USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 564 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -110:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.015) USER MOD Single : A 15 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-1.8) USER MOD Single : A 22 LYS NZ :NH3+ 175:sc= -0.511 (180deg=-0.611) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -50:sc= -1.48! USER MOD Single : A 37 SER OG : rot 180:sc= 0.0124 USER MOD Single : A 40 THR OG1 : rot -109:sc= -0.702 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -12:sc= 1.03 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -161:sc= -0.0699 (180deg=-0.452) USER MOD Single : A 77 SER OG : rot -78:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 0.00 C ATOM 3 C MET A 1 2.351 -1.426 -1.721 1.00 0.00 C ATOM 4 O MET A 1 2.123 -1.750 -2.887 1.00 0.00 O ATOM 5 CB MET A 1 3.421 0.733 -1.050 1.00 0.00 C ATOM 6 CG MET A 1 4.019 1.258 -2.345 1.00 0.00 C ATOM 7 SD MET A 1 3.059 2.608 -3.056 1.00 0.00 S ATOM 8 CE MET A 1 2.546 1.878 -4.609 1.00 0.00 C ATOM 0 H1 MET A 1 1.166 0.980 0.306 1.00 0.00 H new ATOM 0 H2 MET A 1 0.415 -0.471 -0.154 1.00 0.00 H new ATOM 0 H3 MET A 1 1.861 -0.508 0.735 1.00 0.00 H new ATOM 0 HA MET A 1 1.506 0.518 -2.000 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.270 1.567 -0.365 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.135 0.058 -0.577 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.037 1.600 -2.158 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.084 0.444 -3.067 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.941 2.594 -5.165 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.426 1.614 -5.195 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.958 0.981 -4.413 1.00 0.00 H new ATOM 18 N SER A 2 2.828 -2.273 -0.815 1.00 0.00 N ATOM 19 CA SER A 2 3.121 -3.662 -1.146 1.00 0.00 C ATOM 20 C SER A 2 2.281 -4.612 -0.296 1.00 0.00 C ATOM 21 O SER A 2 1.786 -4.238 0.767 1.00 0.00 O ATOM 22 CB SER A 2 4.608 -3.955 -0.940 1.00 0.00 C ATOM 23 OG SER A 2 5.411 -2.927 -1.494 1.00 0.00 O ATOM 0 H SER A 2 3.020 -2.021 0.155 1.00 0.00 H new ATOM 0 HA SER A 2 2.869 -3.821 -2.194 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.819 -4.052 0.125 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.862 -4.909 -1.403 1.00 0.00 H new ATOM 0 HG SER A 2 6.357 -3.136 -1.348 1.00 0.00 H new ATOM 29 N ASP A 3 2.127 -5.842 -0.773 1.00 0.00 N ATOM 30 CA ASP A 3 1.349 -6.847 -0.058 1.00 0.00 C ATOM 31 C ASP A 3 1.842 -6.995 1.378 1.00 0.00 C ATOM 32 O ASP A 3 1.047 -7.146 2.306 1.00 0.00 O ATOM 33 CB ASP A 3 1.429 -8.193 -0.780 1.00 0.00 C ATOM 34 CG ASP A 3 0.525 -8.254 -1.995 1.00 0.00 C ATOM 35 OD1 ASP A 3 -0.680 -8.538 -1.825 1.00 0.00 O ATOM 36 OD2 ASP A 3 1.021 -8.016 -3.116 1.00 0.00 O ATOM 0 H ASP A 3 2.530 -6.167 -1.652 1.00 0.00 H new ATOM 0 HA ASP A 3 0.310 -6.518 -0.034 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.459 -8.376 -1.088 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.157 -8.990 -0.088 1.00 0.00 H new ATOM 41 N THR A 4 3.159 -6.953 1.554 1.00 0.00 N ATOM 42 CA THR A 4 3.758 -7.085 2.876 1.00 0.00 C ATOM 43 C THR A 4 3.399 -5.899 3.763 1.00 0.00 C ATOM 44 O THR A 4 2.977 -6.072 4.906 1.00 0.00 O ATOM 45 CB THR A 4 5.291 -7.201 2.788 1.00 0.00 C ATOM 46 OG1 THR A 4 5.653 -8.286 1.926 1.00 0.00 O ATOM 47 CG2 THR A 4 5.897 -7.419 4.167 1.00 0.00 C ATOM 0 H THR A 4 3.831 -6.829 0.797 1.00 0.00 H new ATOM 0 HA THR A 4 3.357 -7.998 3.316 1.00 0.00 H new ATOM 0 HB THR A 4 5.680 -6.268 2.380 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.041 -9.011 2.459 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.981 -7.498 4.080 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.645 -6.577 4.812 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.500 -8.338 4.598 1.00 0.00 H new ATOM 55 N ALA A 5 3.568 -4.694 3.229 1.00 0.00 N ATOM 56 CA ALA A 5 3.259 -3.478 3.972 1.00 0.00 C ATOM 57 C ALA A 5 1.851 -3.534 4.553 1.00 0.00 C ATOM 58 O ALA A 5 1.644 -3.243 5.731 1.00 0.00 O ATOM 59 CB ALA A 5 3.414 -2.258 3.076 1.00 0.00 C ATOM 0 H ALA A 5 3.917 -4.533 2.284 1.00 0.00 H new ATOM 0 HA ALA A 5 3.963 -3.398 4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.180 -1.357 3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.440 -2.202 2.712 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.733 -2.340 2.229 1.00 0.00 H new ATOM 65 N GLU A 6 0.885 -3.908 3.720 1.00 0.00 N ATOM 66 CA GLU A 6 -0.504 -4.000 4.153 1.00 0.00 C ATOM 67 C GLU A 6 -0.625 -4.845 5.417 1.00 0.00 C ATOM 68 O GLU A 6 -1.175 -4.399 6.425 1.00 0.00 O ATOM 69 CB GLU A 6 -1.370 -4.598 3.042 1.00 0.00 C ATOM 70 CG GLU A 6 -1.650 -3.632 1.902 1.00 0.00 C ATOM 71 CD GLU A 6 -2.888 -2.791 2.142 1.00 0.00 C ATOM 72 OE1 GLU A 6 -3.886 -3.338 2.656 1.00 0.00 O ATOM 73 OE2 GLU A 6 -2.860 -1.586 1.815 1.00 0.00 O ATOM 0 H GLU A 6 1.039 -4.152 2.742 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.855 -2.992 4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -0.875 -5.483 2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.317 -4.928 3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.790 -2.976 1.767 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.771 -4.194 0.976 1.00 0.00 H new ATOM 80 N ARG A 7 -0.109 -6.068 5.356 1.00 0.00 N ATOM 81 CA ARG A 7 -0.160 -6.977 6.495 1.00 0.00 C ATOM 82 C ARG A 7 0.495 -6.349 7.722 1.00 0.00 C ATOM 83 O ARG A 7 -0.019 -6.454 8.835 1.00 0.00 O ATOM 84 CB ARG A 7 0.532 -8.297 6.153 1.00 0.00 C ATOM 85 CG ARG A 7 -0.386 -9.314 5.494 1.00 0.00 C ATOM 86 CD ARG A 7 -0.646 -8.967 4.036 1.00 0.00 C ATOM 87 NE ARG A 7 -1.720 -9.775 3.465 1.00 0.00 N ATOM 88 CZ ARG A 7 -2.225 -9.575 2.253 1.00 0.00 C ATOM 89 NH1 ARG A 7 -1.756 -8.599 1.488 1.00 0.00 N ATOM 90 NH2 ARG A 7 -3.201 -10.353 1.802 1.00 0.00 N ATOM 0 H ARG A 7 0.349 -6.452 4.530 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.207 -7.173 6.724 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.373 -8.095 5.489 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.943 -8.729 7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.062 -10.306 5.559 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.332 -9.355 6.034 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.904 -7.911 3.955 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.267 -9.117 3.459 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.103 -10.534 4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.005 -7.999 1.830 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.146 -8.448 0.558 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.564 -11.106 2.386 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.588 -10.198 0.871 1.00 0.00 H new ATOM 104 N VAL A 8 1.634 -5.698 7.509 1.00 0.00 N ATOM 105 CA VAL A 8 2.360 -5.053 8.597 1.00 0.00 C ATOM 106 C VAL A 8 1.535 -3.933 9.220 1.00 0.00 C ATOM 107 O VAL A 8 1.155 -4.003 10.389 1.00 0.00 O ATOM 108 CB VAL A 8 3.704 -4.477 8.111 1.00 0.00 C ATOM 109 CG1 VAL A 8 4.429 -3.779 9.251 1.00 0.00 C ATOM 110 CG2 VAL A 8 4.568 -5.576 7.511 1.00 0.00 C ATOM 0 H VAL A 8 2.074 -5.603 6.594 1.00 0.00 H new ATOM 0 HA VAL A 8 2.552 -5.820 9.348 1.00 0.00 H new ATOM 0 HB VAL A 8 3.504 -3.739 7.334 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.376 -3.379 8.889 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.812 -2.964 9.630 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.620 -4.493 10.052 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.513 -5.152 7.173 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.762 -6.339 8.265 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.049 -6.026 6.665 1.00 0.00 H new ATOM 120 N LYS A 9 1.261 -2.899 8.432 1.00 0.00 N ATOM 121 CA LYS A 9 0.479 -1.763 8.904 1.00 0.00 C ATOM 122 C LYS A 9 -0.852 -2.224 9.489 1.00 0.00 C ATOM 123 O LYS A 9 -1.378 -1.613 10.421 1.00 0.00 O ATOM 124 CB LYS A 9 0.231 -0.777 7.760 1.00 0.00 C ATOM 125 CG LYS A 9 -0.748 -1.289 6.717 1.00 0.00 C ATOM 126 CD LYS A 9 -1.075 -0.221 5.687 1.00 0.00 C ATOM 127 CE LYS A 9 -2.418 -0.481 5.022 1.00 0.00 C ATOM 128 NZ LYS A 9 -3.013 0.766 4.468 1.00 0.00 N ATOM 0 H LYS A 9 1.569 -2.824 7.463 1.00 0.00 H new ATOM 0 HA LYS A 9 1.048 -1.264 9.689 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.147 0.158 8.173 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.180 -0.550 7.275 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.326 -2.161 6.217 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.665 -1.616 7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.089 0.757 6.167 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.292 -0.193 4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.292 -1.210 4.221 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.104 -0.919 5.