USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 577 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 3 THR OG1 : rot -30:sc= 0.207 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 19 ASN : amide:sc= -0.0578 K(o=-0.058,f=-2.9!) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0913 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.284 X(o=-0.28,f=-0.065) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0305) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.307 X(o=-0.31,f=0.017!) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= -0.0511 (180deg=-0.514) USER MOD Single : A 58 LYS NZ :NH3+ 156:sc=-0.000477 (180deg=-0.282) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 74 HIS : no HD1:sc= -0.128 X(o=-0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 25 N THR A 3 5.836 -3.748 -2.539 1.00 74.15 N ATOM 26 CA THR A 3 7.096 -4.422 -2.826 1.00 75.13 C ATOM 27 C THR A 3 7.671 -5.070 -1.572 1.00 13.31 C ATOM 28 O THR A 3 7.421 -4.612 -0.456 1.00 64.41 O ATOM 29 CB THR A 3 8.135 -3.446 -3.409 1.00 52.10 C ATOM 30 OG1 THR A 3 8.223 -2.276 -2.588 1.00 32.34 O ATOM 31 CG2 THR A 3 7.766 -3.047 -4.830 1.00 32.30 C ATOM 0 HA THR A 3 6.880 -5.195 -3.564 1.00 75.13 H new ATOM 0 HB THR A 3 9.102 -3.949 -3.429 1.00 52.10 H new ATOM 0 HG1 THR A 3 7.356 -2.109 -2.162 1.00 32.34 H new ATOM 0 HG21 THR A 3 8.515 -2.357 -5.220 1.00 32.30 H new ATOM 0 HG22 THR A 3 7.728 -3.936 -5.459 1.00 32.30 H new ATOM 0 HG23 THR A 3 6.790 -2.561 -4.830 1.00 32.30 H new ATOM 39 N ILE A 4 8.441 -6.135 -1.762 1.00 64.21 N ATOM 40 CA ILE A 4 9.053 -6.844 -0.645 1.00 43.10 C ATOM 41 C ILE A 4 9.803 -5.883 0.272 1.00 52.15 C ATOM 42 O ILE A 4 9.896 -6.106 1.479 1.00 52.43 O ATOM 43 CB ILE A 4 10.026 -7.933 -1.134 1.00 43.13 C ATOM 44 CG1 ILE A 4 9.279 -8.981 -1.961 1.00 41.04 C ATOM 45 CG2 ILE A 4 10.729 -8.585 0.047 1.00 0.11 C ATOM 46 CD1 ILE A 4 8.151 -9.652 -1.210 1.00 14.42 C ATOM 0 H ILE A 4 8.656 -6.526 -2.679 1.00 64.21 H new ATOM 0 HA ILE A 4 8.243 -7.315 -0.089 1.00 43.10 H new ATOM 0 HB ILE A 4 10.780 -7.467 -1.768 1.00 43.13 H new ATOM 0 HG12 ILE A 4 8.877 -8.506 -2.856 1.00 41.04 H new ATOM 0 HG13 ILE A 4 9.986 -9.741 -2.293 1.00 41.04 H new ATOM 0 HG21 ILE A 4 11.413 -9.352 -0.315 1.00 0.11 H new ATOM 0 HG22 ILE A 4 11.289 -7.830 0.599 1.00 0.11 H new ATOM 0 HG23 ILE A 4 9.989 -9.040 0.705 1.00 0.11 H new ATOM 0 HD11 ILE A 4 7.666 -10.383 -1.858 1.00 14.42 H new ATOM 0 HD12 ILE A 4 8.549 -10.156 -0.329 1.00 14.42 H new ATOM 0 HD13 ILE A 4 7.423 -8.902 -0.901 1.00 14.42 H new ATOM 58 N ASP A 5 10.334 -4.813 -0.310 1.00 20.02 N ATOM 59 CA ASP A 5 11.073 -3.815 0.455 1.00 62.21 C ATOM 60 C ASP A 5 10.229 -3.278 1.606 1.00 21.25 C ATOM 61 O ASP A 5 10.758 -2.889 2.648 1.00 72.01 O ATOM 62 CB ASP A 5 11.509 -2.665 -0.454 1.00 52.12 C ATOM 63 CG ASP A 5 13.010 -2.452 -0.439 1.00 52.14 C ATOM 64 OD1 ASP A 5 13.743 -3.370 -0.861 1.00 21.53 O ATOM 65 OD2 ASP A 5 13.451 -1.367 -0.006 1.00 2.04 O ATOM 0 H ASP A 5 10.267 -4.615 -1.308 1.00 20.02 H new ATOM 0 HA ASP A 5 11.959 -4.295 0.871 1.00 62.21 H new ATOM 0 HB2 ASP A 5 11.184 -2.869 -1.474 1.00 52.12 H new ATOM 0 HB3 ASP A 5 11.012 -1.748 -0.139 1.00 52.12 H new ATOM 70 N ASP A 6 8.915 -3.259 1.411 1.00 22.34 N ATOM 71 CA ASP A 6 7.997 -2.770 2.434 1.00 44.15 C ATOM 72 C ASP A 6 8.041 -3.658 3.673 1.00 32.10 C ATOM 73 O ASP A 6 7.704 -3.222 4.773 1.00 33.03 O ATOM 74 CB ASP A 6 6.572 -2.711 1.883 1.00 53.30 C ATOM 75 CG ASP A 6 5.757 -1.593 2.504 1.00 21.23 C ATOM 76 OD1 ASP A 6 5.335 -1.744 3.670 1.00 13.11 O ATOM 77 OD2 ASP A 6 5.543 -0.568 1.825 1.00 14.32 O ATOM 0 H ASP A 6 8.461 -3.576 0.554 1.00 22.34 H new ATOM 0 HA ASP A 6 8.310 -1.765 2.719 1.00 44.15 H new ATOM 0 HB2 ASP A 6 6.609 -2.573 0.802 1.00 53.30 H new ATOM 0 HB3 ASP A 6 6.075 -3.664 2.066 1.00 53.30 H new ATOM 82 N ALA A 7 8.457 -4.906 3.486 1.00 60.30 N ATOM 83 CA ALA A 7 8.545 -5.855 4.589 1.00 63.53 C ATOM 84 C ALA A 7 9.784 -5.596 5.439 1.00 42.40 C ATOM 85 O ALA A 7 9.689 -5.411 6.652 1.00 11.45 O ATOM 86 CB ALA A 7 8.557 -7.281 4.058 1.00 34.40 C ATOM 0 H ALA A 7 8.738 -5.283 2.581 1.00 60.30 H new ATOM 0 HA ALA A 7 7.668 -5.721 5.222 1.00 63.53 H new ATOM 0 HB1 ALA A 7 8.623 -7.979 4.892 1.00 34.40 H new ATOM 0 HB2 ALA A 7 7.640 -7.469 3.499 1.00 34.40 H new ATOM 0 HB3 ALA A 7 9.416 -7.418 3.402 1.00 34.40 H new ATOM 92 N PHE A 8 10.946 -5.584 4.795 1.00 44.53 N ATOM 93 CA PHE A 8 12.205 -5.348 5.493 1.00 51.04 C ATOM 94 C PHE A 8 12.121 -4.094 6.358 1.00 55.01 C ATOM 95 O PHE A 8 12.502 -4.108 7.529 1.00 55.15 O ATOM 96 CB PHE A 8 13.352 -5.212 4.489 1.00 74.33 C ATOM 97 CG PHE A 8 13.479 -6.387 3.561 1.00 14.13 C ATOM 98 CD1 PHE A 8 13.465 -7.681 4.055 1.00 30.24 C ATOM 99 CD2 PHE A 8 13.612 -6.197 2.195 1.00 10.43 C ATOM 100 CE1 PHE A 8 13.581 -8.764 3.205 1.00 62.53 C ATOM 101 CE2 PHE A 8 13.728 -7.276 1.340 1.00 41.22 C ATOM 102 CZ PHE A 8 13.714 -8.561 1.845 1.00 30.21 C ATOM 0 H PHE A 8 11.042 -5.735 3.791 1.00 44.53 H new ATOM 0 HA PHE A 8 12.398 -6.203 6.141 1.00 51.04 H new ATOM 0 HB2 PHE A 8 13.203 -4.308 3.899 1.00 74.33 H new ATOM 0 HB3 PHE A 8 14.288 -5.086 5.033 1.00 74.33 H new ATOM 0 HD1 PHE A 8 13.362 -7.845 5.117 1.00 30.24 H new ATOM 0 HD2 PHE A 8 13.625 -5.194 1.794 1.00 10.43 H new ATOM 0 HE1 PHE A 8 13.568 -9.768 3.603 1.00 62.53 H new ATOM 0 HE2 PHE A 8 13.830 -7.114 0.277 1.00 41.22 H new ATOM 0 HZ PHE A 8 13.807 -9.406 1.178 1.00 30.21 H new ATOM 112 N ARG A 9 11.619 -3.011 5.773 1.00 63.23 N ATOM 113 CA ARG A 9 11.486 -1.748 6.489 1.00 63.14 C ATOM 114 C ARG A 9 10.601 -1.912 7.721 1.00 63.22 C ATOM 115 O ARG A 9 10.830 -1.279 8.751 1.00 45.44 O ATOM 116 CB ARG A 9 10.903 -0.675 5.568 1.00 0.50 C ATOM 117 CG ARG A 9 9.490 -0.978 5.097 1.00 62.10 C ATOM 118 CD ARG A 9 8.906 0.181 4.305 1.00 60.15 C ATOM 119 NE ARG A 9 7.465 0.311 4.506 1.00 24.30 N ATOM 120 CZ ARG A 9 6.733 1.282 3.973 1.00 44.44 C ATOM 121 NH1 ARG A 9 7.304 2.204 3.209 1.00 0.02 N ATOM 122 NH2 ARG A 9 5.427 1.333 4.202 1.00 4.11 N ATOM 0 H ARG A 9 11.298 -2.983 4.805 1.00 63.23 H new ATOM 0 HA ARG A 9 12.479 -1.437 6.815 1.00 63.14 H new ATOM 0 HB2 ARG A 9 10.905 0.281 6.091 1.00 0.50 H new ATOM 0 HB3 ARG A 9 11.551 -0.564 4.698 1.00 0.50 H new ATOM 0 HG2 ARG A 9 9.496 -1.876 4.479 1.00 62.10 H new ATOM 0 HG3 ARG A 9 8.856 -1.188 5.958 1.00 62.10 H new ATOM 0 HD2 ARG A 9 9.398 1.107 4.602 1.00 60.15 H new ATOM 0 HD3 ARG A 9 9.112 0.036 3.245 1.00 60.15 H new ATOM 0 HE ARG A 9 6.995 -0.383 5.088 1.00 24.30 H new ATOM 0 HH11 ARG A 9 8.308 2.168 3.030 1.00 0.02 H new ATOM 0 HH12 ARG A 9 6.740 2.949 2.801 1.00 0.02 H new ATOM 0 HH21 ARG A 9 4.984 0.626 4.788 1.00 4.11 H new ATOM 0 HH22 ARG A 9 4.866 2.080 3.792 1.00 4.11 H new ATOM 136 N ALA A 10 9.590 -2.766 7.607 1.00 74.42 N ATOM 137 CA ALA A 10 8.671 -3.015 8.711 1.00 4.23 C ATOM 138 C ALA A 10 9.343 -3.832 9.810 1.00 75.21 C ATOM 139 O ALA A 10 9.054 -3.654 10.993 1.00 14.25 O ATOM 140 CB ALA A 10 7.423 -3.725 8.210 1.00 32.31 C ATOM 0 H ALA A 10 9.386 -3.298 6.761 1.00 74.42 H new ATOM 0 HA ALA A 10 8.382 -2.053 9.135 1.00 4.23 H new ATOM 0 HB1 ALA A 10 6.746 -3.904 9.045 1.00 32.31 H new ATOM 0 HB2 ALA A 10 6.925 -3.103 7.466 1.00 32.31 H new ATOM 0 HB3 ALA A 10 7.702 -4.677 7.759 1.00 32.31 H new ATOM 146 N ILE A 11 10.238 -4.729 9.410 1.00 2.34 N ATOM 147 CA ILE A 11 10.950 -5.573 10.362 1.00 40.12 C ATOM 148 C ILE A 11 11.622 -4.735 11.444 1.00 22.33 C ATOM 149 O ILE A 11 11.511 -5.035 12.633 1.00 63.04 O ATOM 150 CB ILE A 11 12.016 -6.436 9.661 1.00 75.30 C ATOM 151 CG1 ILE A 11 11.350 -7.439 8.716 1.00 20.22 C ATOM 152 CG2 ILE A 11 12.873 -7.158 10.690 1.00 71.12 C ATOM 153 CD1 ILE A 11 10.424 -8.408 9.418 1.00 12.40 C ATOM 0 H ILE A 11 10.487 -4.890 8.434 1.00 2.34 H new ATOM 0 HA ILE A 11 10.208 -6.227 10.821 1.00 40.12 H new ATOM 0 HB ILE A 11 12.662 -5.784 9.073 1.00 75.30 H new ATOM 0 HG12 ILE A 11 10.786 -6.894 7.959 1.00 20.22 H new ATOM 0 HG13 ILE A 11 12.123 -8.002 8.193 1.00 20.22 H new ATOM 0 HG21 ILE A 11 13.622 -7.764 10.179 1.00 71.12 H new ATOM 0 HG22 ILE A 11 13.371 -6.427 11.327 1.00 71.12 H new ATOM 0 HG23 ILE A 11 12.241 -7.802 11.302 1.00 71.12 H new ATOM 0 HD11 ILE A 11 9.988 -9.089 8.687 1.00 12.40 H new ATOM 0 HD12 ILE A 11 10.987 -8.980 10.156 1.00 12.40 H new ATOM 0 HD13 ILE A 11 9.629 -7.854 9.918 1.00 12.40 H new