USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 585 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 60 TYR OH : rot 15:sc= 0.112 USER MOD Set 1.2: A 70 SER OG : rot 155:sc= 0.112 USER MOD Single : A 1 MET CE :methyl 156:sc= -0.094 (180deg=-0.843) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.0511 (180deg=-0.561) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0382) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 155:sc= -0.16 (180deg=-1.09) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.151 K(o=-0.15,f=-1.6!) USER MOD Single : A 39 MET CE :methyl -139:sc= -0.266 (180deg=-2.97!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= -0.0306 (180deg=-0.415) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -1.7! C(o=-1.7!,f=-10!) USER MOD Single : A 71 THR OG1 : rot 44:sc= 0.238 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 77 THR OG1 : rot -19:sc= 0.355 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 72.384 0.163 -11.095 1.00 0.00 N ATOM 2 CA MET A 1 71.505 -0.059 -9.913 1.00 0.00 C ATOM 3 C MET A 1 71.588 -1.521 -9.486 1.00 0.00 C ATOM 4 O MET A 1 71.347 -2.425 -10.285 1.00 0.00 O ATOM 5 CB MET A 1 70.060 0.297 -10.273 1.00 0.00 C ATOM 6 CG MET A 1 69.954 1.806 -10.514 1.00 0.00 C ATOM 7 SD MET A 1 68.285 2.218 -11.085 1.00 0.00 S ATOM 8 CE MET A 1 67.404 1.857 -9.544 1.00 0.00 C ATOM 0 H1 MET A 1 72.613 1.174 -11.172 1.00 0.00 H new ATOM 0 H2 MET A 1 73.262 -0.383 -10.982 1.00 0.00 H new ATOM 0 H3 MET A 1 71.891 -0.147 -11.957 1.00 0.00 H new ATOM 0 HA MET A 1 71.834 0.575 -9.090 1.00 0.00 H new ATOM 0 HB2 MET A 1 69.751 -0.248 -11.165 1.00 0.00 H new ATOM 0 HB3 MET A 1 69.389 -0.002 -9.468 1.00 0.00 H new ATOM 0 HG2 MET A 1 70.178 2.347 -9.595 1.00 0.00 H new ATOM 0 HG3 MET A 1 70.690 2.118 -11.255 1.00 0.00 H new ATOM 0 HE1 MET A 1 66.471 2.421 -9.517 1.00 0.00 H new ATOM 0 HE2 MET A 1 67.185 0.791 -9.491 1.00 0.00 H new ATOM 0 HE3 MET A 1 68.025 2.142 -8.695 1.00 0.00 H new ATOM 20 N TYR A 2 71.926 -1.743 -8.219 1.00 0.00 N ATOM 21 CA TYR A 2 72.033 -3.101 -7.692 1.00 0.00 C ATOM 22 C TYR A 2 70.640 -3.610 -7.342 1.00 0.00 C ATOM 23 O TYR A 2 69.872 -2.917 -6.675 1.00 0.00 O ATOM 24 CB TYR A 2 72.925 -3.109 -6.435 1.00 0.00 C ATOM 25 CG TYR A 2 73.536 -4.491 -6.219 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.716 -5.605 -5.958 1.00 0.00 C ATOM 27 CD2 TYR A 2 74.932 -4.661 -6.285 1.00 0.00 C ATOM 28 CE1 TYR A 2 73.287 -6.870 -5.770 1.00 0.00 C ATOM 29 CE2 TYR A 2 75.495 -5.928 -6.094 1.00 0.00 C ATOM 30 CZ TYR A 2 74.675 -7.030 -5.836 1.00 0.00 C ATOM 31 OH TYR A 2 75.237 -8.277 -5.651 1.00 0.00 O ATOM 0 H TYR A 2 72.129 -1.007 -7.543 1.00 0.00 H new ATOM 0 HA TYR A 2 72.482 -3.750 -8.444 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.717 -2.368 -6.540 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.336 -2.825 -5.563 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.644 -5.484 -5.903 1.00 0.00 H new ATOM 0 HD2 TYR A 2 75.570 -3.812 -6.483 1.00 0.00 H new ATOM 0 HE1 TYR A 2 72.655 -7.723 -5.574 1.00 0.00 H new ATOM 0 HE2 TYR A 2 76.566 -6.055 -6.146 1.00 0.00 H new ATOM 0 HH TYR A 2 76.212 -8.212 -5.730 1.00 0.00 H new ATOM 41 N GLU A 3 70.321 -4.821 -7.794 1.00 0.00 N ATOM 42 CA GLU A 3 69.015 -5.423 -7.526 1.00 0.00 C ATOM 43 C GLU A 3 69.173 -6.641 -6.621 1.00 0.00 C ATOM 44 O GLU A 3 69.903 -7.576 -6.950 1.00 0.00 O ATOM 45 CB GLU A 3 68.369 -5.849 -8.849 1.00 0.00 C ATOM 46 CG GLU A 3 68.169 -4.615 -9.746 1.00 0.00 C ATOM 47 CD GLU A 3 69.461 -4.288 -10.493 1.00 0.00 C ATOM 48 OE1 GLU A 3 70.454 -4.948 -10.236 1.00 0.00 O ATOM 49 OE2 GLU A 3 69.430 -3.398 -11.326 1.00 0.00 O ATOM 0 H GLU A 3 70.948 -5.405 -8.347 1.00 0.00 H new ATOM 0 HA GLU A 3 68.381 -4.690 -7.026 1.00 0.00 H new ATOM 0 HB2 GLU A 3 69.000 -6.580 -9.355 1.00 0.00 H new ATOM 0 HB3 GLU A 3 67.411 -6.332 -8.659 1.00 0.00 H new ATOM 0 HG2 GLU A 3 67.366 -4.801 -10.459 1.00 0.00 H new ATOM 0 HG3 GLU A 3 67.865 -3.762 -9.140 1.00 0.00 H new ATOM 56 N PHE A 4 68.478 -6.642 -5.481 1.00 0.00 N ATOM 57 CA PHE A 4 68.554 -7.777 -4.551 1.00 0.00 C ATOM 58 C PHE A 4 67.390 -8.730 -4.804 1.00 0.00 C ATOM 59 O PHE A 4 66.225 -8.338 -4.736 1.00 0.00 O ATOM 60 CB PHE A 4 68.559 -7.283 -3.083 1.00 0.00 C ATOM 61 CG PHE A 4 68.129 -8.388 -2.117 1.00 0.00 C ATOM 62 CD1 PHE A 4 68.860 -9.585 -2.022 1.00 0.00 C ATOM 63 CD2 PHE A 4 66.975 -8.215 -1.328 1.00 0.00 C ATOM 64 CE1 PHE A 4 68.442 -10.593 -1.144 1.00 0.00 C ATOM 65 CE2 PHE A 4 66.563 -9.229 -0.457 1.00 0.00 C ATOM 66 CZ PHE A 4 67.294 -10.416 -0.366 1.00 0.00 C ATOM 0 H PHE A 4 67.865 -5.884 -5.181 1.00 0.00 H new ATOM 0 HA PHE A 4 69.487 -8.314 -4.722 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.558 -6.936 -2.819 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.888 -6.430 -2.983 1.00 0.00 H new ATOM 0 HD1 PHE A 4 69.744 -9.727 -2.626 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.408 -7.298 -1.396 1.00 0.00 H new ATOM 0 HE1 PHE A 4 69.008 -11.510 -1.068 1.00 0.00 H new ATOM 0 HE2 PHE A 4 65.678 -9.094 0.147 1.00 0.00 H new ATOM 0 HZ PHE A 4 66.972 -11.198 0.306 1.00 0.00 H new ATOM 76 N LYS A 5 67.729 -9.983 -5.103 1.00 0.00 N ATOM 77 CA LYS A 5 66.732 -11.015 -5.377 1.00 0.00 C ATOM 78 C LYS A 5 67.008 -12.247 -4.520 1.00 0.00 C ATOM 79 O LYS A 5 68.127 -12.752 -4.490 1.00 0.00 O ATOM 80 CB LYS A 5 66.794 -11.409 -6.853 1.00 0.00 C ATOM 81 CG LYS A 5 65.581 -12.268 -7.208 1.00 0.00 C ATOM 82 CD LYS A 5 65.591 -12.553 -8.711 1.00 0.00 C ATOM 83 CE LYS A 5 64.383 -13.413 -9.076 1.00 0.00 C ATOM 84 NZ LYS A 5 64.396 -13.690 -10.540 1.00 0.00 N ATOM 0 H LYS A 5 68.694 -10.309 -5.162 1.00 0.00 H new ATOM 0 HA LYS A 5 65.743 -10.623 -5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 5 66.814 -10.516 -7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 5 67.713 -11.959 -7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.606 -13.203 -6.648 1.00 0.00 H new ATOM 0 HG3 LYS A 5 64.661 -11.753 -6.929 1.00 0.00 H new ATOM 0 HD2 LYS A 5 65.566 -11.617 -9.269 1.00 0.00 H new ATOM 0 HD3 LYS A 5 66.512 -13.065 -8.988 1.00 0.00 H new ATOM 0 HE2 LYS A 5 64.407 -14.349 -8.518 1.00 0.00 H new ATOM 0 HE3 LYS A 5 63.461 -12.901 -8.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 63.439 -13.951 -10.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 64.708 -12.840 -11.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 65.051 -14.473 -10.739 1.00 0.00 H new ATOM 98 N LEU A 6 65.977 -12.725 -3.832 1.00 0.00 N ATOM 99 CA LEU A 6 66.123 -13.908 -2.976 1.00 0.00 C ATOM 100 C LEU A 6 66.901 -14.999 -3.729 1.00 0.00 C ATOM 101 O LEU A 6 66.344 -15.626 -4.631 1.00 0.00 O ATOM 102 CB LEU A 6 64.735 -14.464 -2.588 1.00 0.00 C ATOM 103 CG LEU A 6 64.873 -15.511 -1.459 1.00 0.00 C ATOM 104 CD1 LEU A 6 64.910 -14.816 -0.090 1.00 0.00 C ATOM 105 CD2 LEU A 6 63.668 -16.457 -1.488 1.00 0.00 C ATOM 0 H LEU A 6 65.040 -12.321 -3.846 1.00 0.00 H new ATOM 0 HA LEU A 6 66.663 -13.619 -2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.088 -13.650 -2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 6 64.261 -14.918 -3.458 1.00 0.00 H new ATOM 0 HG LEU A 6 65.798 -16.067 -1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 6 65.007 -15.565 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 6 65.761 -14.136 -0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 6 63.988 -14.253 0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 6 63.766 -17.195 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 6 62.752 -15.884 -1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 6 63.628 -16.966 -2.451 1.00 0.00 H new ATOM 117 N PRO A 7 68.158 -15.254 -3.408 1.00 0.00 N ATOM 118 CA PRO A 7 68.947 -16.307 -4.124 1.00 0.00 C ATOM 119 C PRO A 7 68.272 -17.674 -4.053 1.00 0.00 C ATOM 120 O PRO A 7 67.631 -18.010 -3.057 1.00 0.00 O ATOM 121 CB PRO A 7 70.305 -16.326 -3.401 1.00 0.00 C ATOM 122 CG PRO A 7 70.407 -14.998 -2.726 1.00 0.00 C ATOM 123 CD PRO A 7 68.977 -14.592 -2.369 1.00 0.00 C ATOM 0 HA PRO A 7 69.039 -16.088 -5.188 1.00 0.00 H new ATOM 0 HB2 PRO A 7 70.355 -17.140 -2.678 1.00 0.00 H new ATOM 0 HB3 PRO A 7 71.124 -16.474 -4.105 1.00 0.00 H new ATOM 0 HG2 PRO A 7 71.028 -15.062 -1.833 1.00 0.00 H new ATOM 0 HG3 PRO A 7 70.869 -14.261 -3.383 1.00 0.00 H new ATOM 0 HD2 PRO A 7 68.703 -14.927 -1.369 1.00 0.00 H new ATOM 0 HD3 PRO A 7 68.851 -13.509 -2.388 1.00 0.00 H new ATOM 