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.927 0.547 4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.157 1.453 5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.371 1.171 3.757 1.00 0.00 H new ATOM 142 N LYS A 10 -1.393 -3.305 8.939 1.00 0.00 N ATOM 143 CA LYS A 10 -2.661 -3.851 9.407 1.00 0.00 C ATOM 144 C LYS A 10 -2.540 -4.356 10.841 1.00 0.00 C ATOM 145 O LYS A 10 -3.268 -3.912 11.729 1.00 0.00 O ATOM 146 CB LYS A 10 -3.120 -4.988 8.492 1.00 0.00 C ATOM 147 CG LYS A 10 -4.395 -5.668 8.959 1.00 0.00 C ATOM 148 CD LYS A 10 -5.110 -6.362 7.811 1.00 0.00 C ATOM 149 CE LYS A 10 -5.921 -5.376 6.984 1.00 0.00 C ATOM 150 NZ LYS A 10 -7.192 -4.997 7.661 1.00 0.00 N ATOM 0 H LYS A 10 -0.972 -3.822 8.167 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.402 -3.052 9.383 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.275 -4.594 7.487 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.326 -5.731 8.424 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.157 -6.397 9.734 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.059 -4.929 9.409 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.379 -6.859 7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.768 -7.136 8.205 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.327 -4.481 6.800 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.144 -5.815 6.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.762 -4.405 7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.725 -5.856 7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.978 -4.464 8.528 1.00 0.00 H new ATOM 164 N ILE A 11 -1.614 -5.284 11.061 1.00 0.00 N ATOM 165 CA ILE A 11 -1.397 -5.847 12.388 1.00 0.00 C ATOM 166 C ILE A 11 -1.011 -4.762 13.388 1.00 0.00 C ATOM 167 O ILE A 11 -1.349 -4.842 14.569 1.00 0.00 O ATOM 168 CB ILE A 11 -0.298 -6.926 12.368 1.00 0.00 C ATOM 169 CG1 ILE A 11 -0.672 -8.048 11.398 1.00 0.00 C ATOM 170 CG2 ILE A 11 -0.075 -7.480 13.767 1.00 0.00 C ATOM 171 CD1 ILE A 11 0.504 -8.902 10.979 1.00 0.00 C ATOM 0 H ILE A 11 -1.002 -5.662 10.337 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.338 -6.304 12.696 1.00 0.00 H new ATOM 0 HB ILE A 11 0.632 -6.471 12.026 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.425 -8.684 11.864 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.129 -7.612 10.510 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.704 -8.241 13.737 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.231 -6.673 14.433 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.001 -7.923 14.135 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.164 -9.677 10.292 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.248 -8.278 10.484 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.948 -9.367 11.859 1.00 0.00 H new ATOM 183 N VAL A 12 -0.301 -3.746 12.906 1.00 0.00 N ATOM 184 CA VAL A 12 0.129 -2.643 13.757 1.00 0.00 C ATOM 185 C VAL A 12 -1.062 -1.810 14.221 1.00 0.00 C ATOM 186 O VAL A 12 -1.171 -1.465 15.397 1.00 0.00 O ATOM 187 CB VAL A 12 1.128 -1.727 13.026 1.00 0.00 C ATOM 188 CG1 VAL A 12 1.538 -0.564 13.917 1.00 0.00 C ATOM 189 CG2 VAL A 12 2.346 -2.520 12.576 1.00 0.00 C ATOM 0 H VAL A 12 -0.012 -3.664 11.931 1.00 0.00 H new ATOM 0 HA VAL A 12 0.620 -3.085 14.624 1.00 0.00 H new ATOM 0 HB VAL A 12 0.640 -1.320 12.140 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.244 0.072 13.383 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.656 0.018 14.185 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.008 -0.948 14.823 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.042 -1.857 12.061 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.837 -2.957 13.445 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.033 -3.314 11.899 1.00 0.00 H new ATOM 199 N VAL A 13 -1.953 -1.491 13.288 1.00 0.00 N ATOM 200 CA VAL A 13 -3.137 -0.700 13.601 1.00 0.00 C ATOM 201 C VAL A 13 -4.121 -1.497 14.450 1.00 0.00 C ATOM 202 O VAL A 13 -4.845 -0.933 15.270 1.00 0.00 O ATOM 203 CB VAL A 13 -3.849 -0.225 12.320 1.00 0.00 C ATOM 204 CG1 VAL A 13 -5.108 0.555 12.667 1.00 0.00 C ATOM 205 CG2 VAL A 13 -2.909 0.614 11.468 1.00 0.00 C ATOM 0 H VAL A 13 -1.877 -1.768 12.309 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.797 0.170 14.163 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.142 -1.101 11.741 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.598 0.882 11.750 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.787 -0.083 13.233 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.843 1.425 13.267 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.429 0.941 10.567 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.584 1.486 12.036 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.040 0.017 11.189 1.00 0.00 H new ATOM 215 N GLU A 14 -4.141 -2.810 14.249 1.00 0.00 N ATOM 216 CA GLU A 14 -5.037 -3.684 14.997 1.00 0.00 C ATOM 217 C GLU A 14 -4.460 -4.005 16.373 1.00 0.00 C ATOM 218 O GLU A 14 -5.196 -4.316 17.310 1.00 0.00 O ATOM 219 CB GLU A 14 -5.287 -4.980 14.222 1.00 0.00 C ATOM 220 CG GLU A 14 -6.583 -5.676 14.603 1.00 0.00 C ATOM 221 CD GLU A 14 -6.638 -7.112 14.118 1.00 0.00 C ATOM 222 OE1 GLU A 14 -6.139 -7.381 13.005 1.00 0.00 O ATOM 223 OE2 GLU A 14 -7.179 -7.966 14.850 1.00 0.00 O ATOM 0 H GLU A 14 -3.547 -3.292 13.574 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.984 -3.161 15.131 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.304 -4.758 13.155 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.454 -5.662 14.393 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.696 -5.658 15.687 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.424 -5.123 14.186 1.00 0.00 H new ATOM 230 N HIS A 15 -3.138 -3.928 16.486 1.00 0.00 N ATOM 231 CA HIS A 15 -2.461 -4.211 17.747 1.00 0.00 C ATOM 232 C HIS A 15 -2.368 -2.954 18.607 1.00 0.00 C ATOM 233 O HIS A 15 -2.797 -2.945 19.761 1.00 0.00 O ATOM 234 CB HIS A 15 -1.062 -4.769 17.485 1.00 0.00 C ATOM 235 CG HIS A 15 -1.053 -6.227 17.143 1.00 0.00 C ATOM 236 ND1 HIS A 15 0.074 -7.015 17.237 1.00 0.00 N ATOM 237 CD2 HIS A 15 -2.044 -7.040 16.707 1.00 0.00 C ATOM 238 CE1 HIS A 15 -0.223 -8.250 16.872 1.00 0.00 C ATOM 239 NE2 HIS A 15 -1.502 -8.291 16.546 1.00 0.00 N ATOM 0 H HIS A 15 -2.514 -3.672 15.720 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.046 -4.956 18.286 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.604 -4.210 16.669 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.444 -4.608 18.368 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.070 -6.757 16.521 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.463 -9.083 16.845 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.006 -9.118 16.226 1.00 0.00 H new ATOM 247 N LEU A 16 -1.803 -1.894 18.037 1.00 0.00 N ATOM 248 CA LEU A 16 -1.652 -0.631 18.752 1.00 0.00 C ATOM 249 C LEU A 16 -2.987 0.101 18.851 1.00 0.00 C ATOM 250 O LEU A 16 -3.236 0.831 19.810 1.00 0.00 O ATOM 251 CB LEU A 16 -0.623 0.255 18.049 1.00 0.00 C ATOM 252 CG LEU A 16 0.303 1.061 18.961 1.00 0.00 C ATOM 253 CD1 LEU A 16 -0.496 2.057 19.786 1.00 0.00 C ATOM 254 CD2 LEU A 16 1.100 0.133 19.866 1.00 0.00 C ATOM 0 H LEU A 16 -1.442 -1.884 17.083 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.304 -0.852 19.761 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.009 -0.376 17.407 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.155 0.950 17.399 1.00 0.00 H new ATOM 0 HG LEU A 16 1.003 1.616 18.337 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.179 2.622 20.429 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.021 2.742 19.121 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.220 1.522 20.401 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.753 0.724 20.508 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.416 -0.450 20.483 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.702 -0.541 19.257 1.00 0.00 H new ATOM 266 N GLY A 17 -3.843 -0.102 17.854 1.00 0.00 N ATOM 267 CA GLY A 17 -5.143 0.544 17.850 1.00 0.00 C ATOM 268 C GLY A 17 -5.057 2.016 17.498 1.00 0.00 C ATOM 269 O GLY A 17 -5.842 2.827 17.992 1.00 0.00 O ATOM 0 H GLY A 17 -3.660 -0.702 17.050 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.794 0.040 17.135 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.603 0.435 18.832 