USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 541 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 6 SER OG : rot 108:sc= 1.25 USER MOD Set 1.2: A 8 SER OG : rot 180:sc= 1.05 USER MOD Single : A 1 MET CE :methyl 166:sc= 0 (180deg=-0.136) USER MOD Single : A 1 MET N :NH3+ 162:sc= 0.00633 (180deg=0) USER MOD Single : A 17 TYR OH : rot 25:sc= 0.918 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0983 X(o=-0.098,f=-0.59) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.112 F(o=-0.96,f=-0.11) USER MOD Single : A 44 THR OG1 : rot -93:sc= -0.197 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 140:sc= 0.22 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0371) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.551 17.115 -13.127 1.00 0.00 N ATOM 2 CA MET A 1 -15.915 16.915 -12.587 1.00 0.00 C ATOM 3 C MET A 1 -16.586 18.265 -12.352 1.00 0.00 C ATOM 4 O MET A 1 -15.904 19.269 -12.139 1.00 0.00 O ATOM 5 CB MET A 1 -15.844 16.132 -11.272 1.00 0.00 C ATOM 6 CG MET A 1 -16.838 14.984 -11.183 1.00 0.00 C ATOM 7 SD MET A 1 -18.550 15.534 -11.296 1.00 0.00 S ATOM 8 CE MET A 1 -19.410 13.962 -11.303 1.00 0.00 C ATOM 0 H1 MET A 1 -13.997 16.244 -13.001 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.609 17.345 -14.140 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.088 17.897 -12.620 1.00 0.00 H new ATOM 0 HA MET A 1 -16.503 16.348 -13.309 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.836 15.737 -11.150 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.020 16.817 -10.443 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.636 14.272 -11.983 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.692 14.455 -10.241 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.472 14.127 -11.119 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.280 13.481 -12.272 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.002 13.321 -10.522 1.00 0.00 H new ATOM 20 N PHE A 2 -17.916 18.299 -12.399 1.00 0.00 N ATOM 21 CA PHE A 2 -18.652 19.520 -12.092 1.00 0.00 C ATOM 22 C PHE A 2 -18.799 19.660 -10.581 1.00 0.00 C ATOM 23 O PHE A 2 -19.067 20.742 -10.065 1.00 0.00 O ATOM 24 CB PHE A 2 -20.032 19.530 -12.772 1.00 0.00 C ATOM 25 CG PHE A 2 -20.987 18.477 -12.274 1.00 0.00 C ATOM 26 CD1 PHE A 2 -21.814 18.730 -11.190 1.00 0.00 C ATOM 27 CD2 PHE A 2 -21.064 17.243 -12.895 1.00 0.00 C ATOM 28 CE1 PHE A 2 -22.697 17.772 -10.734 1.00 0.00 C ATOM 29 CE2 PHE A 2 -21.945 16.279 -12.444 1.00 0.00 C ATOM 30 CZ PHE A 2 -22.762 16.544 -11.362 1.00 0.00 C ATOM 0 H PHE A 2 -18.501 17.501 -12.645 1.00 0.00 H new ATOM 0 HA PHE A 2 -18.090 20.369 -12.481 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -20.486 20.510 -12.627 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -19.894 19.398 -13.845 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -21.767 19.689 -10.696 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -20.428 17.031 -13.742 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -23.335 17.982 -9.888 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -21.995 15.319 -12.937 1.00 0.00 H new ATOM 0 HZ PHE A 2 -23.451 15.791 -11.008 1.00 0.00 H new ATOM 40 N ARG A 3 -18.621 18.545 -9.883 1.00 0.00 N ATOM 41 CA ARG A 3 -18.662 18.526 -8.430 1.00 0.00 C ATOM 42 C ARG A 3 -17.245 18.582 -7.875 1.00 0.00 C ATOM 43 O ARG A 3 -16.362 17.860 -8.342 1.00 0.00 O ATOM 44 CB ARG A 3 -19.365 17.261 -7.933 1.00 0.00 C ATOM 45 CG ARG A 3 -19.443 17.157 -6.417 1.00 0.00 C ATOM 46 CD ARG A 3 -20.019 15.823 -5.987 1.00 0.00 C ATOM 47 NE ARG A 3 -20.078 15.687 -4.533 1.00 0.00 N ATOM 48 CZ ARG A 3 -20.361 14.544 -3.906 1.00 0.00 C ATOM 49 NH1 ARG A 3 -20.560 13.431 -4.603 1.00 0.00 N ATOM 50 NH2 ARG A 3 -20.424 14.507 -2.582 1.00 0.00 N ATOM 0 H ARG A 3 -18.445 17.634 -10.307 1.00 0.00 H new ATOM 0 HA ARG A 3 -19.221 19.395 -8.083 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -20.375 17.233 -8.342 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.840 16.388 -8.321 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -18.448 17.281 -5.990 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -20.061 17.966 -6.026 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -21.021 15.712 -6.401 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -19.412 15.017 -6.401 1.00 0.00 H new ATOM 0 HE ARG A 3 -19.892 16.514 -3.965 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -20.497 13.448 -5.621 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -20.776 12.559 -4.120 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -20.256 15.354 -2.040 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -20.641 13.631 -2.106 1.00 0.00 H new ATOM 64 N GLU A 4 -17.034 19.454 -6.903 1.00 0.00 N ATOM 65 CA GLU A 4 -15.741 19.583 -6.251 1.00 0.00 C ATOM 66 C GLU A 4 -15.395 18.298 -5.508 1.00 0.00 C ATOM 67 O GLU A 4 -16.277 17.634 -4.954 1.00 0.00 O ATOM 68 CB GLU A 4 -15.740 20.759 -5.263 1.00 0.00 C ATOM 69 CG GLU A 4 -16.308 22.056 -5.824 1.00 0.00 C ATOM 70 CD GLU A 4 -17.812 22.169 -5.643 1.00 0.00 C ATOM 71 OE1 GLU A 4 -18.564 21.541 -6.419 1.00 0.00 O ATOM 72 OE2 GLU A 4 -18.253 22.885 -4.720 1.00 0.00 O ATOM 0 H GLU A 4 -17.748 20.088 -6.546 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.993 19.771 -7.022 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.315 20.477 -4.381 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.717 20.938 -4.932 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.824 22.901 -5.334 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.069 22.123 -6.885 1.00 0.00 H new ATOM 79 N GLU A 5 -14.121 17.943 -5.504 1.00 0.00 N ATOM 80 CA GLU A 5 -13.669 16.755 -4.804 1.00 0.00 C ATOM 81 C GLU A 5 -13.510 17.051 -3.320 1.00 0.00 C ATOM 82 O GLU A 5 -12.777 17.961 -2.938 1.00 0.00 O ATOM 83 CB GLU A 5 -12.337 16.264 -5.372 1.00 0.00 C ATOM 84 CG GLU A 5 -12.367 15.995 -6.867 1.00 0.00 C ATOM 85 CD GLU A 5 -11.062 15.426 -7.377 1.00 0.00 C ATOM 86 OE1 GLU A 5 -10.064 16.176 -7.434 1.00 0.00 O ATOM 87 OE2 GLU A 5 -11.027 14.224 -7.716 1.00 0.00 O ATOM 0 H GLU A 5 -13.382 18.462 -5.978 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.418 15.975 -4.941 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.568 17.007 -5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.047 15.350 -4.854 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.176 15.300 -7.092 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.587 16.922 -7.396 1.00 0.00 H new ATOM 94 N SER A 6 -14.187 16.273 -2.487 1.00 0.00 N ATOM 95 CA SER A 6 -14.100 16.437 -1.042 1.00 0.00 C ATOM 96 C SER A 6 -12.760 15.915 -0.524 1.00 0.00 C ATOM 97 O SER A 6 -12.413 16.106 0.642 1.00 0.00 O ATOM 98 CB SER A 6 -15.248 15.682 -0.377 1.00 0.00 C ATOM 99 OG SER A 6 -15.283 14.338 -0.823 1.00 0.00 O ATOM 0 H SER A 6 -14.805 15.519 -2.788 1.00 0.00 H new ATOM 0 HA SER A 6 -14.173 17.497 -0.799 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.129 15.709 0.706 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.194 16.172 -0.606 1.00 0.00 H new ATOM 0 HG SER A 6 -14.978 13.747 -0.103 1.00 0.00 H new ATOM 105 N ARG A 7 -12.024 15.241 -1.412 1.00 0.00 N ATOM 106 CA ARG A 7 -10.731 14.642 -1.080 1.00 0.00 C ATOM 107 C ARG A 7 -10.877 13.532 -0.046 1.00 0.00 C ATOM 108 O ARG A 7 -9.921 13.190 0.648 1.00 0.00 O ATOM 109 CB ARG A 7 -9.731 15.706 -0.607 1.00 0.00 C ATOM 110 CG ARG A 7 -9.134 16.509 -1.750 1.00 0.00 C ATOM 111 CD ARG A 7 -8.364 15.607 -2.706 1.00 0.00 C ATOM 112 NE ARG A 7 -6.917 15.621 -2.465 1.00 0.00 N ATOM 113 CZ ARG A 7 -6.276 14.834 -1.592 1.00 0.00 C ATOM 114 NH1 ARG A 7 -6.947 14.026 -0.777 1.00 0.00 N ATOM 115 NH2 ARG A 7 -4.950 14.861 -1.532 1.00 0.00 N ATOM 0 H ARG A 7 -12.309 15.096 -2.381 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.337 14.193 -1.992 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.231 16.385 0.084 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.928 15.221 -0.053 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.928 17.025 -2.291 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.469 17.276 -1.352 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -8.733 14.586 -2.610 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.559 