221 N GLU A 15 58.057 -21.317 -1.682 1.00 0.00 N ATOM 222 CA GLU A 15 57.695 -19.909 -1.504 1.00 0.00 C ATOM 223 C GLU A 15 58.498 -19.281 -0.367 1.00 0.00 C ATOM 224 O GLU A 15 58.979 -19.982 0.522 1.00 0.00 O ATOM 225 CB GLU A 15 56.182 -19.768 -1.247 1.00 0.00 C ATOM 226 CG GLU A 15 55.807 -20.274 0.156 1.00 0.00 C ATOM 227 CD GLU A 15 54.300 -20.170 0.356 1.00 0.00 C ATOM 228 OE1 GLU A 15 53.647 -19.586 -0.492 1.00 0.00 O ATOM 229 OE2 GLU A 15 53.820 -20.680 1.356 1.00 0.00 O ATOM 0 HA GLU A 15 57.938 -19.375 -2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 15 55.889 -18.723 -1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 15 55.629 -20.330 -1.999 1.00 0.00 H new ATOM 0 HG2 GLU A 15 56.129 -21.308 0.278 1.00 0.00 H new ATOM 0 HG3 GLU A 15 56.325 -19.688 0.915 1.00 0.00 H new ATOM 236 N GLY A 16 58.648 -17.948 -0.401 1.00 0.00 N ATOM 237 CA GLY A 16 59.405 -17.238 0.636 1.00 0.00 C ATOM 238 C GLY A 16 58.478 -16.355 1.466 1.00 0.00 C ATOM 239 O GLY A 16 57.432 -15.923 0.988 1.00 0.00 O ATOM 0 H GLY A 16 58.259 -17.347 -1.128 1.00 0.00 H new ATOM 0 HA2 GLY A 16 59.908 -17.956 1.283 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.181 -16.627 0.174 1.00 0.00 H new ATOM 243 N GLU A 17 58.870 -16.080 2.714 1.00 0.00 N ATOM 244 CA GLU A 17 58.065 -15.237 3.598 1.00 0.00 C ATOM 245 C GLU A 17 58.970 -14.330 4.424 1.00 0.00 C ATOM 246 O GLU A 17 60.045 -14.738 4.863 1.00 0.00 O ATOM 247 CB GLU A 17 57.216 -16.110 4.526 1.00 0.00 C ATOM 248 CG GLU A 17 56.300 -15.223 5.374 1.00 0.00 C ATOM 249 CD GLU A 17 55.420 -16.092 6.267 1.00 0.00 C ATOM 250 OE1 GLU A 17 55.375 -17.288 6.036 1.00 0.00 O ATOM 251 OE2 GLU A 17 54.807 -15.547 7.172 1.00 0.00 O ATOM 0 H GLU A 17 59.734 -16.427 3.131 1.00 0.00 H new ATOM 0 HA GLU A 17 57.405 -14.619 2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 17 56.620 -16.809 3.939 1.00 0.00 H new ATOM 0 HB3 GLU A 17 57.861 -16.706 5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 17 56.898 -14.546 5.985 1.00 0.00 H new ATOM 0 HG3 GLU A 17 55.678 -14.604 4.728 1.00 0.00 H new ATOM 258 N ILE A 18 58.537 -13.086 4.614 1.00 0.00 N ATOM 259 CA ILE A 18 59.323 -12.103 5.368 1.00 0.00 C ATOM 260 C ILE A 18 58.764 -11.921 6.779 1.00 0.00 C ATOM 261 O ILE A 18 57.586 -11.614 6.953 1.00 0.00 O ATOM 262 CB ILE A 18 59.290 -10.764 4.622 1.00 0.00 C ATOM 263 CG1 ILE A 18 59.759 -10.952 3.160 1.00 0.00 C ATOM 264 CG2 ILE A 18 60.194 -9.753 5.327 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.295 -11.006 3.066 1.00 0.00 C ATOM 0 H ILE A 18 57.649 -12.732 4.259 1.00 0.00 H new ATOM 0 HA ILE A 18 60.349 -12.461 5.454 1.00 0.00 H new ATOM 0 HB ILE A 18 58.266 -10.391 4.619 1.00 0.00 H new ATOM 0 HG12 ILE A 18 59.336 -11.871 2.756 1.00 0.00 H new ATOM 0 HG13 ILE A 18 59.384 -10.132 2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 18 60.166 -8.804 4.791 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.845 -9.604 6.349 1.00 0.00 H new ATOM 0 HG23 ILE A 18 61.217 -10.129 5.344 1.00 0.00 H new ATOM 0 HD11 ILE A 18 61.591 -11.139 2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 18 61.716 -10.076 3.447 1.00 0.00 H new ATOM 0 HD13 ILE A 18 61.667 -11.842 3.659 1.00 0.00 H new ATOM 277 N VAL A 19 59.620 -12.121 7.793 1.00 0.00 N ATOM 278 CA VAL A 19 59.197 -11.985 9.192 1.00 0.00 C ATOM 279 C VAL A 19 59.652 -10.662 9.824 1.00 0.00 C ATOM 280 O VAL A 19 58.875 -10.029 10.540 1.00 0.00 O ATOM 281 CB VAL A 19 59.741 -13.152 10.018 1.00 0.00 C ATOM 282 CG1 VAL A 19 59.051 -14.445 9.582 1.00 0.00 C ATOM 283 CG2 VAL A 19 61.250 -13.292 9.798 1.00 0.00 C ATOM 0 H VAL A 19 60.600 -12.375 7.671 1.00 0.00 H new ATOM 0 HA VAL A 19 58.107 -11.992 9.194 1.00 0.00 H new ATOM 0 HB VAL A 19 59.546 -12.962 11.074 1.00 0.00 H new ATOM 0 HG11 VAL A 19 59.436 -15.279 10.169 1.00 0.00 H new ATOM 0 HG12 VAL A 19 57.976 -14.355 9.741 1.00 0.00 H new ATOM 0 HG13 VAL A 19 59.248 -14.624 8.525 1.00 0.00 H new ATOM 0 HG21 VAL A 19 61.628 -14.125 10.390 1.00 0.00 H new ATOM 0 HG22 VAL A 19 61.448 -13.478 8.742 1.00 0.00 H new ATOM 0 HG23 VAL A 19 61.749 -12.373 10.105 1.00 0.00 H new ATOM 293 N ARG A 20 60.910 -10.251 9.600 1.00 0.00 N ATOM 294 CA ARG A 20 61.411 -9.008 10.217 1.00 0.00 C ATOM 295 C ARG A 20 62.248 -8.154 9.264 1.00 0.00 C ATOM 296 O ARG A 20 63.051 -8.666 8.486 1.00 0.00 O ATOM 297 CB ARG A 20 62.268 -9.366 11.434 1.00 0.00 C ATOM 298 CG ARG A 20 61.384 -9.939 12.546 1.00 0.00 C ATOM 299 CD ARG A 20 62.267 -10.336 13.729 1.00 0.00 C ATOM 300 NE ARG A 20 61.458 -10.860 14.824 1.00 0.00 N ATOM 301 CZ ARG A 20 62.026 -11.335 15.926 1.00 0.00 C ATOM 302 NH1 ARG A 20 63.325 -11.328 16.044 1.00 0.00 N ATOM 303 NH2 ARG A 20 61.285 -11.807 16.890 1.00 0.00 N ATOM 0 H ARG A 20 61.584 -10.743 9.014 1.00 0.00 H new ATOM 0 HA ARG A 20 60.538 -8.419 10.497 1.00 0.00 H new ATOM 0 HB2 ARG A 20 63.029 -10.093 11.152 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.791 -8.480 11.794 1.00 0.00 H new ATOM 0 HG2 ARG A 20 60.646 -9.200 12.858 1.00 0.00 H new ATOM 0 HG3 ARG A 20 60.833 -10.805 12.180 1.00 0.00 H new ATOM 0 HD2 ARG A 20 62.990 -11.088 13.413 1.00 0.00 H new ATOM 0 HD3 ARG A 20 62.835 -9.471 14.072 1.00 0.00 H new ATOM 0 HE ARG A 20 60.441 -10.861 14.742 1.00 0.00 H new ATOM 0 HH11 ARG A 20 63.904 -10.958 15.290 1.00 0.00 H new ATOM 0 HH12 ARG A 20 63.762 -11.693 16.890 1.00 0.00 H new ATOM 0 HH21 ARG A 20 60.269 -11.811 16.797 1.00 0.00 H new ATOM 0 HH22 ARG A 20 61.721 -12.172 17.737 1.00 0.00 H new ATOM 317 N TRP A 21 62.083 -6.830 9.389 1.00 0.00 N ATOM 318 CA TRP A 21 62.849 -5.855 8.599 1.00 0.00 C ATOM 319 C TRP A 21 63.613 -4.947 9.565 1.00 0.00 C ATOM 320 O TRP A 21 63.048 -4.483 10.556 1.00 0.00 O ATOM 321 CB TRP A 21 61.920 -4.960 7.749 1.00 0.00 C ATOM 322 CG TRP A 21 61.475 -5.638 6.491 1.00 0.00 C ATOM 323 CD1 TRP A 21 60.201 -6.012 6.230 1.00 0.00 C ATOM 324 CD2 TRP A 21 62.252 -5.979 5.300 1.00 0.00 C ATOM 325 NE1 TRP A 21 60.148 -6.565 4.965 1.00 0.00 N ATOM 326 CE2 TRP A 21 61.387 -6.575 4.354 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.612 -5.838 4.954 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.846 -7.010 3.114 1.00 0.00 C ATOM 329 CZ3 TRP A 21 64.078 -6.275 3.699 1.00 0.00 C ATOM 330 CH2 TRP A 21 63.195 -6.861 2.784 1.00 0.00 C ATOM 0 H TRP A 21 61.419 -6.406 10.037 1.00 0.00 H new ATOM 0 HA TRP A 21 63.518 -6.402 7.935 1.00 0.00 H new ATOM 0 HB2 TRP A 21 61.046 -4.683 8.339 1.00 0.00 H new ATOM 0 HB3 TRP A 21 62.440 -4.036 7.497 1.00 0.00 H new ATOM 0 HD1 TRP A 21 59.363 -5.897 6.901 1.00 0.00 H new ATOM 0 HE1 TRP A 21 59.296 -6.923 4.534 1.00 0.00 H new ATOM 0 HE3 TRP A 21 64.301 -5.392 5.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 61.162 -7.461 2.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 65.120 -6.158 3.441 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.557 -7.198 1.824 1.00 0.00 H new ATOM 341 N ASP A 22 64.884 -4.677 9.274 1.00 0.00 N ATOM 342 CA ASP A 22 65.692 -3.795 10.136 1.00 0.00 C ATOM 343 C ASP A 22 65.924 -2.440 9.475 1.00 0.00 C ATOM 344 O ASP A 22 66.513 -1.541 10.075 1.00 0.00 O ATOM 345 CB ASP A 22 67.035 -4.449 10.465 1.00 0.00 C ATOM 346 CG ASP A 22 66.813 -5.593 11.445 1.00 0.00 C ATOM 347 OD1 ASP A 22 65.949 -6.414 11.180 1.00 0.00 O ATOM 348 OD2 ASP A 22 67.497 -5.628 12.453 1.00 0.00 O ATOM 0 H ASP A 22 65.378 -5.047 8.462 1.00 0.00 H new ATOM 0 HA ASP A 22 65.137 -3.637 11.061 1.00 0.00 H new ATOM 0 HB2 ASP A 22 67.504 -4.821 9.554 1.00 0.00 H new ATOM 0 HB3 ASP A 22 67.715 -3.713 10.895 1.00 0.00 H new ATOM 353 N VAL A 23 65.451 -2.295 8.239 1.00 0.00 N ATOM 354 CA VAL A 23 65.605 -1.041 7.501 1.00 0.00 C ATOM 355 C VAL A 23 64.290 -0.691 6.804 1.00 0.00 C ATOM 356 O VAL A 23 63.437 -1.556 6.609 1.00 0.00 O ATOM 357 CB VAL A 23 66.744 -1.179 6.486 1.00 0.00 C ATOM 358 CG1 VAL A 23 68.049 -1.475 7.234 1.00 0.00 C ATOM 359 CG2 VAL A 23 66.455 -2.338 5.530 1.00 0.00 C ATOM 0 H VAL A 23 64.959 -3.028 7.728 1.00 0.00 H new ATOM 0 HA VAL A 23 65.854 -0.234 8.191 1.00 0.00 H new ATOM 0 HB VAL A 23 66.831 -0.252 5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 23 68.864 -1.575 6.518 1.00 0.00 H new ATOM 0 HG12 VAL A 23 68.268 -0.658 7.921 1.00 0.00 H new ATOM 0 HG13 VAL A 23 67.944 -2.403 7.796 1.00 0.00 H new ATOM 0 HG21 VAL A 23 67.270 -2.429 4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 23 66.366 -3.264 6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 23 65.523 -2.148 4.999 1.00 0.00 H new ATOM 369 N LYS A 24 64.112 0.584 6.456 1.00 0.00 N ATOM 370 CA LYS A 24 62.870 1.025 5.809 1.00 0.00 C ATOM 371 C LYS A 24 63.132 2.126 4.786 1.00 0.00 C ATOM 372 O LYS A 24 64.178 2.775 4.805 1.00 0.00 O ATOM 373 CB LYS A 24 61.889 1.528 6.873 1.00 0.00 C ATOM 374 CG LYS A 24 62.481 2.748 7.586 1.00 0.00 C ATOM 375 CD LYS A 24 61.535 3.192 8.704 1.00 0.00 C ATOM 376 CE LYS A 24 62.132 4.401 9.427 1.00 0.00 C ATOM 377 NZ LYS A 24 61.217 4.831 10.521 1.00 0.00 N ATOM 0 H LYS A 24 64.800 1.322 6.607 1.00 0.00 H new ATOM 0 HA LYS A 24 62.441 0.173 5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 24 60.938 1.792 6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 24 61.683 0.737 7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 24 63.460 2.502 7.999 1.00 0.00 H new ATOM 0 HG3 LYS A 24 62.630 3.561 6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 24 60.560 3.448 8.290 1.00 0.00 H new ATOM 0 HD3 LYS A 24 61.378 2.375 9.408 1.00 0.00 H new ATOM 0 HE2 LYS A 24 63.110 4.146 9.836 1.00 0.00 H new ATOM 0 HE3 LYS A 24 62.284 5.220 8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 61.624 5.653 11.