00 C ATOM 832 CG GLN A 58 -17.619 -10.102 -6.109 1.00 1.00 C ATOM 833 CD GLN A 58 -18.910 -10.608 -6.752 1.00 1.00 C ATOM 834 OE1 GLN A 58 -19.897 -10.903 -6.088 1.00 1.00 O ATOM 835 NE2 GLN A 58 -18.960 -10.728 -8.061 1.00 1.00 N ATOM 0 H GLN A 58 -16.821 -7.026 -6.889 1.00 1.00 H new ATOM 0 HA GLN A 58 -19.524 -7.954 -6.153 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -16.841 -8.562 -4.832 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -18.399 -9.187 -4.330 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -16.909 -9.846 -6.895 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -17.173 -10.909 -5.527 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -18.146 -10.486 -8.627 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -19.812 -11.063 -8.510 1.00 1.00 H new ATOM 844 N GLN A 59 -19.591 -6.520 -3.981 1.00 1.00 N ATOM 845 CA GLN A 59 -19.661 -5.578 -2.862 1.00 1.00 C ATOM 846 C GLN A 59 -18.835 -6.131 -1.690 1.00 1.00 C ATOM 847 O GLN A 59 -19.008 -7.284 -1.287 1.00 1.00 O ATOM 848 CB GLN A 59 -21.126 -5.338 -2.456 1.00 1.00 C ATOM 849 CG GLN A 59 -21.298 -3.992 -1.730 1.00 1.00 C ATOM 850 CD GLN A 59 -22.626 -3.917 -0.978 1.00 1.00 C ATOM 851 OE1 GLN A 59 -23.689 -3.733 -1.559 1.00 1.00 O ATOM 852 NE2 GLN A 59 -22.633 -4.054 0.333 1.00 1.00 N ATOM 0 H GLN A 59 -20.382 -7.162 -4.036 1.00 1.00 H new ATOM 0 HA GLN A 59 -19.245 -4.616 -3.160 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -21.758 -5.357 -3.344 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -21.462 -6.147 -1.808 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -20.475 -3.850 -1.029 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -21.244 -3.179 -2.454 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -21.758 -4.208 0.834 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -23.513 -4.006 0.846 1.00 1.00 H new ATOM 861 N ILE A 60 -17.947 -5.306 -1.136 1.00 1.00 N ATOM 862 CA ILE A 60 -16.992 -5.679 -0.091 1.00 1.00 C ATOM 863 C ILE A 60 -17.161 -4.709 1.080 1.00 1.00 C ATOM 864 O ILE A 60 -16.509 -3.668 1.166 1.00 1.00 O ATOM 865 CB ILE A 60 -15.534 -5.764 -0.613 1.00 1.00 C ATOM 866 CG1 ILE A 60 -15.403 -6.246 -2.080 1.00 1.00 C ATOM 867 CG2 ILE A 60 -14.777 -6.693 0.340 1.00 1.00 C ATOM 868 CD1 ILE A 60 -13.965 -6.276 -2.615 1.00 1.00 C ATOM 0 H ILE A 60 -17.869 -4.327 -1.411 1.00 1.00 H new ATOM 0 HA ILE A 60 -17.207 -6.690 0.255 1.00 1.00 H new ATOM 0 HB ILE A 60 -15.113 -4.759 -0.627 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -15.827 -7.247 -2.159 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -16.001 -5.595 -2.718 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -13.741 -6.785 0.013 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -14.804 -6.280 1.348 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -15.246 -7.677 0.339 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -13.968 -6.625 -3.648 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -13.540 -5.273 -2.572 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -13.364 -6.951 -2.006 1.00 1.00 H new ATOM 880 N SER A 61 -18.133 -5.011 1.938 1.00 1.00 N ATOM 881 CA SER A 61 -18.446 -4.241 3.146 1.00 1.00 C ATOM 882 C SER A 61 -17.299 -4.260 4.175 1.00 1.00 C ATOM 883 O SER A 61 -16.372 -5.071 4.093 1.00 1.00 O ATOM 884 CB SER A 61 -19.739 -4.784 3.769 1.00 1.00 C ATOM 885 OG SER A 61 -20.795 -4.753 2.815 1.00 1.00 O ATOM 0 H SER A 61 -18.743 -5.819 1.811 1.00 1.00 H new ATOM 0 HA SER A 61 -18.581 -3.199 2.854 1.00 1.00 H new ATOM 0 HB2 SER A 61 -19.583 -5.805 4.116 1.00 1.00 H new ATOM 0 HB3 SER A 61 -20.009 -4.188 4.641 1.00 1.00 H new ATOM 0 HG SER A 61 -21.615 -5.103 3.223 1.00 1.00 H new ATOM 891 N TYR A 62 -17.376 -3.368 5.168 1.00 1.00 N ATOM 892 CA TYR A 62 -16.423 -3.263 6.281 1.00 1.00 C ATOM 893 C TYR A 62 -16.164 -4.602 7.001 1.00 1.00 C ATOM 894 O TYR A 62 -17.093 -5.379 7.249 1.00 1.00 O ATOM 895 CB TYR A 62 -16.972 -2.229 7.280 1.00 1.00 C ATOM 896 CG TYR A 62 -16.162 -2.098 8.557 1.00 1.00 C ATOM 897 CD1 TYR A 62 -15.031 -1.264 8.582 1.00 1.00 C ATOM 898 CD2 TYR A 62 -16.518 -2.830 9.709 1.00 1.00 C ATOM 899 CE1 TYR A 62 -14.248 -1.158 9.747 1.00 1.00 C ATOM 900 CE2 TYR A 62 -15.737 -2.731 10.876 1.00 1.00 C ATOM 901 CZ TYR A 62 -14.599 -1.895 10.901 1.00 1.00 C ATOM 902 OH TYR A 62 -13.852 -1.804 12.036 1.00 1.00 O ATOM 0 H TYR A 62 -18.125 -2.678 5.222 1.00 1.00 H new ATOM 0 HA TYR A 62 -15.462 -2.956 5.870 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -17.015 -1.256 6.790 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -17.995 -2.501 7.540 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -14.761 -0.700 7.701 1.00 1.00 H new ATOM 0 HD2 TYR A 62 -17.390 -3.467 9.696 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -13.381 -0.515 9.759 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -16.009 -3.296 11.755 1.00 1.00 H new ATOM 0 HH TYR A 62 -14.240 -2.377 12.730 1.00 1.00 H new ATOM 912 N GLY A 63 -14.908 -4.845 7.392 1.00 1.00 N ATOM 913 CA GLY A 63 -14.535 -5.950 8.278 1.00 1.00 C ATOM 914 C GLY A 63 -14.512 -7.344 7.639 1.00 1.00 C ATOM 915 O GLY A 63 -14.898 -8.312 8.298 1.00 1.00 O ATOM 0 H GLY A 63 -14.115 -4.274 7.099 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -13.546 -5.743 8.688 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -15.231 -5.968 9.117 1.00 1.00 H new ATOM 919 N THR A 64 -14.056 -7.472 6.385 1.00 1.00 N ATOM 920 CA THR A 64 -13.887 -8.775 5.707 1.00 1.00 C ATOM 921 C THR A 64 -12.482 -8.952 5.132 1.00 1.00 C ATOM 922 O THR A 64 -11.792 -7.969 4.838 1.00 1.00 O ATOM 923 CB THR A 64 -14.965 -8.989 4.633 1.00 1.00 C ATOM 924 OG1 THR A 64 -15.115 -10.370 4.397 1.00 1.00 O ATOM 925 CG2 THR A 64 -14.658 -8.332 3.293 1.00 1.00 C ATOM 0 H THR A 64 -13.792 -6.675 5.806 1.00 1.00 H new ATOM 0 HA THR A 64 -14.014 -9.546 6.466 1.00 1.00 H new ATOM 0 HB THR A 64 -15.869 -8.524 5.028 1.00 1.00 H new ATOM 0 HG1 THR A 64 -15.803 -10.512 3.714 1.00 1.00 H new ATOM 0 HG21 THR A 64 -15.470 -8.533 2.594 1.00 1.00 H new ATOM 0 HG22 THR A 64 -14.556 -7.256 3.430 1.00 1.00 H new ATOM 0 HG23 THR A 64 -13.728 -8.737 2.894 1.00 1.00 H new ATOM 933 N THR A 65 -12.049 -10.206 4.980 1.00 1.00 N ATOM 934 CA THR A 65 -10.686 -10.560 4.553 1.00 1.00 C ATOM 935 C THR A 65 -10.637 -10.745 3.041 1.00 1.00 C ATOM 936 O THR A 65 -11.387 -11.533 2.458 1.00 1.00 O ATOM 937 CB THR A 65 -10.153 -11.814 5.266 1.00 1.00 C ATOM 938 OG1 THR A 65 -10.287 -11.650 6.663 1.00 1.00 O ATOM 939 CG2 THR A 65 -8.670 -12.055 4.976 1.00 1.00 C ATOM 0 H THR A 65 -12.641 -11.018 5.152 1.00 1.00 H new ATOM 0 HA THR A 65 -10.035 -9.733 4.836 1.00 1.00 H new ATOM 0 HB THR A 65 -10.731 -12.662 4.898 1.00 1.00 H new ATOM 0 HG1 THR A 65 -9.950 -12.449 7.120 1.00 1.00 H new ATOM 0 HG21 THR A 65 -8.338 -12.951 5.500 1.00 1.00 H new ATOM 0 HG22 THR A 65 -8.526 -12.188 3.904 1.00 1.00 H new ATOM 0 HG23 THR A 65 -8.089 -11.198 5.317 1.00 1.00 H new ATOM 947 N VAL A 66 -9.714 -10.031 2.404 1.00 1.00 N ATOM 948 CA VAL A 66 -9.613 -9.875 0.948 1.00 1.00 C ATOM 949 C VAL A 66 -8.211 -10.212 0.454 1.00 1.00 C ATOM 950 O VAL A 66 -7.231 -9.937 1.136 1.00 1.00 O ATOM 951 CB VAL A 66 -9.974 -8.433 0.533 1.00 1.00 C ATOM 952 CG1 VAL A 66 -11.450 -8.113 0.771 1.00 1.00 C ATOM 953 CG2 VAL A 66 -9.168 -7.345 1.260 1.00 1.00 C ATOM 0 H VAL A 66 -8.984 -9.523 2.904 1.00 1.00 H new ATOM 0 HA VAL A 66 -10.319 -10.569 0.492 1.00 1.00 H new ATOM 0 HB VAL A 66 -9.729 -8.413 -0.529 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -11.654 -7.087 0.463 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -12.069 -8.796 0.189 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -11.681 -8.227 1.830 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -9.484 -6.363 0.909 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -9.341 -7.420 2.334 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -8.106 -7.480 1.053 1.00 1.00 H new ATOM 963 N LEU A 67 -8.093 -10.798 -0.733 1.00 1.00 N ATOM 964 CA LEU A 67 -6.810 -10.971 -1.418 1.00 1.00 C ATOM 965 C LEU A 67 -6.588 -9.755 -2.323 1.00 1.00 C ATOM 966 O LEU A 67 -7.453 -9.427 -3.140 1.00 1.00 O ATOM 967 CB LEU A 67 -6.853 -12.286 -2.221 1.00 1.00 C ATOM 968 CG LEU A 67 -5.583 -12.606 -3.034 1.00 1.00 C ATOM 969 CD1 LEU A 67 -4.378 -12.902 -2.140 1.00 1.00 C ATOM 970 CD2 LEU A 67 -5.828 -13.835 -3.908 1.00 1.00 C ATOM 0 H LEU A 67 -8.888 -11.170 -1.253 1.00 1.00 H new ATOM 0 HA LEU A 67 -5.980 -11.035 -0.714 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -7.038 -13.108 -1.530 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -7.701 -12.247 -2.904 1.00 1.00 H new ATOM 0 HG LEU A 67 -5.364 -11.724 -3.636 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -3.509 -13.121 -2.761 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -4.167 -12.035 -1.514 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -4.597 -13.761 -1.507 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -4.929 -14.059 -4.482 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -6.077 -14.687 -3.276 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -6.654 -13.637 -4.591 1.00 1.00 H new ATOM 982 N VAL A 68 -5.443 -9.083 -2.183 1.00 1.00 N ATOM 983 CA VAL A 68 -5.035 -8.045 -3.143 1.00 1.00 C ATOM 984 C VAL A 68 -4.558 -8.744 -4.418 1.00 1.00 C ATOM 985 O VAL A 68 -3.624 -9.543 -4.372 1.00 1.00 O ATOM 986 CB VAL A 68 -3.936 -7.118 -2.584 1.00 1.00 C ATOM 987 CG1 VAL A 68 -3.750 -5.920 -3.521 1.00 1.00 C ATOM 988 CG2 VAL A 68 -4.277 -6.582 -1.186 1.00 1.00 C ATOM 0 H VAL A 68 -4.783 -9.235 -1.420 1.00 1.00 H new ATOM 0 HA VAL A 68 -5.890 -7.402 -3.351 1.00 1.00 H new ATOM 0 HB VAL A 68 -3.025 -7.712 -2.513 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -2.973 -5.266 -3.125 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -3.458 -6.273 -4.510 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -4.687 -5.368 -3.596 1.00 1.00 H new ATOM 0 HG21 VAL A 68 -3.472 -5.935 -0.838 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -5.206 -6.013 -1.231 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -4.396 -7.417 -0.495 1.00 1.00 H new ATOM 998 N VAL A 69 -5.206 -8.466 -5.550 1.00 1.00 N ATOM 999 CA VAL A 69 -5.026 -9.201 -6.821 1.00 1.00 C ATOM 1000 C VAL A 69 -4.468 -8.340 -7.965 1.00 1.00 C ATOM 1001 O VAL A 69 -3.886 -8.877 -8.906 1.00 1.00 O ATOM 1002 CB VAL A 69 -6.324 -9.913 -7.250 1.00 1.00 C ATOM 1003 CG1 VAL A 69 -6.555 -11.176 -6.415 1.00 1.00 C ATOM 1004 CG2 VAL A 69 -7.566 -9.030 -7.116 1.00 1.00 C ATOM 0 H VAL A 69 -5.887 -7.709 -5.619 1.00 1.00 H new ATOM 0 HA VAL A 69 -4.266 -9.954 -6.614 1.00 1.00 H new ATOM 0 HB VAL A 69 -6.185 -10.161 -8.302 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -7.477 -11.661 -6.736 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -5.718 -11.861 -6.552 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -6.635 -10.906 -5.362 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -8.446 -9.589 -7.434 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -7.685 -8.725 -6.076 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -7.453 -8.145 -7.743 1.00 1.00 H new ATOM 1014 N ASP A 70 -4.571 -7.013 -7.871 1.00 1.00 N ATOM 1015 CA ASP A 70 -3.894 -6.051 -8.755 1.00 1.00 C ATOM 1016 C ASP A 70 -3.607 -4.766 -7.961 1.00 1.00 C ATOM 1017 O ASP A 70 -4.215 -4.542 -6.915 1.00 1.00 O ATOM 1018 CB ASP A 70 -4.730 -5.760 -10.016 1.00 1.00 C ATOM 1019 CG ASP A 70 -3.867 -5.543 -11.263 1.00 1.00 C ATOM 1020 OD1 ASP A 70 -3.009 -4.631 -11.228 1.00 1.00 O ATOM 1021 OD2 ASP A 70 -4.062 -6.284 -12.255 1.00 1.00 O ATOM 0 H ASP A 70 -5.144 -6.561 -7.158 1.00 1.00 H new ATOM 0 HA ASP A 70 -2.953 -6.479 -9.100 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -5.414 -6.590 -10.193 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -5.342 -4.874 -9.844 1.00 1.00 H new ATOM 1026 N ILE A 71 -2.670 -3.929 -8.410 1.00 1.00 N ATOM 1027 CA ILE A 71 -2.157 -2.777 -7.643 1.00 1.00 C ATOM 1028 C ILE A 71 -1.770 -1.639 -8.598 1.00 1.00 C ATOM 1029 O ILE A 71 -1.067 -1.856 -9.588 1.00 1.00 O ATOM 1030 CB ILE A 71 -0.961 -3.217 -6.752 1.00 1.00 C ATOM 1031 CG1 ILE A 71 -1.426 -4.271 -5.717 1.00 1.00 C ATOM 1032 CG2 ILE A 71 -0.330 -2.016 -6.030 1.00 1.00 C ATOM 