15.922 -3.731 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.356 16.281 -3.004 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.966 13.999 -0.811 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.443 13.433 -0.118 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.424 15.480 -2.149 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.457 14.263 -0.868 1.00 0.00 H new ATOM 129 N SER A 8 -12.069 12.954 0.022 1.00 0.00 N ATOM 130 CA SER A 8 -12.322 11.814 0.886 1.00 0.00 C ATOM 131 C SER A 8 -11.557 10.595 0.368 1.00 0.00 C ATOM 132 O SER A 8 -12.015 9.894 -0.536 1.00 0.00 O ATOM 133 CB SER A 8 -13.825 11.525 0.940 1.00 0.00 C ATOM 134 OG SER A 8 -14.555 12.700 1.270 1.00 0.00 O ATOM 0 H SER A 8 -12.880 13.260 -0.516 1.00 0.00 H new ATOM 0 HA SER A 8 -11.977 12.040 1.895 1.00 0.00 H new ATOM 0 HB2 SER A 8 -14.161 11.142 -0.024 1.00 0.00 H new ATOM 0 HB3 SER A 8 -14.024 10.749 1.679 1.00 0.00 H new ATOM 0 HG SER A 8 -15.513 12.493 1.297 1.00 0.00 H new ATOM 140 N VAL A 9 -10.370 10.381 0.915 1.00 0.00 N ATOM 141 CA VAL A 9 -9.503 9.305 0.482 1.00 0.00 C ATOM 142 C VAL A 9 -9.386 8.234 1.559 1.00 0.00 C ATOM 143 O VAL A 9 -9.635 8.496 2.735 1.00 0.00 O ATOM 144 CB VAL A 9 -8.095 9.834 0.129 1.00 0.00 C ATOM 145 CG1 VAL A 9 -8.135 10.653 -1.150 1.00 0.00 C ATOM 146 CG2 VAL A 9 -7.529 10.665 1.269 1.00 0.00 C ATOM 0 H VAL A 9 -9.985 10.949 1.670 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.950 8.866 -0.410 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.442 8.976 -0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.134 11.016 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.493 10.030 -1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.807 11.501 -1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.537 11.027 0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.185 11.514 1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.458 10.051 2.167 1.00 0.00 H new ATOM 156 N PRO A 10 -9.031 7.011 1.158 1.00 0.00 N ATOM 157 CA PRO A 10 -8.864 5.891 2.084 1.00 0.00 C ATOM 158 C PRO A 10 -7.680 6.078 3.031 1.00 0.00 C ATOM 159 O PRO A 10 -7.781 5.805 4.229 1.00 0.00 O ATOM 160 CB PRO A 10 -8.607 4.680 1.176 1.00 0.00 C ATOM 161 CG PRO A 10 -8.905 5.129 -0.217 1.00 0.00 C ATOM 162 CD PRO A 10 -8.787 6.626 -0.233 1.00 0.00 C ATOM 0 HA PRO A 10 -9.740 5.786 2.724 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.575 4.341 1.263 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.243 3.841 1.458 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.207 4.680 -0.924 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.906 4.818 -0.516 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.801 6.946 -0.569 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.515 7.077 -0.907 1.00 0.00 H new ATOM 170 N VAL A 11 -6.561 6.551 2.493 1.00 0.00 N ATOM 171 CA VAL A 11 -5.322 6.621 3.257 1.00 0.00 C ATOM 172 C VAL A 11 -4.714 8.021 3.246 1.00 0.00 C ATOM 173 O VAL A 11 -4.829 8.760 2.266 1.00 0.00 O ATOM 174 CB VAL A 11 -4.273 5.612 2.730 1.00 0.00 C ATOM 175 CG1 VAL A 11 -4.746 4.182 2.938 1.00 0.00 C ATOM 176 CG2 VAL A 11 -3.971 5.859 1.258 1.00 0.00 C ATOM 0 H VAL A 11 -6.487 6.890 1.534 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.588 6.365 4.283 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.355 5.759 3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.993 3.491 2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.903 4.002 4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.682 4.027 2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.231 5.137 0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.886 5.749 0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.580 6.868 1.131 1.00 0.00 H new ATOM 186 N GLU A 12 -4.077 8.365 4.354 1.00 0.00 N ATOM 187 CA GLU A 12 -3.339 9.611 4.485 1.00 0.00 C ATOM 188 C GLU A 12 -1.880 9.320 4.816 1.00 0.00 C ATOM 189 O GLU A 12 -1.511 8.175 5.082 1.00 0.00 O ATOM 190 CB GLU A 12 -3.945 10.496 5.578 1.00 0.00 C ATOM 191 CG GLU A 12 -4.997 11.471 5.075 1.00 0.00 C ATOM 192 CD GLU A 12 -4.422 12.508 4.127 1.00 0.00 C ATOM 193 OE1 GLU A 12 -3.447 13.195 4.505 1.00 0.00 O ATOM 194 OE2 GLU A 12 -4.936 12.643 2.999 1.00 0.00 O ATOM 0 H GLU A 12 -4.057 7.784 5.192 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.400 10.142 3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.391 9.858 6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.145 11.058 6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.787 10.918 4.567 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.456 11.975 5.925 1.00 0.00 H new ATOM 201 N GLU A 13 -1.057 10.360 4.791 1.00 0.00 N ATOM 202 CA GLU A 13 0.364 10.229 5.092 1.00 0.00 C ATOM 203 C GLU A 13 0.587 9.849 6.554 1.00 0.00 C ATOM 204 O GLU A 13 0.088 10.521 7.461 1.00 0.00 O ATOM 205 CB GLU A 13 1.092 11.538 4.776 1.00 0.00 C ATOM 206 CG GLU A 13 0.865 12.030 3.358 1.00 0.00 C ATOM 207 CD GLU A 13 1.634 13.296 3.048 1.00 0.00 C ATOM 208 OE1 GLU A 13 1.217 14.373 3.522 1.00 0.00 O ATOM 209 OE2 GLU A 13 2.652 13.222 2.323 1.00 0.00 O ATOM 0 H GLU A 13 -1.351 11.310 4.564 1.00 0.00 H new ATOM 0 HA GLU A 13 0.768 9.432 4.468 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.762 12.306 5.476 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.161 11.398 4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.159 11.250 2.656 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.199 12.210 3.206 1.00 0.00 H new ATOM 216 N GLY A 14 1.313 8.761 6.772 1.00 0.00 N ATOM 217 CA GLY A 14 1.709 8.374 8.113 1.00 0.00 C ATOM 218 C GLY A 14 0.794 7.342 8.743 1.00 0.00 C ATOM 219 O GLY A 14 0.753 7.218 9.967 1.00 0.00 O ATOM 0 H GLY A 14 1.638 8.133 6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.724 7.977 8.083 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.732 9.261 8.746 1.00 0.00 H new ATOM 223 N GLU A 15 0.080 6.584 7.925 1.00 0.00 N ATOM 224 CA GLU A 15 -0.862 5.597 8.452 1.00 0.00 C ATOM 225 C GLU A 15 -0.309 4.185 8.306 1.00 0.00 C ATOM 226 O GLU A 15 0.719 3.982 7.670 1.00 0.00 O ATOM 227 CB GLU A 15 -2.215 5.700 7.750 1.00 0.00 C ATOM 228 CG GLU A 15 -2.885 7.055 7.907 1.00 0.00 C ATOM 229 CD GLU A 15 -4.336 7.035 7.479 1.00 0.00 C ATOM 230 OE1 GLU A 15 -4.619 6.649 6.328 1.00 0.00 O ATOM 231 OE2 GLU A 15 -5.205 7.385 8.302 1.00 0.00 O ATOM 0 H GLU A 15 0.130 6.628 6.907 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.003 5.811 9.512 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.080 5.493 6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.878 4.929 8.144 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.821 7.370 8.948 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.345 7.795 7.316 1.00 0.00 H new ATOM 238 N VAL A 16 -0.992 3.215 8.900 1.00 0.00 N ATOM 239 CA VAL A 16 -0.564 1.824 8.828 1.00 0.00 C ATOM 240 C VAL A 16 -1.773 0.895 8.697 1.00 0.00 C ATOM 241 O VAL A 16 -2.739 1.005 9.453 1.00 0.00 O ATOM 242 CB VAL A 16 0.293 1.428 10.058 1.00 0.00 C ATOM 243 CG1 VAL A 16 -0.475 1.634 11.356 1.00 0.00 C ATOM 244 CG2 VAL A 16 0.779 -0.012 9.942 1.00 0.00 C ATOM 0 H VAL A 16 -1.846 3.366 9.438 1.00 0.00 H new ATOM 0 HA VAL A 16 0.059 1.716 7.940 1.00 0.00 H new ATOM 0 HB VAL A 16 1.165 2.082 10.078 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.153 1.347 12.200 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.754 2.683 11.451 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.375 1.019 11.348 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.378 -0.266 10.817 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.079 -0.682 9.883 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.386 -0.120 9.043 1.00 0.00 H new ATOM 254 N TYR A 17 -1.727 0.004 7.713 1.00 0.00 N ATOM 255 CA TYR A 17 -2.838 -0.907 7.453 1.00 0.00 C ATOM 256 C TYR A 17 -2.347 -2.330 7.222 1.00 0.00 C ATOM 257 O TYR A 17 -1.296 -2.543 6.612 1.00 0.00 O ATOM 258 CB TYR A 17 -3.640 -0.441 6.233 1.00 0.00 C ATOM 259 CG TYR A 17 -4.341 0.882 6.434 1.00 0.00 C ATOM 260 CD1 TYR A 17 -3.667 2.083 6.253 1.00 0.00 C ATOM 261 CD2 TYR A 17 -5.674 0.930 6.819 1.00 0.00 C ATOM 262 CE1 TYR A 17 -4.301 3.291 6.448 1.00 0.00 