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 60.293 5.090 10.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 61.094 4.051 11.197 1.00 0.00 H new ATOM 391 N GLU A 25 62.168 2.315 3.886 1.00 0.00 N ATOM 392 CA GLU A 25 62.282 3.327 2.838 1.00 0.00 C ATOM 393 C GLU A 25 62.514 4.717 3.429 1.00 0.00 C ATOM 394 O GLU A 25 61.891 5.091 4.422 1.00 0.00 O ATOM 395 CB GLU A 25 60.999 3.339 1.999 1.00 0.00 C ATOM 396 CG GLU A 25 61.122 4.358 0.862 1.00 0.00 C ATOM 397 CD GLU A 25 59.867 4.313 -0.005 1.00 0.00 C ATOM 398 OE1 GLU A 25 59.124 3.353 0.119 1.00 0.00 O ATOM 399 OE2 GLU A 25 59.671 5.232 -0.780 1.00 0.00 O ATOM 0 H GLU A 25 61.300 1.780 3.862 1.00 0.00 H new ATOM 0 HA GLU A 25 63.139 3.075 2.213 1.00 0.00 H new ATOM 0 HB2 GLU A 25 60.814 2.346 1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 25 60.145 3.588 2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 25 61.258 5.359 1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 25 62.002 4.139 0.257 1.00 0.00 H new ATOM 406 N GLY A 26 63.390 5.491 2.785 1.00 0.00 N ATOM 407 CA GLY A 26 63.670 6.857 3.232 1.00 0.00 C ATOM 408 C GLY A 26 64.860 6.939 4.188 1.00 0.00 C ATOM 409 O GLY A 26 65.110 7.997 4.769 1.00 0.00 O ATOM 0 H GLY A 26 63.913 5.199 1.960 1.00 0.00 H new ATOM 0 HA2 GLY A 26 63.865 7.485 2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 26 62.786 7.261 3.725 1.00 0.00 H new ATOM 413 N ASP A 27 65.586 5.832 4.367 1.00 0.00 N ATOM 414 CA ASP A 27 66.740 5.814 5.280 1.00 0.00 C ATOM 415 C ASP A 27 67.997 5.269 4.598 1.00 0.00 C ATOM 416 O ASP A 27 67.921 4.509 3.633 1.00 0.00 O ATOM 417 CB ASP A 27 66.413 4.958 6.500 1.00 0.00 C ATOM 418 CG ASP A 27 67.604 4.934 7.454 1.00 0.00 C ATOM 419 OD1 ASP A 27 68.032 6.001 7.861 1.00 0.00 O ATOM 420 OD2 ASP A 27 68.064 3.850 7.766 1.00 0.00 O ATOM 0 H ASP A 27 65.401 4.945 3.899 1.00 0.00 H new ATOM 0 HA ASP A 27 66.941 6.842 5.583 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.536 5.357 7.010 1.00 0.00 H new ATOM 0 HB3 ASP A 27 66.166 3.943 6.187 1.00 0.00 H new ATOM 425 N MET A 28 69.153 5.679 5.122 1.00 0.00 N ATOM 426 CA MET A 28 70.452 5.254 4.588 1.00 0.00 C ATOM 427 C MET A 28 70.920 3.957 5.251 1.00 0.00 C ATOM 428 O MET A 28 70.532 3.657 6.380 1.00 0.00 O ATOM 429 CB MET A 28 71.487 6.363 4.827 1.00 0.00 C ATOM 430 CG MET A 28 71.108 7.590 3.997 1.00 0.00 C ATOM 431 SD MET A 28 72.248 8.950 4.358 1.00 0.00 S ATOM 432 CE MET A 28 73.750 8.189 3.697 1.00 0.00 C ATOM 0 H MET A 28 69.218 6.309 5.921 1.00 0.00 H new ATOM 0 HA MET A 28 70.346 5.070 3.519 1.00 0.00 H new ATOM 0 HB2 MET A 28 71.523 6.622 5.885 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.482 6.015 4.550 1.00 0.00 H new ATOM 0 HG2 MET A 28 71.142 7.347 2.935 1.00 0.00 H new ATOM 0 HG3 MET A 28 70.085 7.891 4.222 1.00 0.00 H new ATOM 0 HE1 MET A 28 74.456 8.968 3.408 1.00 0.00 H new ATOM 0 HE2 MET A 28 74.202 7.554 4.459 1.00 0.00 H new ATOM 0 HE3 MET A 28 73.499 7.586 2.825 1.00 0.00 H new ATOM 442 N VAL A 29 71.765 3.187 4.550 1.00 0.00 N ATOM 443 CA VAL A 29 72.282 1.922 5.101 1.00 0.00 C ATOM 444 C VAL A 29 73.788 1.807 4.864 1.00 0.00 C ATOM 445 O VAL A 29 74.323 2.359 3.901 1.00 0.00 O ATOM 446 CB VAL A 29 71.558 0.717 4.475 1.00 0.00 C ATOM 447 CG1 VAL A 29 71.613 0.793 2.944 1.00 0.00 C ATOM 448 CG2 VAL A 29 72.223 -0.581 4.945 1.00 0.00 C ATOM 0 H VAL A 29 72.102 3.412 3.614 1.00 0.00 H new ATOM 0 HA VAL A 29 72.094 1.922 6.175 1.00 0.00 H new ATOM 0 HB VAL A 29 70.515 0.733 4.791 1.00 0.00 H new ATOM 0 HG11 VAL A 29 71.096 -0.067 2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 29 71.129 1.710 2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 29 72.653 0.790 2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 29 71.710 -1.434 4.501 1.00 0.00 H new ATOM 0 HG22 VAL A 29 73.269 -0.586 4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 29 72.164 -0.647 6.031 1.00 0.00 H new ATOM 458 N GLU A 30 74.468 1.095 5.766 1.00 0.00 N ATOM 459 CA GLU A 30 75.923 0.910 5.678 1.00 0.00 C ATOM 460 C GLU A 30 76.276 -0.543 5.358 1.00 0.00 C ATOM 461 O GLU A 30 75.469 -1.449 5.562 1.00 0.00 O ATOM 462 CB GLU A 30 76.567 1.306 7.011 1.00 0.00 C ATOM 463 CG GLU A 30 76.433 2.818 7.208 1.00 0.00 C ATOM 464 CD GLU A 30 77.028 3.232 8.552 1.00 0.00 C ATOM 465 OE1 GLU A 30 77.606 2.383 9.211 1.00 0.00 O ATOM 466 OE2 GLU A 30 76.892 4.392 8.899 1.00 0.00 O ATOM 0 H GLU A 30 74.036 0.636 6.568 1.00 0.00 H new ATOM 0 HA GLU A 30 76.301 1.541 4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 30 76.085 0.776 7.833 1.00 0.00 H new ATOM 0 HB3 GLU A 30 77.618 1.018 7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 30 76.942 3.343 6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 30 75.383 3.106 7.163 1.00 0.00 H new ATOM 473 N LYS A 31 77.490 -0.752 4.847 1.00 0.00 N ATOM 474 CA LYS A 31 77.942 -2.096 4.495 1.00 0.00 C ATOM 475 C LYS A 31 78.210 -2.927 5.743 1.00 0.00 C ATOM 476 O LYS A 31 79.339 -2.991 6.230 1.00 0.00 O ATOM 477 CB LYS A 31 79.225 -2.024 3.663 1.00 0.00 C ATOM 478 CG LYS A 31 79.569 -3.418 3.139 1.00 0.00 C ATOM 479 CD LYS A 31 80.812 -3.341 2.248 1.00 0.00 C ATOM 480 CE LYS A 31 81.136 -4.733 1.704 1.00 0.00 C ATOM 481 NZ LYS A 31 82.350 -4.658 0.845 1.00 0.00 N ATOM 0 H LYS A 31 78.172 -0.014 4.669 1.00 0.00 H new ATOM 0 HA LYS A 31 77.150 -2.569 3.914 1.00 0.00 H new ATOM 0 HB2 LYS A 31 79.093 -1.333 2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 31 80.044 -1.639 4.270 1.00 0.00 H new ATOM 0 HG2 LYS A 31 79.749 -4.097 3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 31 78.729 -3.822 2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 31 80.640 -2.648 1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 31 81.658 -2.956 2.818 1.00 0.00 H new ATOM 0 HE2 LYS A 31 81.302 -5.428 2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 31 80.293 -5.116 1.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 82.572 -5.604 0.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 82.175 -4.008 0.