ATOM 165 N GLU A 12 12.318 -3.683 11.024 1.00 31.23 N ATOM 166 CA GLU A 12 13.007 -2.801 11.959 1.00 21.40 C ATOM 167 C GLU A 12 12.024 -2.179 12.946 1.00 34.10 C ATOM 168 O GLU A 12 12.375 -1.890 14.090 1.00 50.01 O ATOM 169 CB GLU A 12 13.752 -1.700 11.201 1.00 33.23 C ATOM 170 CG GLU A 12 14.615 -0.824 12.094 1.00 72.14 C ATOM 171 CD GLU A 12 15.004 0.482 11.428 1.00 30.24 C ATOM 172 OE1 GLU A 12 15.736 0.437 10.417 1.00 32.23 O ATOM 173 OE2 GLU A 12 14.577 1.548 11.918 1.00 4.15 O ATOM 0 H GLU A 12 12.420 -3.421 10.043 1.00 31.23 H new ATOM 0 HA GLU A 12 13.727 -3.398 12.518 1.00 21.40 H new ATOM 0 HB2 GLU A 12 14.381 -2.158 10.438 1.00 33.23 H new ATOM 0 HB3 GLU A 12 13.027 -1.073 10.682 1.00 33.23 H new ATOM 0 HG2 GLU A 12 14.077 -0.611 13.017 1.00 72.14 H new ATOM 0 HG3 GLU A 12 15.517 -1.370 12.370 1.00 72.14 H new ATOM 180 N ARG A 13 10.790 -1.976 12.494 1.00 3.44 N ATOM 181 CA ARG A 13 9.756 -1.386 13.336 1.00 21.21 C ATOM 182 C ARG A 13 9.239 -2.400 14.352 1.00 20.15 C ATOM 183 O ARG A 13 8.800 -2.033 15.442 1.00 25.11 O ATOM 184 CB ARG A 13 8.599 -0.875 12.476 1.00 11.42 C ATOM 185 CG ARG A 13 7.977 0.411 12.995 1.00 14.32 C ATOM 186 CD ARG A 13 8.768 1.632 12.551 1.00 34.22 C ATOM 187 NE ARG A 13 8.535 2.781 13.422 1.00 42.12 N ATOM 188 CZ ARG A 13 7.412 3.490 13.419 1.00 34.21 C ATOM 189 NH1 ARG A 13 6.423 3.168 12.596 1.00 1.21 N ATOM 190 NH2 ARG A 13 7.275 4.522 14.241 1.00 1.42 N ATOM 0 H ARG A 13 10.483 -2.211 11.550 1.00 3.44 H new ATOM 0 HA ARG A 13 10.196 -0.548 13.876 1.00 21.21 H new ATOM 0 HB2 ARG A 13 8.957 -0.711 11.460 1.00 11.42 H new ATOM 0 HB3 ARG A 13 7.829 -1.645 12.422 1.00 11.42 H new ATOM 0 HG2 ARG A 13 6.951 0.491 12.636 1.00 14.32 H new ATOM 0 HG3 ARG A 13 7.932 0.381 14.084 1.00 14.32 H new ATOM 0 HD2 ARG A 13 9.831 1.392 12.544 1.00 34.22 H new ATOM 0 HD3 ARG A 13 8.493 1.890 11.529 1.00 34.22 H new ATOM 0 HE ARG A 13 9.276 3.054 14.068 1.00 42.12 H new ATOM 0 HH11 ARG A 13 6.524 2.374 11.963 1.00 1.21 H new ATOM 0 HH12 ARG A 13 5.562 3.714 12.596 1.00 1.21 H new ATOM 0 HH21 ARG A 13 8.033 4.772 14.876 1.00 1.42 H new ATOM 0 HH22 ARG A 13 6.412 5.066 14.238 1.00 1.42 H new ATOM 204 N ALA A 14 9.294 -3.677 13.987 1.00 15.33 N ATOM 205 CA ALA A 14 8.832 -4.743 14.867 1.00 24.42 C ATOM 206 C ALA A 14 9.713 -4.851 16.107 1.00 23.42 C ATOM 207 O ALA A 14 9.216 -4.865 17.234 1.00 63.03 O ATOM 208 CB ALA A 14 8.804 -6.069 14.120 1.00 3.43 C ATOM 0 H ALA A 14 9.654 -3.998 13.088 1.00 15.33 H new ATOM 0 HA ALA A 14 7.820 -4.500 15.192 1.00 24.42 H new ATOM 0 HB1 ALA A 14 8.457 -6.856 14.789 1.00 3.43 H new ATOM 0 HB2 ALA A 14 8.128 -5.993 13.268 1.00 3.43 H new ATOM 0 HB3 ALA A 14 9.807 -6.309 13.767 1.00 3.43 H new ATOM 214 N ILE A 15 11.022 -4.929 15.892 1.00 3.34 N ATOM 215 CA ILE A 15 11.972 -5.035 16.993 1.00 34.24 C ATOM 216 C ILE A 15 11.905 -3.809 17.897 1.00 32.04 C ATOM 217 O ILE A 15 12.023 -3.919 19.117 1.00 15.25 O ATOM 218 CB ILE A 15 13.414 -5.202 16.479 1.00 33.12 C ATOM 219 CG1 ILE A 15 14.391 -5.282 17.654 1.00 41.34 C ATOM 220 CG2 ILE A 15 13.782 -4.052 15.553 1.00 22.53 C ATOM 221 CD1 ILE A 15 15.225 -6.544 17.662 1.00 75.04 C ATOM 0 H ILE A 15 11.449 -4.921 14.966 1.00 3.34 H new ATOM 0 HA ILE A 15 11.694 -5.921 17.565 1.00 34.24 H new ATOM 0 HB ILE A 15 13.478 -6.132 15.914 1.00 33.12 H new ATOM 0 HG12 ILE A 15 15.055 -4.418 17.624 1.00 41.34 H new ATOM 0 HG13 ILE A 15 13.830 -5.221 18.587 1.00 41.34 H new ATOM 0 HG21 ILE A 15 14.804 -4.184 15.198 1.00 22.53 H new ATOM 0 HG22 ILE A 15 13.101 -4.038 14.702 1.00 22.53 H new ATOM 0 HG23 ILE A 15 13.705 -3.109 16.095 1.00 22.53 H new ATOM 0 HD11 ILE A 15 15.894 -6.532 18.522 1.00 75.04 H new ATOM 0 HD12 ILE A 15 14.570 -7.413 17.724 1.00 75.04 H new ATOM 0 HD13 ILE A 15 15.813 -6.597 16.746 1.00 75.04 H new ATOM 233 N GLN A 16 11.714 -2.642 17.290 1.00 75.51 N ATOM 234 CA GLN A 16 11.630 -1.395 18.041 1.00 72.42 C ATOM 235 C GLN A 16 10.418 -1.398 18.967 1.00 1.00 C ATOM 236 O GLN A 16 10.387 -0.680 19.966 1.00 31.21 O ATOM 237 CB GLN A 16 11.553 -0.204 17.085 1.00 41.14 C ATOM 238 CG GLN A 16 12.909 0.252 16.571 1.00 41.04 C ATOM 239 CD GLN A 16 12.805 1.403 15.590 1.00 54.22 C ATOM 240 OE1 GLN A 16 11.826 1.518 14.851 1.00 31.14 O ATOM 241 NE2 GLN A 16 13.816 2.264 15.577 1.00 15.11 N ATOM 0 H GLN A 16 11.615 -2.534 16.281 1.00 75.51 H new ATOM 0 HA GLN A 16 12.530 -1.306 18.650 1.00 72.42 H new ATOM 0 HB2 GLN A 16 10.923 -0.470 16.236 1.00 41.14 H new ATOM 0 HB3 GLN A 16 11.068 0.629 17.594 1.00 41.14 H new ATOM 0 HG2 GLN A 16 13.530 0.554 17.414 1.00 41.04 H new ATOM 0 HG3 GLN A 16 13.411 -0.587 16.089 1.00 41.04 H new ATOM 0 HE21 GLN A 16 14.607 2.131 16.206 1.00 15.11 H new ATOM 0 HE22 GLN A 16 13.801 3.059 14.938 1.00 15.11 H new ATOM 250 N ALA A 17 9.422 -2.210 18.628 1.00 51.42 N ATOM 251 CA ALA A 17 8.209 -2.307 19.430 1.00 53.31 C ATOM 252 C ALA A 17 8.535 -2.652 20.879 1.00 52.10 C ATOM 253 O ALA A 17 7.995 -2.049 21.806 1.00 30.31 O ATOM 254 CB ALA A 17 7.266 -3.344 18.838 1.00 50.34 C ATOM 0 H ALA A 17 9.432 -2.810 17.803 1.00 51.42 H new ATOM 0 HA ALA A 17 7.716 -1.335 19.417 1.00 53.31 H new ATOM 0 HB1 ALA A 17 6.364 -3.406 19.447 1.00 50.34 H new ATOM 0 HB2 ALA A 17 6.998 -3.054 17.822 1.00 50.34 H new ATOM 0 HB3 ALA A 17 7.759 -4.316 18.820 1.00 50.34 H new ATOM 260 N GLU A 18 9.420 -3.626 21.066 1.00 45.53 N ATOM 261 CA GLU A 18 9.816 -4.051 22.403 1.00 23.01 C ATOM 262 C GLU A 18 8.628 -4.635 23.162 1.00 23.30 C ATOM 263 O GLU A 18 8.510 -4.467 24.375 1.00 54.12 O ATOM 264 CB GLU A 18 10.405 -2.874 23.184 1.00 40.14 C ATOM 265 CG GLU A 18 11.440 -2.082 22.402 1.00 73.01 C ATOM 266 CD GLU A 18 12.741 -1.912 23.162 1.00 32.50 C ATOM 267 OE1 GLU A 18 13.516 -2.889 23.238 1.00 12.50 O ATOM 268 OE2 GLU A 18 12.984 -0.803 23.681 1.00 52.42 O ATOM 0 H GLU A 18 9.876 -4.135 20.309 1.00 45.53 H new ATOM 0 HA GLU A 18 10.576 -4.825 22.300 1.00 23.01 H new ATOM 0 HB2 GLU A 18 9.597 -2.206 23.482 1.00 40.14 H new ATOM 0 HB3 GLU A 18 10.862 -3.249 24.100 1.00 40.14 H new ATOM 0 HG2 GLU A 18 11.639 -2.586 21.456 1.00 73.01 H new ATOM 0 HG3 GLU A 18 11.034 -1.100 22.160 1.00 73.01 H new ATOM 275 N ASN A 19 7.751 -5.322 22.438 1.00 71.43 N ATOM 276 CA ASN A 19 6.571 -5.931 23.042 1.00 41.05 C ATOM 277 C ASN A 19 6.286 -7.296 22.422 1.00 13.21 C ATOM 278 O ASN A 19 6.752 -7.599 21.325 1.00 71.44 O ATOM 279 CB ASN A 19 5.356 -5.017 22.871 1.00 41.11 C ATOM 280 CG ASN A 19 4.126 -5.552 23.578 1.00 20.20 C ATOM 281 OD1 ASN A 19 4.224 -6.157 24.646 1.00 62.44 O ATOM 282 ND2 ASN A 19 2.959 -5.331 22.984 1.00 61.11 N ATOM 0 H ASN A 19 7.835 -5.471 21.432 1.00 71.43 H new ATOM 0 HA ASN A 19 6.767 -6.068 24.105 1.00 41.05 H new ATOM 0 HB2 ASN A 19 5.593 -4.026 23.259 1.00 41.11 H new ATOM 0 HB3 ASN A 19 5.139 -4.900 21.809 1.00 41.11 H new ATOM 0 HD21 ASN A 19 2.097 -5.667 23.413 1.00 61.11 H new ATOM 0 HD22 ASN A 19 2.925 -4.825 22.099 1.00 61.11 H new ATOM 289 N GLU A 20 5.516 -8.113 23.134 1.00 63.51 N ATOM 290 CA GLU A 20 5.169 -9.446 22.654 1.00 42.24 C ATOM 291 C GLU A 20 3.662 -9.577 22.454 1.00 0.31 C ATOM 292 O GLU A 20 2.896 -9.587 23.417 1.00 60.33 O ATOM 293 CB GLU A 20 5.659 -10.510 23.637 1.00 31.55 C ATOM 294 CG GLU A 20 5.392 -10.164 25.092 1.00 14.55 C ATOM 295 CD GLU A 20 5.900 -11.225 26.048 1.00 31.42 C ATOM 296 OE1 GLU A 20 7.099 -11.565 25.975 1.00 21.31 O ATOM 297 OE2 GLU A 20 5.097 -11.716 26.870 1.00 63.32 O ATOM 0 H GLU A 20 5.121 -7.876 24.044 1.00 63.51 H new ATOM 0 HA GLU A 20 5.660 -9.597 21.693 1.00 42.24 H new ATOM 0 HB2 GLU A 20 5.175 -11.459 23.403 1.00 31.55 H new ATOM 0 HB3 GLU A 20 6.730 -10.655 23.498 1.00 31.55 H new ATOM 0 HG2 GLU A 20 5.866 -9.211 25.328 1.00 14.55 H new ATOM 0 HG3 GLU A 20 4.320 -10.031 25.239 1.00 14.55 H new ATOM 304 N GLY A 21 3.244 -9.675 21.196 1.00 73.52 N ATOM 305 CA GLY A 21 1.831 -9.803 20.892 1.00 75.53 C ATOM 306 C GLY A 21 1.582 -10.217 19.455 1.00 72.22 C ATOM 307 O GLY A 21 1.960 -11.314 19.043 1.00 21.13 O ATOM 0 H GLY A 21 3.859 -9.668 20.382 1.00 73.52 H new ATOM 0 HA2 GLY A 21 1.384 -10.538 21.561 1.00 75.53 H new ATOM 0 HA3 GLY A 21 1.334 -8.852 21.084 1.00 75.53 H new ATOM 311 N ARG A 22 0.943 -9.338 18.690 1.00 75.31 N ATOM 312 CA ARG A 22 0.641 -9.619 17.291 1.00 20.44 C ATOM 313 C ARG A 22 1.922 -9.728 16.470 1.00 25.12 C ATOM 314 O ARG A 22 1.937 -10.338 