C ATOM 263 CE2 TYR A 17 -6.315 2.136 7.018 1.00 0.00 C ATOM 264 CZ TYR A 17 -5.624 3.313 6.830 1.00 0.00 C ATOM 265 OH TYR A 17 -6.257 4.515 7.039 1.00 0.00 O ATOM 0 H TYR A 17 -0.933 -0.108 7.082 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.479 -0.900 8.334 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.969 -0.360 5.378 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.381 -1.201 5.985 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.629 2.070 5.955 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.218 0.009 6.965 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.763 4.216 6.302 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.352 2.157 7.319 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.809 5.215 6.520 1.00 0.00 H new ATOM 275 N ASP A 18 -3.108 -3.298 7.721 1.00 0.00 N ATOM 276 CA ASP A 18 -2.828 -4.708 7.471 1.00 0.00 C ATOM 277 C ASP A 18 -3.391 -5.098 6.114 1.00 0.00 C ATOM 278 O ASP A 18 -4.571 -5.429 5.989 1.00 0.00 O ATOM 279 CB ASP A 18 -3.442 -5.604 8.557 1.00 0.00 C ATOM 280 CG ASP A 18 -2.814 -5.407 9.921 1.00 0.00 C ATOM 281 OD1 ASP A 18 -3.045 -4.348 10.545 1.00 0.00 O ATOM 282 OD2 ASP A 18 -2.090 -6.314 10.382 1.00 0.00 O ATOM 0 H ASP A 18 -3.928 -3.131 8.304 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.747 -4.850 7.487 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.511 -5.401 8.624 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.333 -6.648 8.262 1.00 0.00 H new ATOM 287 N VAL A 19 -2.556 -5.038 5.093 1.00 0.00 N ATOM 288 CA VAL A 19 -3.011 -5.257 3.731 1.00 0.00 C ATOM 289 C VAL A 19 -2.457 -6.551 3.161 1.00 0.00 C ATOM 290 O VAL A 19 -1.456 -7.086 3.642 1.00 0.00 O ATOM 291 CB VAL A 19 -2.601 -4.100 2.801 1.00 0.00 C ATOM 292 CG1 VAL A 19 -3.191 -2.783 3.281 1.00 0.00 C ATOM 293 CG2 VAL A 19 -1.086 -4.017 2.702 1.00 0.00 C ATOM 0 H VAL A 19 -1.559 -4.840 5.180 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.098 -5.315 3.779 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.000 -4.297 1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.887 -1.981 2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.279 -2.854 3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.831 -2.568 4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.809 -3.195 2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.666 -3.844 3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.696 -4.952 2.301 1.00 0.00 H new ATOM 303 N THR A 20 -3.124 -7.047 2.141 1.00 0.00 N ATOM 304 CA THR A 20 -2.636 -8.181 1.393 1.00 0.00 C ATOM 305 C THR A 20 -2.271 -7.722 -0.012 1.00 0.00 C ATOM 306 O THR A 20 -3.079 -7.083 -0.687 1.00 0.00 O ATOM 307 CB THR A 20 -3.694 -9.298 1.326 1.00 0.00 C ATOM 308 OG1 THR A 20 -4.229 -9.537 2.635 1.00 0.00 O ATOM 309 CG2 THR A 20 -3.094 -10.585 0.787 1.00 0.00 C ATOM 0 H THR A 20 -4.015 -6.677 1.810 1.00 0.00 H new ATOM 0 HA THR A 20 -1.757 -8.586 1.895 1.00 0.00 H new ATOM 0 HB THR A 20 -4.488 -8.975 0.653 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.903 -10.247 2.588 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.862 -11.357 0.750 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.704 -10.413 -0.216 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.284 -10.910 1.440 1.00 0.00 H new ATOM 317 N ILE A 21 -1.047 -8.000 -0.430 1.00 0.00 N ATOM 318 CA ILE A 21 -0.590 -7.596 -1.748 1.00 0.00 C ATOM 319 C ILE A 21 -1.306 -8.404 -2.826 1.00 0.00 C ATOM 320 O ILE A 21 -0.967 -9.559 -3.084 1.00 0.00 O ATOM 321 CB ILE A 21 0.935 -7.766 -1.887 1.00 0.00 C ATOM 322 CG1 ILE A 21 1.655 -7.007 -0.767 1.00 0.00 C ATOM 323 CG2 ILE A 21 1.408 -7.283 -3.249 1.00 0.00 C ATOM 324 CD1 ILE A 21 1.383 -5.514 -0.759 1.00 0.00 C ATOM 0 H ILE A 21 -0.354 -8.503 0.124 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.827 -6.540 -1.875 1.00 0.00 H new ATOM 0 HB ILE A 21 1.175 -8.826 -1.801 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.354 -7.426 0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.728 -7.170 -0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.488 -7.412 -3.326 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.917 -7.862 -4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.159 -6.228 -3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.928 -5.049 0.062 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.710 -5.079 -1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.315 -5.339 -0.630 1.00 0.00 H new ATOM 336 N GLN A 22 -2.313 -7.792 -3.434 1.00 0.00 N ATOM 337 CA GLN A 22 -3.149 -8.475 -4.410 1.00 0.00 C ATOM 338 C GLN A 22 -2.488 -8.503 -5.780 1.00 0.00 C ATOM 339 O GLN A 22 -2.637 -9.468 -6.533 1.00 0.00 O ATOM 340 CB GLN A 22 -4.513 -7.789 -4.506 1.00 0.00 C ATOM 341 CG GLN A 22 -5.256 -7.715 -3.181 1.00 0.00 C ATOM 342 CD GLN A 22 -5.502 -9.079 -2.565 1.00 0.00 C ATOM 343 OE1 GLN A 22 -4.688 -9.581 -1.796 1.00 0.00 O ATOM 344 NE2 GLN A 22 -6.626 -9.687 -2.894 1.00 0.00 N ATOM 0 H GLN A 22 -2.571 -6.819 -3.267 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.283 -9.504 -4.075 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.375 -6.779 -4.892 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.129 -8.325 -5.228 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.683 -7.105 -2.483 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.212 -7.213 -3.334 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.279 -9.239 -3.537 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.842 -10.605 -2.506 1.00 0.00 H new ATOM 353 N ASP A 23 -1.763 -7.446 -6.110 1.00 0.00 N ATOM 354 CA ASP A 23 -1.111 -7.366 -7.410 1.00 0.00 C ATOM 355 C ASP A 23 0.293 -6.791 -7.262 1.00 0.00 C ATOM 356 O ASP A 23 0.650 -6.318 -6.189 1.00 0.00 O ATOM 357 CB ASP A 23 -1.954 -6.512 -8.360 1.00 0.00 C ATOM 358 CG ASP A 23 -1.488 -6.589 -9.798 1.00 0.00 C ATOM 359 OD1 ASP A 23 -0.990 -7.658 -10.208 1.00 0.00 O ATOM 360 OD2 ASP A 23 -1.637 -5.592 -10.529 1.00 0.00 O ATOM 0 H ASP A 23 -1.611 -6.639 -5.504 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.023 -8.368 -7.830 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.994 -6.834 -8.303 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.924 -5.474 -8.029 1.00 0.00 H new ATOM 365 N ILE A 24 1.082 -6.839 -8.327 1.00 0.00 N ATOM 366 CA ILE A 24 2.445 -6.331 -8.302 1.00 0.00 C ATOM 367 C ILE A 24 2.795 -5.727 -9.654 1.00 0.00 C ATOM 368 O ILE A 24 2.544 -6.331 -10.699 1.00 0.00 O ATOM 369 CB ILE A 24 3.481 -7.432 -7.951 1.00 0.00 C ATOM 370 CG1 ILE A 24 3.364 -7.840 -6.479 1.00 0.00 C ATOM 371 CG2 ILE A 24 4.900 -6.963 -8.256 1.00 0.00 C ATOM 372 CD1 ILE A 24 4.418 -8.831 -6.038 1.00 0.00 C ATOM 0 H ILE A 24 0.797 -7.228 -9.226 1.00 0.00 H new ATOM 0 HA ILE A 24 2.490 -5.571 -7.522 1.00 0.00 H new ATOM 0 HB ILE A 24 3.265 -8.302 -8.571 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.434 -6.948 -5.857 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.378 -8.271 -6.308 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.607 -7.753 -8.001 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.985 -6.728 -9.317 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.123 -6.073 -7.668 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.272 -9.073 -4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.335 -9.740 -6.634 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.408 -8.395 -6.176 1.00 0.00 H new ATOM 384 N ALA A 25 3.350 -4.529 -9.627 1.00 0.00 N ATOM 385 CA ALA A 25 3.814 -3.879 -10.835 1.00 0.00 C ATOM 386 C ALA A 25 5.213 -4.377 -11.171 1.00 0.00 C ATOM 387 O ALA A 25 6.012 -4.639 -10.267 1.00 0.00 O ATOM 388 CB ALA A 25 3.794 -2.371 -10.657 1.00 0.00 C ATOM 0 H ALA A 25 3.490 -3.985 -8.775 1.00 0.00 H new ATOM 0 HA ALA A 25 3.150 -4.125 -11.664 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.145 -1.892 -11.571 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.777 -2.043 -10.443 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.446 -2.094 -9.829 1.00 0.00 H new ATOM 394 N ARG A 26 5.501 -4.514 -12.462 1.00 0.00 N ATOM 395 CA ARG A 26 6.755 -5.112 -12.915 1.00 0.00 C ATOM 396 C ARG A 26 7.965 -4.276 -12.517 1.00 0.00 C ATOM 397 O ARG A 26 8.375 -3.361 -13.232 1.00 0.00 O ATOM 