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 83.152 -4.310 1.408 1.00 0.00 H new ATOM 495 N ASP A 32 77.170 -3.585 6.235 1.00 0.00 N ATOM 496 CA ASP A 32 77.301 -4.441 7.411 1.00 0.00 C ATOM 497 C ASP A 32 76.000 -5.181 7.684 1.00 0.00 C ATOM 498 O ASP A 32 74.927 -4.776 7.236 1.00 0.00 O ATOM 499 CB ASP A 32 77.691 -3.632 8.660 1.00 0.00 C ATOM 500 CG ASP A 32 78.016 -4.595 9.798 1.00 0.00 C ATOM 501 OD1 ASP A 32 78.443 -5.698 9.508 1.00 0.00 O ATOM 502 OD2 ASP A 32 77.820 -4.216 10.942 1.00 0.00 O ATOM 0 H ASP A 32 76.229 -3.545 5.842 1.00 0.00 H new ATOM 0 HA ASP A 32 78.094 -5.158 7.198 1.00 0.00 H new ATOM 0 HB2 ASP A 32 78.553 -3.000 8.445 1.00 0.00 H new ATOM 0 HB3 ASP A 32 76.875 -2.970 8.949 1.00 0.00 H new ATOM 507 N GLN A 33 76.109 -6.267 8.434 1.00 0.00 N ATOM 508 CA GLN A 33 74.948 -7.069 8.781 1.00 0.00 C ATOM 509 C GLN A 33 73.787 -6.174 9.211 1.00 0.00 C ATOM 510 O GLN A 33 73.695 -5.780 10.375 1.00 0.00 O ATOM 511 CB GLN A 33 75.308 -8.022 9.924 1.00 0.00 C ATOM 512 CG GLN A 33 74.099 -8.899 10.262 1.00 0.00 C ATOM 513 CD GLN A 33 74.486 -9.958 11.288 1.00 0.00 C ATOM 514 OE1 GLN A 33 75.670 -10.217 11.504 1.00 0.00 O ATOM 515 NE2 GLN A 33 73.544 -10.592 11.932 1.00 0.00 N ATOM 0 H GLN A 33 76.990 -6.613 8.814 1.00 0.00 H new ATOM 0 HA GLN A 33 74.644 -7.641 7.905 1.00 0.00 H new ATOM 0 HB2 GLN A 33 76.154 -8.646 9.637 1.00 0.00 H new ATOM 0 HB3 GLN A 33 75.614 -7.453 10.802 1.00 0.00 H new ATOM 0 HG2 GLN A 33 73.291 -8.281 10.654 1.00 0.00 H new ATOM 0 HG3 GLN A 33 73.724 -9.378 9.358 1.00 0.00 H new ATOM 0 HE21 GLN A 33 72.565 -10.373 11.749 1.00 0.00 H new ATOM 0 HE22 GLN A 33 73.787 -11.306 12.618 1.00 0.00 H new ATOM 524 N ASP A 34 72.893 -5.861 8.271 1.00 0.00 N ATOM 525 CA ASP A 34 71.743 -5.024 8.576 1.00 0.00 C ATOM 526 C ASP A 34 70.757 -5.819 9.413 1.00 0.00 C ATOM 527 O ASP A 34 69.728 -5.311 9.850 1.00 0.00 O ATOM 528 CB ASP A 34 71.069 -4.565 7.282 1.00 0.00 C ATOM 529 CG ASP A 34 72.036 -3.706 6.473 1.00 0.00 C ATOM 530 OD1 ASP A 34 72.860 -3.046 7.084 1.00 0.00 O ATOM 531 OD2 ASP A 34 71.948 -3.732 5.257 1.00 0.00 O ATOM 0 H ASP A 34 72.946 -6.174 7.302 1.00 0.00 H new ATOM 0 HA ASP A 34 72.072 -4.145 9.131 1.00 0.00 H new ATOM 0 HB2 ASP A 34 70.759 -5.430 6.696 1.00 0.00 H new ATOM 0 HB3 ASP A 34 70.168 -3.996 7.512 1.00 0.00 H new ATOM 536 N LEU A 35 71.097 -7.081 9.617 1.00 0.00 N ATOM 537 CA LEU A 35 70.270 -7.994 10.387 1.00 0.00 C ATOM 538 C LEU A 35 68.899 -8.148 9.733 1.00 0.00 C ATOM 539 O LEU A 35 67.914 -7.550 10.154 1.00 0.00 O ATOM 540 CB LEU A 35 70.125 -7.486 11.822 1.00 0.00 C ATOM 541 CG LEU A 35 69.407 -8.539 12.673 1.00 0.00 C ATOM 542 CD1 LEU A 35 70.269 -9.817 12.795 1.00 0.00 C ATOM 543 CD2 LEU A 35 69.132 -7.962 14.067 1.00 0.00 C ATOM 0 H LEU A 35 71.953 -7.501 9.254 1.00 0.00 H new ATOM 0 HA LEU A 35 70.752 -8.972 10.410 1.00 0.00 H new ATOM 0 HB2 LEU A 35 71.107 -7.272 12.243 1.00 0.00 H new ATOM 0 HB3 LEU A 35 69.564 -6.552 11.832 1.00 0.00 H new ATOM 0 HG LEU A 35 68.465 -8.803 12.192 1.00 0.00 H new ATOM 0 HD11 LEU A 35 69.743 -10.554 13.403 1.00 0.00 H new ATOM 0 HD12 LEU A 35 70.452 -10.229 11.802 1.00 0.00 H new ATOM 0 HD13 LEU A 35 71.221 -9.570 13.266 1.00 0.00 H new ATOM 0 HD21 LEU A 35 68.621 -8.708 14.675 1.00 0.00 H new ATOM 0 HD22 LEU A 35 70.075 -7.691 14.541 1.00 0.00 H new ATOM 0 HD23 LEU A 35 68.504 -7.076 13.977 1.00 0.00 H new ATOM 555 N VAL A 36 68.861 -8.987 8.711 1.00 0.00 N ATOM 556 CA VAL A 36 67.634 -9.290 7.968 1.00 0.00 C ATOM 557 C VAL A 36 67.350 -10.784 8.102 1.00 0.00 C ATOM 558 O VAL A 36 68.237 -11.611 7.887 1.00 0.00 O ATOM 559 CB VAL A 36 67.801 -8.885 6.475 1.00 0.00 C ATOM 560 CG1 VAL A 36 69.284 -8.929 6.098 1.00 0.00 C ATOM 561 CG2 VAL A 36 67.038 -9.854 5.554 1.00 0.00 C ATOM 0 H VAL A 36 69.682 -9.484 8.366 1.00 0.00 H new ATOM 0 HA VAL A 36 66.795 -8.724 8.372 1.00 0.00 H new ATOM 0 HB VAL A 36 67.400 -7.879 6.349 1.00 0.00 H new ATOM 0 HG11 VAL A 36 69.402 -8.645 5.052 1.00 0.00 H new ATOM 0 HG12 VAL A 36 69.840 -8.234 6.727 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.667 -9.939 6.246 1.00 0.00 H new ATOM 0 HG21 VAL A 36 67.170 -9.549 4.516 1.00 0.00 H new ATOM 0 HG22 VAL A 36 67.425 -10.864 5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 36 65.977 -9.836 5.805 1.00 0.00 H new ATOM 571 N GLU A 37 66.109 -11.128 8.437 1.00 0.00 N ATOM 572 CA GLU A 37 65.720 -12.532 8.576 1.00 0.00 C ATOM 573 C GLU A 37 64.763 -12.897 7.452 1.00 0.00 C ATOM 574 O GLU A 37 63.718 -12.266 7.291 1.00 0.00 O ATOM 575 CB GLU A 37 65.039 -12.756 9.929 1.00 0.00 C ATOM 576 CG GLU A 37 66.067 -12.575 11.050 1.00 0.00 C ATOM 577 CD GLU A 37 65.395 -12.716 12.412 1.00 0.00 C ATOM 578 OE1 GLU A 37 64.209 -13.000 12.440 1.00 0.00 O ATOM 579 OE2 GLU A 37 66.078 -12.535 13.407 1.00 0.00 O ATOM 0 H GLU A 37 65.359 -10.460 8.617 1.00 0.00 H new ATOM 0 HA GLU A 37 66.608 -13.162 8.522 1.00 0.00 H new ATOM 0 HB2 GLU A 37 64.217 -12.051 10.056 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.610 -13.757 9.972 1.00 0.00 H new ATOM 0 HG2 GLU A 37 66.859 -13.317 10.949 1.00 0.00 H new ATOM 0 HG3 GLU A 37 66.536 -11.594 10.968 1.00 0.00 H new ATOM 586 N VAL A 38 65.135 -13.898 6.659 1.00 0.00 N ATOM 587 CA VAL A 38 64.314 -14.323 5.529 1.00 0.00 C ATOM 588 C VAL A 38 64.114 -15.836 5.545 1.00 0.00 C ATOM 589 O VAL A 38 65.054 -16.596 5.798 1.00 0.00 O ATOM 590 CB VAL A 38 65.009 -13.908 4.226 1.00 0.00 C ATOM 591 CG1 VAL A 38 64.849 -12.399 4.007 1.00 0.00 C ATOM 592 CG2 VAL A 38 66.501 -14.245 4.318 1.00 0.00 C ATOM 0 H VAL A 38 65.998 -14.429 6.777 1.00 0.00 H new ATOM 0 HA VAL A 38 63.336 -13.848 5.601 1.00 0.00 H new ATOM 0 HB VAL A 38 64.556 -14.445 3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 38 65.345 -12.111 3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 38 63.790 -12.151 3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.299 -11.861 4.841 1.00 0.00 H new ATOM 0 HG21 VAL A 38 66.998 -13.951 3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 38 66.945 -13.706 5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 38 66.623 -15.317 4.471 1.00 0.00 H new ATOM 602 N MET A 39 62.886 -16.267 5.251 1.00 0.00 N ATOM 603 CA MET A 39 62.562 -17.692 5.203 1.00 0.00 C ATOM 604 C MET A 39 62.464 -18.123 3.749 1.00 0.00 C ATOM 605 O MET A 39 61.527 -17.746 3.045 1.00 0.00 O ATOM 606 CB MET A 39 61.226 -17.952 5.903 1.00 0.00 C ATOM 607 CG MET A 39 60.888 -19.446 5.860 1.00 0.00 C ATOM 608 SD MET A 39 59.324 -19.725 6.734 1.00 0.00 S ATOM 609 CE MET A 39 58.206 -19.423 5.342 1.00 0.00 C ATOM 0 H MET A 39 62.101 -15.650 5.043 1.00 0.00 H new ATOM 0 HA MET A 39 63.342 -18.260 5.711 1.00 0.00 H new ATOM 0 HB2 MET A 39 61.277 -17.613 6.938 1.00 0.00 H new ATOM 0 HB3 MET A 39 60.436 -17.379 5.418 1.00 0.00 H new ATOM 0 HG2 MET A 39 60.807 -19.784 4.827 1.00 0.00 H new ATOM 0 HG3 MET A 39 61.686 -20.026 6.323 1.00 0.00 H new ATOM 0 HE1 MET A 39 57.346 -18.847 5.684 1.00 0.00 H new ATOM 0 HE2 MET A 39 58.732 -18.865 4.567 1.00 0.00 H new ATOM 0 HE3 MET A 39 57.866 -20.375 4.935 1.00 0.00 H new ATOM 619 N THR A 40 63.434 -18.898 3.292 1.00 0.00 N ATOM 620 CA THR A 40 63.426 -19.342 1.907 1.00 0.00 C ATOM 621 C THR A 40 62.263 -20.300 1.648 1.00 0.00 C ATOM 622 O THR A 40 61.553 -20.168 0.651 1.00 0.00 O ATOM 623 CB THR A 40 64.763 -20.019 1.537 1.00 0.00 C ATOM 624 OG1 THR A 40 64.514 -21.150 0.713 1.00 0.00 O ATOM 625 CG2 THR A 40 65.492 -20.476 2.804 1.00 0.00 C ATOM 0 H THR A 40 64.223 -19.228 3.847 1.00 0.00 H new ATOM 0 HA THR A 40 63.297 -18.461 1.278 1.00 0.00 H new ATOM 0 HB THR A 40 65.383 -19.300 1.002 1.00 0.00 H new ATOM 0 HG1 THR A 40 65.364 -21.577 0.478 1.00 0.00 H new ATOM 0 HG21 THR A 40 66.434 -20.952 2.530 1.00 0.00 H new ATOM 0 HG22 THR A 40 65.693 -19.613 3.439 1.00 0.00 H new ATOM 0 HG23 THR A 40 64.869 -21.188 3.345 1.00 0.00 H new ATOM 633 N ASP A 41 62.072 -21.270 2.545 1.00 0.00 N ATOM 634 CA ASP A 41 60.983 -22.251 2.382 1.00 0.00 C ATOM 635 C ASP A 41 60.310 -22.554 3.718 1.00 0.00 C ATOM 636 O ASP A 41 59.127 -22.266 3.904 1.00 0.00 O ATOM 637 CB ASP A 41 61.545 -23.548 1.790 1.00 0.00 C ATOM 638 CG ASP A 41 62.694 -24.064 2.648 1.00 0.00 C ATOM 639 OD1 ASP A 41 63.417 -23.246 3.192 1.00 0.00 O ATOM 640 OD2 ASP A 41 62.837 -25.272 2.747 1.00 0.00 O ATOM 0 H ASP A 41 62.643 -21.401 3.380 1.00 0.00 H new ATOM 0 HA ASP A 41 60.238 -21.825 1.710 1.00 0.00 H new ATOM 0 HB2 ASP A 41 60.759 -24.300 1.732 1.00 0.00 H new ATOM 0 HB3 ASP A 41 61.893 -23.371 0.772 1.00 0.00 H new ATOM 645 N LYS A 42 61.066 -23.135 4.649 1.00 0.00 N ATOM 646 CA LYS A 42 60.521 -23.470 5.978 1.00 0.00 C ATOM 647 C LYS A 42 61.620 -23.433 7.034 1.00 0.00 C ATOM 648 O LYS A 42 61.707 -24.316 7.888 1.00 0.00 O ATOM 649 CB LYS A 42 59.852 -24.863 5.991 1.00 0.00 C ATOM 650 CG LYS A 42 58.602 -24.858 5.106 1.00 0.00 C ATOM 651 CD LYS A 42 57.928 -26.228 5.181 1.00 0.00 C ATOM 652 CE LYS A 42 56.637 -26.209 4.359 1.00 0.00 C ATOM 653 NZ LYS A 42 56.968 -25.964 2.926 1.00 0.00 N ATOM 0 H LYS A 42 62.046 -23.384 4.517 1.00 0.00 H new ATOM 0 HA LYS A 42 59.763 -22.721 6.208 1.00 0.00 H new ATOM 0 HB2 LYS A 42 60.555 -25.616 5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 42 59.583 -25.136 7.011 1.00 0.00 H new ATOM 0 HG2 LYS A 42 57.912 -24.081 5.435 1.00 0.00 H new ATOM 0 HG3 LYS A 42 58.872 -24.628 4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 42 58.601 -26.997 4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 42 57.707 -26.480 6.218 1.00 0.00 H new ATOM 0 HE2 LYS A 42 56.111 -27.158 4.465 1.00 0.00 H new ATOM 0 HE3 LYS A 42 55.969 -25.431 4.