15.401 1.00 74.03 O ATOM 315 CB ARG A 22 -0.258 -8.526 16.712 1.00 42.25 C ATOM 316 CG ARG A 22 0.432 -7.178 16.577 1.00 30.14 C ATOM 317 CD ARG A 22 -0.567 -6.067 16.293 1.00 64.01 C ATOM 318 NE ARG A 22 -0.107 -5.177 15.230 1.00 0.01 N ATOM 319 CZ ARG A 22 -0.784 -4.110 14.821 1.00 73.01 C ATOM 320 NH1 ARG A 22 -1.945 -3.802 15.383 1.00 41.21 N ATOM 321 NH2 ARG A 22 -0.300 -3.349 13.848 1.00 54.51 N ATOM 0 H ARG A 22 0.624 -8.425 19.015 1.00 75.31 H new ATOM 0 HA ARG A 22 0.117 -10.574 17.243 1.00 20.44 H new ATOM 0 HB2 ARG A 22 -0.614 -8.842 15.732 1.00 42.25 H new ATOM 0 HB3 ARG A 22 -1.135 -8.413 17.349 1.00 42.25 H new ATOM 0 HG2 ARG A 22 0.977 -6.953 17.494 1.00 30.14 H new ATOM 0 HG3 ARG A 22 1.166 -7.223 15.773 1.00 30.14 H new ATOM 0 HD2 ARG A 22 -1.525 -6.504 16.011 1.00 64.01 H new ATOM 0 HD3 ARG A 22 -0.735 -5.490 17.202 1.00 64.01 H new ATOM 0 HE ARG A 22 0.783 -5.386 14.777 1.00 0.01 H new ATOM 0 HH11 ARG A 22 -2.320 -4.385 16.131 1.00 41.21 H new ATOM 0 HH12 ARG A 22 -2.463 -2.982 15.067 1.00 41.21 H new ATOM 0 HH21 ARG A 22 0.593 -3.583 13.413 1.00 54.51 H new ATOM 0 HH22 ARG A 22 -0.821 -2.530 13.534 1.00 54.51 H new ATOM 335 N TYR A 23 2.996 -9.133 16.977 1.00 0.53 N ATOM 336 CA TYR A 23 4.282 -9.160 16.290 1.00 55.33 C ATOM 337 C TYR A 23 4.667 -10.587 15.912 1.00 42.41 C ATOM 338 O TYR A 23 5.346 -10.813 14.910 1.00 20.52 O ATOM 339 CB TYR A 23 5.368 -8.542 17.171 1.00 23.23 C ATOM 340 CG TYR A 23 4.990 -7.195 17.745 1.00 61.15 C ATOM 341 CD1 TYR A 23 5.100 -6.038 16.983 1.00 33.30 C ATOM 342 CD2 TYR A 23 4.522 -7.080 19.048 1.00 41.42 C ATOM 343 CE1 TYR A 23 4.756 -4.806 17.503 1.00 1.51 C ATOM 344 CE2 TYR A 23 4.175 -5.851 19.576 1.00 73.13 C ATOM 345 CZ TYR A 23 4.294 -4.717 18.800 1.00 71.13 C ATOM 346 OH TYR A 23 3.949 -3.491 19.321 1.00 62.10 O ATOM 0 H TYR A 23 3.002 -8.626 17.862 1.00 0.53 H new ATOM 0 HA TYR A 23 4.190 -8.574 15.376 1.00 55.33 H new ATOM 0 HB2 TYR A 23 5.593 -9.226 17.989 1.00 23.23 H new ATOM 0 HB3 TYR A 23 6.281 -8.435 16.586 1.00 23.23 H new ATOM 0 HD1 TYR A 23 5.461 -6.104 15.967 1.00 33.30 H new ATOM 0 HD2 TYR A 23 4.428 -7.966 19.658 1.00 41.42 H new ATOM 0 HE1 TYR A 23 4.848 -3.916 16.897 1.00 1.51 H new ATOM 0 HE2 TYR A 23 3.813 -5.779 20.591 1.00 73.13 H new ATOM 0 HH TYR A 23 3.642 -3.603 20.245 1.00 62.10 H new ATOM 356 N ARG A 24 4.228 -11.545 16.721 1.00 25.12 N ATOM 357 CA ARG A 24 4.527 -12.950 16.474 1.00 64.44 C ATOM 358 C ARG A 24 3.921 -13.410 15.151 1.00 60.30 C ATOM 359 O ARG A 24 4.570 -14.102 14.367 1.00 23.14 O ATOM 360 CB ARG A 24 3.997 -13.816 17.618 1.00 4.12 C ATOM 361 CG ARG A 24 4.080 -15.308 17.342 1.00 23.30 C ATOM 362 CD ARG A 24 2.740 -15.866 16.890 1.00 71.51 C ATOM 363 NE ARG A 24 2.857 -16.639 15.656 1.00 31.33 N ATOM 364 CZ ARG A 24 3.372 -17.863 15.601 1.00 14.34 C ATOM 365 NH1 ARG A 24 3.814 -18.449 16.705 1.00 20.40 N ATOM 366 NH2 ARG A 24 3.444 -18.502 14.441 1.00 51.11 N ATOM 0 H ARG A 24 3.664 -11.374 17.553 1.00 25.12 H new ATOM 0 HA ARG A 24 5.610 -13.060 16.416 1.00 64.44 H new ATOM 0 HB2 ARG A 24 4.560 -13.591 18.524 1.00 4.12 H new ATOM 0 HB3 ARG A 24 2.959 -13.549 17.814 1.00 4.12 H new ATOM 0 HG2 ARG A 24 4.831 -15.496 16.575 1.00 23.30 H new ATOM 0 HG3 ARG A 24 4.407 -15.828 18.242 1.00 23.30 H new ATOM 0 HD2 ARG A 24 2.327 -16.498 17.676 1.00 71.51 H new ATOM 0 HD3 ARG A 24 2.038 -15.046 16.739 1.00 71.51 H new ATOM 0 HE ARG A 24 2.525 -16.216 14.789 1.00 31.33 H new ATOM 0 HH11 ARG A 24 3.759 -17.960 17.599 1.00 20.40 H new ATOM 0 HH12 ARG A 24 4.209 -19.388 16.661 1.00 20.40 H new ATOM 0 HH21 ARG A 24 3.104 -18.054 13.590 1.00 51.11 H new ATOM 0 HH22 ARG A 24 3.839 -19.441 14.400 1.00 51.11 H new ATOM 380 N GLU A 25 2.673 -13.021 14.911 1.00 72.01 N ATOM 381 CA GLU A 25 1.979 -13.395 13.684 1.00 63.01 C ATOM 382 C GLU A 25 2.489 -12.578 12.500 1.00 10.12 C ATOM 383 O GLU A 25 2.508 -13.054 11.366 1.00 71.32 O ATOM 384 CB GLU A 25 0.471 -13.196 13.843 1.00 14.35 C ATOM 385 CG GLU A 25 -0.170 -14.161 14.826 1.00 34.31 C ATOM 386 CD GLU A 25 -1.439 -14.790 14.283 1.00 64.44 C ATOM 387 OE1 GLU A 25 -2.478 -14.099 14.254 1.00 11.33 O ATOM 388 OE2 GLU A 25 -1.392 -15.974 13.886 1.00 1.52 O ATOM 0 H GLU A 25 2.122 -12.447 15.549 1.00 72.01 H new ATOM 0 HA GLU A 25 2.180 -14.449 13.490 1.00 63.01 H new ATOM 0 HB2 GLU A 25 0.281 -12.175 14.173 1.00 14.35 H new ATOM 0 HB3 GLU A 25 -0.007 -13.311 12.870 1.00 14.35 H new ATOM 0 HG2 GLU A 25 0.543 -14.947 15.075 1.00 34.31 H new ATOM 0 HG3 GLU A 25 -0.398 -13.633 15.752 1.00 34.31 H new ATOM 395 N ALA A 26 2.901 -11.344 12.774 1.00 72.31 N ATOM 396 CA ALA A 26 3.412 -10.461 11.733 1.00 31.11 C ATOM 397 C ALA A 26 4.504 -11.146 10.919 1.00 21.40 C ATOM 398 O ALA A 26 4.538 -11.039 9.692 1.00 22.24 O ATOM 399 CB ALA A 26 3.938 -9.172 12.346 1.00 24.05 C ATOM 0 H ALA A 26 2.891 -10.934 13.708 1.00 72.31 H new ATOM 0 HA ALA A 26 2.590 -10.221 11.059 1.00 31.11 H new ATOM 0 HB1 ALA A 26 4.317 -8.522 11.557 1.00 24.05 H new ATOM 0 HB2 ALA A 26 3.132 -8.666 12.877 1.00 24.05 H new ATOM 0 HB3 ALA A 26 4.743 -9.403 13.043 1.00 24.05 H new ATOM 405 N LEU A 27 5.396 -11.850 11.608 1.00 13.11 N ATOM 406 CA LEU A 27 6.491 -12.553 10.949 1.00 54.04 C ATOM 407 C LEU A 27 5.965 -13.469 9.848 1.00 21.11 C ATOM 408 O LEU A 27 6.591 -13.619 8.798 1.00 32.24 O ATOM 409 CB LEU A 27 7.288 -13.368 11.969 1.00 53.32 C ATOM 410 CG LEU A 27 8.565 -12.715 12.499 1.00 52.23 C ATOM 411 CD1 LEU A 27 9.232 -13.609 13.533 1.00 52.33 C ATOM 412 CD2 LEU A 27 9.523 -12.412 11.356 1.00 54.32 C ATOM 0 H LEU A 27 5.382 -11.949 12.623 1.00 13.11 H new ATOM 0 HA LEU A 27 7.147 -11.810 10.496 1.00 54.04 H new ATOM 0 HB2 LEU A 27 6.638 -13.588 12.816 1.00 53.32 H new ATOM 0 HB3 LEU A 27 7.554 -14.322 11.514 1.00 53.32 H new ATOM 0 HG LEU A 27 8.297 -11.775 12.981 1.00 52.23 H new ATOM 0 HD11 LEU A 27 10.139 -13.128 13.899 1.00 52.33 H new ATOM 0 HD12 LEU A 27 8.548 -13.775 14.365 1.00 52.33 H new ATOM 0 HD13 LEU A 27 9.487 -14.565 13.077 1.00 52.33 H new ATOM 0 HD21 LEU A 27 10.426 -11.948 11.752 1.00 54.32 H new ATOM 0 HD22 LEU A 27 9.785 -13.339 10.846 1.00 54.32 H new ATOM 0 HD23 LEU A 27 9.045 -11.732 10.651 1.00 54.32 H new ATOM 424 N LYS A 28 4.810 -14.079 10.094 1.00 4.42 N ATOM 425 CA LYS A 28 4.197 -14.978 9.124 1.00 42.33 C ATOM 426 C LYS A 28 4.061 -14.300 7.764 1.00 4.20 C ATOM 427 O LYS A 28 4.082 -14.960 6.725 1.00 64.50 O ATOM 428 CB LYS A 28 2.822 -15.434 9.618 1.00 44.43 C ATOM 429 CG LYS A 28 2.496 -16.874 9.263 1.00 32.15 C ATOM 430 CD LYS A 28 1.241 -17.352 9.975 1.00 61.53 C ATOM 431 CE LYS A 28 1.574 -18.309 11.109 1.00 21.32 C ATOM 432 NZ LYS A 28 0.372 -18.646 11.922 1.00 43.32 N ATOM 0 H LYS A 28 4.280 -13.967 10.958 1.00 4.42 H new ATOM 0 HA LYS A 28 4.844 -15.848 9.014 1.00 42.33 H new ATOM 0 HB2 LYS A 28 2.777 -15.316 10.701 1.00 44.43 H new ATOM 0 HB3 LYS A 28 2.058 -14.782 9.194 1.00 44.43 H new ATOM 0 HG2 LYS A 28 2.360 -16.962 8.185 1.00 32.15 H new ATOM 0 HG3 LYS A 28 3.335 -17.515 9.532 1.00 32.15 H new ATOM 0 HD2 LYS A 28 0.696 -16.494 10.369 1.00 61.53 H new ATOM 0 HD3 LYS A 28 0.583 -17.847 9.261 1.00 61.53 H new ATOM 0 HE2 LYS A 28 2.003 -19.223 10.699 1.00 21.32 H new ATOM 0 HE3 LYS A 28 2.333 -17.861 11.751 1.00 21.32 H new ATOM 0 HZ1 LYS A 28 0.641 -19.300 12.684 1.00 43.32 H new ATOM 0 HZ2 LYS A 28 -0.023 -17.777 12.335 1.00 43.32 H new ATOM 0 HZ3 LYS A 28 -0.342 -19.096 11.315 1.00 43.32 H new ATOM 446 N HIS A 29 3.923 -12.978 7.778 1.00 45.20 N ATOM 447 CA HIS A 29 3.787 -12.210 6.545 1.00 35.42 C ATOM 448 C HIS A 29 5.139 -12.034 5.862 1.00 62.54 C ATOM 449 O HIS A 29 5.235 -12.068 4.635 1.00 63.54 O ATOM 450 CB HIS A 29 3.168 -10.843 6.837 1.00 73.02 C ATOM 451 CG HIS A 29 2.120 -10.436 5.846 1.00 24.05 C ATOM 452 ND1 HIS A 29 1.989 -9.146 5.378 1.00 54.12 N ATOM 453 CD2 HIS A 29 1.153 -11.158 5.234 1.00 11.11 C ATOM 454 CE1 HIS A 29 0.984 -9.091 4.521 1.00 22.44 C ATOM 455 NE2 HIS A 29 0.460 -10.299 4.416 1.00 25.41 N ATOM 0 H HIS A 29 3.902 -12.416 8.629 1.00 45.20 H new ATOM 0 HA HIS A 29 3.130 -12.762 5.873 1.00 35.42 H new ATOM 0 HB2 HIS A 29 2.727 -10.858 7.834 1.00 73.02 H new ATOM 0 HB3 HIS A 29 3.957 -10.091 6.849 1.00 73.02 H new ATOM 0 HD2 HIS A 29 0.962 -12.213 5.364 1.00 11.11 H new ATOM 0 HE1 HIS A 29 0.649 -8.209 3.996 1.00 22.44 H new ATOM 0 HE2 HIS A 29 -0.331 -10.553 3.824 1.00 25.41 H new ATOM 463 N PHE A 30 6.182 -11.846 6.664 1.00 51.44 N ATOM 464 CA PHE A 30 7.529 -11.662 6.136 1.00 71.51 C ATOM 465 C PHE A 30 7.977 -12.892 5.351 1.00 5.13 C ATOM 466 O PHE A 30 8.496 -12.778 4.240 1.00 61.22 O ATOM 467 CB PHE A 30 8.512 -11.384 7.275 1.00 40.43 C ATOM 468 CG PHE A 30 9.865 -10.935 6.802 1.00 63.11 C ATOM 469 CD1 PHE A 30 10.095 -9.608 6.476 1.00 63.32 C ATOM 470 CD2 PHE A 30 10.907 -11.841 6.683 1.00 4.42 C ATOM 471 CE1 PHE A 30 11.340 -9.192 6.041 1.00 74.22 C ATOM 472 CE2 PHE A 30 12.154 -11.430 6.249 1.00 33.32 C ATOM 473 CZ PHE A 30 12.370 -10.105 5.926 1.00 12.24 C ATOM 0 H PHE A 30 6.120 -11.817 7.682 1.00 51.44 H new ATOM 0 HA PHE A 30 7.515 -10.806 5.461 1.00 71.51 H new ATOM 0 HB2 PHE A 30 8.092 -10.619 7.928 1.00 40.43 H new ATOM 0 HB3 PHE A 30 8.627 -12.287 7.874 1.00 40.43 H new ATOM 0 HD1 PHE A 30 9.293 -8.890 6.563 1.00 63.32 H new ATOM 0 HD2 PHE A 30 10.743 -12.879 6.932 1.00 4.42 H new ATOM 0 HE1 PHE A 30 11.507 -8.155 5.792 1.00 74.22 H new ATOM 0 HE2 PHE A 30 12.959 -12.145 6.163 1.00 33.32 H new ATOM 0 HZ PHE A 30 13.343 -9.783 5.584 1.00 12.24 H new ATOM 483 N LEU A 31 7.775 -14.067 5.938 1.00 51.44 N ATOM 484 CA LEU A 31 8.158 -15.319 5.295 1.00 45.32 C ATOM 485 C LEU A 31 7.217 -15.650 4.142 1.00 55.34 C ATOM 486 O LEU A 31 7.640 -16.176 3.112 1.00 2.23 O ATOM 487 CB LEU A 31 8.156 -16.460 6.314 1.00 41.42 C ATOM 488 CG LEU A 31 6.798 -16.817 6.918 1.00 33.00 C ATOM 489 CD1 LEU A 31 6.143 -17.942 6.131 1.00 10.14 C ATOM 490 CD2 LEU A 31 6.951 -17.206 8.381 1.00 15.33 C ATOM 0 H LEU A 31 7.348 -14.179 6.858 1.00 51.44 H new ATOM 0 HA LEU A 31 9.165 -15.199 4.894 1.00 45.32 H new ATOM 0 HB2 LEU A 31 8.563 -17.350 5.834 1.00 41.42 H new ATOM 0 HB3 LEU A 31 8.834 -16.197 7.126 1.00 41.42 H new ATOM 0 HG LEU A 31 6.154 -15.939 6.862 1.00 33.00 H new ATOM 0 HD11 LEU A 31 5.177 -18.183 6.576 1.00 10.14 H new ATOM 0 HD12 LEU A 31 5.998 -17.627 5.098 1.00 10.14 H new ATOM 0 HD13 LEU A 31 6.783 -18.824 6.155 1.00 10.14 H new ATOM 0 HD21 LEU A 31 5.974 -17.457 8.795 1.00 15.33 H new ATOM 0 HD22 LEU A 31 7.612 -18.069 8.461 1.00 15.33 H new ATOM 0 HD23 LEU A 31 7.377 -16.371 8.937 1.00 15.33 H new ATOM 502 N ASP A 32 5.938 -15.336 4.320 1.00 21.34 N ATOM 503 CA ASP A 32 4.936 -15.597 3.293 1.00 20.25 C ATOM 504 C ASP A 32 5.395 -15.065 1.939 1.00 34.42 C ATOM 505 O ASP A 32 5.344 -15.772 0.934 1.00 75.43 O ATOM 506 CB ASP A 32 3.601 -14.960 3.680 1.00 14.31 C ATOM 507 CG ASP A 32 2.616 -14.933 2.527 1.00 23.44 C ATOM 508 OD1 ASP A 32 2.211 -16.022 2.068 1.00 14.12 O ATOM 509 OD2 ASP A 32 2.251 -13.825 2.085 1.00 51.50 O ATOM 0 H ASP A 32 5.571 -14.900 5.166 1.00 21.34 H new ATOM 0 HA ASP A 32 4.805 -16.676 3.213 1.00 20.25 H new ATOM 0 HB2 ASP A 32 3.166 -15.513 4.513 1.00 14.31 H new ATOM 0 HB3 ASP A 32 3.775 -13.942 4.029 1.00 14.31 H new ATOM 514 N GLY A 33 5.842 -13.813 1.921 1.00 32.32 N ATOM 515 CA GLY A 33 6.302 -13.208 0.685 1.00 14.41 C ATOM 516 C GLY A 33 7.625 -13.779 0.217 1.00 61.04 C ATOM 517 O GLY A 33 7.930 -13.760 -0.975 1.00 23.40 O ATOM 0 H GLY A 33 5.894 -13.207 2.740 1.00 32.32 H new ATOM 0 HA2 GLY A 33 5.551 -13.357 -0.091 1.00 14.41 H new ATOM 0 HA3 GLY A 33 6.404 -12.132 0.827 1.00 14.41 H new ATOM 521 N GLY A 34 8.415 -14.288 1.158 1.00 51.53 N ATOM 522 CA GLY A 34 9.705 -14.858 0.815 1.00 13.12 C ATOM 523 C GLY A 34 9.594 -15.965 -0.215 1.00 1.34 C ATOM 524 O GLY A 34 10.519 -16.189 -0.995 1.00 33.13 O ATOM 0 H GLY A 34 8.185 -14.316 2.151 1.00 51.53 H new ATOM 0 HA2 GLY A 34 10.355 -14.072 0.431 1.00 13.12 H new ATOM 0 HA3 GLY A 34 10.177 -15.250 1.716 1.00 13.12 H new ATOM 528 N GLU A 35 8.460 -16.659 -0.216 1.00 3.23 N ATOM 529 CA GLU A 35 8.235 -17.750 -1.156 1.00 75.02 C ATOM 530 C GLU A 35 8.432 -17.279 -2.594 1.00 50.31 C ATOM 531 O GLU A 35 8.705 -18.079 -3.489 1.00 12.44 O ATOM 532 CB GLU A 35 6.824 -18.318 -0.983 1.00 64.33 C ATOM 533 CG GLU A 35 6.683 -19.241 0.216 1.00 53.14 C ATOM 534 CD GLU A 35 7.127 -20.659 -0.084 1.00 64.30 C ATOM 535 OE1 GLU A 35 7.003 -21.087 -1.251 1.00 11.24 O ATOM 536 OE2 GLU A 35 7.600 -21.342 0.849 1.00 3.31 O ATOM 0 H GLU A 35 7.684 -16.485 0.423 1.00 3.23 H new ATOM 0 HA GLU A 35 8.963 -18.533 -0.945 1.00 75.02 H new ATOM 0 HB2 GLU A 35 6.119 -17.493 -0.881 1.00 64.33 H new ATOM 0 HB3 GLU A 35 6.548 -18.863 -1.885 1.00 64.33 H new ATOM 0 HG2 GLU A 35 7.272 -18.847 1.044 1.00 53.14 H new ATOM 0 HG3 GLU A 35 5.643 -19.251 0.542 1.00 53.14 H new ATOM 543 N MET A 36 8.291 -15.974 -2.808 1.00 24.55 N ATOM 544 CA MET A 36 8.455 -15.396 -4.136 1.00 52.02 C ATOM 545 C MET A 36 9.924 -15.381 -4.546 1.00 21.42 C ATOM 546 O MET A 36 10.247 -15.435 -5.733 1.00 5.42 O ATOM 547 CB MET A 36 7.890 -13.975 -4.170 1.00 53.31 C ATOM 548 CG MET A 36 6.371 -13.924 -4.153 1.00 74.24 C ATOM 549 SD MET A 36 5.673 -13.478 -5.755 1.00 72.11 S ATOM 550 CE MET A 36 4.180 -14.467 -5.761 1.00 75.21 C ATOM 0 H MET A 36 8.064 -15.298 -2.079 1.00 24.55 H new ATOM 0 HA MET A 36 7.905 -16.016 -4.844 1.00 52.02 H new ATOM 0 HB2 MET A 36 8.274 -13.420 -3.314 1.00 53.31 H new ATOM 0 HB3 MET A 36 8.252 -13.470 -5.066 1.00 53.31 H new ATOM 0 HG2 MET A 36 5.982 -14.896 -3.849 1.00 74.24 H new ATOM 0 HG3 MET A 36 6.044 -13.202 -3.405 1.00 74.24 H new ATOM 0 HE1 MET A 36 3.637 -14.300 -6.691 1.00 75.21 H new ATOM 0 HE2 MET A 36 4.442 -15.522 -5.678 1.00 75.21 H new ATOM 0 HE3 MET A 36 3.551 -14.182 -4.917 1.00 75.21 H new ATOM 560 N ILE A 37 10.809 -15.309 -3.557 1.00 14.40 N ATOM 561 CA ILE A 37 12.243 -15.288 -3.816 1.00 11.23 C ATOM 562 C ILE A 37 12.734 -16.648 -4.299 1.00 21.20 C ATOM 563 O ILE A 37 13.726 -16.741 -5.022 1.00 61.21 O ATOM 564 CB ILE A 37 13.036 -14.885 -2.558 1.00 61.24 C ATOM 565 CG1 ILE A 37 14.292 -14.103 -2.950 1.00 33.24 C ATOM 566 CG2 ILE A 37 13.405 -16.118 -1.747 1.00 73.43 C ATOM 567 CD1 ILE A 37 13.996 -12.753 -3.564 1.00 13.12 C ATOM 0 H ILE A 37 10.558 -15.264 -2.569 1.00 14.40 H new ATOM 0 HA ILE A 37 12.412 -14.546 -4.596 1.00 11.23 H new ATOM 0 HB ILE A 37 12.408 -14.243 -1.940 1.00 61.24 H new ATOM 0 HG12 ILE A 37 14.913 -13.962 -2.066 1.00 33.24 H new ATOM 0 HG13 ILE A 37 14.873 -14.695 -3.657 1.00 33.24 H new ATOM 0 HG21 ILE A 37 13.965 -15.817 -0.862 1.00 73.43 H new ATOM 0 HG22 ILE A 37 12.497 -16.638 -1.443 1.00 73.43 H new ATOM 0 HG23 ILE A 37 14.018 -16.783 -2.355 1.00 73.43 H new ATOM 0 HD11 ILE A 37 14.932 -12.255 -3.817 1.00 13.12 H new ATOM 0 HD12 ILE A 37 13.401 -12.887 -4.467 1.00 13.12 H new ATOM 0 HD13 ILE A 37 13.442 -12.143 -2.851 1.00 13.12 H new ATOM 579 N VAL A 38 12.032 -17.702 -3.896 1.00 32.33 N ATOM 580 CA VAL A 38 12.394 -19.059 -4.290 1.00 1.52 C ATOM 581 C VAL A 38 11.951 -19.352 -5.719 1.00 23.43 C ATOM 582 O VAL A 38 12.755 -19.755 -6.560 1.00 25.41 O ATOM 583 CB VAL A 38 11.770 -20.103 -3.345 1.00 70.04 C ATOM 584 CG1 VAL A 38 12.315 -21.490 -3.648 1.00 63.33 C ATOM 585 CG2 VAL A 38 12.024 -19.727 -1.893 1.00 55.25 C ATOM 0 H VAL A 38 11.209 -17.643 -3.297 1.00 32.33 H new ATOM 0 HA VAL A 38 13.480 -19.128 -4.228 1.00 1.52 H new ATOM 0 HB VAL A 38 10.693 -20.118 -3.509 1.00 70.04 H new ATOM 0 HG11 VAL A 38 11.863 -22.215 -2.971 1.00 63.33 H new ATOM 0 HG12 VAL A 38 12.077 -21.758 -4.677 1.00 63.33 H new ATOM 0 HG13 VAL A 38 13.397 -21.493 -3.513 1.00 63.33 H new ATOM 0 HG21 VAL A 38 11.576 -20.476 -1.240 1.00 55.25 H new ATOM 0 HG22 VAL A 38 13.098 -19.682 -1.711 1.00 55.25 H new ATOM 0 HG23 VAL A 38 11.580 -18.753 -1.686 1.00 55.25 H new ATOM 595 N THR A 39 10.666 -19.148 -5.988 1.00 54.30 N ATOM 596 CA THR A 39 10.115 -19.391 -7.315 1.00 75.21 C ATOM 597 C THR A 39 10.965 -18.730 -8.393 1.00 63.15 C ATOM 598 O THR A 39 11.266 -19.338 -9.420 1.00 75.51 O ATOM 599 CB THR A 39 8.669 -18.871 -7.427 1.00 71.21 C ATOM 600 OG1 THR A 39 8.225 -18.947 -8.787 1.00 2.55 O ATOM 601 CG2 THR A 39 8.571 -17.435 -6.935 1.00 73.02 C ATOM 0 H THR A 39 9.987 -18.815 -5.304 1.00 54.30 H new ATOM 0 HA THR A 39 10.118 -20.471 -7.465 1.00 75.21 H new ATOM 0 HB THR A 39 8.032 -19.496 -6.802 1.00 71.21 H new ATOM 0 HG1 THR A 39 7.305 -18.616 -8.850 1.00 2.55 H new ATOM 0 HG21 THR A 39 7.541 -17.089 -7.024 1.00 73.02 H new ATOM 0 HG22 THR A 39 8.882 -17.386 -5.891 1.00 73.02 H new ATOM 0 HG23 THR A 39 9.220 -16.799 -7.537 1.00 73.02 H new ATOM 609 N ALA A 40 11.351 -17.481 -8.153 1.00 65.32 N ATOM 