398 CB ARG A 26 6.726 -5.344 -14.422 1.00 0.00 C ATOM 399 CG ARG A 26 5.728 -6.410 -14.838 1.00 0.00 C ATOM 400 CD ARG A 26 5.763 -6.665 -16.331 1.00 0.00 C ATOM 401 NE ARG A 26 5.210 -5.554 -17.101 1.00 0.00 N ATOM 402 CZ ARG A 26 4.652 -5.694 -18.304 1.00 0.00 C ATOM 403 NH1 ARG A 26 4.534 -6.900 -18.849 1.00 0.00 N ATOM 404 NH2 ARG A 26 4.193 -4.631 -18.952 1.00 0.00 N ATOM 0 H ARG A 26 4.881 -4.218 -13.216 1.00 0.00 H new ATOM 0 HA ARG A 26 6.854 -6.076 -12.416 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.480 -4.408 -14.924 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.721 -5.634 -14.759 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.944 -7.337 -14.306 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.724 -6.101 -14.546 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.793 -6.842 -16.642 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.202 -7.573 -16.555 1.00 0.00 H new ATOM 0 HE ARG A 26 5.253 -4.619 -16.696 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.871 -7.722 -18.347 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.107 -7.004 -19.769 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.267 -3.705 -18.530 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.766 -4.740 -19.872 1.00 0.00 H new ATOM 418 N GLN A 27 8.518 -4.633 -11.362 1.00 0.00 N ATOM 419 CA GLN A 27 9.649 -3.947 -10.742 1.00 0.00 C ATOM 420 C GLN A 27 9.769 -4.422 -9.301 1.00 0.00 C ATOM 421 O GLN A 27 10.854 -4.429 -8.716 1.00 0.00 O ATOM 422 CB GLN A 27 9.479 -2.420 -10.777 1.00 0.00 C ATOM 423 CG GLN A 27 10.625 -1.655 -10.123 1.00 0.00 C ATOM 424 CD GLN A 27 11.980 -1.961 -10.736 1.00 0.00 C ATOM 425 OE1 GLN A 27 12.006 -2.219 -12.034 1.00 0.00 O flip ATOM 426 NE2 GLN A 27 13.001 -1.940 -10.047 1.00 0.00 N flip ATOM 0 H GLN A 27 8.184 -5.428 -10.817 1.00 0.00 H new ATOM 0 HA GLN A 27 10.553 -4.185 -11.302 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.386 -2.098 -11.814 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.547 -2.157 -10.277 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.431 -0.585 -10.204 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.653 -1.895 -9.060 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.939 -1.737 -9.049 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.908 -2.126 -10.474 1.00 0.00 H new ATOM 435 N GLY A 28 8.638 -4.836 -8.743 1.00 0.00 N ATOM 436 CA GLY A 28 8.618 -5.341 -7.387 1.00 0.00 C ATOM 437 C GLY A 28 7.709 -4.534 -6.484 1.00 0.00 C ATOM 438 O GLY A 28 7.683 -4.744 -5.270 1.00 0.00 O ATOM 0 H GLY A 28 7.731 -4.830 -9.210 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.289 -6.380 -7.394 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.630 -5.330 -6.983 1.00 0.00 H new ATOM 442 N ASP A 29 6.967 -3.610 -7.075 1.00 0.00 N ATOM 443 CA ASP A 29 6.055 -2.762 -6.317 1.00 0.00 C ATOM 444 C ASP A 29 4.739 -3.479 -6.086 1.00 0.00 C ATOM 445 O ASP A 29 4.008 -3.772 -7.034 1.00 0.00 O ATOM 446 CB ASP A 29 5.781 -1.453 -7.057 1.00 0.00 C ATOM 447 CG ASP A 29 7.044 -0.708 -7.424 1.00 0.00 C ATOM 448 OD1 ASP A 29 7.646 -1.034 -8.465 1.00 0.00 O ATOM 449 OD2 ASP A 29 7.435 0.214 -6.681 1.00 0.00 O ATOM 0 H ASP A 29 6.977 -3.427 -8.078 1.00 0.00 H new ATOM 0 HA ASP A 29 6.528 -2.540 -5.361 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.215 -1.666 -7.964 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.156 -0.813 -6.434 1.00 0.00 H new ATOM 454 N GLY A 30 4.448 -3.769 -4.832 1.00 0.00 N ATOM 455 CA GLY A 30 3.194 -4.398 -4.493 1.00 0.00 C ATOM 456 C GLY A 30 2.035 -3.443 -4.640 1.00 0.00 C ATOM 457 O GLY A 30 2.050 -2.348 -4.080 1.00 0.00 O ATOM 0 H GLY A 30 5.061 -3.579 -4.039 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.036 -5.264 -5.135 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.236 -4.765 -3.467 1.00 0.00 H new ATOM 461 N ILE A 31 1.039 -3.854 -5.398 1.00 0.00 N ATOM 462 CA ILE A 31 -0.119 -3.026 -5.655 1.00 0.00 C ATOM 463 C ILE A 31 -1.235 -3.344 -4.671 1.00 0.00 C ATOM 464 O ILE A 31 -1.858 -4.416 -4.730 1.00 0.00 O ATOM 465 CB ILE A 31 -0.632 -3.205 -7.102 1.00 0.00 C ATOM 466 CG1 ILE A 31 0.432 -2.731 -8.100 1.00 0.00 C ATOM 467 CG2 ILE A 31 -1.940 -2.449 -7.307 1.00 0.00 C ATOM 468 CD1 ILE A 31 0.039 -2.919 -9.549 1.00 0.00 C ATOM 0 H ILE A 31 1.010 -4.767 -5.851 1.00 0.00 H new ATOM 0 HA ILE A 31 0.187 -1.988 -5.526 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.825 -4.264 -7.276 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.637 -1.675 -7.923 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.359 -3.272 -7.912 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.284 -2.588 -8.332 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.693 -2.830 -6.617 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.780 -1.387 -7.119 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.842 -2.561 -10.193 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.138 -3.977 -9.744 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.871 -2.355 -9.755 1.00 0.00 H new ATOM 480 N ALA A 32 -1.446 -2.422 -3.740 1.00 0.00 N ATOM 481 CA ALA A 32 -2.564 -2.499 -2.819 1.00 0.00 C ATOM 482 C ALA A 32 -3.676 -1.582 -3.305 1.00 0.00 C ATOM 483 O ALA A 32 -3.647 -0.373 -3.073 1.00 0.00 O ATOM 484 CB ALA A 32 -2.133 -2.127 -1.406 1.00 0.00 C ATOM 0 H ALA A 32 -0.849 -1.606 -3.605 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.932 -3.525 -2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.990 -2.193 -0.735 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.356 -2.813 -1.070 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.745 -1.108 -1.400 1.00 0.00 H new ATOM 490 N ARG A 33 -4.630 -2.156 -4.017 1.00 0.00 N ATOM 491 CA ARG A 33 -5.710 -1.386 -4.611 1.00 0.00 C ATOM 492 C ARG A 33 -6.927 -1.334 -3.694 1.00 0.00 C ATOM 493 O ARG A 33 -7.778 -2.223 -3.713 1.00 0.00 O ATOM 494 CB ARG A 33 -6.089 -1.964 -5.979 1.00 0.00 C ATOM 495 CG ARG A 33 -6.210 -3.482 -5.996 1.00 0.00 C ATOM 496 CD ARG A 33 -6.664 -3.995 -7.352 1.00 0.00 C ATOM 497 NE ARG A 33 -8.009 -3.530 -7.689 1.00 0.00 N ATOM 498 CZ ARG A 33 -8.590 -3.732 -8.869 1.00 0.00 C ATOM 499 NH1 ARG A 33 -7.955 -4.404 -9.822 1.00 0.00 N ATOM 500 NH2 ARG A 33 -9.810 -3.268 -9.089 1.00 0.00 N ATOM 0 H ARG A 33 -4.679 -3.158 -4.199 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.356 -0.364 -4.749 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.038 -1.530 -6.295 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.340 -1.661 -6.711 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.248 -3.927 -5.743 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.919 -3.799 -5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.963 -3.664 -8.118 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.646 -5.085 -7.352 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.533 -3.021 -6.977 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.018 -4.768 -9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.405 -4.556 -10.725 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.301 -2.758 -8.355 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.259 -3.421 -9.992 1.00 0.00 H new ATOM 514 N ILE A 34 -7.003 -0.288 -2.887 1.00 0.00 N ATOM 515 CA ILE A 34 -8.126 -0.111 -1.984 1.00 0.00 C ATOM 516 C ILE A 34 -9.237 0.661 -2.672 1.00 0.00 C ATOM 517 O ILE A 34 -9.097 1.849 -2.964 1.00 0.00 O ATOM 518 CB ILE A 34 -7.717 0.604 -0.685 1.00 0.00 C ATOM 519 CG1 ILE A 34 -6.699 -0.248 0.072 1.00 0.00 C ATOM 520 CG2 ILE A 34 -8.940 0.883 0.182 1.00 0.00 C ATOM 521 CD1 ILE A 34 -6.286 0.344 1.398 1.00 0.00 C ATOM 0 H ILE A 34 -6.301 0.450 -2.840 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.485 -1.104 -1.715 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.259 1.561 -0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.120 -1.239 0.241 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.813 -0.380 -0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.630 1.389 1.096 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.637 1.517 -0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.428 -0.058 0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.562 -0.313 