1.00 0.00 H new ATOM 273 N VAL A 18 -4.101 2.365 16.643 1.00 0.00 N ATOM 274 CA VAL A 18 -3.915 3.749 16.227 1.00 0.00 C ATOM 275 C VAL A 18 -4.385 3.959 14.792 1.00 0.00 C ATOM 276 O VAL A 18 -4.887 3.036 14.151 1.00 0.00 O ATOM 277 CB VAL A 18 -2.439 4.176 16.339 1.00 0.00 C ATOM 278 CG1 VAL A 18 -2.012 4.243 17.797 1.00 0.00 C ATOM 279 CG2 VAL A 18 -1.548 3.222 15.557 1.00 0.00 C ATOM 0 H VAL A 18 -3.443 1.707 16.225 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.515 4.364 16.897 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.333 5.172 15.908 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.967 4.546 17.856 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.631 4.969 18.324 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.132 3.262 18.257 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.509 3.538 15.647 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.656 2.214 15.956 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.840 3.230 14.507 1.00 0.00 H new ATOM 289 N ASP A 19 -4.219 5.179 14.293 1.00 0.00 N ATOM 290 CA ASP A 19 -4.626 5.511 12.933 1.00 0.00 C ATOM 291 C ASP A 19 -3.599 5.010 11.921 1.00 0.00 C ATOM 292 O ASP A 19 -2.394 5.091 12.154 1.00 0.00 O ATOM 293 CB ASP A 19 -4.808 7.022 12.786 1.00 0.00 C ATOM 294 CG ASP A 19 -5.904 7.381 11.802 1.00 0.00 C ATOM 295 OD1 ASP A 19 -7.005 6.798 11.902 1.00 0.00 O ATOM 296 OD2 ASP A 19 -5.663 8.244 10.934 1.00 0.00 O ATOM 0 H ASP A 19 -3.805 5.955 14.810 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.577 5.017 12.735 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.042 7.453 13.759 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.869 7.468 12.458 1.00 0.00 H new ATOM 301 N ALA A 20 -4.086 4.490 10.800 1.00 0.00 N ATOM 302 CA ALA A 20 -3.212 3.976 9.753 1.00 0.00 C ATOM 303 C ALA A 20 -2.495 5.111 9.030 1.00 0.00 C ATOM 304 O ALA A 20 -1.380 4.940 8.538 1.00 0.00 O ATOM 305 CB ALA A 20 -4.008 3.137 8.764 1.00 0.00 C ATOM 0 H ALA A 20 -5.082 4.413 10.593 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.457 3.345 10.222 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.342 2.760 7.988 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.468 2.298 9.286 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.785 3.751 8.308 1.00 0.00 H new ATOM 311 N ASP A 21 -3.143 6.269 8.969 1.00 0.00 N ATOM 312 CA ASP A 21 -2.567 7.433 8.306 1.00 0.00 C ATOM 313 C ASP A 21 -1.194 7.764 8.883 1.00 0.00 C ATOM 314 O ASP A 21 -0.348 8.348 8.206 1.00 0.00 O ATOM 315 CB ASP A 21 -3.497 8.639 8.447 1.00 0.00 C ATOM 316 CG ASP A 21 -3.058 9.812 7.592 1.00 0.00 C ATOM 317 OD1 ASP A 21 -2.695 9.588 6.418 1.00 0.00 O ATOM 318 OD2 ASP A 21 -3.079 10.954 8.096 1.00 0.00 O ATOM 0 H ASP A 21 -4.067 6.427 9.371 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.449 7.196 7.249 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.509 8.348 8.167 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.531 8.947 9.492 1.00 0.00 H new ATOM 323 N LYS A 22 -0.981 7.387 10.140 1.00 0.00 N ATOM 324 CA LYS A 22 0.289 7.643 10.810 1.00 0.00 C ATOM 325 C LYS A 22 1.309 6.559 10.475 1.00 0.00 C ATOM 326 O LYS A 22 2.516 6.795 10.516 1.00 0.00 O ATOM 327 CB LYS A 22 0.084 7.715 12.325 1.00 0.00 C ATOM 328 CG LYS A 22 -0.879 8.807 12.757 1.00 0.00 C ATOM 329 CD LYS A 22 -0.899 8.968 14.268 1.00 0.00 C ATOM 330 CE LYS A 22 -1.910 8.035 14.915 1.00 0.00 C ATOM 331 NZ LYS A 22 -3.255 8.664 15.023 1.00 0.00 N ATOM 0 H LYS A 22 -1.671 6.903 10.715 1.00 0.00 H new ATOM 0 HA LYS A 22 0.672 8.600 10.455 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.288 6.753 12.679 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.048 7.881 12.806 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.592 9.751 12.294 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.882 8.570 12.402 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.094 8.765 14.670 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.141 10.000 14.522 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.984 7.118 14.331 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.560 7.753 15.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.935 7.968 15.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.207 9.477 15.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.564 8.987 14.084 1.00 0.00 H new ATOM 345 N VAL A 23 0.815 5.370 10.143 1.00 0.00 N ATOM 346 CA VAL A 23 1.683 4.251 9.799 1.00 0.00 C ATOM 347 C VAL A 23 2.315 4.447 8.425 1.00 0.00 C ATOM 348 O VAL A 23 1.856 3.882 7.432 1.00 0.00 O ATOM 349 CB VAL A 23 0.912 2.918 9.811 1.00 0.00 C ATOM 350 CG1 VAL A 23 1.838 1.762 9.466 1.00 0.00 C ATOM 351 CG2 VAL A 23 0.251 2.697 11.164 1.00 0.00 C ATOM 0 H VAL A 23 -0.182 5.158 10.105 1.00 0.00 H new ATOM 0 HA VAL A 23 2.467 4.216 10.555 1.00 0.00 H new ATOM 0 HB VAL A 23 0.130 2.964 9.053 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.275 0.829 9.480 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.259 1.917 8.473 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.644 1.710 10.198 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.289 1.750 11.155 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.014 2.671 11.942 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.446 3.511 11.366 1.00 0.00 H new ATOM 361 N THR A 24 3.371 5.253 8.375 1.00 0.00 N ATOM 362 CA THR A 24 4.066 5.525 7.124 1.00 0.00 C ATOM 363 C THR A 24 5.516 5.060 7.187 1.00 0.00 C ATOM 364 O THR A 24 6.028 4.740 8.260 1.00 0.00 O ATOM 365 CB THR A 24 4.035 7.026 6.779 1.00 0.00 C ATOM 366 OG1 THR A 24 4.603 7.787 7.851 1.00 0.00 O ATOM 367 CG2 THR A 24 2.611 7.493 6.519 1.00 0.00 C ATOM 0 H THR A 24 3.763 5.729 9.187 1.00 0.00 H new ATOM 0 HA THR A 24 3.543 4.969 6.346 1.00 0.00 H new ATOM 0 HB THR A 24 4.622 7.180 5.873 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.581 8.740 7.623 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.615 8.556 6.278 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.191 6.933 5.684 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.005 7.326 7.409 1.00 0.00 H new ATOM 375 N GLU A 25 6.173 5.025 6.032 1.00 0.00 N ATOM 376 CA GLU A 25 7.565 4.598 5.958 1.00 0.00 C ATOM 377 C GLU A 25 8.429 5.387 6.938 1.00 0.00 C ATOM 378 O GLU A 25 9.409 4.871 7.474 1.00 0.00 O ATOM 379 CB GLU A 25 8.101 4.771 4.536 1.00 0.00 C ATOM 380 CG GLU A 25 7.565 3.742 3.554 1.00 0.00 C ATOM 381 CD GLU A 25 6.213 4.126 2.986 1.00 0.00 C ATOM 382 OE1 GLU A 25 5.827 5.306 3.120 1.00 0.00 O ATOM 383 OE2 GLU A 25 5.541 3.247 2.407 1.00 0.00 O ATOM 0 H GLU A 25 5.764 5.287 5.135 1.00 0.00 H new ATOM 0 HA GLU A 25 7.609 3.543 6.229 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.846 5.769 4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.189 4.709 4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.276 3.620 2.737 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.484 2.777 4.053 1.00 0.00 H new ATOM 390 N GLY A 26 8.057 6.643 7.167 1.00 0.00 N ATOM 391 CA GLY A 26 8.808 7.484 8.081 1.00 0.00 C ATOM 392 C GLY A 26 8.179 7.550 9.458 1.00 0.00 C ATOM 393 O GLY A 26 8.280 8.565 10.147 1.00 0.00 O ATOM 0 H GLY A 26 7.249 7.093 6.736 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.825 7.103 8.168 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.879 8.491 7.669 1.00 0.00 H new ATOM 397 N ALA A 27 7.524 6.465 9.861 1.00 0.00 N ATOM 398 CA ALA A 27 6.876 6.404 11.165 1.00 0.00 C ATOM 399 C ALA A 27 7.681 5.551 12.139 1.00 0.00 C ATOM 400 O ALA A 27 7.751 4.330 11.998 1.00 0.00 O ATOM 401 CB ALA A 27 5.462 5.859 11.026 1.00 0.00 C ATOM 0 H ALA A 27 7.429 5.617 9.303 1.00 0.00 H new ATOM 0 HA ALA A 27 6.826 7.416 11.566 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.989 5.819 12.007 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.884 6.511 10.371 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.499 4.857 10.600 1.00 0.00 H new ATOM 407 N SER A 28 8.288 6.202 13.126 1.00 0.00 N ATOM 408 CA SER A 28 9.093 5.502 14.121 1.00 0.00 C ATOM 409 C SER A 28 8.243 5.101 15.323 1.00 0.00 C ATOM 410 O SER A 28 7.714 5.954 16.036 1.00 0.00 O ATOM 411 CB SER A 28 10.257 6.384 14.578 1.00 0.00 C ATOM 412 OG SER A 28 11.410 6.158 13.785 1.00 0.00 O ATOM 0 H SER A 28 8.238 7.212 13.258 1.00 0.00 H new ATOM 0 HA SER A 28 9.490 4.598 13.660 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.969 7.433 14.515 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.485 6.178 15.624 1.00 0.00 H new ATOM 0 HG SER A 28 11.586 5.196 13.731 1.00 0.00 H new ATOM 