610 CA ALA A 40 12.170 -16.739 -9.103 1.00 45.22 C ATOM 611 C ALA A 40 13.463 -17.486 -9.415 1.00 54.15 C ATOM 612 O ALA A 40 13.929 -17.489 -10.554 1.00 61.12 O ATOM 613 CB ALA A 40 12.479 -15.351 -8.562 1.00 52.42 C ATOM 0 H ALA A 40 11.110 -16.962 -7.309 1.00 65.32 H new ATOM 0 HA ALA A 40 11.606 -16.639 -10.030 1.00 45.22 H new ATOM 0 HB1 ALA A 40 13.091 -14.808 -9.282 1.00 52.42 H new ATOM 0 HB2 ALA A 40 11.548 -14.809 -8.396 1.00 52.42 H new ATOM 0 HB3 ALA A 40 13.020 -15.440 -7.620 1.00 52.42 H new ATOM 619 N ALA A 41 14.037 -18.118 -8.397 1.00 15.43 N ATOM 620 CA ALA A 41 15.274 -18.869 -8.563 1.00 62.24 C ATOM 621 C ALA A 41 15.021 -20.193 -9.276 1.00 33.42 C ATOM 622 O ALA A 41 15.703 -20.528 -10.243 1.00 41.05 O ATOM 623 CB ALA A 41 15.930 -19.112 -7.212 1.00 44.32 C ATOM 0 H ALA A 41 13.664 -18.125 -7.448 1.00 15.43 H new ATOM 0 HA ALA A 41 15.949 -18.277 -9.181 1.00 62.24 H new ATOM 0 HB1 ALA A 41 16.853 -19.674 -7.352 1.00 44.32 H new ATOM 0 HB2 ALA A 41 16.155 -18.156 -6.740 1.00 44.32 H new ATOM 0 HB3 ALA A 41 15.252 -19.680 -6.575 1.00 44.32 H new ATOM 629 N GLU A 42 14.036 -20.943 -8.790 1.00 11.51 N ATOM 630 CA GLU A 42 13.695 -22.231 -9.381 1.00 35.34 C ATOM 631 C GLU A 42 13.423 -22.090 -10.876 1.00 3.34 C ATOM 632 O GLU A 42 14.026 -22.782 -11.696 1.00 72.41 O ATOM 633 CB GLU A 42 12.470 -22.829 -8.683 1.00 45.34 C ATOM 634 CG GLU A 42 12.797 -23.530 -7.375 1.00 52.34 C ATOM 635 CD GLU A 42 12.318 -24.968 -7.349 1.00 74.10 C ATOM 636 OE1 GLU A 42 11.123 -25.190 -7.059 1.00 2.43 O ATOM 637 OE2 GLU A 42 13.136 -25.872 -7.618 1.00 41.21 O ATOM 0 H GLU A 42 13.461 -20.680 -7.989 1.00 11.51 H new ATOM 0 HA GLU A 42 14.545 -22.900 -9.246 1.00 35.34 H new ATOM 0 HB2 GLU A 42 11.749 -22.035 -8.490 1.00 45.34 H new ATOM 0 HB3 GLU A 42 11.989 -23.539 -9.356 1.00 45.34 H new ATOM 0 HG2 GLU A 42 13.875 -23.507 -7.214 1.00 52.34 H new ATOM 0 HG3 GLU A 42 12.340 -22.984 -6.550 1.00 52.34 H new ATOM 644 N LYS A 43 12.512 -21.188 -11.223 1.00 13.43 N ATOM 645 CA LYS A 43 12.159 -20.953 -12.618 1.00 3.21 C ATOM 646 C LYS A 43 13.403 -20.659 -13.451 1.00 72.32 C ATOM 647 O LYS A 43 13.439 -20.942 -14.648 1.00 41.12 O ATOM 648 CB LYS A 43 11.173 -19.788 -12.727 1.00 74.12 C ATOM 649 CG LYS A 43 9.756 -20.220 -13.065 1.00 23.51 C ATOM 650 CD LYS A 43 8.867 -20.229 -11.833 1.00 10.21 C ATOM 651 CE LYS A 43 7.590 -21.019 -12.073 1.00 31.44 C ATOM 652 NZ LYS A 43 6.778 -20.439 -13.178 1.00 33.52 N ATOM 0 H LYS A 43 12.004 -20.607 -10.556 1.00 13.43 H new ATOM 0 HA LYS A 43 11.688 -21.857 -13.005 1.00 3.21 H new ATOM 0 HB2 LYS A 43 11.162 -19.243 -11.783 1.00 74.12 H new ATOM 0 HB3 LYS A 43 11.525 -19.095 -13.492 1.00 74.12 H new ATOM 0 HG2 LYS A 43 9.337 -19.545 -13.812 1.00 23.51 H new ATOM 0 HG3 LYS A 43 9.774 -21.215 -13.509 1.00 23.51 H new ATOM 0 HD2 LYS A 43 9.411 -20.661 -10.993 1.00 10.21 H new ATOM 0 HD3 LYS A 43 8.616 -19.205 -11.557 1.00 10.21 H new ATOM 0 HE2 LYS A 43 7.842 -22.052 -12.311 1.00 31.44 H new ATOM 0 HE3 LYS A 43 6.997 -21.038 -11.158 1.00 31.44 H new ATOM 0 HZ1 LYS A 43 5.871 -20.943 -13.243 1.00 33.52 H new ATOM 0 HZ2 LYS A 43 6.602 -19.432 -12.988 1.00 33.52 H new ATOM 0 HZ3 LYS A 43 7.294 -20.537 -14.076 1.00 33.52 H new ATOM 666 N GLU A 44 14.420 -20.092 -12.809 1.00 74.33 N ATOM 667 CA GLU A 44 15.665 -19.762 -13.493 1.00 14.12 C ATOM 668 C GLU A 44 16.730 -20.821 -13.225 1.00 73.44 C ATOM 669 O GLU A 44 16.439 -21.885 -12.678 1.00 41.41 O ATOM 670 CB GLU A 44 16.170 -18.390 -13.043 1.00 45.41 C ATOM 671 CG GLU A 44 15.137 -17.285 -13.181 1.00 15.33 C ATOM 672 CD GLU A 44 14.979 -16.808 -14.612 1.00 35.54 C ATOM 673 OE1 GLU A 44 16.010 -16.558 -15.270 1.00 72.52 O ATOM 674 OE2 GLU A 44 13.825 -16.685 -15.073 1.00 34.44 O ATOM 0 H GLU A 44 14.406 -19.852 -11.818 1.00 74.33 H new ATOM 0 HA GLU A 44 15.466 -19.735 -14.564 1.00 14.12 H new ATOM 0 HB2 GLU A 44 16.486 -18.452 -12.002 1.00 45.41 H new ATOM 0 HB3 GLU A 44 17.051 -18.127 -13.628 1.00 45.41 H new ATOM 0 HG2 GLU A 44 14.176 -17.644 -12.814 1.00 15.33 H new ATOM 0 HG3 GLU A 44 15.425 -16.443 -12.551 1.00 15.33 H new ATOM 681 N ALA A 45 17.964 -20.523 -13.617 1.00 3.24 N ATOM 682 CA ALA A 45 19.073 -21.448 -13.418 1.00 42.34 C ATOM 683 C ALA A 45 20.388 -20.838 -13.892 1.00 61.04 C ATOM 684 O ALA A 45 21.406 -20.924 -13.206 1.00 63.21 O ATOM 685 CB ALA A 45 18.804 -22.757 -14.145 1.00 23.43 C ATOM 0 H ALA A 45 18.221 -19.648 -14.074 1.00 3.24 H new ATOM 0 HA ALA A 45 19.160 -21.649 -12.350 1.00 42.34 H new ATOM 0 HB1 ALA A 45 19.640 -23.439 -13.988 1.00 23.43 H new ATOM 0 HB2 ALA A 45 17.891 -23.208 -13.757 1.00 23.43 H new ATOM 0 HB3 ALA A 45 18.689 -22.564 -15.212 1.00 23.43 H new ATOM 691 N SER A 46 20.359 -20.222 -15.070 1.00 61.51 N ATOM 692 CA SER A 46 21.550 -19.602 -15.638 1.00 24.20 C ATOM 693 C SER A 46 21.613 -18.120 -15.282 1.00 51.25 C ATOM 694 O SER A 46 21.985 -17.288 -16.110 1.00 32.13 O ATOM 695 CB SER A 46 21.566 -19.775 -17.158 1.00 53.20 C ATOM 696 OG SER A 46 21.838 -21.119 -17.516 1.00 12.30 O ATOM 0 H SER A 46 19.524 -20.139 -15.649 1.00 61.51 H new ATOM 0 HA SER A 46 22.424 -20.097 -15.215 1.00 24.20 H new ATOM 0 HB2 SER A 46 20.604 -19.473 -17.572 1.00 53.20 H new ATOM 0 HB3 SER A 46 22.320 -19.120 -17.594 1.00 53.20 H new ATOM 0 HG SER A 46 21.841 -21.203 -18.492 1.00 12.30 H new ATOM 702 N GLN A 47 21.246 -17.798 -14.046 1.00 62.40 N ATOM 703 CA GLN A 47 21.260 -16.417 -13.581 1.00 12.43 C ATOM 704 C GLN A 47 22.130 -16.270 -12.337 1.00 13.34 C ATOM 705 O GLN A 47 22.078 -17.099 -11.428 1.00 52.00 O ATOM 706 CB GLN A 47 19.836 -15.943 -13.281 1.00 64.20 C ATOM 707 CG GLN A 47 19.656 -14.439 -13.407 1.00 63.02 C ATOM 708 CD GLN A 47 19.357 -14.004 -14.828 1.00 70.34 C ATOM 709 OE1 GLN A 47 20.263 -13.866 -15.651 1.00 55.32 O ATOM 710 NE2 GLN A 47 18.081 -13.787 -15.125 1.00 0.42 N ATOM 0 H GLN A 47 20.935 -18.475 -13.349 1.00 62.40 H new ATOM 0 HA GLN A 47 21.682 -15.798 -14.373 1.00 12.43 H new ATOM 0 HB2 GLN A 47 19.145 -16.441 -13.961 1.00 64.20 H new ATOM 0 HB3 GLN A 47 19.565 -16.250 -12.271 1.00 64.20 H new ATOM 0 HG2 GLN A 47 18.844 -14.118 -12.754 1.00 63.02 H new ATOM 0 HG3 GLN A 47 20.560 -13.938 -13.060 1.00 63.02 H new ATOM 0 HE21 GLN A 47 17.363 -13.914 -14.412 1.00 0.42 H new ATOM 0 HE22 GLN A 47 17.819 -13.494 -16.066 1.00 0.42 H new ATOM 719 N LYS A 48 22.930 -15.209 -12.302 1.00 35.31 N ATOM 720 CA LYS A 48 23.811 -14.952 -11.169 1.00 50.13 C ATOM 721 C LYS A 48 23.008 -14.554 -9.935 1.00 24.44 C ATOM 722 O LYS A 48 23.369 -14.901 -8.810 1.00 12.25 O ATOM 723 CB LYS A 48 24.813 -13.848 -11.517 1.00 34.24 C ATOM 724 CG LYS A 48 25.561 -14.093 -12.815 1.00 64.12 C ATOM 725 CD LYS A 48 26.940 -13.454 -12.793 1.00 72.01 C ATOM 726 CE LYS A 48 26.850 -11.936 -12.755 1.00 32.24 C ATOM 727 NZ LYS A 48 27.613 -11.364 -11.611 1.00 32.11 N ATOM 0 H LYS A 48 22.986 -14.513 -13.046 1.00 35.31 H new ATOM 0 HA LYS A 48 24.354 -15.871 -10.946 1.00 50.13 H new ATOM 0 HB2 LYS A 48 24.284 -12.897 -11.586 1.00 34.24 H new ATOM 0 HB3 LYS A 48 25.533 -13.754 -10.705 1.00 34.24 H new ATOM 0 HG2 LYS A 48 25.659 -15.166 -12.983 1.00 64.12 H new ATOM 0 HG3 LYS A 48 24.986 -13.691 -13.649 1.00 64.12 H new ATOM 0 HD2 LYS A 48 27.493 -13.809 -11.923 1.00 72.01 H new ATOM 0 HD3 LYS A 48 27.500 -13.764 -13.675 1.00 72.01 H new ATOM 0 HE2 LYS A 48 27.234 -11.526 -13.689 1.00 32.24 H new ATOM 0 HE3 LYS A 48 25.805 -11.636 -12.681 1.00 32.24 H new ATOM 0 HZ1 LYS A 48 27.527 -10.328 -11.620 1.00 32.11 H new ATOM 0 HZ2 LYS A 48 27.230 -11.736 -10.718 1.00 32.11 H new ATOM 0 HZ3 LYS A 48 28.615 -11.629 -11.695 1.00 32.11 H new ATOM 741 N VAL A 49 21.918 -13.826 -10.152 1.00 73.43 N ATOM 742 CA VAL A 49 21.063 -13.384 -9.057 1.00 75.23 C ATOM 743 C VAL A 49 20.208 -14.531 -8.530 1.00 31.22 C ATOM 744 O VAL A 49 19.862 -14.569 -7.349 1.00 13.30 O ATOM 745 CB VAL A 49 20.140 -12.231 -9.496 1.00 5.02 C ATOM 746 CG1 VAL A 49 20.957 -11.081 -10.065 1.00 42.10 C ATOM 747 CG2 VAL A 49 19.118 -12.723 -10.509 1.00 43.35 C ATOM 0 H VAL A 49 21.606 -13.530 -11.077 1.00 73.43 H new ATOM 0 HA VAL A 49 21.722 -13.031 -8.264 1.00 75.23 H new ATOM 0 HB VAL A 49 19.602 -11.865 -8.621 1.00 5.02 H new ATOM 0 HG11 VAL A 49 20.289 -10.276 -10.370 1.00 42.10 H new ATOM 0 HG12 VAL A 49 21.646 -10.713 -9.305 1.00 42.10 H new ATOM 0 HG13 VAL A 49 21.523 -11.429 -10.929 1.00 42.10 H new ATOM 0 HG21 VAL A 49 18.475 -11.896 -10.808 1.00 43.35 H new ATOM 0 HG22 VAL A 49 19.634 -13.116 -11.385 1.00 43.35 H new ATOM 0 HG23 VAL A 49 18.512 -13.510 -10.061 1.00 43.35 H new ATOM 757 N ARG A 50 19.871 -15.466 -9.413 1.00 3.42 N ATOM 758 CA ARG A 50 19.056 -16.614 -9.036 1.00 62.34 C ATOM 759 C ARG A 50 19.604 -17.281 -7.778 1.00 1.42 C ATOM 760 O ARG A 50 18.871 -17.514 -6.818 1.00 0.53 O ATOM 761 CB ARG A 50 19.005 -17.627 -10.182 1.00 33.35 C ATOM 762 CG ARG A 50 18.393 -18.962 -9.787 1.00 52.43 C ATOM 763 CD ARG A 50 19.429 -20.074 -9.797 1.00 22.41 C ATOM 764 NE ARG A 50 19.899 -20.397 -8.452 1.00 52.51 N ATOM 765 CZ ARG A 50 20.664 -21.446 -8.173 1.00 4.54 C ATOM 766 NH1 ARG A 50 21.045 -22.269 -9.140 1.00 10.05 N ATOM 767 NH2 ARG A 50 21.051 -21.672 -6.924 1.00 22.22 N ATOM 0 H ARG A 50 20.150 -15.451 -10.394 1.00 3.42 H new ATOM 0 HA ARG A 50 18.047 -16.259 -8.827 1.00 62.34 H new ATOM 0 HB2 ARG A 50 18.431 -17.203 -11.006 1.00 33.35 H new ATOM 0 HB3 ARG A 50 20.016 -17.796 -10.552 1.00 33.35 H new ATOM 0 HG2 ARG A 50 17.953 -18.882 -8.793 1.00 52.43 H new ATOM 0 HG3 ARG A 50 17.584 -19.210 -10.474 1.00 52.43 H new ATOM 0 HD2 ARG A 50 19.000 -20.965 -10.255 1.00 22.41 H new ATOM 0 HD3 ARG A 50 20.276 -19.775 -10.415 1.00 22.41 H new ATOM 0 HE ARG A 50 19.624 -19.783 -7.685 1.00 52.51 H new ATOM 0 HH11 ARG A 50 20.751 -22.097 -10.101 1.00 10.05 H new ATOM 0 HH12 ARG A 50 21.633 -23.074 -8.923 1.00 10.05 H new ATOM 0 HH21 ARG A 50 20.761 -21.040 -6.178 1.00 22.22 H new ATOM 0 HH22 ARG A 50 21.639 -22.478 -6.710 1.00 22.22 H new ATOM 781 N ASN A 51 20.898 -17.585 -7.791 1.00 32.20 N ATOM 782 CA ASN A 51 21.544 -18.226 -6.651 1.00 52.22 C ATOM 783 C ASN A 51 21.503 -17.321 -5.423 1.00 73.24 C ATOM 784 O ASN A 51 21.512 -17.797 -4.287 1.00 65.02 O ATOM 785 CB ASN A 51 22.994 -18.577 -6.991 1.00 74.23 C ATOM 786 CG ASN A 51 23.558 -19.650 -6.080 1.00 14.13 C ATOM 787 OD1 ASN A 51 23.156 -19.771 -4.922 1.00 51.23 O ATOM 788 ND2 ASN A 51 24.494 -20.435 -6.599 1.00 44.11 N ATOM 0 H ASN A 51 21.520 -17.398 -8.578 1.00 32.20 H new ATOM 0 HA ASN A 51 20.999 -19.142 -6.424 1.00 52.22 H new ATOM 0 HB2 ASN A 51 23.050 -18.916 -8.025 1.00 74.23 H new ATOM 0 HB3 ASN A 51 23.609 -17.680 -6.916 1.00 74.23 H new ATOM 0 HD21 ASN A 51 24.911 -21.175 -6.033 1.00 44.11 H new ATOM 0 HD22 ASN A 51 24.797 -20.299 -7.563 1.00 44.11 H new ATOM 795 N LEU A 52 21.456 -16.015 -5.659 1.00 42.34 N ATOM 796 CA LEU A 52 21.413 -15.042 -4.573 1.00 73.00 C ATOM 797 C LEU A 52 20.009 -14.945 -3.984 1.00 71.54 C ATOM 798 O LEU A 52 19.840 -14.658 -2.799 1.00 15.52 O ATOM 799 CB LEU A 52 21.864 -13.669 -5.073 1.00 52.34 C ATOM 800 CG LEU A 52 22.447 -12.728 -4.018 1.00 65.42 C ATOM 801 CD1 LEU A 52 23.663 -13.358 -3.355 1.00 74.34 C ATOM 802 CD2 LEU A 52 22.812 -11.389 -4.641 1.00 10.40 C ATOM 0 H LEU A 52 21.447 -15.605 -6.593 1.00 42.34 H new ATOM 0 HA LEU A 52 22.093 -15.378 -3.791 1.00 73.00 H new ATOM 0 HB2 LEU A 52 22.612 -13.816 -5.852 1.00 52.34 H new ATOM 0 HB3 LEU A 52 21.011 -13.176 -5.539 1.00 52.34 H new ATOM 0 HG LEU A 52 21.689 -12.556 -3.254 1.00 65.42 H new ATOM 0 HD11 LEU A 52 24.065 -12.674 -2.607 1.00 74.34 H new ATOM 0 HD12 LEU A 52 23.372 -14.292 -2.874 1.00 74.34 H new ATOM 0 HD13 LEU A 52 24.424 -13.560 -4.108 1.00 74.34 H new ATOM 0 HD21 LEU A 52 23.225 -10.732 -3.876 1.00 10.40 H new ATOM 0 HD22 LEU A 52 23.553 -11.543 -5.426 1.00 10.40 H new ATOM 0 HD23 LEU A 52 21.920 -10.931 -5.069 1.00 10.40 H new ATOM 814 N LEU A 53 19.005 -15.190 -4.819 1.00 51.03 N ATOM 815 CA LEU A 53 17.615 -15.133 -4.381 1.00 75.04 C ATOM 816 C LEU A 53 17.356 -16.132 -3.258 1.00 2.32 C ATOM 817 O LEU A 53 16.738 -15.798 -2.246 1.00 52.01 O ATOM 818 CB LEU A 53 16.677 -15.416 -5.557 1.00 22.54 C ATOM 819 CG LEU A 53 16.561 -14.309 -6.605 1.00 22.33 C ATOM 820 CD1 LEU A 53 15.756 -14.790 -7.802 1.00 40.10 C ATOM 821 CD2 LEU A 53 15.928 -13.065 -5.999 1.00 20.34 C ATOM 0 H LEU A 53 19.128 -15.430 -5.803 1.00 51.03 H new ATOM 0 HA LEU A 53 17.420 -14.130 -4.002 1.00 75.04 H new ATOM 0 HB2 LEU A 53 17.015 -16.325 -6.054 1.00 22.54 H new ATOM 0 HB3 LEU A 53 15.682 -15.620 -5.161 1.00 22.54 H new ATOM 0 HG LEU A 53 17.564 -14.052 -6.947 1.00 22.33 H new ATOM 0 HD11 LEU A 53 15.684 -13.989 -8.538 1.00 40.10 H new ATOM 0 HD12 LEU A 53 16.251 -15.651 -8.251 1.00 40.10 H new ATOM 0 HD13 LEU A 53 14.755 -15.075 -7.477 1.00 40.10 H new ATOM 0 HD21 LEU A 53 15.853 -12.288 -6.759 1.00 20.34 H new ATOM 0 HD22 LEU A 53 14.932 -13.307 -5.629 1.00 20.34 H new ATOM 0 HD23 LEU A 53 16.545 -12.708 -5.174 1.00 20.34 H new ATOM 833 N LEU A 54 17.835 -17.357 -3.441 1.00 22.12 N ATOM 834 CA LEU A 54 17.658 -18.405 -2.441 1.00 43.13 C ATOM 835 C LEU A 54 18.610 -18.203 -1.266 1.00 50.05 C ATOM 836 O LEU A 54 18.229 -18.377 -0.108 1.00 41.33 O ATOM 837 CB LEU A 54 17.890 -19.780 -3.069 1.00 72.43 C ATOM 838 CG LEU A 54 17.207 -20.027 -4.415 1.00 65.22 C ATOM 839 CD1 LEU A 54 18.225 -20.465 -5.457 1.00 70.12 C ATOM 840 CD2 LEU A 54 16.106 -21.068 -4.272 1.00 43.31 C ATOM 0 H LEU A 54 18.349 -17.650 -4.272 1.00 22.12 H new ATOM 0 HA LEU A 54 16.635 -18.350 -2.069 1.00 43.13 H new ATOM 0 HB2 LEU A 54 18.963 -19.922 -3.197 1.00 72.43 H new ATOM 0 HB3 LEU A 54 17.549 -20.540 -2.366 1.00 72.43 H new ATOM 0 HG LEU A 54 16.755 -19.093 -4.748 1.00 65.22 H new ATOM 0 HD11 LEU A 54 17.721 -20.636 -6.408 1.00 70.12 H new ATOM 0 HD12 LEU A 54 18.978 -19.686 -5.580 1.00 70.12 H new ATOM 0 HD13 LEU A 54 18.706 -21.387 -5.130 1.00 70.12 H new ATOM 0 HD21 LEU A 54 15.631 -21.231 -5.240 1.00 43.31 H new ATOM 0 HD22 LEU A 54 16.535 -22.005 -3.916 1.00 43.31 H new ATOM 0 HD23 LEU A 54 15.362 -20.715 -3.558 1.00 43.31 H new ATOM 852 N HIS A 55 19.850 -17.833 -1.572 1.00 74.04 N ATOM 853 CA HIS A 55 20.856 -17.604 -0.541 1.00 74.24 C ATOM 854 C HIS A 55 20.415 -16.496 0.411 1.00 64.41 C ATOM 855 O HIS A 55 20.427 -16.670 1.630 1.00 54.12 O ATOM 856 CB HIS A 55 22.197 -17.241 -1.179 1.00 72.24 C ATOM 857 CG HIS A 55 23.284 -16.981 -0.182 1.00 54.12 C ATOM 858 ND1 HIS A 55 23.845 -17.972 0.595 1.00 14.24 N ATOM 859 CD2 HIS A 55 23.914 -15.833 0.161 1.00 31.30 C ATOM 860 CE1 HIS A 55 24.772 -17.445 1.375 1.00 13.20 C ATOM 861 NE2 HIS A 55 24.834 -16.148 1.131 1.00 71.24 N ATOM 0 H HIS A 55 20.182 -17.686 -2.525 1.00 74.04 H new ATOM 0 HA HIS A 55 20.972 -18.525 0.030 1.00 74.24 H new ATOM 0 HB2 HIS A 55 22.507 -18.051 -1.839 1.00 72.24 H new ATOM 0 HB3 HIS A 55 22.066 -16.355 -1.801 1.00 72.24 H new ATOM 0 HD2 HIS A 55 23.728 -14.852 -0.251 1.00 31.30 H new ATOM 0 HE1 HIS A 55 25.376 -17.983 2.090 1.00 13.20 H new ATOM 0 HE2 HIS A 55 25.463 -15.488 1.589 1.00 71.24 H new ATOM 869 N LYS A 56 20.029 -15.357 -0.153 1.00 73.20 N ATOM 870 CA LYS A 56 19.584 -14.220 0.645 1.00 62.45 C ATOM 871 C LYS A 56 18.172 -14.447 1.176 1.00 64.24 C ATOM 872 O LYS A 56 17.836 -14.015 2.277 1.00 23.34 O ATOM 873 CB LYS A 56 19.627 -12.938 -0.190 1.00 32.14 C ATOM 874 CG LYS A 56 21.023 -12.362 -0.348 1.00 42.22 C ATOM 875 CD LYS A 56 21.001 -10.843 -0.367 1.00 54.44 C ATOM 876 CE LYS A 56 20.880 -10.305 -1.785 1.00 43.21 C ATOM 877 NZ LYS A 56 19.574 -10.661 -2.405 1.00 31.44 N ATOM 0 H LYS A 56 20.015 -15.196 -1.160 1.00 73.20 H new ATOM 0 HA LYS A 56 20.260 -14.117 1.494 1.00 62.45 H new ATOM 0 HB2 LYS A 56 19.214 -13.144 -1.178 1.00 32.14 H new ATOM 0 HB3 LYS A 56 18.985 -12.190 0.275 1.00 32.14 H new ATOM 0 HG2 LYS A 56 21.655 -12.707 0.470 1.00 42.22 H new ATOM 0 HG3 LYS A 56 21.468 -12.732 -1.272 1.00 42.22 H new ATOM 0 HD2 LYS A 56 20.165 -10.483 0.233 1.00 54.44 H new ATOM 0 HD3 LYS A 56 21.912 -10.459 0.093 1.00 54.44 H new ATOM 0 HE2 LYS A 56 20.992 -9.221 -1.773 1.00 43.21 H new ATOM 0 HE3 LYS A 56 21.691 -10.703 -2.395 1.00 43.21 H new ATOM 0 HZ1 LYS A 56 19.398 -10.043 -3.223 1.00 31.44 H new ATOM 0 HZ2 LYS A 56 19.598 -11.652 -2.719 1.00 31.44 H new ATOM 0 HZ3 LYS A 56 18.813 -10.537 -1.707 1.00 31.44 H new ATOM 891 N GLY A 57 17.350 -15.129 0.384 1.00 34.34 N ATOM 892 CA GLY A 57 15.984 -15.403 0.793 1.00 2.42 C ATOM 893 C GLY A 57 15.913 -16.277 2.030 1.00 42.53 C ATOM 894 O GLY A 57 15.089 -16.048 2.915 1.00 54.41 O ATOM 0 H GLY A 57 17.605 -15.496 -0.533 1.00 34.34 H new ATOM 0 HA2 GLY A 57 15.470 -14.461 0.987 1.00 2.42 H new ATOM 0 HA3 GLY A 57 15.454 -15.892 -0.025 