1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.835 1.323 1.235 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.162 0.450 2.038 1.00 0.00 H new ATOM 533 N GLU A 35 -10.322 -0.050 -2.953 1.00 0.00 N ATOM 534 CA GLU A 35 -11.477 0.495 -3.680 1.00 0.00 C ATOM 535 C GLU A 35 -11.092 1.041 -5.055 1.00 0.00 C ATOM 536 O GLU A 35 -11.885 1.725 -5.702 1.00 0.00 O ATOM 537 CB GLU A 35 -12.171 1.594 -2.876 1.00 0.00 C ATOM 538 CG GLU A 35 -12.897 1.091 -1.642 1.00 0.00 C ATOM 539 CD GLU A 35 -13.796 2.147 -1.044 1.00 0.00 C ATOM 540 OE1 GLU A 35 -14.875 2.406 -1.621 1.00 0.00 O ATOM 541 OE2 GLU A 35 -13.424 2.738 -0.012 1.00 0.00 O ATOM 0 H GLU A 35 -10.432 -1.028 -2.684 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.166 -0.337 -3.823 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.428 2.332 -2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.885 2.106 -3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.491 0.215 -1.903 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.168 0.772 -0.897 1.00 0.00 H new ATOM 548 N GLY A 36 -9.890 0.724 -5.506 1.00 0.00 N ATOM 549 CA GLY A 36 -9.436 1.207 -6.792 1.00 0.00 C ATOM 550 C GLY A 36 -8.237 2.125 -6.671 1.00 0.00 C ATOM 551 O GLY A 36 -7.515 2.340 -7.644 1.00 0.00 O ATOM 0 H GLY A 36 -9.220 0.141 -5.005 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.179 0.359 -7.426 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.249 1.739 -7.286 1.00 0.00 H new ATOM 555 N PHE A 37 -8.025 2.677 -5.482 1.00 0.00 N ATOM 556 CA PHE A 37 -6.873 3.534 -5.240 1.00 0.00 C ATOM 557 C PHE A 37 -5.609 2.683 -5.157 1.00 0.00 C ATOM 558 O PHE A 37 -5.543 1.734 -4.374 1.00 0.00 O ATOM 559 CB PHE A 37 -7.063 4.343 -3.954 1.00 0.00 C ATOM 560 CG PHE A 37 -5.987 5.366 -3.722 1.00 0.00 C ATOM 561 CD1 PHE A 37 -6.003 6.573 -4.402 1.00 0.00 C ATOM 562 CD2 PHE A 37 -4.960 5.120 -2.826 1.00 0.00 C ATOM 563 CE1 PHE A 37 -5.014 7.518 -4.193 1.00 0.00 C ATOM 564 CE2 PHE A 37 -3.969 6.059 -2.613 1.00 0.00 C ATOM 565 CZ PHE A 37 -3.995 7.259 -3.297 1.00 0.00 C ATOM 0 H PHE A 37 -8.634 2.547 -4.674 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.774 4.236 -6.068 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -8.029 4.846 -3.991 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.092 3.659 -3.106 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.797 6.779 -5.104 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.933 4.184 -2.288 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.039 8.455 -4.729 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.174 5.855 -1.911 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.220 7.993 -3.132 1.00 0.00 H new ATOM 575 N VAL A 38 -4.616 3.022 -5.968 1.00 0.00 N ATOM 576 CA VAL A 38 -3.412 2.212 -6.078 1.00 0.00 C ATOM 577 C VAL A 38 -2.319 2.696 -5.129 1.00 0.00 C ATOM 578 O VAL A 38 -1.778 3.795 -5.280 1.00 0.00 O ATOM 579 CB VAL A 38 -2.868 2.207 -7.525 1.00 0.00 C ATOM 580 CG1 VAL A 38 -1.589 1.391 -7.620 1.00 0.00 C ATOM 581 CG2 VAL A 38 -3.917 1.669 -8.486 1.00 0.00 C ATOM 0 H VAL A 38 -4.621 3.853 -6.559 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.693 1.196 -5.800 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.636 3.235 -7.805 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.226 1.402 -8.648 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.833 1.821 -6.963 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.790 0.363 -7.318 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.517 1.673 -9.500 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.181 0.650 -8.203 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.806 2.299 -8.444 1.00 0.00 H new ATOM 591 N ILE A 39 -2.018 1.868 -4.143 1.00 0.00 N ATOM 592 CA ILE A 39 -0.914 2.119 -3.231 1.00 0.00 C ATOM 593 C ILE A 39 0.267 1.227 -3.604 1.00 0.00 C ATOM 594 O ILE A 39 0.115 0.011 -3.730 1.00 0.00 O ATOM 595 CB ILE A 39 -1.325 1.838 -1.770 1.00 0.00 C ATOM 596 CG1 ILE A 39 -2.586 2.627 -1.417 1.00 0.00 C ATOM 597 CG2 ILE A 39 -0.189 2.190 -0.814 1.00 0.00 C ATOM 598 CD1 ILE A 39 -3.217 2.213 -0.107 1.00 0.00 C ATOM 0 H ILE A 39 -2.529 1.006 -3.952 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.632 3.169 -3.315 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.538 0.774 -1.668 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.339 3.688 -1.372 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.316 2.504 -2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.499 1.985 0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.688 1.590 -1.055 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.056 3.247 -0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.106 2.817 0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.496 1.161 -0.154 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.504 2.363 0.704 1.00 0.00 H new ATOM 610 N PHE A 40 1.430 1.831 -3.797 1.00 0.00 N ATOM 611 CA PHE A 40 2.624 1.084 -4.169 1.00 0.00 C ATOM 612 C PHE A 40 3.456 0.739 -2.942 1.00 0.00 C ATOM 613 O PHE A 40 3.873 1.622 -2.188 1.00 0.00 O ATOM 614 CB PHE A 40 3.474 1.874 -5.167 1.00 0.00 C ATOM 615 CG PHE A 40 2.845 2.011 -6.522 1.00 0.00 C ATOM 616 CD1 PHE A 40 2.890 0.962 -7.425 1.00 0.00 C ATOM 617 CD2 PHE A 40 2.216 3.188 -6.895 1.00 0.00 C ATOM 618 CE1 PHE A 40 2.318 1.083 -8.675 1.00 0.00 C ATOM 619 CE2 PHE A 40 1.642 3.315 -8.144 1.00 0.00 C ATOM 620 CZ PHE A 40 1.694 2.262 -9.036 1.00 0.00 C ATOM 0 H PHE A 40 1.573 2.836 -3.702 1.00 0.00 H new ATOM 0 HA PHE A 40 2.298 0.158 -4.642 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.663 2.868 -4.762 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.442 1.384 -5.274 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.378 0.039 -7.148 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.174 4.015 -6.201 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.358 0.257 -9.370 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.153 4.237 -8.423 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.248 2.360 -10.015 1.00 0.00 H new ATOM 630 N VAL A 41 3.680 -0.549 -2.740 1.00 0.00 N ATOM 631 CA VAL A 41 4.528 -1.021 -1.658 1.00 0.00 C ATOM 632 C VAL A 41 5.693 -1.818 -2.235 1.00 0.00 C ATOM 633 O VAL A 41 5.591 -3.029 -2.443 1.00 0.00 O ATOM 634 CB VAL A 41 3.749 -1.900 -0.656 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.607 -2.213 0.558 1.00 0.00 C ATOM 636 CG2 VAL A 41 2.452 -1.224 -0.236 1.00 0.00 C ATOM 0 H VAL A 41 3.283 -1.291 -3.316 1.00 0.00 H new ATOM 0 HA VAL A 41 4.897 -0.148 -1.119 1.00 0.00 H new ATOM 0 HB VAL A 41 3.497 -2.838 -1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.041 -2.833 1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.503 -2.747 0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.893 -1.284 1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.921 -1.863 0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.677 -0.268 0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.828 -1.056 -1.114 1.00 0.00 H new ATOM 646 N PRO A 42 6.803 -1.140 -2.539 1.00 0.00 N ATOM 647 CA PRO A 42 7.957 -1.757 -3.196 1.00 0.00 C ATOM 648 C PRO A 42 8.641 -2.800 -2.318 1.00 0.00 C ATOM 649 O PRO A 42 8.988 -2.529 -1.169 1.00 0.00 O ATOM 650 CB PRO A 42 8.904 -0.577 -3.463 1.00 0.00 C ATOM 651 CG PRO A 42 8.079 0.650 -3.268 1.00 0.00 C ATOM 652 CD PRO A 42 7.030 0.284 -2.262 1.00 0.00 C ATOM 0 HA PRO A 42 7.663 -2.293 -4.098 1.00 0.00 H new ATOM 0 HB2 PRO A 42 9.752 -0.592 -2.778 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.309 -0.620 -4.474 1.00 0.00 H new ATOM 0 HG2 PRO A 42 8.690 1.479 -2.911 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.626 0.969 -4.206 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.373 0.449 -1.241 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.121 0.872 -2.392 1.00 0.00 H new ATOM 660 N GLY A 43 8.823 -3.994 -2.868 1.00 0.00 N ATOM 661 CA GLY A 43 9.515 -5.046 -2.148 1.00 0.00 C ATOM 662 C GLY A 43 8.569 -6.002 -1.453 1.00 0.00 C ATOM 663 O GLY A 43 8.795 -6.388 -0.304 1.00 0.00 O ATOM 0 H GLY A 43 8.503 -4.253 -3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.142 -5.604 -2.843 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.179 -4.598 -1.409 1.00 0.00 H