1033 CD1 ILE A 71 -0.471 -4.607 -4.573 1.00 1.00 C ATOM 0 H ILE A 71 -2.236 -4.028 -9.328 1.00 1.00 H new ATOM 0 HA ILE A 71 -2.939 -2.403 -6.983 1.00 1.00 H new ATOM 0 HB ILE A 71 -0.204 -3.658 -7.401 1.00 1.00 H new ATOM 0 HG12 ILE A 71 -2.363 -3.924 -5.282 1.00 1.00 H new ATOM 0 HG13 ILE A 71 -1.646 -5.194 -6.253 1.00 1.00 H new ATOM 0 HG21 ILE A 71 0.503 -2.357 -5.416 1.00 1.00 H new ATOM 0 HG22 ILE A 71 0.032 -1.298 -6.766 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -1.077 -1.539 -5.396 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -0.927 -5.358 -3.927 1.00 1.00 H new ATOM 0 HD12 ILE A 71 0.462 -4.997 -4.980 1.00 1.00 H new ATOM 0 HD13 ILE A 71 -0.266 -3.707 -3.994 1.00 1.00 H new ATOM 1045 N ASN A 72 -2.213 -0.417 -8.282 1.00 1.00 N ATOM 1046 CA ASN A 72 -2.035 0.784 -9.102 1.00 1.00 C ATOM 1047 C ASN A 72 -1.747 2.025 -8.227 1.00 1.00 C ATOM 1048 O ASN A 72 -2.655 2.793 -7.908 1.00 1.00 O ATOM 1049 CB ASN A 72 -3.279 0.931 -10.005 1.00 1.00 C ATOM 1050 CG ASN A 72 -3.123 2.015 -11.061 1.00 1.00 C ATOM 1051 OD1 ASN A 72 -2.912 1.747 -12.237 1.00 1.00 O ATOM 1052 ND2 ASN A 72 -3.213 3.268 -10.682 1.00 1.00 N ATOM 0 H ASN A 72 -2.723 -0.232 -7.418 1.00 1.00 H new ATOM 0 HA ASN A 72 -1.158 0.691 -9.743 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -3.479 -0.021 -10.497 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.146 1.158 -9.385 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -3.107 4.017 -11.367 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -3.389 3.493 -9.703 1.00 1.00 H new ATOM 1059 N ASN A 73 -0.478 2.220 -7.845 1.00 1.00 N ATOM 1060 CA ASN A 73 0.066 3.428 -7.195 1.00 1.00 C ATOM 1061 C ASN A 73 -0.832 4.051 -6.092 1.00 1.00 C ATOM 1062 O ASN A 73 -1.236 5.215 -6.168 1.00 1.00 O ATOM 1063 CB ASN A 73 0.466 4.422 -8.306 1.00 1.00 C ATOM 1064 CG ASN A 73 1.276 5.610 -7.801 1.00 1.00 C ATOM 1065 OD1 ASN A 73 1.907 5.578 -6.753 1.00 1.00 O ATOM 1066 ND2 ASN A 73 1.290 6.698 -8.538 1.00 1.00 N ATOM 0 H ASN A 73 0.236 1.506 -7.986 1.00 1.00 H new ATOM 0 HA ASN A 73 0.945 3.138 -6.620 1.00 1.00 H new ATOM 0 HB2 ASN A 73 1.046 3.894 -9.063 1.00 1.00 H new ATOM 0 HB3 ASN A 73 -0.436 4.790 -8.795 1.00 1.00 H new ATOM 0 HD21 ASN A 73 1.826 7.512 -8.236 1.00 1.00 H new ATOM 0 HD22 ASN A 73 0.765 6.729 -9.412 1.00 1.00 H new ATOM 1073 N GLY A 74 -1.198 3.247 -5.090 1.00 1.00 N ATOM 1074 CA GLY A 74 -2.047 3.644 -3.956 1.00 1.00 C ATOM 1075 C GLY A 74 -3.516 3.217 -4.079 1.00 1.00 C ATOM 1076 O GLY A 74 -4.269 3.351 -3.115 1.00 1.00 O ATOM 0 H GLY A 74 -0.904 2.271 -5.041 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -1.633 3.217 -3.042 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -2.005 4.728 -3.849 1.00 1.00 H new ATOM 1080 N VAL A 75 -3.912 2.670 -5.234 1.00 1.00 N ATOM 1081 CA VAL A 75 -5.247 2.122 -5.521 1.00 1.00 C ATOM 1082 C VAL A 75 -5.106 0.623 -5.774 1.00 1.00 C ATOM 1083 O VAL A 75 -4.707 0.178 -6.851 1.00 1.00 O ATOM 1084 CB VAL A 75 -5.934 2.838 -6.705 1.00 1.00 C ATOM 1085 CG1 VAL A 75 -7.404 2.407 -6.802 