1.00 2.42 H new ATOM 898 N LYS A 58 16.779 -17.283 2.092 1.00 54.24 N ATOM 899 CA LYS A 58 16.812 -18.196 3.228 1.00 15.42 C ATOM 900 C LYS A 58 17.439 -17.525 4.446 1.00 31.33 C ATOM 901 O LYS A 58 17.080 -17.826 5.584 1.00 24.33 O ATOM 902 CB LYS A 58 17.594 -19.461 2.870 1.00 72.12 C ATOM 903 CG LYS A 58 18.495 -19.956 3.988 1.00 73.41 C ATOM 904 CD LYS A 58 19.841 -19.251 3.973 1.00 35.14 C ATOM 905 CE LYS A 58 20.973 -20.218 3.663 1.00 40.21 C ATOM 906 NZ LYS A 58 20.766 -20.916 2.364 1.00 33.11 N ATOM 0 H LYS A 58 17.468 -17.487 1.368 1.00 54.24 H new ATOM 0 HA LYS A 58 15.786 -18.469 3.473 1.00 15.42 H new ATOM 0 HB2 LYS A 58 16.890 -20.250 2.605 1.00 72.12 H new ATOM 0 HB3 LYS A 58 18.200 -19.265 1.986 1.00 72.12 H new ATOM 0 HG2 LYS A 58 18.008 -19.791 4.949 1.00 73.41 H new ATOM 0 HG3 LYS A 58 18.645 -21.031 3.887 1.00 73.41 H new ATOM 0 HD2 LYS A 58 19.827 -18.454 3.229 1.00 35.14 H new ATOM 0 HD3 LYS A 58 20.017 -18.781 4.940 1.00 35.14 H new ATOM 0 HE2 LYS A 58 21.918 -19.675 3.637 1.00 40.21 H new ATOM 0 HE3 LYS A 58 21.051 -20.955 4.463 1.00 40.21 H new ATOM 0 HZ1 LYS A 58 21.683 -21.233 1.990 1.00 33.11 H new ATOM 0 HZ2 LYS A 58 20.147 -21.740 2.507 1.00 33.11 H new ATOM 0 HZ3 LYS A 58 20.322 -20.264 1.686 1.00 33.11 H new ATOM 920 N GLU A 59 18.375 -16.615 4.199 1.00 45.04 N ATOM 921 CA GLU A 59 19.051 -15.902 5.276 1.00 22.35 C ATOM 922 C GLU A 59 18.143 -14.831 5.873 1.00 1.04 C ATOM 923 O GLU A 59 17.882 -14.823 7.076 1.00 14.34 O ATOM 924 CB GLU A 59 20.343 -15.263 4.764 1.00 65.33 C ATOM 925 CG GLU A 59 21.138 -14.547 5.843 1.00 52.44 C ATOM 926 CD GLU A 59 21.183 -15.321 7.145 1.00 20.25 C ATOM 927 OE1 GLU A 59 21.470 -16.536 7.105 1.00 40.34 O ATOM 928 OE2 GLU A 59 20.931 -14.712 8.206 1.00 5.22 O ATOM 0 H GLU A 59 18.683 -16.354 3.262 1.00 45.04 H new ATOM 0 HA GLU A 59 19.296 -16.623 6.056 1.00 22.35 H new ATOM 0 HB2 GLU A 59 20.968 -16.036 4.317 1.00 65.33 H new ATOM 0 HB3 GLU A 59 20.099 -14.553 3.973 1.00 65.33 H new ATOM 0 HG2 GLU A 59 22.155 -14.380 5.489 1.00 52.44 H new ATOM 0 HG3 GLU A 59 20.698 -13.566 6.023 1.00 52.44 H new ATOM 935 N VAL A 60 17.665 -13.928 5.023 1.00 5.53 N ATOM 936 CA VAL A 60 16.786 -12.852 5.465 1.00 4.43 C ATOM 937 C VAL A 60 15.607 -13.398 6.262 1.00 53.24 C ATOM 938 O VAL A 60 15.098 -12.739 7.169 1.00 15.32 O ATOM 939 CB VAL A 60 16.253 -12.037 4.272 1.00 11.30 C ATOM 940 CG1 VAL A 60 17.403 -11.422 3.488 1.00 14.14 C ATOM 941 CG2 VAL A 60 15.391 -12.911 3.373 1.00 4.22 C ATOM 0 H VAL A 60 17.872 -13.920 4.024 1.00 5.53 H new ATOM 0 HA VAL A 60 17.381 -12.199 6.104 1.00 4.43 H new ATOM 0 HB VAL A 60 15.633 -11.227 4.656 1.00 11.30 H new ATOM 0 HG11 VAL A 60 17.007 -10.850 2.649 1.00 14.14 H new ATOM 0 HG12 VAL A 60 17.975 -10.761 4.139 1.00 14.14 H new ATOM 0 HG13 VAL A 60 18.052 -12.213 3.113 1.00 14.14 H new ATOM 0 HG21 VAL A 60 15.023 -12.319 2.535 1.00 4.22 H new ATOM 0 HG22 VAL A 60 15.986 -13.743 2.996 1.00 4.22 H new ATOM 0 HG23 VAL A 60 14.546 -13.298 3.943 1.00 4.22 H new ATOM 951 N LEU A 61 15.176 -14.606 5.917 1.00 64.41 N ATOM 952 CA LEU A 61 14.056 -15.243 6.600 1.00 32.21 C ATOM 953 C LEU A 61 14.473 -15.747 7.978 1.00 64.32 C ATOM 954 O LEU A 61 13.678 -15.745 8.917 1.00 43.31 O ATOM 955 CB LEU A 61 13.515 -16.403 5.762 1.00 32.24 C ATOM 956 CG LEU A 61 12.134 -16.194 5.139 1.00 64.22 C ATOM 957 CD1 LEU A 61 12.261 -15.557 3.764 1.00 71.34 C ATOM 958 CD2 LEU A 61 11.384 -17.515 5.050 1.00 52.11 C ATOM 0 H LEU A 61 15.585 -15.164 5.168 1.00 64.41 H new ATOM 0 HA LEU A 61 13.270 -14.498 6.729 1.00 32.21 H new ATOM 0 HB2 LEU A 61 14.225 -16.609 4.961 1.00 32.24 H new ATOM 0 HB3 LEU A 61 13.477 -17.293 6.391 1.00 32.24 H new ATOM 0 HG LEU A 61 11.565 -15.519 5.779 1.00 64.22 H new ATOM 0 HD11 LEU A 61 11.269 -15.416 3.335 1.00 71.34 H new ATOM 0 HD12 LEU A 61 12.758 -14.591 3.855 1.00 71.34 H new ATOM 0 HD13 LEU A 61 12.847 -16.207 3.115 1.00 71.34 H new ATOM 0 HD21 LEU A 61 10.403 -17.347 4.604 1.00 52.11 H new ATOM 0 HD22 LEU A 61 11.949 -18.213 4.432 1.00 52.11 H new ATOM 0 HD23 LEU A 61 11.262 -17.932 6.050 1.00 52.11 H new ATOM 970 N GLU A 62 15.726 -16.177 8.090 1.00 24.14 N ATOM 971 CA GLU A 62 16.249 -16.683 9.354 1.00 2.43 C ATOM 972 C GLU A 62 16.669 -15.534 10.268 1.00 72.34 C ATOM 973 O GLU A 62 16.567 -15.631 11.491 1.00 74.14 O ATOM 974 CB GLU A 62 17.439 -17.611 9.105 1.00 64.25 C ATOM 975 CG GLU A 62 17.044 -19.063 8.890 1.00 4.33 C ATOM 976 CD GLU A 62 18.214 -20.015 9.049 1.00 52.13 C ATOM 977 OE1 GLU A 62 18.964 -20.201 8.067 1.00 13.14 O ATOM 978 OE2 GLU A 62 18.379 -20.574 10.153 1.00 70.11 O ATOM 0 H GLU A 62 16.397 -16.185 7.322 1.00 24.14 H new ATOM 0 HA GLU A 62 15.456 -17.246 9.846 1.00 2.43 H new ATOM 0 HB2 GLU A 62 17.987 -17.259 8.231 1.00 64.25 H new ATOM 0 HB3 GLU A 62 18.120 -17.550 9.954 1.00 64.25 H new ATOM 0 HG2 GLU A 62 16.262 -19.332 9.600 1.00 4.33 H new ATOM 0 HG3 GLU A 62 16.621 -19.177 7.892 1.00 4.33 H new ATOM 985 N TRP A 63 17.141 -14.450 9.665 1.00 43.52 N ATOM 986 CA TRP A 63 17.577 -13.283 10.423 1.00 4.53 C ATOM 987 C TRP A 63 16.381 -12.486 10.933 1.00 61.41 C ATOM 988 O TRP A 63 16.327 -12.111 12.103 1.00 2.35 O ATOM 989 CB TRP A 63 18.468 -12.390 9.558 1.00 44.01 C ATOM 990 CG TRP A 63 19.325 -11.454 10.356 1.00 64.25 C ATOM 991 CD1 TRP A 63 20.058 -11.760 11.467 1.00 13.41 C ATOM 992 CD2 TRP A 63 19.537 -10.061 10.104 1.00 50.23 C ATOM 993 NE1 TRP A 63 20.712 -10.640 11.921 1.00 12.14 N ATOM 994 CE2 TRP A 63 20.410 -9.585 11.102 1.00 54.21 C ATOM 995 CE3 TRP A 63 19.076 -9.169 9.131 1.00 22.32 C ATOM 996 CZ2 TRP A 63 20.827 -8.258 11.154 1.00 45.32 C ATOM 997 CZ3 TRP A 63 19.492 -7.852 9.184 1.00 34.53 C ATOM 998 CH2 TRP A 63 20.361 -7.407 10.189 1.00 14.21 C ATOM 0 H TRP A 63 17.232 -14.354 8.654 1.00 43.52 H new ATOM 0 HA TRP A 63 18.150 -13.633 11.282 1.00 4.53 H new ATOM 0 HB2 TRP A 63 19.108 -13.018 8.939 1.00 44.01 H new ATOM 0 HB3 TRP A 63 17.841 -11.809 8.882 1.00 44.01 H new ATOM 0 HD1 TRP A 63 20.115 -12.738 11.922 1.00 13.41 H new ATOM 0 HE1 TRP A 63 21.324 -10.601 12.736 1.00 12.14 H new ATOM 0 HE3 TRP A 63 18.407 -9.503 8.352 1.00 22.32 H new ATOM 0 HZ2 TRP A 63 21.495 -7.912 11.929 1.00 45.32 H new ATOM 0 HZ3 TRP A 63 19.141 -7.154 8.438 1.00 34.53 H new ATOM 0 HH2 TRP A 63 20.669 -6.372 10.202 1.00 14.21 H new ATOM 1009 N ALA A 64 15.424 -12.233 10.047 1.00 54.33 N ATOM 1010 CA ALA A 64 14.227 -11.483 10.408 1.00 21.15 C ATOM 1011 C ALA A 64 13.572 -12.064 11.657 1.00 10.21 C ATOM 1012 O ALA A 64 13.012 -11.332 12.472 1.00 0.42 O ATOM 1013 CB ALA A 64 13.241 -11.471 9.250 1.00 62.43 C ATOM 0 H ALA A 64 15.454 -12.536 9.074 1.00 54.33 H new ATOM 0 HA ALA A 64 14.524 -10.457 10.628 1.00 21.15 H new ATOM 0 HB1 ALA A 64 12.352 -10.907 9.535 1.00 62.43 H new ATOM 0 HB2 ALA A 64 13.705 -11.003 8.382 1.00 62.43 H new ATOM 0 HB3 ALA A 64 12.958 -12.494 9.003 1.00 62.43 H new ATOM 1019 N GLU A 65 13.646 -13.383 11.799 1.00 32.52 N ATOM 1020 CA GLU A 65 13.058 -14.061 12.949 1.00 72.34 C ATOM 1021 C GLU A 65 13.928 -13.883 14.189 1.00 2.03 C ATOM 1022 O GLU A 65 13.425 -13.825 15.312 1.00 74.04 O ATOM 1023 CB GLU A 65 12.874 -15.551 12.651 1.00 12.11 C ATOM 1024 CG GLU A 65 11.994 -15.826 11.443 1.00 64.21 C ATOM 1025 CD GLU A 65 12.118 -17.253 10.944 1.00 2.13 C ATOM 1026 OE1 GLU A 65 13.246 -17.790 10.958 1.00 12.30 O ATOM 1027 OE2 GLU A 65 11.089 -17.832 10.540 1.00 34.23 O ATOM 0 H GLU A 65 14.107 -14.003 11.133 1.00 32.52 H new ATOM 0 HA GLU A 65 12.083 -13.613 13.143 1.00 72.34 H new ATOM 0 HB2 GLU A 65 13.852 -16.004 12.488 1.00 12.11 H new ATOM 0 HB3 GLU A 65 12.439 -16.037 13.525 1.00 12.11 H new ATOM 0 HG2 GLU A 65 10.955 -15.625 11.702 1.00 64.21 H new ATOM 0 HG3 GLU A 65 12.261 -15.140 10.640 1.00 64.21 H new ATOM 1034 N HIS A 66 15.238 -13.797 13.979 1.00 71.12 N ATOM 1035 CA HIS A 66 16.179 -13.625 15.080 1.00 64.45 C ATOM 1036 C HIS A 66 15.883 -12.344 15.853 1.00 21.10 C ATOM 1037 O HIS A 66 15.684 -12.372 17.068 1.00 24.13 O ATOM 1038 CB HIS A 66 17.614 -13.596 14.551 1.00 0.14 C ATOM 1039 CG HIS A 66 18.480 -14.684 15.109 1.00 52.35 C ATOM 1040 ND1 HIS A 66 18.672 -14.875 16.461 1.00 55.14 N ATOM 1041 CD2 HIS A 66 19.206 -15.643 14.488 1.00 52.32 C ATOM 1042 CE1 HIS A 66 19.479 -15.903 16.647 1.00 24.34 C ATOM 1043 NE2 HIS A 66 19.818 -16.387 15.466 1.00 74.40 N ATOM 0 H HIS