new ATOM 667 N THR A 44 7.509 -6.390 -2.145 1.00 0.00 N ATOM 668 CA THR A 44 6.537 -7.323 -1.595 1.00 0.00 C ATOM 669 C THR A 44 6.290 -8.493 -2.549 1.00 0.00 C ATOM 670 O THR A 44 6.988 -8.640 -3.557 1.00 0.00 O ATOM 671 CB THR A 44 5.211 -6.611 -1.293 1.00 0.00 C ATOM 672 OG1 THR A 44 4.886 -5.722 -2.368 1.00 0.00 O ATOM 673 CG2 THR A 44 5.289 -5.838 0.015 1.00 0.00 C ATOM 0 H THR A 44 7.299 -6.072 -3.091 1.00 0.00 H new ATOM 0 HA THR A 44 6.950 -7.716 -0.666 1.00 0.00 H new ATOM 0 HB THR A 44 4.430 -7.365 -1.194 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.236 -4.828 -2.171 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.336 -5.344 0.203 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.509 -6.526 0.832 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.079 -5.090 -0.051 1.00 0.00 H new ATOM 681 N LYS A 45 5.297 -9.317 -2.229 1.00 0.00 N ATOM 682 CA LYS A 45 4.999 -10.509 -3.012 1.00 0.00 C ATOM 683 C LYS A 45 3.488 -10.693 -3.140 1.00 0.00 C ATOM 684 O LYS A 45 2.733 -10.247 -2.279 1.00 0.00 O ATOM 685 CB LYS A 45 5.622 -11.735 -2.342 1.00 0.00 C ATOM 686 CG LYS A 45 5.380 -13.037 -3.087 1.00 0.00 C ATOM 687 CD LYS A 45 5.839 -14.234 -2.279 1.00 0.00 C ATOM 688 CE LYS A 45 5.067 -14.343 -0.975 1.00 0.00 C ATOM 689 NZ LYS A 45 5.602 -15.409 -0.090 1.00 0.00 N ATOM 0 H LYS A 45 4.682 -9.179 -1.427 1.00 0.00 H new ATOM 0 HA LYS A 45 5.421 -10.393 -4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.696 -11.577 -2.247 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.222 -11.827 -1.332 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.318 -13.135 -3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.909 -13.016 -4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.703 -15.144 -2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.905 -14.147 -2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.105 -13.387 -0.452 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.018 -14.547 -1.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.044 -15.445 0.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.543 -16.326 -0.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.595 -15.203 0.140 1.00 0.00 H new ATOM 703 N VAL A 46 3.055 -11.344 -4.215 1.00 0.00 N ATOM 704 CA VAL A 46 1.636 -11.606 -4.433 1.00 0.00 C ATOM 705 C VAL A 46 1.077 -12.505 -3.333 1.00 0.00 C ATOM 706 O VAL A 46 1.521 -13.641 -3.156 1.00 0.00 O ATOM 707 CB VAL A 46 1.380 -12.270 -5.804 1.00 0.00 C ATOM 708 CG1 VAL A 46 -0.113 -12.415 -6.065 1.00 0.00 C ATOM 709 CG2 VAL A 46 2.050 -11.476 -6.914 1.00 0.00 C ATOM 0 H VAL A 46 3.667 -11.700 -4.949 1.00 0.00 H new ATOM 0 HA VAL A 46 1.130 -10.641 -4.413 1.00 0.00 H new ATOM 0 HB VAL A 46 1.816 -13.269 -5.788 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.269 -12.885 -7.036 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.560 -13.033 -5.287 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.581 -11.430 -6.059 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.859 -11.958 -7.873 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.647 -10.463 -6.931 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.125 -11.436 -6.735 1.00 0.00 H new ATOM 719 N GLY A 47 0.110 -11.982 -2.592 1.00 0.00 N ATOM 720 CA GLY A 47 -0.502 -12.739 -1.520 1.00 0.00 C ATOM 721 C GLY A 47 0.145 -12.465 -0.178 1.00 0.00 C ATOM 722 O GLY A 47 -0.229 -13.060 0.831 1.00 0.00 O ATOM 0 H GLY A 47 -0.263 -11.041 -2.716 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.563 -12.494 -1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.431 -13.803 -1.744 1.00 0.00 H new ATOM 726 N ASP A 48 1.124 -11.570 -0.165 1.00 0.00 N ATOM 727 CA ASP A 48 1.840 -11.239 1.062 1.00 0.00 C ATOM 728 C ASP A 48 0.990 -10.336 1.954 1.00 0.00 C ATOM 729 O ASP A 48 0.593 -9.241 1.548 1.00 0.00 O ATOM 730 CB ASP A 48 3.176 -10.571 0.730 1.00 0.00 C ATOM 731 CG ASP A 48 4.104 -10.473 1.923 1.00 0.00 C ATOM 732 OD1 ASP A 48 4.300 -11.496 2.620 1.00 0.00 O ATOM 733 OD2 ASP A 48 4.677 -9.392 2.147 1.00 0.00 O ATOM 0 H ASP A 48 1.441 -11.060 -0.989 1.00 0.00 H new ATOM 0 HA ASP A 48 2.041 -12.161 1.608 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.670 -11.134 -0.062 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.988 -9.571 0.340 1.00 0.00 H new ATOM 738 N GLU A 49 0.690 -10.815 3.154 1.00 0.00 N ATOM 739 CA GLU A 49 -0.126 -10.072 4.110 1.00 0.00 C ATOM 740 C GLU A 49 0.760 -9.361 5.135 1.00 0.00 C ATOM 741 O GLU A 49 1.351 -9.998 6.008 1.00 0.00 O ATOM 742 CB GLU A 49 -1.106 -11.024 4.812 1.00 0.00 C ATOM 743 CG GLU A 49 -0.457 -12.320 5.281 1.00 0.00 C ATOM 744 CD GLU A 49 -1.393 -13.207 6.074 1.00 0.00 C ATOM 745 OE1 GLU A 49 -2.298 -13.818 5.467 1.00 0.00 O ATOM 746 OE2 GLU A 49 -1.211 -13.320 7.307 1.00 0.00 O ATOM 0 H GLU A 49 1.003 -11.725 3.493 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.696 -9.315 3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.545 -10.515 5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.923 -11.261 4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.094 -12.871 4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.412 -12.082 5.894 1.00 0.00 H new ATOM 753 N VAL A 50 0.849 -8.042 5.032 1.00 0.00 N ATOM 754 CA VAL A 50 1.760 -7.272 5.873 1.00 0.00 C ATOM 755 C VAL A 50 1.140 -5.969 6.352 1.00 0.00 C ATOM 756 O VAL A 50 0.167 -5.478 5.776 1.00 0.00 O ATOM 757 CB VAL A 50 3.076 -6.938 5.131 1.00 0.00 C ATOM 758 CG1 VAL A 50 3.921 -8.184 4.938 1.00 0.00 C ATOM 759 CG2 VAL A 50 2.786 -6.277 3.788 1.00 0.00 C ATOM 0 H VAL A 50 0.304 -7.482 4.377 1.00 0.00 H new ATOM 0 HA VAL A 50 1.971 -7.906 6.734 1.00 0.00 H new ATOM 0 HB VAL A 50 3.639 -6.236 5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.840 -7.923 4.414 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.166 -8.611 5.910 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.364 -8.914 4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.725 -6.051 3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.196 -6.953 3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.229 -5.354 3.949 1.00 0.00 H new ATOM 769 N ARG A 51 1.709 -5.419 7.415 1.00 0.00 N ATOM 770 CA ARG A 51 1.345 -4.091 7.868 1.00 0.00 C ATOM 771 C ARG A 51 2.170 -3.069 7.118 1.00 0.00 C ATOM 772 O ARG A 51 3.388 -2.982 7.297 1.00 0.00 O ATOM 773 CB ARG A 51 1.569 -3.934 9.370 1.00 0.00 C ATOM 774 CG ARG A 51 0.645 -4.793 10.210 1.00 0.00 C ATOM 775 CD ARG A 51 0.908 -4.616 11.696 1.00 0.00 C ATOM 776 NE ARG A 51 2.281 -4.965 12.060 1.00 0.00 N ATOM 777 CZ ARG A 51 2.782 -4.851 13.288 1.00 0.00 C ATOM 778 NH1 ARG A 51 2.026 -4.410 14.288 1.00 0.00 N ATOM 779 NH2 ARG A 51 4.042 -5.188 13.522 1.00 0.00 N ATOM 0 H ARG A 51 2.426 -5.876 7.979 1.00 0.00 H new ATOM 0 HA ARG A 51 0.284 -3.936 7.671 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.603 -4.189 9.604 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.429 -2.888 9.643 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.391 -4.535 9.991 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.777 -5.841 9.940 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.711 -3.581 11.977 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.215 -5.238 12.262 1.00 0.00 H new ATOM 0 HE ARG A 51 2.894 -5.319 11.325 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.053 -4.156 14.118 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.419 -4.326 15.226 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.627 -5.534 12.762 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.427 -5.101 14.463 1.00 0.00 H new ATOM 793 N ILE A 52 1.518 -2.323 6.254 1.00 0.00 N ATOM 794 CA ILE A 52 2.207 -1.310 5.483 1.00 0.00 C ATOM 795 C ILE A 52 2.044 0.056 6.124 1.00 0.00 C ATOM 796 O ILE A 52 0.943 0.451 6.514 1.00 0.00 O ATOM 797 CB ILE A 52 1.734 -1.240 4.016 1.00 0.00 C ATOM 798 CG1 ILE A 52 0.239 -0.912 3.932 1.00 0.00 C ATOM 799 CG2 ILE A 52 2.043 -2.549 3.303 1.00 0.00 C ATOM 800 CD1 ILE A 52 -0.229 -0.576 2.533 1.00 0.00 C ATOM 0 H ILE A 52 0.518 -2.397 6.068 1.00 0.00 H new ATOM 0 HA ILE A 52 3.258 -1.600 5.478 1.00 0.00 H new ATOM 0 HB ILE A 52 2.276 -0.436 3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.333 -1.763 4.303 