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 56.164 -26.247 2.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 57.166 -24.953 2.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 57.806 -26.521 2.663 1.00 0.00 H new ATOM 667 N VAL A 43 62.439 -22.389 6.989 1.00 0.00 N ATOM 668 CA VAL A 43 63.516 -22.223 7.962 1.00 0.00 C ATOM 669 C VAL A 43 63.947 -20.766 8.029 1.00 0.00 C ATOM 670 O VAL A 43 63.933 -20.061 7.026 1.00 0.00 O ATOM 671 CB VAL A 43 64.715 -23.112 7.611 1.00 0.00 C ATOM 672 CG1 VAL A 43 65.257 -22.782 6.214 1.00 0.00 C ATOM 673 CG2 VAL A 43 65.825 -22.886 8.641 1.00 0.00 C ATOM 0 H VAL A 43 62.380 -21.646 6.292 1.00 0.00 H new ATOM 0 HA VAL A 43 63.139 -22.527 8.939 1.00 0.00 H new ATOM 0 HB VAL A 43 64.388 -24.152 7.621 1.00 0.00 H new ATOM 0 HG11 VAL A 43 66.107 -23.427 5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 43 64.475 -22.944 5.473 1.00 0.00 H new ATOM 0 HG13 VAL A 43 65.575 -21.740 6.184 1.00 0.00 H new ATOM 0 HG21 VAL A 43 66.681 -23.515 8.397 1.00 0.00 H new ATOM 0 HG22 VAL A 43 66.128 -21.839 8.625 1.00 0.00 H new ATOM 0 HG23 VAL A 43 65.457 -23.142 9.634 1.00 0.00 H new ATOM 683 N THR A 44 64.336 -20.327 9.221 1.00 0.00 N ATOM 684 CA THR A 44 64.775 -18.942 9.418 1.00 0.00 C ATOM 685 C THR A 44 66.296 -18.864 9.408 1.00 0.00 C ATOM 686 O THR A 44 66.965 -19.502 10.223 1.00 0.00 O ATOM 687 CB THR A 44 64.248 -18.417 10.762 1.00 0.00 C ATOM 688 OG1 THR A 44 62.898 -18.824 10.928 1.00 0.00 O ATOM 689 CG2 THR A 44 64.319 -16.886 10.802 1.00 0.00 C ATOM 0 H THR A 44 64.358 -20.902 10.063 1.00 0.00 H new ATOM 0 HA THR A 44 64.381 -18.331 8.606 1.00 0.00 H new ATOM 0 HB THR A 44 64.864 -18.823 11.565 1.00 0.00 H new ATOM 0 HG1 THR A 44 62.559 -18.492 11.786 1.00 0.00 H new ATOM 0 HG21 THR A 44 63.942 -16.529 11.761 1.00 0.00 H new ATOM 0 HG22 THR A 44 65.354 -16.566 10.677 1.00 0.00 H new ATOM 0 HG23 THR A 44 63.712 -16.472 9.997 1.00 0.00 H new ATOM 697 N VAL A 45 66.842 -18.079 8.481 1.00 0.00 N ATOM 698 CA VAL A 45 68.297 -17.921 8.371 1.00 0.00 C ATOM 699 C VAL A 45 68.672 -16.444 8.305 1.00 0.00 C ATOM 700 O VAL A 45 67.862 -15.603 7.913 1.00 0.00 O ATOM 701 CB VAL A 45 68.799 -18.627 7.110 1.00 0.00 C ATOM 702 CG1 VAL A 45 68.532 -20.130 7.216 1.00 0.00 C ATOM 703 CG2 VAL A 45 68.058 -18.068 5.894 1.00 0.00 C ATOM 0 H VAL A 45 66.306 -17.544 7.798 1.00 0.00 H new ATOM 0 HA VAL A 45 68.761 -18.365 9.252 1.00 0.00 H new ATOM 0 HB VAL A 45 69.871 -18.458 7.003 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.891 -20.628 6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 45 69.053 -20.532 8.085 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.461 -20.303 7.323 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.411 -18.567 4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 45 66.988 -18.241 6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.246 -16.997 5.814 1.00 0.00 H new ATOM 713 N LYS A 46 69.912 -16.138 8.685 1.00 0.00 N ATOM 714 CA LYS A 46 70.409 -14.760 8.668 1.00 0.00 C ATOM 715 C LYS A 46 71.479 -14.607 7.591 1.00 0.00 C ATOM 716 O LYS A 46 72.360 -15.455 7.457 1.00 0.00 O ATOM 717 CB LYS A 46 71.010 -14.419 10.034 1.00 0.00 C ATOM 718 CG LYS A 46 69.901 -14.397 11.089 1.00 0.00 C ATOM 719 CD LYS A 46 70.511 -14.088 12.456 1.00 0.00 C ATOM 720 CE LYS A 46 69.414 -14.087 13.524 1.00 0.00 C ATOM 721 NZ LYS A 46 70.017 -13.768 14.849 1.00 0.00 N ATOM 0 H LYS A 46 70.592 -16.825 9.009 1.00 0.00 H new ATOM 0 HA LYS A 46 69.582 -14.083 8.451 1.00 0.00 H new ATOM 0 HB2 LYS A 46 71.768 -15.154 10.303 1.00 0.00 H new ATOM 0 HB3 LYS A 46 71.507 -13.450 9.993 1.00 0.00 H new ATOM 0 HG2 LYS A 46 69.154 -13.645 10.833 1.00 0.00 H new ATOM 0 HG3 LYS A 46 69.389 -15.359 11.115 1.00 0.00 H new ATOM 0 HD2 LYS A 46 71.270 -14.830 12.702 1.00 0.00 H new ATOM 0 HD3 LYS A 46 71.009 -13.119 12.432 1.00 0.00 H new ATOM 0 HE2 LYS A 46 68.648 -13.353 13.274 1.00 0.00 H new ATOM 0 HE3 LYS A 46 68.924 -15.060 13.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 69.274 -13.766 15.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 70.733 -14.484 15.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 70.465 -12.830 14.810 1.00 0.00 H new ATOM 735 N ILE A 47 71.393 -13.520 6.824 1.00 0.00 N ATOM 736 CA ILE A 47 72.357 -13.256 5.747 1.00 0.00 C ATOM 737 C ILE A 47 72.966 -11.849 5.888 1.00 0.00 C ATOM 738 O ILE A 47 72.260 -10.859 5.696 1.00 0.00 O ATOM 739 CB ILE A 47 71.638 -13.351 4.398 1.00 0.00 C ATOM 740 CG1 ILE A 47 71.079 -14.766 4.222 1.00 0.00 C ATOM 741 CG2 ILE A 47 72.628 -13.054 3.267 1.00 0.00 C ATOM 742 CD1 ILE A 47 70.176 -14.817 2.988 1.00 0.00 C ATOM 0 H ILE A 47 70.670 -12.808 6.925 1.00 0.00 H new ATOM 0 HA ILE A 47 73.158 -13.993 5.809 1.00 0.00 H new ATOM 0 HB ILE A 47 70.824 -12.627 4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.896 -15.479 4.115 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.516 -15.057 5.108 1.00 0.00 H new ATOM 0 HG21 ILE A 47 72.115 -13.122 2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 47 73.033 -12.050 3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 47 73.441 -13.779 3.296 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.781 -15.826 2.868 1.00 0.00 H new ATOM 0 HD12 ILE A 47 69.350 -14.116 3.112 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.752 -14.545 2.104 1.00 0.00 H new ATOM 754 N PRO A 48 74.250 -11.713 6.186 1.00 0.00 N ATOM 755 CA PRO A 48 74.883 -10.363 6.300 1.00 0.00 C ATOM 756 C PRO A 48 74.673 -9.549 5.018 1.00 0.00 C ATOM 757 O PRO A 48 74.525 -10.121 3.939 1.00 0.00 O ATOM 758 CB PRO A 48 76.380 -10.658 6.538 1.00 0.00 C ATOM 759 CG PRO A 48 76.437 -12.070 7.034 1.00 0.00 C ATOM 760 CD PRO A 48 75.217 -12.796 6.454 1.00 0.00 C ATOM 0 HA PRO A 48 74.450 -9.767 7.103 1.00 0.00 H new ATOM 0 HB2 PRO A 48 76.954 -10.542 5.618 1.00 0.00 H new ATOM 0 HB3 PRO A 48 76.804 -9.969 7.268 1.00 0.00 H new ATOM 0 HG2 PRO A 48 77.361 -12.554 6.717 1.00 0.00 H new ATOM 0 HG3 PRO A 48 76.421 -12.097 8.124 1.00 0.00 H new ATOM 0 HD2 PRO A 48 75.471 -13.338 5.543 1.00 0.00 H new ATOM 0 HD3 PRO A 48 74.815 -13.525 7.157 1.00 0.00 H new ATOM 768 N SER A 49 74.624 -8.217 5.147 1.00 0.00 N ATOM 769 CA SER A 49 74.400 -7.333 3.998 1.00 0.00 C ATOM 770 C SER A 49 75.702 -6.635 3.550 1.00 0.00 C ATOM 771 O SER A 49 76.079 -5.612 4.122 1.00 0.00 O ATOM 772 CB SER A 49 73.375 -6.269 4.399 1.00 0.00 C ATOM 773 OG SER A 49 72.072 -6.839 4.377 1.00 0.00 O ATOM 0 H SER A 49 74.737 -7.729 6.035 1.00 0.00 H new ATOM 0 HA SER A 49 74.039 -7.935 3.164 1.00 0.00 H new ATOM 0 HB2 SER A 49 73.601 -5.887 5.395 1.00 0.00 H new ATOM 0 HB3 SER A 49 73.426 -5.423 3.714 1.00 0.00 H new ATOM 0 HG SER A 49 71.414 -6.161 4.637 1.00 0.00 H new ATOM 779 N PRO A 50 76.387 -7.141 2.539 1.00 0.00 N ATOM 780 CA PRO A 50 77.645 -6.517 2.023 1.00 0.00 C ATOM 781 C PRO A 50 77.352 -5.462 0.950 1.00 0.00 C ATOM 782 O PRO A 50 78.018 -5.419 -0.084 1.00 0.00 O ATOM 783 CB PRO A 50 78.363 -7.713 1.409 1.00 0.00 C ATOM 784 CG PRO A 50 77.258 -8.527 0.822 1.00 0.00 C ATOM 785 CD PRO A 50 76.055 -8.352 1.767 1.00 0.00 C ATOM 0 HA PRO A 50 78.214 -5.996 2.792 1.00 0.00 H new ATOM 0 HB2 PRO A 50 79.079 -7.403 0.648 1.00 0.00 H new ATOM 0 HB3 PRO A 50 78.919 -8.275 2.160 1.00 0.00 H new ATOM 0 HG2 PRO A 50 77.016 -8.188 -0.185 1.00 0.00 H new ATOM 0 HG3 PRO A 50 77.544 -9.576 0.745 1.00 0.00 H new ATOM 0 HD2 PRO A 50 75.125 -8.230 1.212 1.00 0.00 H new ATOM 0 HD3 PRO A 50 75.927 -9.218 2.417 1.00 0.00 H new ATOM 793 N VAL A 51 76.321 -4.642 1.176 1.00 0.00 N ATOM 794 CA VAL A 51 75.914 -3.630 0.196 1.00 0.00 C ATOM 795 C VAL A 51 75.766 -2.249 0.843 1.00 0.00 C ATOM 796 O VAL A 51 75.552 -2.138 2.049 1.00 0.00 O ATOM 797 CB VAL A 51 74.567 -4.072 -0.373 1.00 0.00 C ATOM 798 CG1 VAL A 51 74.710 -5.485 -0.938 1.00 0.00 C ATOM 799 CG2 VAL A 51 73.540 -4.085 0.761 1.00 0.00 C ATOM 0 H VAL A 51 75.755 -4.659 2.025 1.00 0.00 H new ATOM 0 HA VAL A 51 76.673 -3.545 -0.582 1.00 0.00 H new ATOM 0 HB VAL A 51 74.245 -3.391 -1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 51 73.754 -5.812 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 51 75.462 -5.487 -1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 51 75.016 -6.165 -0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 51 72.572 -4.399 0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 51 73.862 -4.781 1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 51 73.454 -3.085 1.185 1.00 0.00 H new ATOM 809 N ARG A 52 75.881 -1.196 0.025 1.00 0.00 N ATOM 810 CA ARG A 52 75.757 0.177 0.519 1.00 0.00 C ATOM 811 C ARG A 52 75.223 1.094 -0.580 1.00 0.00 C ATOM 812 O ARG A 52 75.485 0.875 -1.762 1.00 0.00 O ATOM 813 CB ARG A 52 77.117 0.678 1.030 1.00 0.00 C ATOM 814 CG ARG A 52 78.125 0.848 -0.123 1.00 0.00 C ATOM 815 CD ARG A 52 78.427 -0.510 -0.770 1.00 0.00 C ATOM 816 NE ARG A 52 79.716 -0.473 -1.450 1.00 0.00 N ATOM 817 CZ ARG A 52 80.130 -1.500 -2.186 1.00 0.00 C ATOM 818 NH1 ARG A 52 79.400 -2.578 -2.272 1.00 0.00 N ATOM 819 NH2 ARG A 52 81.272 -1.439 -2.815 1.00 0.00 N ATOM 0 H ARG A 52 76.059 -1.269 -0.977 1.00 0.00 H new ATOM 0 HA ARG A 52 75.048 0.190 1.347 1.00 0.00 H new ATOM 0 HB2 ARG A 52 76.986 1.631 1.543 1.00 0.00 H new ATOM 0 HB3 ARG A 52 77.514 -0.026 1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 52 77.722 1.533 -0.869 1.00 0.00 H new ATOM 0 HG3 ARG A 52 79.047 1.292 0.253 1.00 0.00 H new ATOM 0 HD2 ARG A 52 78.433 -1.290 -0.008 1.00 0.00 H new ATOM 0 HD3 ARG A 52 77.641 -0.764 -1.481 1.00 0.00 H new ATOM 0 HE ARG A 52 80.309 0.352 -1.360 1.00 0.00 H new ATOM 0 HH11 ARG A 52 78.511 -2.633 -1.774 1.00 0.00 H new ATOM 0 HH12 ARG A 52 79.718 -3.366 -2.837 1.00 0.00 H new ATOM 0 HH21 ARG A 52 81.850 -0.602 -2.743 1.00 0.00 H new ATOM 0 HH22 ARG A 52 81.587 -2.229 -3.379 1.00 0.00 H new ATOM 833 N GLY A 53 74.465 2.116 -0.181 1.00 0.00 N ATOM 834 CA GLY A 53 73.893 3.055 -1.141 1.00 0.00 C ATOM 835 C GLY A 53 72.663 3.732 -0.551 1.00 0.00 C ATOM 836 O GLY A 53 72.666 4.121 0.617 1.00 0.00 O ATOM 0 H GLY A 53 74.235 2.312 0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.635 3.806 -1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.623 2.530 -2.057 1.00 0.00 H new ATOM 840 N LYS A 54 71.603 3.874 -1.355 1.00 0.00 N ATOM 841 CA LYS A 54 70.372 4.512 -0.881 1.00 0.00 C ATOM 842 C LYS A 54 69.159 3.663 -1.227 1.00 0.00 C ATOM 843 O LYS A 54 69.130 2.990 -2.257 1.00 0.00 O ATOM 844 CB LYS A 54 70.221 5.900 -1.518 1.00 0.00 C ATOM 845 CG LYS A 54 71.339 6.818 -1.013 1.00 0.00 C ATOM 846 CD LYS A 54 71.126 8.244 -1.541 1.00 0.00 C ATOM 847 CE LYS A 54 71.430 8.310 -3.043 1.00 0.00 C ATOM 848 NZ LYS A 54 71.567 9.735 -3.455 1.00 0.00 N ATOM 0 H LYS A 54 71.573 3.560 -2.325 1.00 0.00 H new ATOM 0 HA LYS A 54 70.435 4.612 0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 54 70.264 5.820 -2.604 1.00 0.00 H new ATOM 0 HB3 LYS A 54 69.248 6.323 -1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 54 71.352 6.823 0.077 1.00 0.00 H new ATOM 0 HG3 LYS A 54 72.307 6.440 -1.342 1.00 0.00 H new ATOM 0 HD2 LYS A 54 70.098 8.557 -1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 54 71.771 8.938 -1.002 1.00 0.00 H new ATOM 0 HE2 LYS A 54 72.348 7.766 -3.264 1.00 0.00 H new ATOM 0 HE3 LYS A 54 70.631 7.831 -3.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 71.773 9.784 -4.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 70.680 10.240 -3.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 72.344 10.177 -2.923 1.00 0.00 H new ATOM 862 N ILE A 55 68.145 3.710 -0.364 1.00 0.00 N ATOM 863 CA ILE A 55 66.919 2.948 -0.592 1.00 0.00 C ATOM 864 C ILE A 55 65.878 3.876 -1.214 1.00 0.00 C ATOM 865 O ILE A 55 65.504 4.886 -0.617 1.00 0.00 O ATOM 866 CB ILE A 55 66.404 2.397 0.746 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.589 1.940 1.612 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.472 1.206 0.493 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.464 0.927 0.863 1.00 0.00 C ATOM 0 H ILE A 55 68.148 4.263 0.493 1.00 0.00 H new ATOM 0 HA ILE A 55 67.112 2.112 -1.264 1.00 0.00 H new ATOM 0 HB ILE A 55 65.856 3.183 1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.190 2.804 1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.218 1.493 2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.110 0.819 1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.626 1.529 -0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.017 0.423 -0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.294 0.622 1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 55 67.867 0.053 0.602 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.854 1.385 -0.046 1.00 0.00 H new ATOM 881 N VAL A 56 65.445 3.553 -2.433 1.00 0.00 N ATOM 882 CA VAL A 56 64.482 4.393 -3.148 1.00 0.00 C ATOM 883 C VAL A 56 63.029 3.977 -2.883 1.00 0.00 C ATOM 884 O VAL A 56 62.180 4.832 -2.634 1.00 0.00 O ATOM 885 CB VAL A 56 64.778 4.337 -4.662 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.591 4.890 -5.465 1.00 0.00 C ATOM 887 CG2 VAL A 56 66.024 5.174 -4.978 1.00 0.00 C ATOM 0 H VAL A 56 65.743 2.722 -2.944 1.00 0.00 H new ATOM 0 HA VAL A 56 64.595 5.412 -2.778 1.00 0.00 H new ATOM 0 HB VAL A 56 64.946 3.297 -4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.818 4.842 -6.530 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.702 4.295 -5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.409 5.926 -5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 56 66.229 5.132 -6.048 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.852 6.209 -4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.878 4.777 -4.429 1.00 0.00 H new ATOM 897 N LYS A 57 62.726 2.679 -2.977 1.00 0.00 N ATOM 898 CA LYS A 57 61.345 2.228 -2.780 1.00 0.00 C ATOM 899 C LYS A 57 61.259 0.795 -2.266 1.00 0.00 C ATOM 900 O LYS A 57 62.171 -0.009 -2.460 1.00 0.00 O ATOM 901 CB LYS A 57 60.586 2.340 -4.107 1.00 0.00 C ATOM 902 CG LYS A 57 61.206 1.391 -5.144 1.00 0.00 C ATOM 903 CD LYS A 57 60.497 1.545 -6.497 1.00 0.00 C ATOM 904 CE LYS A 57 59.098 0.920 -6.443 1.00 0.00 C ATOM 905 NZ LYS A 57 58.571 0.758 -7.827 1.00 0.00 N ATOM 0 H LYS A 57 63.398 1.939 -3.183 1.00 0.00 H new ATOM 0 HA LYS A 57 60.898 2.869 -2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 57 59.535 2.093 -3.957 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.623 3.366 -4.472 1.00 0.00 H new ATOM 0 HG2 LYS A 57 62.268 1.607 -5.256 1.00 0.00 H new ATOM 0 HG3 LYS A 57 61.125 0.360 -4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 57 60.420 2.601 -6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 57 61.086 1.066 -7.280 1.00 0.00 H new ATOM 0 HE2 LYS A 57 59.140 -0.048 -5.943 1.00 0.00 H new ATOM 0 HE3 LYS A 57 58.428 1.552 -5.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 57.622 0.334 -7.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 58.517 1.688 -8.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 59.206 0.138 -8.370 1.00 0.00 H new ATOM 919 N ILE A 58 60.129 0.485 -1.625 1.00 0.00 N ATOM 920 CA ILE A 58 59.873 -0.847 -1.091 1.00 0.00 C ATOM 921 C ILE A 58 58.479 -1.302 -1.519 1.00 0.00 C ATOM 922 O ILE A 58 57.495 -0.590 -1.320 1.00 0.00 O ATOM 923 CB ILE A 58 59.978 -0.807 0.434 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.911 -2.221 1.000 1.00 0.00 C ATOM 925 CG2 ILE A 58 58.830 0.021 1.014 1.00 0.00 C ATOM 926 CD1 ILE A 58 60.208 -2.187 2.503 1.00 0.00 C ATOM 0 H ILE A 58 59.372 1.149 -1.464 1.00 0.00 H new ATOM 0 HA ILE A 58 60.608 -1.553 -1.477 1.00 0.00 H new ATOM 0 HB ILE A 58 60.930 -0.352 0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 58 58.924 -2.648 0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.631 -2.862 0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 58 58.911 0.045 2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 58 58.881 1.037 0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.878 -0.429 0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 58 60.160 -3.198 2.906 1.00 0.00 H new ATOM 0 HD12 ILE A 58 61.205 -1.778 2.668 1.00 0.00 H new ATOM 0 HD13 ILE A 58 59.471 -1.561 3.005 1.00 0.00 H new ATOM 938 N LEU A 59 58.407 -2.477 -2.142 1.00 0.00 N ATOM 939 CA LEU A 59 57.136 -3.015 -2.637 1.00 0.00 C ATOM 940 C LEU A 59 56.603 -4.141 -1.744 1.00 0.00 C ATOM 941 O LEU A 59 55.439 -4.523 -1.855 1.00 0.00 O ATOM 942 CB LEU A 59 57.328 -3.541 -4.064 1.00 0.00 C ATOM 943 CG LEU A 59 57.741 -2.398 -5.004 1.00 0.00 C ATOM 944 CD1 LEU A 59 58.123 -2.994 -6.363 1.00 0.00 C ATOM 945 CD2 LEU A 59 56.577 -1.403 -5.188 1.00 0.00 C ATOM 0 H LEU A 59 59.213 -3.077 -2.317 1.00 0.00 H new ATOM 0 HA LEU A 59 56.404 -2.207 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 59 58.090 -4.320 -4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 