1.00 1.00 C ATOM 1086 CG2 VAL A 75 -5.894 4.366 -6.560 1.00 1.00 C ATOM 0 H VAL A 75 -3.283 2.593 -6.033 1.00 1.00 H new ATOM 0 HA VAL A 75 -5.895 2.292 -4.661 1.00 1.00 H new ATOM 0 HB VAL A 75 -5.386 2.555 -7.604 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -7.878 2.918 -7.640 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -7.458 1.329 -6.956 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -7.921 2.667 -5.879 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -6.389 4.826 -7.416 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -6.407 4.658 -5.644 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -4.857 4.700 -6.518 1.00 1.00 H new ATOM 1096 N LEU A 76 -5.358 -0.167 -4.734 1.00 1.00 N ATOM 1097 CA LEU A 76 -5.318 -1.626 -4.772 1.00 1.00 C ATOM 1098 C LEU A 76 -6.623 -2.171 -5.380 1.00 1.00 C ATOM 1099 O LEU A 76 -7.703 -1.629 -5.156 1.00 1.00 O ATOM 1100 CB LEU A 76 -5.109 -2.135 -3.331 1.00 1.00 C ATOM 1101 CG LEU A 76 -3.644 -2.102 -2.840 1.00 1.00 C ATOM 1102 CD1 LEU A 76 -2.971 -0.727 -2.896 1.00 1.00 C ATOM 1103 CD2 LEU A 76 -3.573 -2.590 -1.394 1.00 1.00 C ATOM 0 H LEU A 76 -5.603 0.201 -3.815 1.00 1.00 H new ATOM 0 HA LEU A 76 -4.498 -1.976 -5.399 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -5.718 -1.533 -2.656 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -5.477 -3.159 -3.265 1.00 1.00 H new ATOM 0 HG LEU A 76 -3.105 -2.751 -3.530 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -1.947 -0.808 -2.531 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -2.962 -0.368 -3.925 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -3.524 -0.025 -2.272 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -2.538 -2.565 -1.052 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -4.180 -1.943 -0.761 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -3.950 -3.611 -1.336 1.00 1.00 H new ATOM 1115 N SER A 77 -6.540 -3.282 -6.102 1.00 1.00 N ATOM 1116 CA SER A 77 -7.689 -4.044 -6.600 1.00 1.00 C ATOM 1117 C SER A 77 -7.771 -5.345 -5.814 1.00 1.00 C ATOM 1118 O SER A 77 -6.803 -6.109 -5.770 1.00 1.00 O ATOM 1119 CB SER A 77 -7.562 -4.352 -8.091 1.00 1.00 C ATOM 1120 OG SER A 77 -7.365 -3.172 -8.853 1.00 1.00 O ATOM 0 H SER A 77 -5.645 -3.694 -6.368 1.00 1.00 H new ATOM 0 HA SER A 77 -8.592 -3.448 -6.467 1.00 1.00 H new ATOM 0 HB2 SER A 77 -6.727 -5.034 -8.252 1.00 1.00 H new ATOM 0 HB3 SER A 77 -8.461 -4.862 -8.436 1.00 1.00 H new ATOM 0 HG SER A 77 -7.286 -3.405 -9.802 1.00 1.00 H new ATOM 1126 N VAL A 78 -8.911 -5.594 -5.171 1.00 1.00 N ATOM 1127 CA VAL A 78 -9.065 -6.687 -4.198 1.00 1.00 C ATOM 1128 C VAL A 78 -10.325 -7.518 -4.452 1.00 1.00 C ATOM 1129 O VAL A 78 -11.247 -7.089 -5.149 1.00 1.00 O ATOM 1130 CB VAL A 78 -9.004 -6.154 -2.745 1.00 1.00 C ATOM 1131 CG1 VAL A 78 -7.844 -5.177 -2.505 1.00 1.00 C ATOM 1132 CG2 VAL A 78 -10.282 -5.441 -2.297 1.00 1.00 C ATOM 0 H VAL A 78 -9.759 -5.044 -5.307 1.00 1.00 H new ATOM 0 HA VAL A 78 -8.221 -7.363 -4.336 1.00 1.00 H new ATOM 0 HB VAL A 78 -8.861 -7.062 -2.159 