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.022 -0.071 4.591 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.705 -2.488 2.269 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.118 -2.730 3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.528 -3.368 3.806 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.296 -0.355 2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.316 0.294 2.166 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.044 -1.424 1.874 1.00 0.00 H new ATOM 812 N LYS A 53 3.149 0.758 6.251 1.00 0.00 N ATOM 813 CA LYS A 53 3.134 2.120 6.727 1.00 0.00 C ATOM 814 C LYS A 53 3.059 3.048 5.529 1.00 0.00 C ATOM 815 O LYS A 53 4.040 3.200 4.800 1.00 0.00 O ATOM 816 CB LYS A 53 4.397 2.406 7.545 1.00 0.00 C ATOM 817 CG LYS A 53 4.463 3.804 8.147 1.00 0.00 C ATOM 818 CD LYS A 53 3.467 3.983 9.283 1.00 0.00 C ATOM 819 CE LYS A 53 3.726 5.269 10.048 1.00 0.00 C ATOM 820 NZ LYS A 53 2.901 5.362 11.282 1.00 0.00 N ATOM 0 H LYS A 53 4.078 0.401 6.028 1.00 0.00 H new ATOM 0 HA LYS A 53 2.270 2.280 7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.465 1.675 8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.268 2.259 6.906 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.471 3.993 8.516 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.264 4.543 7.371 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.453 3.994 8.882 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.532 3.134 9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.782 5.326 10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.512 6.122 9.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.472 5.765 12.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.079 5.974 11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.574 4.413 11.553 1.00 0.00 H new ATOM 834 N VAL A 54 1.888 3.620 5.297 1.00 0.00 N ATOM 835 CA VAL A 54 1.718 4.574 4.220 1.00 0.00 C ATOM 836 C VAL A 54 2.472 5.839 4.568 1.00 0.00 C ATOM 837 O VAL A 54 1.990 6.672 5.337 1.00 0.00 O ATOM 838 CB VAL A 54 0.230 4.903 3.959 1.00 0.00 C ATOM 839 CG1 VAL A 54 0.087 5.933 2.849 1.00 0.00 C ATOM 840 CG2 VAL A 54 -0.535 3.640 3.609 1.00 0.00 C ATOM 0 H VAL A 54 1.044 3.439 5.841 1.00 0.00 H new ATOM 0 HA VAL A 54 2.112 4.130 3.306 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.190 5.327 4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.969 6.147 2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.603 6.850 3.135 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.525 5.541 1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.581 3.887 3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.107 3.192 2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.467 2.933 4.435 1.00 0.00 H new ATOM 850 N GLU A 55 3.678 5.942 4.033 1.00 0.00 N ATOM 851 CA GLU A 55 4.569 7.042 4.342 1.00 0.00 C ATOM 852 C GLU A 55 3.990 8.352 3.833 1.00 0.00 C ATOM 853 O GLU A 55 3.913 9.335 4.572 1.00 0.00 O ATOM 854 CB GLU A 55 5.947 6.791 3.720 1.00 0.00 C ATOM 855 CG GLU A 55 6.598 5.490 4.167 1.00 0.00 C ATOM 856 CD GLU A 55 8.021 5.345 3.660 1.00 0.00 C ATOM 857 OE1 GLU A 55 8.209 5.177 2.437 1.00 0.00 O ATOM 858 OE2 GLU A 55 8.962 5.419 4.480 1.00 0.00 O ATOM 0 H GLU A 55 4.064 5.266 3.374 1.00 0.00 H new ATOM 0 HA GLU A 55 4.679 7.111 5.424 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.849 6.782 2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.606 7.621 3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.598 5.443 5.256 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.002 4.649 3.812 1.00 0.00 H new ATOM 865 N ARG A 56 3.556 8.349 2.579 1.00 0.00 N ATOM 866 CA ARG A 56 3.035 9.552 1.944 1.00 0.00 C ATOM 867 C ARG A 56 2.007 9.193 0.885 1.00 0.00 C ATOM 868 O ARG A 56 1.960 8.054 0.415 1.00 0.00 O ATOM 869 CB ARG A 56 4.157 10.372 1.299 1.00 0.00 C ATOM 870 CG ARG A 56 5.153 10.948 2.288 1.00 0.00 C ATOM 871 CD ARG A 56 6.062 11.964 1.627 1.00 0.00 C ATOM 872 NE ARG A 56 5.316 13.111 1.117 1.00 0.00 N ATOM 873 CZ ARG A 56 5.791 13.967 0.215 1.00 0.00 C ATOM 874 NH1 ARG A 56 7.007 13.794 -0.297 1.00 0.00 N ATOM 875 NH2 ARG A 56 5.054 14.997 -0.171 1.00 0.00 N ATOM 0 H ARG A 56 3.555 7.523 1.980 1.00 0.00 H new ATOM 0 HA ARG A 56 2.564 10.153 2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.691 9.741 0.589 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.714 11.189 0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.618 11.418 3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.753 10.143 2.714 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.807 12.306 2.345 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.603 11.489 0.808 1.00 0.00 H new ATOM 0 HE ARG A 56 4.373 13.266 1.474 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.578 13.003 0.001 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.368 14.452 -0.988 1.00 0.00 H new ATOM 0 HH21 ARG A 56 4.123 15.134 0.223 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.417 15.653 -0.862 1.00 0.00 H new ATOM 889 N VAL A 57 1.196 10.170 0.502 1.00 0.00 N ATOM 890 CA VAL A 57 0.179 9.968 -0.517 1.00 0.00 C ATOM 891 C VAL A 57 0.275 11.046 -1.591 1.00 0.00 C ATOM 892 O VAL A 57 0.463 12.226 -1.293 1.00 0.00 O ATOM 893 CB VAL A 57 -1.255 9.958 0.075 1.00 0.00 C ATOM 894 CG1 VAL A 57 -1.444 8.778 1.014 1.00 0.00 C ATOM 895 CG2 VAL A 57 -1.563 11.262 0.800 1.00 0.00 C ATOM 0 H VAL A 57 1.225 11.115 0.885 1.00 0.00 H new ATOM 0 HA VAL A 57 0.368 8.989 -0.958 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.953 9.858 -0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.457 8.792 1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.284 7.849 0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.727 8.846 1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.575 11.224 1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.853 11.402 1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.482 12.095 0.101 1.00 0.00 H new ATOM 905 N LEU A 58 0.183 10.625 -2.839 1.00 0.00 N ATOM 906 CA LEU A 58 0.161 11.542 -3.964 1.00 0.00 C ATOM 907 C LEU A 58 -1.222 11.502 -4.599 1.00 0.00 C ATOM 908 O LEU A 58 -1.948 10.521 -4.440 1.00 0.00 O ATOM 909 CB LEU A 58 1.243 11.181 -5.001 1.00 0.00 C ATOM 910 CG LEU A 58 2.698 11.469 -4.593 1.00 0.00 C ATOM 911 CD1 LEU A 58 2.844 12.903 -4.107 1.00 0.00 C ATOM 912 CD2 LEU A 58 3.184 10.486 -3.534 1.00 0.00 C ATOM 0 H LEU A 58 0.122 9.641 -3.101 1.00 0.00 H new ATOM 0 HA LEU A 58 0.377 12.549 -3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.156 10.119 -5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.031 11.726 -5.921 1.00 0.00 H new ATOM 0 HG LEU A 58 3.324 11.339 -5.476 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.880 13.087 -3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.559 13.588 -4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.197 13.062 -3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.215 10.718 -3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.554 10.565 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.130 9.471 -3.928 1.00 0.00 H new ATOM 924 N PRO A 59 -1.608 12.558 -5.327 1.00 0.00 N ATOM 925 CA PRO A 59 -2.950 12.674 -5.921 1.00 0.00 C ATOM 926 C PRO A 59 -3.314 11.518 -6.855 1.00 0.00 C ATOM 927 O PRO A 59 -4.483 11.324 -7.183 1.00 0.00 O ATOM 928 CB PRO A 59 -2.876 13.980 -6.712 1.00 0.00 C ATOM 929 CG PRO A 59 -1.776 14.752 -6.079 1.00 0.00 C ATOM 930 CD PRO A 59 -0.777 13.739 -5.613 1.00 0.00 C ATOM 0 HA PRO A 59 -3.719 12.653 -5.149 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.670 13.792 -7.766 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.819 14.525 -6.664 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.326 15.445 -6.790 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -2.147 15.347 -5.244 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.029 13.530 -6.377 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.241 14.079 -4.727 1.00 0.00 H new ATOM 938 N LYS A 60 -2.317 10.756 -7.286 1.00 0.00 N ATOM 939 CA LYS A 60 -2.556 9.675 -8.234 1.00 0.00 C ATOM 940 C LYS A 60 -2.212 8.304 -7.647 1.00 0.00 C ATOM 941 O LYS A 60 -2.664 7.280 -8.159 1.00 0.00 O ATOM 942 CB LYS A 60 -1.753 9.909 -9.517 1.00 0.00 C ATOM 943 CG LYS A 60 -2.109 11.198 -10.246 1.00 0.00 C ATOM 944 CD LYS A 60 -3.576 11.228 -10.651 1.00 0.00 C ATOM 945 CE LYS A 60 -3.909 12.456 -11.486 1.00 0.00 C ATOM 946 NZ LYS A 60 -3.715 13.724 -10.730 1.00 0.00 N ATOM 0 H LYS A 60 -1.345 10.864 -6.998 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.622 9.677 -8.463 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.691 9.925 -9.271 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.912 9.067 -10.191 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.891 12.051 -9.604 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.484 11.299 -11.133 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.815 10.328 -11.218 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.200 11.217 -9.757 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.282 12.467 -12.377 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.943 12.392 -11.