59 56.403 -3.996 -4.418 1.00 0.00 H new ATOM 0 HG LEU A 59 58.588 -1.864 -4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 59 58.419 -2.194 -7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 59 58.954 -3.687 -6.236 1.00 0.00 H new ATOM 0 HD13 LEU A 59 57.268 -3.526 -6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 59 56.887 -0.600 -5.857 1.00 0.00 H new ATOM 0 HD22 LEU A 59 55.719 -1.922 -5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.301 -0.983 -4.221 1.00 0.00 H new ATOM 957 N TYR A 60 57.461 -4.687 -0.877 1.00 0.00 N ATOM 958 CA TYR A 60 57.062 -5.792 0.012 1.00 0.00 C ATOM 959 C TYR A 60 56.950 -5.332 1.465 1.00 0.00 C ATOM 960 O TYR A 60 57.721 -4.495 1.931 1.00 0.00 O ATOM 961 CB TYR A 60 58.089 -6.941 -0.093 1.00 0.00 C ATOM 962 CG TYR A 60 57.798 -7.788 -1.326 1.00 0.00 C ATOM 963 CD1 TYR A 60 57.801 -7.194 -2.594 1.00 0.00 C ATOM 964 CD2 TYR A 60 57.519 -9.162 -1.202 1.00 0.00 C ATOM 965 CE1 TYR A 60 57.535 -7.964 -3.733 1.00 0.00 C ATOM 966 CE2 TYR A 60 57.252 -9.929 -2.344 1.00 0.00 C ATOM 967 CZ TYR A 60 57.260 -9.330 -3.607 1.00 0.00 C ATOM 968 OH TYR A 60 56.995 -10.084 -4.732 1.00 0.00 O ATOM 0 H TYR A 60 58.430 -4.388 -0.769 1.00 0.00 H new ATOM 0 HA TYR A 60 56.080 -6.142 -0.306 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.098 -6.534 -0.151 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.047 -7.561 0.803 1.00 0.00 H new ATOM 0 HD1 TYR A 60 58.009 -6.139 -2.694 1.00 0.00 H new ATOM 0 HD2 TYR A 60 57.511 -9.625 -0.226 1.00 0.00 H new ATOM 0 HE1 TYR A 60 57.542 -7.503 -4.710 1.00 0.00 H new ATOM 0 HE2 TYR A 60 57.040 -10.984 -2.248 1.00 0.00 H new ATOM 0 HH TYR A 60 57.268 -9.587 -5.531 1.00 0.00 H new ATOM 978 N ARG A 61 55.968 -5.903 2.171 1.00 0.00 N ATOM 979 CA ARG A 61 55.722 -5.581 3.576 1.00 0.00 C ATOM 980 C ARG A 61 55.581 -6.864 4.393 1.00 0.00 C ATOM 981 O ARG A 61 55.438 -7.953 3.839 1.00 0.00 O ATOM 982 CB ARG A 61 54.451 -4.741 3.712 1.00 0.00 C ATOM 983 CG ARG A 61 54.691 -3.362 3.096 1.00 0.00 C ATOM 984 CD ARG A 61 53.410 -2.529 3.161 1.00 0.00 C ATOM 985 NE ARG A 61 53.646 -1.212 2.577 1.00 0.00 N ATOM 986 CZ ARG A 61 53.521 -0.999 1.269 1.00 0.00 C ATOM 987 NH1 ARG A 61 53.165 -1.972 0.477 1.00 0.00 N ATOM 988 NH2 ARG A 61 53.749 0.190 0.783 1.00 0.00 N ATOM 0 H ARG A 61 55.327 -6.596 1.786 1.00 0.00 H new ATOM 0 HA ARG A 61 56.569 -5.008 3.954 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.618 -5.236 3.212 1.00 0.00 H new ATOM 0 HB3 ARG A 61 54.178 -4.641 4.762 1.00 0.00 H new ATOM 0 HG2 ARG A 61 55.494 -2.852 3.628 1.00 0.00 H new ATOM 0 HG3 ARG A 61 55.013 -3.469 2.060 1.00 0.00 H new ATOM 0 HD2 ARG A 61 52.608 -3.036 2.625 1.00 0.00 H new ATOM 0 HD3 ARG A 61 53.085 -2.425 4.196 1.00 0.00 H new ATOM 0 HE ARG A 61 53.913 -0.438 3.185 1.00 0.00 H new ATOM 0 HH11 ARG A 61 52.981 -2.900 0.859 1.00 0.00 H new ATOM 0 HH12 ARG A 61 53.070 -1.805 -0.525 1.00 0.00 H new ATOM 0 HH21 ARG A 61 54.022 0.951 1.405 1.00 0.00 H new ATOM 0 HH22 ARG A 61 53.655 0.358 -0.219 1.00 0.00 H new ATOM 1002 N GLU A 62 55.638 -6.724 5.710 1.00 0.00 N ATOM 1003 CA GLU A 62 55.535 -7.879 6.603 1.00 0.00 C ATOM 1004 C GLU A 62 54.244 -8.662 6.363 1.00 0.00 C ATOM 1005 O GLU A 62 53.173 -8.079 6.197 1.00 0.00 O ATOM 1006 CB GLU A 62 55.562 -7.418 8.063 1.00 0.00 C ATOM 1007 CG GLU A 62 56.940 -6.857 8.406 1.00 0.00 C ATOM 1008 CD GLU A 62 56.965 -6.392 9.857 1.00 0.00 C ATOM 1009 OE1 GLU A 62 55.936 -6.487 10.506 1.00 0.00 O ATOM 1010 OE2 GLU A 62 58.012 -5.949 10.300 1.00 0.00 O ATOM 0 H GLU A 62 55.754 -5.829 6.186 1.00 0.00 H new ATOM 0 HA GLU A 62 56.385 -8.529 6.394 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.799 -6.657 8.227 1.00 0.00 H new ATOM 0 HB3 GLU A 62 55.326 -8.254 8.722 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.703 -7.619 8.246 1.00 0.00 H new ATOM 0 HG3 GLU A 62 57.178 -6.024 7.744 1.00 0.00 H new ATOM 1017 N GLY A 63 54.355 -9.993 6.381 1.00 0.00 N ATOM 1018 CA GLY A 63 53.184 -10.860 6.196 1.00 0.00 C ATOM 1019 C GLY A 63 52.966 -11.227 4.729 1.00 0.00 C ATOM 1020 O GLY A 63 51.967 -11.861 4.390 1.00 0.00 O ATOM 0 H GLY A 63 55.234 -10.492 6.520 1.00 0.00 H new ATOM 0 HA2 GLY A 63 53.311 -11.770 6.782 1.00 0.00 H new ATOM 0 HA3 GLY A 63 52.296 -10.356 6.579 1.00 0.00 H new ATOM 1024 N GLN A 64 53.889 -10.826 3.857 1.00 0.00 N ATOM 1025 CA GLN A 64 53.754 -11.130 2.429 1.00 0.00 C ATOM 1026 C GLN A 64 54.538 -12.383 2.047 1.00 0.00 C ATOM 1027 O GLN A 64 55.717 -12.522 2.372 1.00 0.00 O ATOM 1028 CB GLN A 64 54.238 -9.946 1.586 1.00 0.00 C ATOM 1029 CG GLN A 64 53.218 -8.810 1.680 1.00 0.00 C ATOM 1030 CD GLN A 64 53.633 -7.647 0.785 1.00 0.00 C ATOM 1031 OE1 GLN A 64 53.795 -6.525 1.257 1.00 0.00 O ATOM 1032 NE2 GLN A 64 53.796 -7.851 -0.493 1.00 0.00 N ATOM 0 H GLN A 64 54.726 -10.299 4.105 1.00 0.00 H new ATOM 0 HA GLN A 64 52.698 -11.313 2.230 1.00 0.00 H new ATOM 0 HB2 GLN A 64 55.212 -9.607 1.940 1.00 0.00 H new ATOM 0 HB3 GLN A 64 54.365 -10.252 0.547 1.00 0.00 H new ATOM 0 HG2 GLN A 64 52.233 -9.172 1.384 1.00 0.00 H new ATOM 0 HG3 GLN A 64 53.136 -8.471 2.713 1.00 0.00 H new ATOM 0 HE21 GLN A 64 53.661 -8.784 -0.882 1.00 0.00 H new ATOM 0 HE22 GLN A 64 54.059 -7.077 -1.104 1.00 0.00 H new ATOM 1041 N VAL A 65 53.863 -13.280 1.328 1.00 0.00 N ATOM 1042 CA VAL A 65 54.475 -14.530 0.857 1.00 0.00 C ATOM 1043 C VAL A 65 54.309 -14.611 -0.654 1.00 0.00 C ATOM 1044 O VAL A 65 53.205 -14.437 -1.171 1.00 0.00 O ATOM 1045 CB VAL A 65 53.809 -15.735 1.534 1.00 0.00 C ATOM 1046 CG1 VAL A 65 52.282 -15.625 1.423 1.00 0.00 C ATOM 1047 CG2 VAL A 65 54.274 -17.035 0.866 1.00 0.00 C ATOM 0 H VAL A 65 52.887 -13.166 1.056 1.00 0.00 H new ATOM 0 HA VAL A 65 55.535 -14.543 1.112 1.00 0.00 H new ATOM 0 HB VAL A 65 54.094 -15.746 2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 65 51.819 -16.485 1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 65 51.947 -14.710 1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 65 51.994 -15.601 0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 65 53.796 -17.885 1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.000 -17.020 -0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 65 55.356 -17.125 0.959 1.00 0.00 H new ATOM 1057 N VAL A 66 55.411 -14.842 -1.369 1.00 0.00 N ATOM 1058 CA VAL A 66 55.361 -14.890 -2.836 1.00 0.00 C ATOM 1059 C VAL A 66 56.374 -15.888 -3.424 1.00 0.00 C ATOM 1060 O VAL A 66 57.512 -15.943 -2.956 1.00 0.00 O ATOM 1061 CB VAL A 66 55.708 -13.498 -3.361 1.00 0.00 C ATOM 1062 CG1 VAL A 66 55.433 -13.419 -4.862 1.00 0.00 C ATOM 1063 CG2 VAL A 66 54.853 -12.451 -2.641 1.00 0.00 C ATOM 0 H VAL A 66 56.336 -14.997 -0.967 1.00 0.00 H new ATOM 0 HA VAL A 66 54.362 -15.211 -3.133 1.00 0.00 H new ATOM 0 HB VAL A 66 56.765 -13.305 -3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 66 55.684 -12.423 -5.226 1.00 0.00 H new ATOM 0 HG12 VAL A 66 56.041 -14.159 -5.383 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.378 -13.619 -5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.101 -11.458 -3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 66 53.798 -12.655 -2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.051 -12.494 -1.570 1.00 0.00 H new ATOM 1073 N PRO A 67 56.031 -16.643 -4.462 1.00 0.00 N ATOM 1074 CA PRO A 67 57.010 -17.578 -5.095 1.00 0.00 C ATOM 1075 C PRO A 67 58.282 -16.842 -5.527 1.00 0.00 C ATOM 1076 O PRO A 67 58.234 -15.676 -5.920 1.00 0.00 O ATOM 1077 CB PRO A 67 56.265 -18.159 -6.315 1.00 0.00 C ATOM 1078 CG PRO A 67 54.808 -17.943 -6.047 1.00 0.00 C ATOM 1079 CD PRO A 67 54.699 -16.724 -5.125 1.00 0.00 C ATOM 0 HA PRO A 67 57.337 -18.355 -4.404 1.00 0.00 H new ATOM 0 HB2 PRO A 67 56.571 -17.659 -7.234 1.00 0.00 H new ATOM 0 HB3 PRO A 67 56.486 -19.219 -6.439 1.00 0.00 H new ATOM 0 HG2 PRO A 67 54.266 -17.773 -6.977 1.00 0.00 H new ATOM 0 HG3 PRO A 67 54.368 -18.823 -5.577 1.00 0.00 H new ATOM 0 HD2 PRO A 67 54.480 -15.817 -5.689 1.00 0.00 H new ATOM 0 HD3 PRO A 67 53.898 -16.847 -4.396 1.00 0.00 H new ATOM 1087 N VAL A 68 59.415 -17.531 -5.442 1.00 0.00 N ATOM 1088 CA VAL A 68 60.700 -16.940 -5.815 1.00 0.00 C ATOM 1089 C VAL A 68 60.716 -16.566 -7.297 1.00 0.00 C ATOM 1090 O VAL A 68 60.388 -17.376 -8.162 1.00 0.00 O ATOM 1091 CB VAL A 68 61.823 -17.942 -5.498 1.00 0.00 C ATOM 1092 CG1 VAL A 68 61.414 -19.343 -5.959 1.00 0.00 C ATOM 1093 CG2 VAL A 68 63.128 -17.545 -6.199 1.00 