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -7.859 -4.842 -1.468 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -6.898 -5.678 -2.711 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -7.950 -4.317 -3.166 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -10.165 -5.096 -1.270 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -10.469 -4.587 -2.948 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -11.123 -6.132 -2.354 1.00 1.00 H new ATOM 1142 N THR A 79 -10.371 -8.714 -3.869 1.00 1.00 N ATOM 1143 CA THR A 79 -11.526 -9.630 -3.924 1.00 1.00 C ATOM 1144 C THR A 79 -11.657 -10.404 -2.599 1.00 1.00 C ATOM 1145 O THR A 79 -10.627 -10.747 -2.011 1.00 1.00 O ATOM 1146 CB THR A 79 -11.389 -10.574 -5.137 1.00 1.00 C ATOM 1147 OG1 THR A 79 -12.502 -11.432 -5.210 1.00 1.00 O ATOM 1148 CG2 THR A 79 -10.138 -11.456 -5.117 1.00 1.00 C ATOM 0 H THR A 79 -9.591 -9.089 -3.330 1.00 1.00 H new ATOM 0 HA THR A 79 -12.443 -9.055 -4.054 1.00 1.00 H new ATOM 0 HB THR A 79 -11.317 -9.911 -5.999 1.00 1.00 H new ATOM 0 HG1 THR A 79 -12.407 -12.026 -5.984 1.00 1.00 H new ATOM 0 HG21 THR A 79 -10.123 -12.087 -6.006 1.00 1.00 H new ATOM 0 HG22 THR A 79 -9.249 -10.826 -5.104 1.00 1.00 H new ATOM 0 HG23 THR A 79 -10.150 -12.085 -4.227 1.00 1.00 H new ATOM 1156 N PRO A 80 -12.870 -10.650 -2.060 1.00 1.00 N ATOM 1157 CA PRO A 80 -13.058 -11.308 -0.764 1.00 1.00 C ATOM 1158 C PRO A 80 -12.699 -12.803 -0.798 1.00 1.00 C ATOM 1159 O PRO A 80 -13.521 -13.661 -1.126 1.00 1.00 O ATOM 1160 CB PRO A 80 -14.506 -11.026 -0.362 1.00 1.00 C ATOM 1161 CG PRO A 80 -15.228 -10.869 -1.701 1.00 1.00 C ATOM 1162 CD PRO A 80 -14.162 -10.233 -2.595 1.00 1.00 C ATOM 0 HA PRO A 80 -12.375 -10.912 -0.013 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -14.925 -11.843 0.226 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -14.585 -10.124 0.244 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -15.563 -11.829 -2.094 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -16.110 -10.235 -1.612 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -14.277 -10.559 -3.629 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -14.251 -9.147 -2.592 1.00 1.00 H new ATOM 1170 N HIS A 81 -11.446 -13.112 -0.454 1.00 1.00 N ATOM 1171 CA HIS A 81 -10.932 -14.480 -0.350 1.00 1.00 C ATOM 1172 C HIS A 81 -11.532 -15.221 0.864 1.00 1.00 C ATOM 1173 O HIS A 81 -11.813 -16.416 0.776 1.00 1.00 O ATOM 1174 CB HIS A 81 -9.396 -14.425 -0.279 1.00 1.00 C ATOM 1175 CG HIS A 81 -8.673 -15.760 -0.327 1.00 1.00 C ATOM 1176 ND1 HIS A 81 -9.212 -17.013 -0.126 1.00 1.00 N ATOM 1177 CD2 HIS A 81 -7.338 -15.948 -0.571 1.00 1.00 C ATOM 1178 CE1 HIS A 81 -8.236 -17.928 -0.249 1.00 1.00 C ATOM 1179 NE2 HIS A 81 -7.068 -17.323 -0.520 1.00 1.00 N ATOM 0 H HIS A 81 -10.746 -12.403 -0.235 1.00 1.00 H new ATOM 0 HA HIS A 81 -11.232 -15.047 -1.232 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -9.037 -13.811 -1.105 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -9.114 -13.916 0.643 1.00 1.00 H new ATOM 0 HD1 HIS A 81 -10.190 -17.212 0.082 