418 N PHE A 29 8.116 3.796 15.540 1.00 0.00 N ATOM 419 CA PHE A 29 7.329 3.280 16.654 1.00 0.00 C ATOM 420 C PHE A 29 7.922 3.721 17.989 1.00 0.00 C ATOM 421 O PHE A 29 7.284 3.597 19.035 1.00 0.00 O ATOM 422 CB PHE A 29 7.261 1.752 16.593 1.00 0.00 C ATOM 423 CG PHE A 29 6.944 1.221 15.225 1.00 0.00 C ATOM 424 CD1 PHE A 29 5.638 1.187 14.765 1.00 0.00 C ATOM 425 CD2 PHE A 29 7.954 0.755 14.397 1.00 0.00 C ATOM 426 CE1 PHE A 29 5.344 0.697 13.507 1.00 0.00 C ATOM 427 CE2 PHE A 29 7.666 0.265 13.137 1.00 0.00 C ATOM 428 CZ PHE A 29 6.359 0.237 12.691 1.00 0.00 C ATOM 0 H PHE A 29 8.548 3.077 14.959 1.00 0.00 H new ATOM 0 HA PHE A 29 6.320 3.685 16.573 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.215 1.340 16.922 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.504 1.402 17.295 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.840 1.548 15.397 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.978 0.775 14.741 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.321 0.674 13.162 1.00 0.00 H new ATOM 0 HE2 PHE A 29 8.462 -0.095 12.502 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.131 -0.144 11.706 1.00 0.00 H new ATOM 438 N ILE A 30 9.147 4.234 17.945 1.00 0.00 N ATOM 439 CA ILE A 30 9.826 4.694 19.150 1.00 0.00 C ATOM 440 C ILE A 30 9.421 6.122 19.499 1.00 0.00 C ATOM 441 O ILE A 30 8.989 6.400 20.618 1.00 0.00 O ATOM 442 CB ILE A 30 11.357 4.630 18.992 1.00 0.00 C ATOM 443 CG1 ILE A 30 11.805 3.191 18.730 1.00 0.00 C ATOM 444 CG2 ILE A 30 12.040 5.186 20.233 1.00 0.00 C ATOM 445 CD1 ILE A 30 11.393 2.222 19.816 1.00 0.00 C ATOM 0 H ILE A 30 9.689 4.342 17.088 1.00 0.00 H new ATOM 0 HA ILE A 30 9.524 4.026 19.957 1.00 0.00 H new ATOM 0 HB ILE A 30 11.646 5.241 18.137 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.389 2.857 17.780 1.00 0.00 H new ATOM 0 HG13 ILE A 30 12.890 3.170 18.628 1.00 0.00 H new ATOM 0 HG21 ILE A 30 13.121 5.134 20.107 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.741 6.224 20.379 1.00 0.00 H new ATOM 0 HG23 ILE A 30 11.748 4.598 21.103 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.744 1.222 19.563 1.00 0.00 H new ATOM 0 HD12 ILE A 30 11.831 2.531 20.765 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.307 2.214 19.903 1.00 0.00 H new ATOM 457 N ASP A 31 9.561 7.023 18.533 1.00 0.00 N ATOM 458 CA ASP A 31 9.207 8.423 18.737 1.00 0.00 C ATOM 459 C ASP A 31 7.786 8.700 18.254 1.00 0.00 C ATOM 460 O ASP A 31 6.924 9.106 19.032 1.00 0.00 O ATOM 461 CB ASP A 31 10.194 9.333 18.004 1.00 0.00 C ATOM 462 CG ASP A 31 9.843 10.801 18.145 1.00 0.00 C ATOM 463 OD1 ASP A 31 9.585 11.243 19.284 1.00 0.00 O ATOM 464 OD2 ASP A 31 9.826 11.508 17.116 1.00 0.00 O ATOM 0 H ASP A 31 9.917 6.809 17.601 1.00 0.00 H new ATOM 0 HA ASP A 31 9.256 8.633 19.806 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.198 9.164 18.393 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.213 9.067 16.947 1.00 0.00 H new ATOM 469 N ASP A 32 7.552 8.478 16.965 1.00 0.00 N ATOM 470 CA ASP A 32 6.236 8.704 16.378 1.00 0.00 C ATOM 471 C ASP A 32 5.135 8.177 17.293 1.00 0.00 C ATOM 472 O ASP A 32 4.103 8.824 17.477 1.00 0.00 O ATOM 473 CB ASP A 32 6.143 8.031 15.008 1.00 0.00 C ATOM 474 CG ASP A 32 5.117 8.689 14.107 1.00 0.00 C ATOM 475 OD1 ASP A 32 5.196 9.921 13.918 1.00 0.00 O ATOM 476 OD2 ASP A 32 4.234 7.972 13.591 1.00 0.00 O ATOM 0 H ASP A 32 8.256 8.142 16.307 1.00 0.00 H new ATOM 0 HA ASP A 32 6.099 9.779 16.256 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.119 8.062 14.525 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.886 6.980 15.140 1.00 0.00 H new ATOM 481 N LEU A 33 5.360 6.998 17.863 1.00 0.00 N ATOM 482 CA LEU A 33 4.387 6.383 18.758 1.00 0.00 C ATOM 483 C LEU A 33 4.782 6.590 20.217 1.00 0.00 C ATOM 484 O LEU A 33 3.965 6.423 21.122 1.00 0.00 O ATOM 485 CB LEU A 33 4.263 4.888 18.459 1.00 0.00 C ATOM 486 CG LEU A 33 3.826 4.521 17.040 1.00 0.00 C ATOM 487 CD1 LEU A 33 3.433 3.054 16.965 1.00 0.00 C ATOM 488 CD2 LEU A 33 2.674 5.408 16.591 1.00 0.00 C ATOM 0 H LEU A 33 6.208 6.449 17.721 1.00 0.00 H new ATOM 0 HA LEU A 33 3.422 6.862 18.590 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.227 4.418 18.654 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.550 4.456 19.161 1.00 0.00 H new ATOM 0 HG LEU A 33 4.668 4.685 16.367 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.125 2.811 15.948 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.285 2.434 17.244 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.607 2.863 17.650 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.376 5.133 15.579 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.829 5.277 17.267 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.991 6.451 16.605 1.00 0.00 H new ATOM 500 N GLY A 34 6.041 6.958 20.438 1.00 0.00 N ATOM 501 CA GLY A 34 6.522 7.184 21.788 1.00 0.00 C ATOM 502 C GLY A 34 6.699 5.894 22.564 1.00 0.00 C ATOM 503 O GLY A 34 6.473 5.853 23.773 1.00 0.00 O ATOM 0 H GLY A 34 6.736 7.103 19.706 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.474 7.713 21.747 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.821 7.829 22.317 1.00 0.00 H new ATOM 507 N ALA A 35 7.104 4.837 21.867 1.00 0.00 N ATOM 508 CA ALA A 35 7.311 3.540 22.499 1.00 0.00 C ATOM 509 C ALA A 35 8.791 3.292 22.770 1.00 0.00 C ATOM 510 O ALA A 35 9.650 4.055 22.327 1.00 0.00 O ATOM 511 CB ALA A 35 6.739 2.431 21.628 1.00 0.00 C ATOM 0 H ALA A 35 7.295 4.854 20.865 1.00 0.00 H new ATOM 0 HA ALA A 35 6.788 3.542 23.455 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.901 1.468 22.112 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.670 2.592 21.489 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.236 2.437 20.658 1.00 0.00 H new ATOM 517 N ASP A 36 9.083 2.221 23.499 1.00 0.00 N ATOM 518 CA ASP A 36 10.460 1.872 23.829 1.00 0.00 C ATOM 519 C ASP A 36 10.911 0.641 23.048 1.00 0.00 C ATOM 520 O ASP A 36 10.127 0.036 22.317 1.00 0.00 O ATOM 521 CB ASP A 36 10.599 1.618 25.331 1.00 0.00 C ATOM 522 CG ASP A 36 10.047 2.757 26.164 1.00 0.00 C ATOM 523 OD1 ASP A 36 10.232 3.926 25.767 1.00 0.00 O ATOM 524 OD2 ASP A 36 9.429 2.480 27.214 1.00 0.00 O ATOM 0 H ASP A 36 8.384 1.579 23.873 1.00 0.00 H new ATOM 0 HA ASP A 36 11.098 2.711 23.550 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.078 0.696 25.590 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.651 1.469 25.576 1.00 0.00 H new ATOM 529 N SER A 37 12.179 0.277 23.208 1.00 0.00 N ATOM 530 CA SER A 37 12.736 -0.879 22.515 1.00 0.00 C ATOM 531 C SER A 37 11.869 -2.115 22.737 1.00 0.00 C ATOM 532 O SER A 37 11.654 -2.910 21.821 1.00 0.00 O ATOM 533 CB SER A 37 14.163 -1.149 22.994 1.00 0.00 C ATOM 534 OG SER A 37 14.284 -0.923 24.388 1.00 0.00 O ATOM 0 H SER A 37 12.840 0.766 23.811 1.00 0.00 H new ATOM 0 HA SER A 37 12.755 -0.658 21.448 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.439 -2.178 22.764 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.859 -0.505 22.456 1.00 0.00 H new ATOM 0 HG SER A 37 15.205 -1.104 24.670 1.00 0.00 H new ATOM 540 N LEU A 38 11.375 -2.271 23.960 1.00 0.00 N ATOM 541 CA LEU A 38 10.532 -3.410 24.305 1.00 0.00 C ATOM 542 C LEU A 38 9.376 -3.550 23.319 1.00 0.00 C ATOM 543 O LEU A 38 9.154 -4.623 22.757 1.00 0.00 O ATOM 544 CB LEU A 38 9.988 -3.255 25.726 1.00 0.00 C ATOM 545 CG LEU A 38 10.909 -3.726 26.852 1.00 0.00 C ATOM 546 CD1 LEU A 38 11.172 -5.220 26.737 1.00 0.00 C ATOM 547 CD2 LEU A 38 12.218 -2.950 26.831 1.00 0.00 C ATOM 0 H LEU A 38 11.544 -1.623 24.729 1.00 0.00 H new ATOM 0 HA LEU A 38 11.142 -4.312 24.252 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.754 -2.203 25.891 1.00 0.00 H new ATOM 0 HB3 LEU A 38 9.050 -3.806 25.797 1.00 0.00 H new ATOM 0 HG LEU A 38 10.413 -3.537 27.804 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.829 -5.537 27.547 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.228 -5.762 26.802 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.647 -5.433 25.779 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.861 -3.299 27.639 1.00 0.00 H new ATOM 0 HD22 LEU A 38 12.719 -3.107 25.876 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.013 -1.888 26.963 1.00 0.00 H new ATOM 559 N ASP A 39 8.646 -2.460 23.113 1.00 0.00 N ATOM 560 CA ASP A 39 7.515 -2.461 22.192 1.00 0.00 C ATOM 561 C ASP A 39 7.927 -2.999 20.825 1.00 0.00 C ATOM 562 O ASP A 39 7.283 -3.895 20.279 1.00 0.00 O ATOM 563 CB ASP A 39 6.947 -1.048 22.047 1.00 0.00 C ATOM 564 CG ASP A 39 5.696 -0.839 22.877 1.00 0.00 C ATOM 565 