0.00 C ATOM 0 H VAL A 68 59.472 -18.497 -5.119 1.00 0.00 H new ATOM 0 HA VAL A 68 60.855 -16.026 -5.242 1.00 0.00 H new ATOM 0 HB VAL A 68 61.987 -17.936 -4.420 1.00 0.00 H new ATOM 0 HG11 VAL A 68 62.213 -20.049 -5.732 1.00 0.00 H new ATOM 0 HG12 VAL A 68 60.504 -19.646 -5.440 1.00 0.00 H new ATOM 0 HG13 VAL A 68 61.233 -19.334 -7.034 1.00 0.00 H new ATOM 0 HG21 VAL A 68 63.906 -18.270 -5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 68 62.971 -17.526 -7.277 1.00 0.00 H new ATOM 0 HG23 VAL A 68 63.437 -16.556 -5.860 1.00 0.00 H new ATOM 1103 N GLY A 69 61.111 -15.322 -7.572 1.00 0.00 N ATOM 1104 CA GLY A 69 61.189 -14.818 -8.947 1.00 0.00 C ATOM 1105 C GLY A 69 60.644 -13.392 -9.056 1.00 0.00 C ATOM 1106 O GLY A 69 59.808 -13.107 -9.913 1.00 0.00 O ATOM 0 H GLY A 69 61.383 -14.643 -6.861 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.225 -14.839 -9.285 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.625 -15.475 -9.609 1.00 0.00 H new ATOM 1110 N SER A 70 61.126 -12.489 -8.197 1.00 0.00 N ATOM 1111 CA SER A 70 60.667 -11.099 -8.237 1.00 0.00 C ATOM 1112 C SER A 70 61.652 -10.171 -7.533 1.00 0.00 C ATOM 1113 O SER A 70 62.486 -10.620 -6.745 1.00 0.00 O ATOM 1114 CB SER A 70 59.295 -10.987 -7.573 1.00 0.00 C ATOM 1115 OG SER A 70 59.352 -11.570 -6.278 1.00 0.00 O ATOM 0 H SER A 70 61.821 -12.690 -7.478 1.00 0.00 H new ATOM 0 HA SER A 70 60.597 -10.796 -9.282 1.00 0.00 H new ATOM 0 HB2 SER A 70 58.997 -9.941 -7.501 1.00 0.00 H new ATOM 0 HB3 SER A 70 58.542 -11.492 -8.179 1.00 0.00 H new ATOM 0 HG SER A 70 58.657 -11.175 -5.711 1.00 0.00 H new ATOM 1121 N THR A 71 61.540 -8.872 -7.815 1.00 0.00 N ATOM 1122 CA THR A 71 62.415 -7.872 -7.202 1.00 0.00 C ATOM 1123 C THR A 71 61.773 -7.309 -5.944 1.00 0.00 C ATOM 1124 O THR A 71 60.707 -6.694 -5.996 1.00 0.00 O ATOM 1125 CB THR A 71 62.678 -6.733 -8.189 1.00 0.00 C ATOM 1126 OG1 THR A 71 61.449 -6.332 -8.777 1.00 0.00 O ATOM 1127 CG2 THR A 71 63.634 -7.209 -9.279 1.00 0.00 C ATOM 0 H THR A 71 60.853 -8.488 -8.463 1.00 0.00 H new ATOM 0 HA THR A 71 63.358 -8.352 -6.939 1.00 0.00 H new ATOM 0 HB THR A 71 63.125 -5.890 -7.663 1.00 0.00 H new ATOM 0 HG1 THR A 71 60.759 -6.272 -8.084 1.00 0.00 H new ATOM 0 HG21 THR A 71 63.820 -6.396 -9.981 1.00 0.00 H new ATOM 0 HG22 THR A 71 64.576 -7.520 -8.827 1.00 0.00 H new ATOM 0 HG23 THR A 71 63.190 -8.052 -9.809 1.00 0.00 H new ATOM 1135 N LEU A 72 62.423 -7.540 -4.811 1.00 0.00 N ATOM 1136 CA LEU A 72 61.913 -7.078 -3.530 1.00 0.00 C ATOM 1137 C LEU A 72 62.298 -5.622 -3.263 1.00 0.00 C ATOM 1138 O LEU A 72 61.701 -4.973 -2.402 1.00 0.00 O ATOM 1139 CB LEU A 72 62.482 -7.966 -2.421 1.00 0.00 C ATOM 1140 CG LEU A 72 61.787 -9.342 -2.420 1.00 0.00 C ATOM 1141 CD1 LEU A 72 60.352 -9.230 -1.870 1.00 0.00 C ATOM 1142 CD2 LEU A 72 61.738 -9.923 -3.841 1.00 0.00 C ATOM 0 H LEU A 72 63.307 -8.046 -4.755 1.00 0.00 H new ATOM 0 HA LEU A 72 60.825 -7.138 -3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 72 63.555 -8.094 -2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 72 62.345 -7.482 -1.454 1.00 0.00 H new ATOM 0 HG LEU A 72 62.366 -10.005 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 72 59.881 -10.213 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 72 60.382 -8.851 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 72 59.776 -8.546 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 72 61.244 -10.894 -3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 72 61.183 -9.247 -4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 72 62.753 -10.040 -4.221 1.00 0.00 H new ATOM 1154 N LEU A 73 63.299 -5.106 -3.975 1.00 0.00 N ATOM 1155 CA LEU A 73 63.719 -3.725 -3.741 1.00 0.00 C ATOM 1156 C LEU A 73 64.658 -3.237 -4.856 1.00 0.00 C ATOM 1157 O LEU A 73 65.503 -3.990 -5.339 1.00 0.00 O ATOM 1158 CB LEU A 73 64.440 -3.663 -2.363 1.00 0.00 C ATOM 1159 CG LEU A 73 64.010 -2.442 -1.515 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.327 -2.721 -0.039 1.00 0.00 C ATOM 1161 CD2 LEU A 73 64.785 -1.196 -1.958 1.00 0.00 C ATOM 0 H LEU A 73 63.820 -5.604 -4.697 1.00 0.00 H new ATOM 0 HA LEU A 73 62.845 -3.073 -3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 73 64.231 -4.577 -1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 73 65.518 -3.627 -2.523 1.00 0.00 H new ATOM 0 HG LEU A 73 62.942 -2.272 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.027 -1.865 0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.782 -3.606 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 73 65.397 -2.890 0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 73 64.476 -0.342 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 73 65.853 -1.366 -1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 73 64.578 -0.993 -3.009 1.00 0.00 H new ATOM 1173 N GLN A 74 64.540 -1.957 -5.215 1.00 0.00 N ATOM 1174 CA GLN A 74 65.428 -1.355 -6.224 1.00 0.00 C ATOM 1175 C GLN A 74 66.396 -0.438 -5.488 1.00 0.00 C ATOM 1176 O GLN A 74 65.970 0.483 -4.791 1.00 0.00 O ATOM 1177 CB GLN A 74 64.627 -0.563 -7.277 1.00 0.00 C ATOM 1178 CG GLN A 74 64.110 -1.506 -8.377 1.00 0.00 C ATOM 1179 CD GLN A 74 63.256 -0.731 -9.374 1.00 0.00 C ATOM 1180 OE1 GLN A 74 63.121 0.487 -9.264 1.00 0.00 O ATOM 1181 NE2 GLN A 74 62.670 -1.372 -10.347 1.00 0.00 N ATOM 0 H GLN A 74 63.846 -1.318 -4.828 1.00 0.00 H new ATOM 0 HA GLN A 74 65.966 -2.136 -6.761 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.788 -0.056 -6.800 1.00 0.00 H new ATOM 0 HB3 GLN A 74 65.257 0.209 -7.718 1.00 0.00 H new ATOM 0 HG2 GLN A 74 64.950 -1.972 -8.892 1.00 0.00 H new ATOM 0 HG3 GLN A 74 63.523 -2.310 -7.932 1.00 0.00 H new ATOM 0 HE21 GLN A 74 62.785 -2.382 -10.434 1.00 0.00 H new ATOM 0 HE22 GLN A 74 62.097 -0.864 -11.021 1.00 0.00 H new ATOM 1190 N ILE A 75 67.700 -0.723 -5.593 1.00 0.00 N ATOM 1191 CA ILE A 75 68.704 0.062 -4.869 1.00 0.00 C ATOM 1192 C ILE A 75 69.793 0.593 -5.792 1.00 0.00 C ATOM 1193 O ILE A 75 70.420 -0.158 -6.538 1.00 0.00 O ATOM 1194 CB ILE A 75 69.328 -0.845 -3.807 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.243 -1.311 -2.820 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.420 -0.096 -3.036 1.00 0.00 C ATOM 1197 CD1 ILE A 75 68.737 -2.534 -2.051 1.00 0.00 C ATOM 0 H ILE A 75 68.079 -1.479 -6.163 1.00 0.00 H new ATOM 0 HA ILE A 75 68.218 0.928 -4.419 1.00 0.00 H new ATOM 0 HB ILE A 75 69.771 -1.707 -4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.000 -0.507 -2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.327 -1.554 -3.359 1.00 0.00 H new ATOM 0 HG21 ILE A 75 70.853 -0.756 -2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.198 0.226 -3.728 1.00 0.00 H new ATOM 0 HG23 ILE A 75 69.987 0.776 -2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 75 67.966 -2.861 -1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 75 68.958 -3.339 -2.751 1.00 0.00 H new ATOM 0 HD13 ILE A 75 69.640 -2.276 -1.499 1.00 0.00 H new ATOM 1209 N ASP A 76 70.014 1.901 -5.711 1.00 0.00 N ATOM 1210 CA ASP A 76 71.034 2.562 -6.515 1.00 0.00 C ATOM 1211 C ASP A 76 72.398 2.476 -5.835 1.00 0.00 C ATOM 1212 O ASP A 76 72.494 2.513 -4.609 1.00 0.00 O ATOM 1213 CB ASP A 76 70.663 4.031 -6.725 1.00 0.00 C ATOM 1214 CG ASP A 76 70.519 4.740 -5.384 1.00 0.00 C ATOM 1215 OD1 ASP A 76 70.577 4.068 -4.367 1.00 0.00 O ATOM 1216 OD2 ASP A 76 70.355 5.949 -5.394 1.00 0.00 O ATOM 0 H ASP A 76 69.497 2.526 -5.093 1.00 0.00 H new ATOM 0 HA ASP A 76 71.089 2.057 -7.479 1.00 0.00 H new ATOM 0 HB2 ASP A 76 71.429 4.524 -7.324 1.00 0.00 H new ATOM 0 HB3 ASP A 76 69.729 4.101 -7.282 1.00 0.00 H new ATOM 1221 N THR A 77 73.449 2.363 -6.642 1.00 0.00 N ATOM 1222 CA THR A 77 74.807 2.277 -6.110 1.00 0.00 C ATOM 1223 C THR A 77 75.381 3.670 -5.882 1.00 0.00 C ATOM 1224 O THR A 77 74.790 4.619 -6.369 1.00 0.00 O ATOM 1225 CB THR A 77 75.702 1.510 -7.088 1.00 0.00 C ATOM 1226 OG1 THR A 77 77.004 1.382 -6.536 1.00 0.00 O ATOM 1227 CG2 THR A 77 75.785 2.267 -8.414 1.00 0.00 C ATOM 1228 OXT THR A 77 76.403 3.768 -5.221 1.00 0.00 O ATOM 0 H THR A 77 73.389 2.329 -7.660 1.00 0.00 H new ATOM 0 HA THR A 77 74.772 1.749 -5.157 1.00 0.00 H new ATOM 0 HB THR A 77 75.279 0.521 -7.263 1.00 0.00 H new ATOM 0 HG1 THR A 77 77.124 2.044 -5.824 1.00 0.00 H new ATOM 0 HG21 THR A 77 76.423 1.718 -9.107 1.00 0.00 H new ATOM 0 HG22 THR A 77 74.786 2.365 -8.840 1.00 0.00 H new ATOM 0 HG23 THR A 77 76.205 3.258 -8.242 1.00 0.00 H new