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -6.616 -15.169 -0.769 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -8.371 -18.994 -0.145 1.00 1.00 H new ATOM 1187 N GLU A 82 -11.737 -14.513 1.984 1.00 1.00 N ATOM 1188 CA GLU A 82 -12.204 -15.043 3.281 1.00 1.00 C ATOM 1189 C GLU A 82 -11.630 -16.438 3.665 1.00 1.00 C ATOM 1190 O GLU A 82 -12.395 -17.383 3.895 1.00 1.00 O ATOM 1191 CB GLU A 82 -13.742 -14.972 3.347 1.00 1.00 C ATOM 1192 CG GLU A 82 -14.258 -13.527 3.290 1.00 1.00 C ATOM 1193 CD GLU A 82 -15.787 -13.482 3.414 1.00 1.00 C ATOM 1194 OE1 GLU A 82 -16.299 -13.744 4.530 1.00 1.00 O ATOM 1195 OE2 GLU A 82 -16.455 -13.196 2.390 1.00 1.00 O ATOM 0 H GLU A 82 -11.575 -13.506 2.016 1.00 1.00 H new ATOM 0 HA GLU A 82 -11.792 -14.396 4.056 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -14.166 -15.541 2.519 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -14.087 -15.443 4.267 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -13.807 -12.945 4.094 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -13.952 -13.065 2.351 1.00 1.00 H new ATOM 1202 N PRO A 83 -10.288 -16.605 3.716 1.00 1.00 N ATOM 1203 CA PRO A 83 -9.647 -17.883 4.045 1.00 1.00 C ATOM 1204 C PRO A 83 -9.868 -18.302 5.512 1.00 1.00 C ATOM 1205 O PRO A 83 -10.174 -17.480 6.382 1.00 1.00 O ATOM 1206 CB PRO A 83 -8.160 -17.675 3.736 1.00 1.00 C ATOM 1207 CG PRO A 83 -7.951 -16.184 3.988 1.00 1.00 C ATOM 1208 CD PRO A 83 -9.273 -15.574 3.529 1.00 1.00 C ATOM 0 HA PRO A 83 -10.079 -18.697 3.463 1.00 1.00 H new ATOM 0 HB2 PRO A 83 -7.527 -18.284 4.381 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -7.922 -17.946 2.707 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -7.753 -15.976 5.039 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -7.107 -15.793 3.421 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -9.512 -14.683 4.110 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -9.218 -15.268 2.484 1.00 1.00 H new ATOM 1216 N ILE A 84 -9.665 -19.594 5.797 1.00 1.00 N ATOM 1217 CA ILE A 84 -9.810 -20.214 7.126 1.00 1.00 C ATOM 1218 C ILE A 84 -9.025 -19.469 8.219 1.00 1.00 C ATOM 1219 O ILE A 84 -9.162 -19.762 9.414 1.00 1.00 O ATOM 1220 CB ILE A 84 -9.468 -21.726 7.100 1.00 1.00 C ATOM 1221 CG1 ILE A 84 -7.965 -22.080 6.973 1.00 1.00 C ATOM 1222 CG2 ILE A 84 -10.308 -22.469 6.046 1.00 1.00 C ATOM 1223 CD1 ILE A 84 -7.226 -21.590 5.720 1.00 1.00 C ATOM 0 H ILE A 84 -9.384 -20.265 5.082 1.00 1.00 H new ATOM 0 HA ILE A 84 -10.864 -20.125 7.390 1.00 1.00 H new ATOM 0 HB ILE A 84 -9.739 -22.077 8.096 1.00 1.00 H new ATOM 0 HG12 ILE A 84 -7.450 -21.679 7.846 1.00 1.00 H new ATOM 0 HG13 ILE A 84 -7.870 -23.165 7.017 1.00 1.00 H new ATOM 0 HG21 ILE A 84 -10.046 -23.527 6.051 1.00 1.00 H new ATOM 0 HG22 ILE A 84 -11.367 -22.356 6.279 1.00 1.00 H new ATOM 0 HG23 ILE A 84 -10.107 -22.051 5.060 1.00 1.00 H new ATOM 0 HD11 ILE A 84 -6.185 -21.909 5.764 1.00 1.00 H new ATOM 0 HD12 ILE A 84 -7.697 -22.011 4.832 1.00 1.00 H new ATOM 0 HD13 ILE A 84 -7.271 -20.502 5.673 1.00 1.00 H new TER 1235 ILE A 84