A 66 15.672 -13.844 13.057 1.00 71.12 H new ATOM 0 HA HIS A 66 16.066 -14.471 15.758 1.00 64.45 H new ATOM 0 HB2 HIS A 66 17.594 -13.680 13.464 1.00 0.14 H new ATOM 0 HB3 HIS A 66 18.060 -12.630 14.788 1.00 0.14 H new ATOM 0 HD2 HIS A 66 19.288 -15.795 13.422 1.00 52.32 H new ATOM 0 HE1 HIS A 66 19.807 -16.284 17.603 1.00 24.34 H new ATOM 0 HE2 HIS A 66 20.434 -17.184 15.306 1.00 74.40 H new ATOM 1051 N LEU A 67 15.856 -11.222 15.142 1.00 72.52 N ATOM 1052 CA LEU A 67 15.584 -9.930 15.762 1.00 64.05 C ATOM 1053 C LEU A 67 14.127 -9.831 16.199 1.00 34.43 C ATOM 1054 O LEU A 67 13.822 -9.280 17.256 1.00 14.31 O ATOM 1055 CB LEU A 67 15.915 -8.797 14.789 1.00 55.52 C ATOM 1056 CG LEU A 67 15.012 -8.682 13.560 1.00 72.41 C ATOM 1057 CD1 LEU A 67 13.875 -7.707 13.822 1.00 75.33 C ATOM 1058 CD2 LEU A 67 15.818 -8.250 12.344 1.00 23.00 C ATOM 0 H LEU A 67 16.019 -11.181 14.136 1.00 72.52 H new ATOM 0 HA LEU A 67 16.215 -9.839 16.646 1.00 64.05 H new ATOM 0 HB2 LEU A 67 15.875 -7.854 15.334 1.00 55.52 H new ATOM 0 HB3 LEU A 67 16.943 -8.925 14.449 1.00 55.52 H new ATOM 0 HG LEU A 67 14.582 -9.663 13.356 1.00 72.41 H new ATOM 0 HD11 LEU A 67 13.243 -7.638 12.936 1.00 75.33 H new ATOM 0 HD12 LEU A 67 13.281 -8.059 14.665 1.00 75.33 H new ATOM 0 HD13 LEU A 67 14.285 -6.724 14.052 1.00 75.33 H new ATOM 0 HD21 LEU A 67 15.159 -8.174 11.479 1.00 23.00 H new ATOM 0 HD22 LEU A 67 16.277 -7.280 12.537 1.00 23.00 H new ATOM 0 HD23 LEU A 67 16.596 -8.986 12.143 1.00 23.00 H new ATOM 1070 N ALA A 68 13.230 -10.372 15.380 1.00 3.22 N ATOM 1071 CA ALA A 68 11.805 -10.348 15.685 1.00 61.51 C ATOM 1072 C ALA A 68 11.506 -11.113 16.970 1.00 11.30 C ATOM 1073 O ALA A 68 10.526 -10.828 17.658 1.00 4.41 O ATOM 1074 CB ALA A 68 11.008 -10.928 14.526 1.00 61.52 C ATOM 0 H ALA A 68 13.466 -10.832 14.501 1.00 3.22 H new ATOM 0 HA ALA A 68 11.507 -9.310 15.833 1.00 61.51 H new ATOM 0 HB1 ALA A 68 9.945 -10.904 14.767 1.00 61.52 H new ATOM 0 HB2 ALA A 68 11.190 -10.338 13.628 1.00 61.52 H new ATOM 0 HB3 ALA A 68 11.317 -11.959 14.351 1.00 61.52 H new ATOM 1080 N GLU A 69 12.356 -12.085 17.287 1.00 54.23 N ATOM 1081 CA GLU A 69 12.180 -12.891 18.489 1.00 13.31 C ATOM 1082 C GLU A 69 12.702 -12.154 19.719 1.00 15.42 C ATOM 1083 O GLU A 69 12.286 -12.431 20.844 1.00 1.23 O ATOM 1084 CB GLU A 69 12.901 -14.232 18.341 1.00 74.21 C ATOM 1085 CG GLU A 69 12.125 -15.253 17.526 1.00 73.31 C ATOM 1086 CD GLU A 69 11.763 -16.488 18.329 1.00 3.31 C ATOM 1087 OE1 GLU A 69 11.558 -16.358 19.554 1.00 24.53 O ATOM 1088 OE2 GLU A 69 11.686 -17.582 17.733 1.00 33.22 O ATOM 0 H GLU A 69 13.173 -12.333 16.728 1.00 54.23 H new ATOM 0 HA GLU A 69 11.113 -13.073 18.621 1.00 13.31 H new ATOM 0 HB2 GLU A 69 13.870 -14.064 17.870 1.00 74.21 H new ATOM 0 HB3 GLU A 69 13.095 -14.642 19.332 1.00 74.21 H new ATOM 0 HG2 GLU A 69 11.214 -14.792 17.146 1.00 73.31 H new ATOM 0 HG3 GLU A 69 12.718 -15.548 16.660 1.00 73.31 H new ATOM 1095 N TRP A 70 13.614 -11.215 19.496 1.00 40.02 N ATOM 1096 CA TRP A 70 14.194 -10.438 20.586 1.00 73.13 C ATOM 1097 C TRP A 70 13.107 -9.909 21.515 1.00 31.22 C ATOM 1098 O TRP A 70 13.174 -10.094 22.731 1.00 53.42 O ATOM 1099 CB TRP A 70 15.016 -9.275 20.029 1.00 44.00 C ATOM 1100 CG TRP A 70 15.802 -8.547 21.078 1.00 72.32 C ATOM 1101 CD1 TRP A 70 15.326 -7.624 21.964 1.00 2.42 C ATOM 1102 CD2 TRP A 70 17.201 -8.682 21.348 1.00 44.24 C ATOM 1103 NE1 TRP A 70 16.346 -7.176 22.769 1.00 50.21 N ATOM 1104 CE2 TRP A 70 17.506 -7.810 22.411 1.00 22.24 C ATOM 1105 CE3 TRP A 70 18.226 -9.455 20.796 1.00 63.02 C ATOM 1106 CZ2 TRP A 70 18.793 -7.691 22.931 1.00 75.52 C ATOM 1107 CZ3 TRP A 70 19.502 -9.336 21.312 1.00 4.23 C ATOM 1108 CH2 TRP A 70 19.777 -8.460 22.371 1.00 34.34 C ATOM 0 H TRP A 70 13.968 -10.973 18.571 1.00 40.02 H new ATOM 0 HA TRP A 70 14.848 -11.095 21.159 1.00 73.13 H new ATOM 0 HB2 TRP A 70 15.700 -9.654 19.270 1.00 44.00 H new ATOM 0 HB3 TRP A 70 14.347 -8.572 19.533 1.00 44.00 H new ATOM 0 HD1 TRP A 70 14.299 -7.294 22.024 1.00 2.42 H new ATOM 0 HE1 TRP A 70 16.254 -6.484 23.512 1.00 50.21 H new ATOM 0 HE3 TRP A 70 18.024 -10.134 19.980 1.00 63.02 H new ATOM 0 HZ2 TRP A 70 19.007 -7.016 23.747 1.00 75.52 H new ATOM 0 HZ3 TRP A 70 20.302 -9.928 20.892 1.00 4.23 H new ATOM 0 HH2 TRP A 70 20.785 -8.390 22.753 1.00 34.34 H new ATOM 1119 N ILE A 71 12.108 -9.252 20.936 1.00 13.03 N ATOM 1120 CA ILE A 71 11.006 -8.698 21.714 1.00 24.11 C ATOM 1121 C ILE A 71 10.412 -9.746 22.649 1.00 72.02 C ATOM 1122 O ILE A 71 9.987 -9.432 23.762 1.00 71.05 O ATOM 1123 CB ILE A 71 9.893 -8.149 20.802 1.00 22.31 C ATOM 1124 CG1 ILE A 71 9.538 -9.173 19.722 1.00 41.23 C ATOM 1125 CG2 ILE A 71 10.325 -6.834 20.172 1.00 45.13 C ATOM 1126 CD1 ILE A 71 8.102 -9.643 19.784 1.00 73.13 C ATOM 0 H ILE A 71 12.039 -9.090 19.931 1.00 13.03 H new ATOM 0 HA ILE A 71 11.417 -7.879 22.305 1.00 24.11 H new ATOM 0 HB ILE A 71 9.005 -7.964 21.407 1.00 22.31 H new ATOM 0 HG12 ILE A 71 9.727 -8.735 18.742 1.00 41.23 H new ATOM 0 HG13 ILE A 71 10.198 -10.035 19.819 1.00 41.23 H new ATOM 0 HG21 ILE A 71 9.528 -6.459 19.530 1.00 45.13 H new ATOM 0 HG22 ILE A 71 10.533 -6.106 20.956 1.00 45.13 H new ATOM 0 HG23 ILE A 71 11.225 -6.994 19.577 1.00 45.13 H new ATOM 0 HD11 ILE A 71 7.922 -10.367 18.989 1.00 73.13 H new ATOM 0 HD12 ILE A 71 7.914 -10.110 20.751 1.00 73.13 H new ATOM 0 HD13 ILE A 71 7.434 -8.791 19.657 1.00 73.13 H new ATOM 1138 N LEU A 72 10.386 -10.993 22.191 1.00 42.32 N ATOM 1139 CA LEU A 72 9.845 -12.089 22.987 1.00 65.34 C ATOM 1140 C LEU A 72 10.769 -12.422 24.154 1.00 0.21 C ATOM 1141 O LEU A 72 10.323 -12.547 25.294 1.00 11.20 O ATOM 1142 CB LEU A 72 9.643 -13.328 22.113 1.00 60.33 C ATOM 1143 CG LEU A 72 8.998 -13.088 20.747 1.00 33.53 C ATOM 1144 CD1 LEU A 72 9.155 -14.314 19.860 1.00 11.50 C ATOM 1145 CD2 LEU A 72 7.528 -12.729 20.908 1.00 73.10 C ATOM 0 H LEU A 72 10.733 -11.270 21.273 1.00 42.32 H new ATOM 0 HA LEU A 72 8.882 -11.773 23.388 1.00 65.34 H new ATOM 0 HB2 LEU A 72 10.613 -13.800 21.957 1.00 60.33 H new ATOM 0 HB3 LEU A 72 9.027 -14.040 22.663 1.00 60.33 H new ATOM 0 HG LEU A 72 9.506 -12.251 20.268 1.00 33.53 H new ATOM 0 HD11 LEU A 72 8.690 -14.125 18.892 1.00 11.50 H new ATOM 0 HD12 LEU A 72 10.214 -14.527 19.718 1.00 11.50 H new ATOM 0 HD13 LEU A 72 8.673 -15.170 20.333 1.00 11.50 H new ATOM 0 HD21 LEU A 72 7.085 -12.562 19.926 1.00 73.10 H new ATOM 0 HD22 LEU A 72 7.007 -13.546 21.407 1.00 73.10 H new ATOM 0 HD23 LEU A 72 7.438 -11.822 21.506 1.00 73.10 H new ATOM 1157 N GLU A 73 12.058 -12.562 23.861 1.00 2.41 N ATOM 1158 CA GLU A 73 13.044 -12.878 24.888 1.00 62.24 C ATOM 1159 C GLU A 73 13.046 -11.819 25.986 1.00 54.42 C ATOM 1160 O GLU A 73 13.359 -12.106 27.141 1.00 23.34 O ATOM 1161 CB GLU A 73 14.439 -12.989 24.269 1.00 23.32 C ATOM 1162 CG GLU A 73 15.515 -13.397 25.262 1.00 13.33 C ATOM 1163 CD GLU A 73 16.915 -13.244 24.701 1.00 1.22 C ATOM 1164 OE1 GLU A 73 17.052 -12.677 23.597 1.00 4.40 O ATOM 1165 OE2 GLU A 73 17.873 -13.691 25.365 1.00 21.24 O ATOM 0 H GLU A 73 12.444 -12.462 22.922 1.00 2.41 H new ATOM 0 HA GLU A 73 12.773 -13.836 25.332 1.00 62.24 H new ATOM 0 HB2 GLU A 73 14.410 -13.716 23.458 1.00 23.32 H new ATOM 0 HB3 GLU A 73 14.709 -12.030 23.828 1.00 23.32 H new ATOM 0 HG2 GLU A 73 15.421 -12.791 26.163 1.00 13.33 H new ATOM 0 HG3 GLU A 73 15.357 -14.434 25.557 1.00 13.33 H new ATOM 1172 N HIS A 74 12.693 -10.591 25.616 1.00 23.22 N ATOM 1173 CA HIS A 74 12.654 -9.488 26.569 1.00 13.32 C ATOM 1174 C HIS A 74 11.243 -9.293 27.116 1.00 12.33 C ATOM 1175 O HIS A 74 10.302 -9.048 26.360 1.00 30.41 O ATOM 1176 CB HIS A 74 13.140 -8.198 25.908 1.00 13.51 C ATOM 1177 CG HIS A 74 13.469 -7.111 26.885 1.00 33.01 C ATOM 1178 ND1 HIS A 74 14.001 -5.896 26.508 1.00 11.04 N ATOM 1179 CD2 HIS A 74 13.337 -7.061 28.231 1.00 34.13 C ATOM 1180 CE1 HIS A 74 14.183 -5.146 27.581 1.00 65.43 C ATOM 1181 NE2 HIS A 74 13.788 -5.830 28.639 1.00 32.03 N ATOM 0 H HIS A 74 12.430 -10.336 24.664 1.00 23.22 H new ATOM 0 HA HIS A 74 13.316 -9.734 27.399 1.00 13.32 H new ATOM 0 HB2 HIS A 74 14.024 -8.417 25.309 1.00 13.51 H new ATOM 0 HB3 HIS A 74 12.372 -7.839 25.223 1.00 13.51 H new ATOM 0 HD2 HIS A 74 12.949 -7.844 28.866 1.00 34.13 H new ATOM 0 HE1 HIS A 74 14.586 -4.144 27.591 1.00 65.43 H new ATOM 0 HE2 HIS A 74 13.814 -5.498 29.603 1.00 32.03 H new