OD1 ASP A 39 5.709 -1.201 24.072 1.00 0.00 O ATOM 566 OD2 ASP A 39 4.704 -0.311 22.332 1.00 0.00 O ATOM 0 H ASP A 39 8.817 -1.565 23.571 1.00 0.00 H new ATOM 0 HA ASP A 39 6.745 -3.114 22.602 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.704 -0.323 22.347 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.720 -0.857 20.998 1.00 0.00 H new ATOM 571 N THR A 40 9.004 -2.446 20.277 1.00 0.00 N ATOM 572 CA THR A 40 9.501 -2.868 18.974 1.00 0.00 C ATOM 573 C THR A 40 9.791 -4.365 18.955 1.00 0.00 C ATOM 574 O THR A 40 9.385 -5.074 18.034 1.00 0.00 O ATOM 575 CB THR A 40 10.782 -2.104 18.586 1.00 0.00 C ATOM 576 OG1 THR A 40 10.744 -0.779 19.127 1.00 0.00 O ATOM 577 CG2 THR A 40 10.934 -2.036 17.074 1.00 0.00 C ATOM 0 H THR A 40 9.549 -1.704 20.716 1.00 0.00 H new ATOM 0 HA THR A 40 8.719 -2.642 18.249 1.00 0.00 H new ATOM 0 HB THR A 40 11.638 -2.640 18.997 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.615 -0.133 18.401 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.845 -1.492 16.824 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.991 -3.046 16.668 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.075 -1.521 16.645 1.00 0.00 H new ATOM 585 N VAL A 41 10.495 -4.840 19.977 1.00 0.00 N ATOM 586 CA VAL A 41 10.837 -6.254 20.078 1.00 0.00 C ATOM 587 C VAL A 41 9.590 -7.128 19.996 1.00 0.00 C ATOM 588 O VAL A 41 9.530 -8.065 19.201 1.00 0.00 O ATOM 589 CB VAL A 41 11.578 -6.559 21.394 1.00 0.00 C ATOM 590 CG1 VAL A 41 12.030 -8.011 21.427 1.00 0.00 C ATOM 591 CG2 VAL A 41 12.762 -5.619 21.568 1.00 0.00 C ATOM 0 H VAL A 41 10.840 -4.267 20.747 1.00 0.00 H new ATOM 0 HA VAL A 41 11.493 -6.482 19.238 1.00 0.00 H new ATOM 0 HB VAL A 41 10.891 -6.398 22.225 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.552 -8.209 22.364 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.161 -8.664 21.351 1.00 0.00 H new ATOM 0 HG13 VAL A 41 12.702 -8.202 20.590 1.00 0.00 H new ATOM 0 HG21 VAL A 41 13.274 -5.848 22.502 1.00 0.00 H new ATOM 0 HG22 VAL A 41 13.453 -5.746 20.735 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.408 -4.588 21.592 1.00 0.00 H new ATOM 601 N GLU A 42 8.597 -6.813 20.822 1.00 0.00 N ATOM 602 CA GLU A 42 7.352 -7.571 20.841 1.00 0.00 C ATOM 603 C GLU A 42 6.707 -7.594 19.459 1.00 0.00 C ATOM 604 O GLU A 42 6.381 -8.658 18.930 1.00 0.00 O ATOM 605 CB GLU A 42 6.380 -6.972 21.860 1.00 0.00 C ATOM 606 CG GLU A 42 6.878 -7.046 23.293 1.00 0.00 C ATOM 607 CD GLU A 42 7.053 -8.473 23.777 1.00 0.00 C ATOM 608 OE1 GLU A 42 6.071 -9.053 24.283 1.00 0.00 O ATOM 609 OE2 GLU A 42 8.174 -9.009 23.647 1.00 0.00 O ATOM 0 H GLU A 42 8.631 -6.039 21.486 1.00 0.00 H new ATOM 0 HA GLU A 42 7.585 -8.596 21.130 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.194 -5.929 21.602 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.425 -7.493 21.789 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.830 -6.521 23.370 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.174 -6.529 23.945 1.00 0.00 H new ATOM 616 N LEU A 43 6.525 -6.413 18.878 1.00 0.00 N ATOM 617 CA LEU A 43 5.918 -6.296 17.556 1.00 0.00 C ATOM 618 C LEU A 43 6.642 -7.179 16.545 1.00 0.00 C ATOM 619 O LEU A 43 6.017 -7.958 15.825 1.00 0.00 O ATOM 620 CB LEU A 43 5.943 -4.840 17.090 1.00 0.00 C ATOM 621 CG LEU A 43 4.702 -4.009 17.417 1.00 0.00 C ATOM 622 CD1 LEU A 43 4.894 -2.566 16.975 1.00 0.00 C ATOM 623 CD2 LEU A 43 3.468 -4.611 16.761 1.00 0.00 C ATOM 0 H LEU A 43 6.789 -5.523 19.301 1.00 0.00 H new ATOM 0 HA LEU A 43 4.883 -6.631 17.627 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.810 -4.352 17.535 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.090 -4.828 16.010 1.00 0.00 H new ATOM 0 HG LEU A 43 4.555 -4.020 18.497 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.001 -1.990 17.216 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.752 -2.138 17.493 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.067 -2.535 15.899 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.595 -4.006 17.005 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.604 -4.632 15.680 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.320 -5.627 17.128 1.00 0.00 H new ATOM 635 N VAL A 44 7.965 -7.052 16.496 1.00 0.00 N ATOM 636 CA VAL A 44 8.775 -7.841 15.575 1.00 0.00 C ATOM 637 C VAL A 44 8.502 -9.331 15.742 1.00 0.00 C ATOM 638 O VAL A 44 8.213 -10.032 14.772 1.00 0.00 O ATOM 639 CB VAL A 44 10.278 -7.578 15.784 1.00 0.00 C ATOM 640 CG1 VAL A 44 11.106 -8.430 14.834 1.00 0.00 C ATOM 641 CG2 VAL A 44 10.591 -6.101 15.599 1.00 0.00 C ATOM 0 H VAL A 44 8.498 -6.410 17.083 1.00 0.00 H new ATOM 0 HA VAL A 44 8.497 -7.535 14.566 1.00 0.00 H new ATOM 0 HB VAL A 44 10.539 -7.856 16.805 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.165 -8.231 14.996 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.902 -9.485 15.020 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.844 -8.186 13.804 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.657 -5.933 15.750 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.315 -5.794 14.590 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.025 -5.516 16.324 1.00 0.00 H new ATOM 651 N MET A 45 8.596 -9.810 16.978 1.00 0.00 N ATOM 652 CA MET A 45 8.358 -11.218 17.272 1.00 0.00 C ATOM 653 C MET A 45 6.991 -11.657 16.758 1.00 0.00 C ATOM 654 O MET A 45 6.851 -12.736 16.181 1.00 0.00 O ATOM 655 CB MET A 45 8.455 -11.470 18.778 1.00 0.00 C ATOM 656 CG MET A 45 9.884 -11.544 19.291 1.00 0.00 C ATOM 657 SD MET A 45 9.985 -12.183 20.974 1.00 0.00 S ATOM 658 CE MET A 45 11.628 -12.898 20.966 1.00 0.00 C ATOM 0 H MET A 45 8.835 -9.244 17.792 1.00 0.00 H new ATOM 0 HA MET A 45 9.123 -11.804 16.763 1.00 0.00 H new ATOM 0 HB2 MET A 45 7.929 -10.675 19.306 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.944 -12.403 19.016 1.00 0.00 H new ATOM 0 HG2 MET A 45 10.471 -12.180 18.629 1.00 0.00 H new ATOM 0 HG3 MET A 45 10.330 -10.550 19.256 1.00 0.00 H new ATOM 0 HE1 MET A 45 11.839 -13.335 21.942 1.00 0.00 H new ATOM 0 HE2 MET A 45 11.684 -13.673 20.201 1.00 0.00 H new ATOM 0 HE3 MET A 45 12.362 -12.121 20.750 1.00 0.00 H new ATOM 668 N ALA A 46 5.985 -10.815 16.971 1.00 0.00 N ATOM 669 CA ALA A 46 4.630 -11.116 16.527 1.00 0.00 C ATOM 670 C ALA A 46 4.577 -11.309 15.016 1.00 0.00 C ATOM 671 O ALA A 46 4.094 -12.331 14.527 1.00 0.00 O ATOM 672 CB ALA A 46 3.677 -10.009 16.954 1.00 0.00 C ATOM 0 H ALA A 46 6.083 -9.919 17.448 1.00 0.00 H new ATOM 0 HA ALA A 46 4.319 -12.049 16.996 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.668 -10.247 16.616 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.684 -9.922 18.040 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.995 -9.065 16.512 1.00 0.00 H new ATOM 678 N PHE A 47 5.076 -10.322 14.280 1.00 0.00 N ATOM 679 CA PHE A 47 5.084 -10.383 12.823 1.00 0.00 C ATOM 680 C PHE A 47 5.790 -11.645 12.335 1.00 0.00 C ATOM 681 O PHE A 47 5.330 -12.304 11.403 1.00 0.00 O ATOM 682 CB PHE A 47 5.771 -9.144 12.243 1.00 0.00 C ATOM 683 CG PHE A 47 5.189 -7.850 12.735 1.00 0.00 C ATOM 684 CD1 PHE A 47 3.816 -7.664 12.775 1.00 0.00 C ATOM 685 CD2 PHE A 47 6.013 -6.819 13.156 1.00 0.00 C ATOM 686 CE1 PHE A 47 3.277 -6.474 13.228 1.00 0.00 C ATOM 687 CE2 PHE A 47 5.480 -5.628 13.610 1.00 0.00 C ATOM 688 CZ PHE A 47 4.110 -5.455 13.644 1.00 0.00 C ATOM 0 H PHE A 47 5.480 -9.470 14.669 1.00 0.00 H new ATOM 0 HA PHE A 47 4.050 -10.411 12.480 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.831 -9.175 12.494 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.700 -9.175 11.156 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.160 -8.457 12.449 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.085 -6.948 13.129 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.205 -6.342 13.256 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.134 -4.833 13.938 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.691 -4.524 13.996 1.00 0.00 H new ATOM 698 N GLU A 48 6.909 -11.973 12.972 1.00 0.00 N ATOM 699 CA GLU A 48 7.679 -13.155 12.602 1.00 0.00 C ATOM 700 C GLU A 48 6.895 -14.430 12.897 1.00 0.00 C ATOM 701 O GLU A 48 6.979 -15.408 12.156 1.00 0.00 O ATOM 702 CB GLU A 48 9.012 -13.178 13.352 1.00 0.00 C ATOM 703 CG GLU A 48 10.115 -12.395 12.659 1.00 0.00 C ATOM 704 CD GLU A 48 9.630 -11.069 12.106 1.00 0.00 C ATOM 705 OE1 GLU A 48 9.018 -11.069 11.018 1.00 0.00 O ATOM 706 OE2 GLU A 48 9.862 -10.032 12.762 1.00 0.00 O ATOM 0 H GLU A 48 7.303 -11.438 13.746 1.00 0.00 H new ATOM 0 HA GLU A 48 7.874 -13.109 11.531 