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.050 14.525 -11.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.254 13.685 -9.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.705 13.850 -10.516 1.00 0.00 H new ATOM 960 N PHE A 61 -1.426 8.281 -6.573 1.00 0.00 N ATOM 961 CA PHE A 61 -0.947 7.022 -5.995 1.00 0.00 C ATOM 962 C PHE A 61 -0.283 7.268 -4.647 1.00 0.00 C ATOM 963 O PHE A 61 0.112 8.388 -4.345 1.00 0.00 O ATOM 964 CB PHE A 61 0.036 6.324 -6.949 1.00 0.00 C ATOM 965 CG PHE A 61 1.217 7.168 -7.351 1.00 0.00 C ATOM 966 CD1 PHE A 61 2.384 7.151 -6.606 1.00 0.00 C ATOM 967 CD2 PHE A 61 1.160 7.969 -8.480 1.00 0.00 C ATOM 968 CE1 PHE A 61 3.469 7.918 -6.978 1.00 0.00 C ATOM 969 CE2 PHE A 61 2.243 8.741 -8.856 1.00 0.00 C ATOM 970 CZ PHE A 61 3.399 8.715 -8.104 1.00 0.00 C ATOM 0 H PHE A 61 -1.106 9.117 -6.084 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.808 6.371 -5.846 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.400 5.413 -6.473 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.502 6.021 -7.848 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.446 6.531 -5.724 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.258 7.990 -9.074 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.374 7.895 -6.388 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.184 9.363 -9.737 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.248 9.316 -8.395 1.00 0.00 H new ATOM 980 N ALA A 62 -0.152 6.224 -3.842 1.00 0.00 N ATOM 981 CA ALA A 62 0.439 6.360 -2.515 1.00 0.00 C ATOM 982 C ALA A 62 1.681 5.491 -2.372 1.00 0.00 C ATOM 983 O ALA A 62 1.840 4.502 -3.088 1.00 0.00 O ATOM 984 CB ALA A 62 -0.579 6.000 -1.443 1.00 0.00 C ATOM 0 H ALA A 62 -0.445 5.277 -4.081 1.00 0.00 H new ATOM 0 HA ALA A 62 0.738 7.400 -2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.124 6.106 -0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.438 6.666 -1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.905 4.969 -1.583 1.00 0.00 H new ATOM 990 N PHE A 63 2.553 5.869 -1.444 1.00 0.00 N ATOM 991 CA PHE A 63 3.755 5.097 -1.146 1.00 0.00 C ATOM 992 C PHE A 63 3.686 4.535 0.265 1.00 0.00 C ATOM 993 O PHE A 63 3.328 5.247 1.206 1.00 0.00 O ATOM 994 CB PHE A 63 5.015 5.959 -1.278 1.00 0.00 C ATOM 995 CG PHE A 63 5.431 6.237 -2.692 1.00 0.00 C ATOM 996 CD1 PHE A 63 5.906 5.217 -3.499 1.00 0.00 C ATOM 997 CD2 PHE A 63 5.370 7.521 -3.207 1.00 0.00 C ATOM 998 CE1 PHE A 63 6.311 5.472 -4.796 1.00 0.00 C ATOM 999 CE2 PHE A 63 5.771 7.783 -4.501 1.00 0.00 C ATOM 1000 CZ PHE A 63 6.242 6.757 -5.296 1.00 0.00 C ATOM 0 H PHE A 63 2.449 6.713 -0.880 1.00 0.00 H new ATOM 0 HA PHE A 63 3.808 4.281 -1.867 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.846 6.908 -0.769 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.836 5.462 -0.762 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.961 4.211 -3.111 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.004 8.327 -2.588 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.680 4.669 -5.416 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.717 8.789 -4.891 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.556 6.960 -6.309 1.00 0.00 H new ATOM 1010 N ALA A 64 4.022 3.265 0.410 1.00 0.00 N ATOM 1011 CA ALA A 64 4.034 2.625 1.712 1.00 0.00 C ATOM 1012 C ALA A 64 5.150 1.593 1.794 1.00 0.00 C ATOM 1013 O ALA A 64 5.587 1.062 0.775 1.00 0.00 O ATOM 1014 CB ALA A 64 2.687 1.975 1.988 1.00 0.00 C ATOM 0 H ALA A 64 4.291 2.655 -0.362 1.00 0.00 H new ATOM 0 HA ALA A 64 4.218 3.386 2.470 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.707 1.498 2.968 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.906 2.735 1.971 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.481 1.226 1.224 1.00 0.00 H new ATOM 1020 N SER A 65 5.607 1.317 3.005 1.00 0.00 N ATOM 1021 CA SER A 65 6.650 0.331 3.220 1.00 0.00 C ATOM 1022 C SER A 65 6.213 -0.668 4.286 1.00 0.00 C ATOM 1023 O SER A 65 5.348 -0.371 5.113 1.00 0.00 O ATOM 1024 CB SER A 65 7.960 1.016 3.629 1.00 0.00 C ATOM 1025 OG SER A 65 9.035 0.089 3.668 1.00 0.00 O ATOM 0 H SER A 65 5.269 1.765 3.857 1.00 0.00 H new ATOM 0 HA SER A 65 6.822 -0.206 2.287 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.191 1.815 2.924 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.841 1.479 4.608 1.00 0.00 H new ATOM 0 HG SER A 65 9.858 0.553 3.930 1.00 0.00 H new ATOM 1031 N VAL A 66 6.811 -1.849 4.262 1.00 0.00 N ATOM 1032 CA VAL A 66 6.445 -2.917 5.181 1.00 0.00 C ATOM 1033 C VAL A 66 7.173 -2.761 6.510 1.00 0.00 C ATOM 1034 O VAL A 66 8.401 -2.765 6.556 1.00 0.00 O ATOM 1035 CB VAL A 66 6.768 -4.303 4.576 1.00 0.00 C ATOM 1036 CG1 VAL A 66 6.422 -5.419 5.549 1.00 0.00 C ATOM 1037 CG2 VAL A 66 6.029 -4.492 3.261 1.00 0.00 C ATOM 0 H VAL A 66 7.557 -2.094 3.611 1.00 0.00 H new ATOM 0 HA VAL A 66 5.371 -2.848 5.353 1.00 0.00 H new ATOM 0 HB VAL A 66 7.840 -4.347 4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.659 -6.382 5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.000 -5.295 6.465 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.358 -5.381 5.783 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.267 -5.472 2.848 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.955 -4.422 3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.335 -3.718 2.557 1.00 0.00 H new ATOM 1047 N VAL A 67 6.416 -2.609 7.587 1.00 0.00 N ATOM 1048 CA VAL A 67 7.008 -2.484 8.916 1.00 0.00 C ATOM 1049 C VAL A 67 6.844 -3.774 9.704 1.00 0.00 C ATOM 1050 O VAL A 67 7.018 -3.801 10.922 1.00 0.00 O ATOM 1051 CB VAL A 67 6.401 -1.308 9.706 1.00 0.00 C ATOM 1052 CG1 VAL A 67 6.734 0.012 9.030 1.00 0.00 C ATOM 1053 CG2 VAL A 67 4.894 -1.470 9.856 1.00 0.00 C ATOM 0 H VAL A 67 5.397 -2.569 7.570 1.00 0.00 H new ATOM 0 HA VAL A 67 8.070 -2.284 8.775 1.00 0.00 H new ATOM 0 HB VAL A 67 6.839 -1.307 10.704 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.298 0.833 9.600 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.816 0.135 8.986 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.327 0.016 8.019 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.491 -0.627 10.417 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.432 -1.503 8.869 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.679 -2.396 10.389 1.00 0.00 H new ATOM 1063 N GLU A 68 6.522 -4.831 8.970 1.00 0.00 N ATOM 1064 CA GLU A 68 6.338 -6.170 9.523 1.00 0.00 C ATOM 1065 C GLU A 68 5.326 -6.164 10.665 1.00 0.00 C ATOM 1066 O GLU A 68 5.739 -6.279 11.836 1.00 0.00 O ATOM 1067 CB GLU A 68 7.676 -6.754 9.995 1.00 0.00 C ATOM 1068 CG GLU A 68 8.734 -6.825 8.903 1.00 0.00 C ATOM 1069 CD GLU A 68 10.003 -7.516 9.360 1.00 0.00 C ATOM 1070 OE1 GLU A 68 10.835 -6.866 10.033 1.00 0.00 O ATOM 1071 OE2 GLU A 68 10.173 -8.715 9.054 1.00 0.00 O ATOM 1072 OXT GLU A 68 4.116 -6.043 10.386 1.00 0.00 O ATOM 0 H GLU A 68 6.379 -4.784 7.961 1.00 0.00 H new ATOM 0 HA GLU A 68 5.945 -6.804 8.728 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.056 -6.148 10.818 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.506 -7.756 10.389 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.326 -7.355 8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.975 -5.815 8.570 1.00 0.00 H new TER 1079 GLU A 68