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.863 -12.772 14.352 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.333 -14.213 13.473 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.926 -12.215 13.365 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.526 -12.995 11.847 1.00 0.00 H new ATOM 713 N GLU A 49 6.132 -14.410 13.986 1.00 0.00 N ATOM 714 CA GLU A 49 5.334 -15.564 14.380 1.00 0.00 C ATOM 715 C GLU A 49 4.113 -15.716 13.477 1.00 0.00 C ATOM 716 O GLU A 49 3.604 -16.819 13.285 1.00 0.00 O ATOM 717 CB GLU A 49 4.889 -15.431 15.839 1.00 0.00 C ATOM 718 CG GLU A 49 4.505 -16.754 16.481 1.00 0.00 C ATOM 719 CD GLU A 49 5.685 -17.693 16.632 1.00 0.00 C ATOM 720 OE1 GLU A 49 5.950 -18.469 15.690 1.00 0.00 O ATOM 721 OE2 GLU A 49 6.344 -17.654 17.692 1.00 0.00 O ATOM 0 H GLU A 49 6.050 -13.607 14.610 1.00 0.00 H new ATOM 0 HA GLU A 49 5.954 -16.454 14.276 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.695 -14.977 16.416 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.038 -14.751 15.890 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.068 -16.565 17.462 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.736 -17.237 15.878 1.00 0.00 H new ATOM 728 N GLU A 50 3.650 -14.598 12.926 1.00 0.00 N ATOM 729 CA GLU A 50 2.488 -14.607 12.045 1.00 0.00 C ATOM 730 C GLU A 50 2.894 -14.948 10.614 1.00 0.00 C ATOM 731 O GLU A 50 2.216 -15.717 9.931 1.00 0.00 O ATOM 732 CB GLU A 50 1.786 -13.248 12.077 1.00 0.00 C ATOM 733 CG GLU A 50 0.812 -13.093 13.233 1.00 0.00 C ATOM 734 CD GLU A 50 -0.512 -13.786 12.977 1.00 0.00 C ATOM 735 OE1 GLU A 50 -1.079 -13.595 11.881 1.00 0.00 O ATOM 736 OE2 GLU A 50 -0.982 -14.519 13.872 1.00 0.00 O ATOM 0 H GLU A 50 4.061 -13.676 13.074 1.00 0.00 H new ATOM 0 HA GLU A 50 1.799 -15.372 12.402 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.538 -12.461 12.139 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.250 -13.103 11.139 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.261 -13.500 14.139 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.634 -12.033 13.414 1.00 0.00 H new ATOM 743 N PHE A 51 4.004 -14.371 10.166 1.00 0.00 N ATOM 744 CA PHE A 51 4.500 -14.611 8.816 1.00 0.00 C ATOM 745 C PHE A 51 5.254 -15.936 8.742 1.00 0.00 C ATOM 746 O PHE A 51 5.363 -16.542 7.677 1.00 0.00 O ATOM 747 CB PHE A 51 5.413 -13.466 8.373 1.00 0.00 C ATOM 748 CG PHE A 51 4.687 -12.364 7.657 1.00 0.00 C ATOM 749 CD1 PHE A 51 3.964 -11.418 8.365 1.00 0.00 C ATOM 750 CD2 PHE A 51 4.728 -12.273 6.275 1.00 0.00 C ATOM 751 CE1 PHE A 51 3.294 -10.403 7.708 1.00 0.00 C ATOM 752 CE2 PHE A 51 4.061 -11.260 5.612 1.00 0.00 C ATOM 753 CZ PHE A 51 3.344 -10.323 6.330 1.00 0.00 C ATOM 0 H PHE A 51 4.577 -13.734 10.719 1.00 0.00 H new ATOM 0 HA PHE A 51 3.643 -14.662 8.145 1.00 0.00 H new ATOM 0 HB2 PHE A 51 5.914 -13.052 9.248 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.190 -13.863 7.719 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.923 -11.474 9.443 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.288 -13.003 5.709 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.732 -9.673 8.272 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.100 -11.201 4.534 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.823 -9.529 5.815 1.00 0.00 H new ATOM 763 N GLY A 52 5.773 -16.379 9.883 1.00 0.00 N ATOM 764 CA GLY A 52 6.511 -17.628 9.926 1.00 0.00 C ATOM 765 C GLY A 52 7.925 -17.485 9.397 1.00 0.00 C ATOM 766 O GLY A 52 8.371 -18.284 8.574 1.00 0.00 O ATOM 0 H GLY A 52 5.696 -15.896 10.778 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.546 -17.991 10.953 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.982 -18.380 9.340 1.00 0.00 H new ATOM 770 N VAL A 53 8.631 -16.462 9.869 1.00 0.00 N ATOM 771 CA VAL A 53 10.002 -16.216 9.437 1.00 0.00 C ATOM 772 C VAL A 53 10.967 -16.268 10.617 1.00 0.00 C ATOM 773 O VAL A 53 10.553 -16.189 11.773 1.00 0.00 O ATOM 774 CB VAL A 53 10.134 -14.849 8.740 1.00 0.00 C ATOM 775 CG1 VAL A 53 9.523 -14.898 7.348 1.00 0.00 C ATOM 776 CG2 VAL A 53 9.484 -13.759 9.579 1.00 0.00 C ATOM 0 H VAL A 53 8.276 -15.791 10.550 1.00 0.00 H new ATOM 0 HA VAL A 53 10.257 -17.003 8.727 1.00 0.00 H new ATOM 0 HB VAL A 53 11.193 -14.614 8.637 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.626 -13.923 6.871 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.038 -15.650 6.751 1.00 0.00 H new ATOM 0 HG13 VAL A 53 8.467 -15.156 7.423 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.586 -12.800 9.072 1.00 0.00 H new ATOM 0 HG22 VAL A 53 8.427 -13.986 9.715 1.00 0.00 H new ATOM 0 HG23 VAL A 53 9.973 -13.709 10.552 1.00 0.00 H new ATOM 786 N GLU A 54 12.254 -16.402 10.315 1.00 0.00 N ATOM 787 CA GLU A 54 13.278 -16.466 11.351 1.00 0.00 C ATOM 788 C GLU A 54 14.335 -15.386 11.138 1.00 0.00 C ATOM 789 O GLU A 54 15.107 -15.438 10.180 1.00 0.00 O ATOM 790 CB GLU A 54 13.939 -17.846 11.363 1.00 0.00 C ATOM 791 CG GLU A 54 14.473 -18.277 10.008 1.00 0.00 C ATOM 792 CD GLU A 54 14.820 -19.752 9.960 1.00 0.00 C ATOM 793 OE1 GLU A 54 13.899 -20.584 10.097 1.00 0.00 O ATOM 794 OE2 GLU A 54 16.014 -20.075 9.785 1.00 0.00 O ATOM 0 H GLU A 54 12.612 -16.468 9.362 1.00 0.00 H new ATOM 0 HA GLU A 54 12.796 -16.294 12.313 1.00 0.00 H new ATOM 0 HB2 GLU A 54 14.758 -17.841 12.082 1.00 0.00 H new ATOM 0 HB3 GLU A 54 13.215 -18.583 11.710 1.00 0.00 H new ATOM 0 HG2 GLU A 54 13.729 -18.057 9.242 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.360 -17.691 9.768 1.00 0.00 H new ATOM 801 N ILE A 55 14.364 -14.409 12.038 1.00 0.00 N ATOM 802 CA ILE A 55 15.326 -13.317 11.949 1.00 0.00 C ATOM 803 C ILE A 55 16.113 -13.171 13.247 1.00 0.00 C ATOM 804 O ILE A 55 15.665 -13.570 14.322 1.00 0.00 O ATOM 805 CB ILE A 55 14.632 -11.980 11.629 1.00 0.00 C ATOM 806 CG1 ILE A 55 13.384 -11.807 12.498 1.00 0.00 C ATOM 807 CG2 ILE A 55 14.271 -11.911 10.153 1.00 0.00 C ATOM 808 CD1 ILE A 55 12.693 -10.476 12.304 1.00 0.00 C ATOM 0 H ILE A 55 13.733 -14.351 12.837 1.00 0.00 H new ATOM 0 HA ILE A 55 16.011 -13.565 11.138 1.00 0.00 H new ATOM 0 HB ILE A 55 15.322 -11.166 11.852 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.681 -12.609 12.273 1.00 0.00 H new ATOM 0 HG13 ILE A 55 13.663 -11.913 13.546 1.00 0.00 H new ATOM 0 HG21 ILE A 55 13.781 -10.960 9.942 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.177 -11.993 9.553 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.596 -12.730 9.905 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.817 -10.423 12.951 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.381 -9.669 12.557 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.382 -10.376 11.264 1.00 0.00 H new ATOM 820 N PRO A 56 17.315 -12.584 13.148 1.00 0.00 N ATOM 821 CA PRO A 56 18.189 -12.368 14.305 1.00 0.00 C ATOM 822 C PRO A 56 17.641 -11.310 15.256 1.00 0.00 C ATOM 823 O PRO A 56 16.979 -10.363 14.832 1.00 0.00 O ATOM 824 CB PRO A 56 19.501 -11.894 13.674 1.00 0.00 C ATOM 825 CG PRO A 56 19.099 -11.292 12.372 1.00 0.00 C ATOM 826 CD PRO A 56 17.912 -12.084 11.898 1.00 0.00 C ATOM 0 HA PRO A 56 18.293 -13.268 14.912 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.005 -11.165 14.309 1.00 0.00 H new ATOM 0 HB3 PRO A 56 20.193 -12.723 13.530 1.00 0.00 H new ATOM 0 HG2 PRO A 56 18.843 -10.239 12.491 1.00 0.00 H new ATOM 0 HG3 PRO A 56 19.915 -11.342 11.651 1.00 0.00 H new ATOM 0 HD2 PRO A 56 17.212 -11.463 11.338 1.00 0.00 H new ATOM 0 HD3 PRO A 56 18.210 -12.900 11.240 1.00 0.00 H new ATOM 834 N ASP A 57 17.922 -11.477 16.544 1.00 0.00 N ATOM 835 CA ASP A 57 17.459 -10.534 17.556 1.00 0.00 C ATOM 836 C ASP A 57 17.844 -9.106 17.184 1.00 0.00 C ATOM 837 O ASP A 57 17.068 -8.171 17.384 1.00 0.00 O ATOM 838 CB ASP A 57 18.042 -10.894 18.923 1.00 0.00 C ATOM 839 CG ASP A 57 17.743 -12.326 19.322 1.00 0.00 C ATOM 840 OD1 ASP A 57 16.581 -12.755 19.164 1.00 0.00 O ATOM 841 OD2 ASP A 57 18.671 -13.017 19.792 1.00 0.00 O ATOM 0 H ASP A 57 18.468 -12.256 16.912 1.00 0.00 H new ATOM 0 HA ASP A 57 16.372 -10.596 17.606 1.00 0.00 H new ATOM 0 HB2 ASP A 57 19.121 -10.743 18.906 1.00 0.00 H new ATOM 0 HB3 ASP A 57 17.638 -10.218 19.676 1.00 0.00 H new ATOM 846 N ASP A 58 19.047 -8.944 16.645 1.00 0.00 N ATOM 847 CA ASP A 58 19.536 -7.629 16.245 1.00 0.00 C ATOM 848 C ASP A 58 18.539 -6.937 15.321 1.00 0.00 C ATOM 849 O ASP A 58 18.459 -5.709 15.286 1.00 0.00 O ATOM 850 CB ASP A 58 20.893 -7.755 15.551 1.00 0.00 C ATOM 851 CG ASP A 58 22.038 -7.883 16.536 1.00 0.00 C ATOM 852 OD1 ASP A 58 21.765 -8.020 17.747 1.00 0.00 O ATOM 853 OD2 ASP A 58 23.206 -7.846 16.096 1.00 0.00 O ATOM 0 H ASP A 58 19.702 -9.707 16.475 1.00 0.00 H new ATOM 0 HA ASP A 58 19.652 -7.023 17.143 1.00 0.00 H new ATOM 0 HB2 ASP A 58 20.883 -8.626 14.895 1.00 0.00 H new ATOM 0 HB3 ASP A 58 21.057 -6.882 14.919 1.00 0.00 H new ATOM 858 N ALA A 59 17.782 -7.733 14.573 1.00 0.00 N ATOM 859 CA ALA A 59 16.791 -7.197 13.649 1.00 0.00 C ATOM 860 C ALA A 59 15.817 -6.269 14.366 1.00 0.00 C ATOM 861 O ALA A 59 15.621 -5.124 13.959 1.00 0.00 O ATOM 862 CB ALA A 59 16.038 -8.330 12.967 1.00 0.00 C ATOM 0 H ALA A 59 17.836 -8.751 14.589 1.00 0.00 H new ATOM 0 HA ALA A 59 17.315 -6.615 12.891 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.301 -7.915 12.280 1.00 0.00 H new ATOM 0 HB2 ALA A 59 16.741 -8.952 12.413 1.00 0.00 H new ATOM 0 HB3 ALA A 59 15.532 -8.935 13.719 1.00 0.00 H new ATOM 868 N ALA A 60 15.208 -6.771 15.436 1.00 0.00 N ATOM 869 CA ALA A 60 14.255 -5.986 16.211 1.00 0.00 C ATOM 870 C ALA A 60 14.871 -4.667 16.665 1.00 0.00 C ATOM 871 O ALA A 60 14.163 -3.684 16.883 1.00 0.00 O ATOM 872 CB ALA A 60 13.767 -6.783 17.411 1.00 0.00 C ATOM 0 H ALA A 60 15.358 -7.717 15.785 1.00 0.00 H new ATOM 0 HA ALA A 60 13.404 -5.758 15.570 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.056 -6.184 17.981 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.280 -7.696 17.068 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.615 -7.041 18.046 1.00 0.00 H new ATOM 878 N GLU A 61 16.192 -4.654 16.806 1.00 0.00 N ATOM 879 CA GLU A 61 16.902 -3.454 17.236 1.00 0.00 C ATOM 880 C GLU A 61 17.221 -2.555 16.045 1.00 0.00 C ATOM 881 O GLU A 61 17.368 -1.341 16.191 1.00 0.00 O ATOM 882 CB GLU A 61 18.194 -3.833 17.964 1.00 0.00 C ATOM 883 CG GLU A 61 17.983 -4.806 19.112 1.00 0.00 C ATOM 884 CD GLU A 61 19.179 -4.880 20.040 1.00 0.00 C ATOM 885 OE1 GLU A 61 20.322 -4.791 19.545 1.00 0.00 O ATOM 886 OE2 GLU A 61 18.972 -5.027 21.263 1.00 0.00 O ATOM 0 H GLU A 61 16.792 -5.459 16.629 1.00 0.00 H new ATOM 0 HA GLU A 61 16.255 -2.905 17.920 1.00 0.00 H new ATOM 0 HB2 GLU A 61 18.888 -4.273 17.249 1.00 0.00 H new ATOM 0 HB3 GLU A 61 18.664 -2.927 18.348 1.00 0.00 H new ATOM 0 HG2 GLU A 61 17.104 -4.505 19.682 1.00 0.00 H new ATOM 0 HG3 GLU A 61 17.778 -5.798 18.710 1.00 0.00 H new ATOM 893 N THR A 62 17.328 -3.159 14.866 1.00 0.00 N ATOM 894 CA THR A 62 17.631 -2.415 13.650 1.00 0.00 C ATOM 895 C THR A 62 16.380 -1.753 13.085 1.00 0.00 C ATOM 896 O THR A 62 16.467 -0.820 12.285 1.00 0.00 O ATOM 897 CB THR A 62 18.248 -3.326 12.573 1.00 0.00 C ATOM 898 OG1 THR A 62 17.283 -4.290 12.136 1.00 0.00 O ATOM 899 CG2 THR A 62 19.480 -4.040 13.108 1.00 0.00 C ATOM 0 H THR A 62 17.209 -4.163 14.727 1.00 0.00 H new ATOM 0 HA THR A 62 18.354 -1.646 13.922 1.00 0.00 H new ATOM 0 HB THR A 62 18.547 -2.704 11.730 1.00 0.00 H new ATOM 0 HG1 THR A 62 16.515 -4.283 12.745 1.00 0.00 H new ATOM 0 HG21 THR A 62 19.898 -4.678 12.329 1.00 0.00 H new ATOM 0 HG22 THR A 62 20.224 -3.304 13.412 1.00 0.00 H new ATOM 0 HG23 THR A 62 19.202 -4.651 13.967 1.00 0.00 H new ATOM 907 N ILE A 63 15.217 -2.240 13.504 1.00 0.00 N ATOM 908 CA ILE A 63 13.948 -1.693 13.040 1.00 0.00 C ATOM 909 C ILE A 63 13.533 -0.485 13.872 1.00 0.00 C ATOM 910 O ILE A 63 13.171 -0.618 15.042 1.00 0.00 O ATOM 911 CB ILE A 63 12.828 -2.749 13.093 1.00 0.00 C ATOM 912 CG1 ILE A 63 13.198 -3.960 12.235 1.00 0.00 C ATOM 913 CG2 ILE A 63 11.511 -2.146 12.627 1.00 0.00 C ATOM 914 CD1 ILE A 63 12.408 -5.205 12.574 1.00 0.00 C ATOM 0 H ILE A 63 15.127 -3.012 14.164 1.00 0.00 H new ATOM 0 HA ILE A 63 14.096 -1.384 12.005 1.00 0.00 H new ATOM 0 HB ILE A 63 12.710 -3.081 14.124 1.00 0.00 H new ATOM 0 HG12 ILE A 63 13.039 -3.713 11.185 1.00 0.00 H new ATOM 0 HG13 ILE A 63 14.261 -4.170 12.356 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.729 -2.904 12.670 1.00 0.00 H new ATOM 0 HG22 ILE A 63 11.244 -1.311 13.275 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.616 -1.790 11.602 1.00 0.00 H new ATOM 0 HD11 ILE A 63 12.723 -6.023 11.926 1.00 0.00 H new ATOM 0 HD12 ILE A 63 12.586 -5.477 13.615 1.00 0.00 H new ATOM 0 HD13 ILE A 63 11.345 -5.013 12.426 1.00 0.00 H new ATOM 926 N LEU A 64 13.585 0.693 13.261 1.00 0.00 N ATOM 927 CA LEU A 64 13.212 1.927 13.945 1.00 0.00 C ATOM 928 C LEU A 64 11.913 2.492 13.379 1.00 0.00 C ATOM 929 O LEU A 64 11.053 2.966 14.122 1.00 0.00 O ATOM 930 CB LEU A 64 14.330 2.962 13.817 1.00 0.00 C ATOM 931 CG LEU A 64 15.730 2.491 14.214 1.00 0.00 C ATOM 932 CD1 LEU A 64 16.789 3.413 13.630 1.00 0.00 C ATOM 933 CD2 LEU A 64 15.859 2.421 15.729 1.00 0.00 C ATOM 0 H LEU A 64 13.882 0.820 12.293 1.00 0.00 H new ATOM 0 HA LEU A 64 13.058 1.697 14.999 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.364 3.305 12.783 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.071 3.825 14.431 1.00 0.00 H new ATOM 0 HG LEU A 64 15.885 1.491 13.809 1.00 0.00 H new ATOM 0 HD11 LEU A 64 17.779 3.062 13.923 1.00 0.00 H new ATOM 0 HD12 LEU A 64 16.711 3.414 12.543 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.637 4.425 14.005 1.00 0.00 H new ATOM 0 HD21 LEU A 64 16.861 2.084 15.994 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.684 3.409 16.155 1.00 0.00 H new ATOM 0 HD23 LEU A 64 15.124 1.720 16.125 1.00 0.00 H new ATOM 945 N THR A 65 11.775 2.436 12.058 1.00 0.00 N ATOM 946 CA THR A 65 10.581 2.941 11.392 1.00 0.00 C ATOM 947 C THR A 65 9.814 1.814 10.711 1.00 0.00 C ATOM 948 O THR A 65 10.324 0.704 10.560 1.00 0.00 O ATOM 949 CB THR A 65 10.934 4.013 10.344 1.00 0.00 C ATOM 950 OG1 THR A 65 11.787 3.454 9.339 1.00 0.00 O ATOM 951 CG2 THR A 65 11.623 5.202 10.996 1.00 0.00 C ATOM 0 H THR A 65 12.476 2.046 11.428 1.00 0.00 H new ATOM 0 HA THR A 65 9.954 3.389 12.163 1.00 0.00 H new ATOM 0 HB THR A 65 10.008 4.357 9.884 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.005 4.142 8.676 1.00 0.00 H new ATOM 0 HG21 THR A 65 11.862 5.946 10.236 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.960 5.644 11.740 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.541 4.870 11.480 1.00 0.00 H new ATOM 959 N VAL A 66 8.584 2.106 10.300 1.00 0.00 N ATOM 960 CA VAL A 66 7.746 1.117 9.632 1.00 0.00 C ATOM 961 C VAL A 66 8.469 0.496 8.443 1.00 0.00 C ATOM 962 O VAL A 66 8.349 -0.700 8.185 1.00 0.00 O ATOM 963 CB VAL A 66 6.422 1.738 9.147 1.00 0.00 C ATOM 964 CG1 VAL A 66 5.582 0.702 8.417 1.00 0.00 C ATOM 965 CG2 VAL A 66 5.653 2.332 10.317 1.00 0.00 C ATOM 0 H VAL A 66 8.146 3.019 10.418 1.00 0.00 H new ATOM 0 HA VAL A 66 7.527 0.341 10.366 1.00 0.00 H new ATOM 0 HB VAL A 66 6.652 2.542 8.448 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.651 1.159 8.082 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.134 0.328 7.554 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.358 -0.125 9.091 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.721 2.766 9.957 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.432 1.549 11.042 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.255 3.107 10.792 1.00 0.00 H new ATOM 975 N GLY A 67 9.223 1.320 7.720 1.00 0.00 N ATOM 976 CA GLY A 67 9.956 0.834 6.565 1.00 0.00 C ATOM 977 C GLY A 67 10.808 -0.378 6.888 1.00 0.00 C ATOM 978 O GLY A 67 10.728 -1.400 6.207 1.00 0.00 O ATOM 0 H GLY A 67 9.339 2.315 7.914 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.252 0.579 5.773 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.593 1.631 6.181 1.00 0.00 H new ATOM 982 N ASP A 68 11.627 -0.263 7.927 1.00 0.00 N ATOM 983 CA ASP A 68 12.498 -1.358 8.338 1.00 0.00 C ATOM 984 C ASP A 68 11.687 -2.612 8.647 1.00 0.00 C ATOM 985 O ASP A 68 11.932 -3.677 8.082 1.00 0.00 O ATOM 986 CB ASP A 68 13.319 -0.952 9.563 1.00 0.00 C ATOM 987 CG ASP A 68 14.597 -0.225 9.189 1.00 0.00 C ATOM 988 OD1 ASP A 68 15.575 -0.902 8.810 1.00 0.00 O ATOM 989 OD2 ASP A 68 14.617 1.020 9.275 1.00 0.00 O ATOM 0 H ASP A 68 11.706 0.577 8.500 1.00 0.00 H new ATOM 0 HA ASP A 68 13.175 -1.580 7.513 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.715 -0.312 10.206 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.567 -1.842 10.142 1.00 0.00 H new ATOM 994 N ALA A 69 10.720 -2.478 9.550 1.00 0.00 N ATOM 995 CA ALA A 69 9.872 -3.599 9.933 1.00 0.00 C ATOM 996 C ALA A 69 9.270 -4.277 8.707 1.00 0.00 C ATOM 997 O ALA A 69 9.303 -5.501 8.583 1.00 0.00 O ATOM 998 CB ALA A 69 8.771 -3.131 10.874 1.00 0.00 C ATOM 0 H ALA A 69 10.505 -1.604 10.029 1.00 0.00 H new ATOM 0 HA ALA A 69 10.492 -4.330 10.452 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.145 -3.979 11.152 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.217 -2.700 11.770 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.161 -2.378 10.375 1.00 0.00 H new ATOM 1004 N VAL A 70 8.720 -3.473 7.803 1.00 0.00 N ATOM 1005 CA VAL A 70 8.111 -3.995 6.585 1.00 0.00 C ATOM 1006 C VAL A 70 9.142 -4.705 5.716 1.00 0.00 C ATOM 1007 O VAL A 70 8.986 -5.880 5.382 1.00 0.00 O ATOM 1008 CB VAL A 70 7.447 -2.874 5.764 1.00 0.00 C ATOM 1009 CG1 VAL A 70 6.839 -3.435 4.488 1.00 0.00 C ATOM 1010 CG2 VAL A 70 6.394 -2.157 6.595 1.00 0.00 C ATOM 0 H VAL A 70 8.684 -2.457 7.891 1.00 0.00 H new ATOM 0 HA VAL A 70 7.347 -4.709 6.894 1.00 0.00 H new ATOM 0 HB VAL A 70 8.212 -2.150 5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.374 -2.628 3.921 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.620 -3.898 3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.086 -4.181 4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.935 -1.368 5.999 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.629 -2.869 6.906 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.862 -1.720 7.477 1.00 0.00 H new ATOM 1020 N LYS A 71 10.197 -3.985 5.351 1.00 0.00 N ATOM 1021 CA LYS A 71 11.257 -4.545 4.521 1.00 0.00 C ATOM 1022 C LYS A 71 11.773 -5.855 5.108 1.00 0.00 C ATOM 1023 O LYS A 71 12.139 -6.773 4.375 1.00 0.00 O ATOM 1024 CB LYS A 71 12.409 -3.546 4.386 1.00 0.00 C ATOM 1025 CG LYS A 71 12.603 -3.029 2.971 1.00 0.00 C ATOM 1026 CD LYS A 71 12.578 -1.511 2.924 1.00 0.00 C ATOM 1027 CE LYS A 71 12.573 -0.998 1.492 1.00 0.00 C ATOM 1028 NZ LYS A 71 11.192 -0.728 1.005 1.00 0.00 N ATOM 0 H LYS A 71 10.341 -3.011 5.617 1.00 0.00 H new ATOM 0 HA LYS A 71 10.842 -4.748 3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.226 -2.702 5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.332 -4.021 4.720 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.553 -3.391 2.578 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.819 -3.427 2.327 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.694 -1.144 3.446 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.447 -1.115 3.450 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.165 -0.085 1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.051 -1.731 0.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.231 -0.380 0.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.634 -1.605 1.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.745 -0.010 1.610 1.00 0.00 H new ATOM 1042 N PHE A 72 11.797 -5.935 6.434 1.00 0.00 N ATOM 1043 CA PHE A 72 12.267 -7.134 7.119 1.00 0.00 C ATOM 1044 C PHE A 72 11.298 -8.294 6.912 1.00 0.00 C ATOM 1045 O PHE A 72 11.665 -9.332 6.361 1.00 0.00 O ATOM 1046 CB PHE A 72 12.438 -6.859 8.615 1.00 0.00 C ATOM 1047 CG PHE A 72 13.855 -7.001 9.092 1.00 0.00 C ATOM 1048 CD1 PHE A 72 14.426 -8.255 9.242 1.00 0.00 C ATOM 1049 CD2 PHE A 72 14.615 -5.882 9.391 1.00 0.00 C ATOM 1050 CE1 PHE A 72 15.730 -8.390 9.681 1.00 0.00 C ATOM 1051 CE2 PHE A 72 15.920 -6.011 9.830 1.00 0.00 C ATOM 1052 CZ PHE A 72 16.477 -7.266 9.976 1.00 0.00 C ATOM 0 H PHE A 72 11.497 -5.184 7.056 1.00 0.00 H new ATOM 0 HA PHE A 72 13.232 -7.409 6.694 1.00 0.00 H new ATOM 0 HB2 PHE A 72 12.089 -5.850 8.833 1.00 0.00 H new ATOM 0 HB3 PHE A 72 11.803 -7.544 9.177 1.00 0.00 H new ATOM 0 HD1 PHE A 72 13.846 -9.137 9.013 1.00 0.00 H new ATOM 0 HD2 PHE A 72 14.184 -4.898 9.280 1.00 0.00 H new ATOM 0 HE1 PHE A 72 16.164 -9.373 9.793 1.00 0.00 H new ATOM 0 HE2 PHE A 72 16.503 -5.131 10.058 1.00 0.00 H new ATOM 0 HZ PHE A 72 17.495 -7.369 10.320 1.00 0.00 H new ATOM 1062 N ILE A 73 10.060 -8.110 7.358 1.00 0.00 N ATOM 1063 CA ILE A 73 9.038 -9.140 7.221 1.00 0.00 C ATOM 1064 C ILE A 73 8.855 -9.544 5.762 1.00 0.00 C ATOM 1065 O ILE A 73 8.452 -10.668 5.464 1.00 0.00 O ATOM 1066 CB ILE A 73 7.684 -8.669 7.785 1.00 0.00 C ATOM 1067 CG1 ILE A 73 7.820 -8.314 9.267 1.00 0.00 C ATOM 1068 CG2 ILE A 73 6.625 -9.743 7.587 1.00 0.00 C ATOM 1069 CD1 ILE A 73 6.803 -7.300 9.741 1.00 0.00 C ATOM 0 H ILE A 73 9.741 -7.257 7.817 1.00 0.00 H new ATOM 0 HA ILE A 73 9.381 -10.002 7.794 1.00 0.00 H new ATOM 0 HB ILE A 73 7.373 -7.776 7.244 1.00 0.00 H new ATOM 0 HG12 ILE A 73 7.719 -9.223 9.861 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.822 -7.924 9.449 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.674 -9.395 7.991 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.513 -9.952 6.523 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.928 -10.653 8.105 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.959 -7.096 10.800 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.918 -6.377 9.173 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.798 -7.695 9.592 1.00 0.00 H new ATOM 1081 N ASP A 74 9.157 -8.619 4.857 1.00 0.00 N ATOM 1082 CA ASP A 74 9.029 -8.879 3.427 1.00 0.00 C ATOM 1083 C ASP A 74 10.184 -9.741 2.926 1.00 0.00 C ATOM 1084 O ASP A 74 9.975 -10.840 2.414 1.00 0.00 O ATOM 1085 CB ASP A 74 8.984 -7.562 2.650 1.00 0.00 C ATOM 1086 CG ASP A 74 8.623 -7.763 1.192 1.00 0.00 C ATOM 1087 OD1 ASP A 74 8.531 -8.931 0.759 1.00 0.00 O ATOM 1088 OD2 ASP A 74 8.432 -6.752 0.483 1.00 0.00 O ATOM 0 H ASP A 74 9.492 -7.684 5.088 1.00 0.00 H new ATOM 0 HA ASP A 74 8.098 -9.421 3.263 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.257 -6.895 3.113 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.955 -7.071 2.717 1.00 0.00 H new ATOM 1093 N LYS A 75 11.402 -9.233 3.077 1.00 0.00 N ATOM 1094 CA LYS A 75 12.592 -9.955 2.640 1.00 0.00 C ATOM 1095 C LYS A 75 12.676 -11.322 3.313 1.00 0.00 C ATOM 1096 O LYS A 75 13.215 -12.271 2.745 1.00 0.00 O ATOM 1097 CB LYS A 75 13.850 -9.143 2.953 1.00 0.00 C ATOM 1098 CG LYS A 75 15.142 -9.902 2.705 1.00 0.00 C ATOM 1099 CD LYS A 75 16.327 -8.960 2.577 1.00 0.00 C ATOM 1100 CE LYS A 75 17.638 -9.725 2.477 1.00 0.00 C ATOM 1101 NZ LYS A 75 17.888 -10.559 3.685 1.00 0.00 N ATOM 0 H LYS A 75 11.592 -8.324 3.499 1.00 0.00 H new ATOM 0 HA LYS A 75 12.522 -10.103 1.562 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.848 -8.238 2.346 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.818 -8.828 3.996 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.318 -10.600 3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.048 -10.495 1.795 1.00 0.00 H new ATOM 0 HD2 LYS A 75 16.202 -8.334 1.694 1.00 0.00 H new ATOM 0 HD3 LYS A 75 16.358 -8.293 3.439 1.00 0.00 H new ATOM 0 HE2 LYS A 75 17.620 -10.363 1.593 1.00 0.00 H new ATOM 0 HE3 LYS A 75 18.460 -9.021 2.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 18.898 -10.803 3.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 17.617 -10.027 4.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 17.324 -11.431 3.628 1.00 0.00 H new ATOM 1115 N ALA A 76 12.138 -11.414 4.524 1.00 0.00 N ATOM 1116 CA ALA A 76 12.150 -12.666 5.272 1.00 0.00 C ATOM 1117 C ALA A 76 11.049 -13.604 4.789 1.00 0.00 C ATOM 1118 O ALA A 76 11.152 -14.822 4.929 1.00 0.00 O ATOM 1119 CB ALA A 76 11.997 -12.393 6.761 1.00 0.00 C ATOM 0 H ALA A 76 11.688 -10.637 5.009 1.00 0.00 H new ATOM 0 HA ALA A 76 13.109 -13.154 5.100 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.008 -13.336 7.307 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.821 -11.767 7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.052 -11.880 6.942 1.00 0.00 H new ATOM 1125 N SER A 77 9.994 -13.028 4.220 1.00 0.00 N ATOM 1126 CA SER A 77 8.872 -13.813 3.720 1.00 0.00 C ATOM 1127 C SER A 77 9.334 -14.811 2.663 1.00 0.00 C ATOM 1128 O SER A 77 8.781 -15.903 2.541 1.00 0.00 O ATOM 1129 CB SER A 77 7.799 -12.892 3.134 1.00 0.00 C ATOM 1130 OG SER A 77 8.034 -12.648 1.758 1.00 0.00 O ATOM 0 H SER A 77 9.893 -12.021 4.094 1.00 0.00 H new ATOM 0 HA SER A 77 8.448 -14.368 4.557 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.816 -13.345 3.264 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.789 -11.947 3.678 1.00 0.00 H new ATOM 0 HG SER A 77 8.744 -11.979 1.661 1.00 0.00 H new ATOM 1136 N ALA A 78 10.353 -14.427 1.902 1.00 0.00 N ATOM 1137 CA ALA A 78 10.893 -15.288 0.856 1.00 0.00 C ATOM 1138 C ALA A 78 12.305 -15.750 1.200 1.00 0.00 C ATOM 1139 O ALA A 78 13.272 -15.010 1.016 1.00 0.00 O ATOM 1140 CB ALA A 78 10.883 -14.563 -0.481 1.00 0.00 C ATOM 0 H ALA A 78 10.822 -13.525 1.990 1.00 0.00 H new ATOM 0 HA ALA A 78 10.258 -16.171 0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.289 -15.217 -1.253 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.860 -14.289 -0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.493 -13.663 -0.411 1.00 0.00 H new TER 1146 ALA A 78