USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 437 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 NoAdj-H: A 36 HIS HE2 : A 36 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.0695 X(o=-0.069,f=-0.069) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 177:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 170:sc= 0.736 (180deg=0.677) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.385 K(o=-0.38,f=-1.1) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.560 12.681 -1.990 1.00 0.00 N ATOM 2 CA GLY A 1 4.491 13.592 -2.689 1.00 0.00 C ATOM 3 C GLY A 1 5.396 12.823 -3.636 1.00 0.00 C ATOM 4 O GLY A 1 4.936 12.324 -4.664 1.00 0.00 O ATOM 0 H1 GLY A 1 2.953 13.230 -1.349 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.969 12.186 -2.688 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.103 11.985 -1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.925 14.338 -3.247 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.096 14.130 -1.959 1.00 0.00 H new ATOM 10 N SER A 2 6.680 12.705 -3.288 1.00 0.00 N ATOM 11 CA SER A 2 7.716 11.990 -4.056 1.00 0.00 C ATOM 12 C SER A 2 8.731 11.296 -3.131 1.00 0.00 C ATOM 13 O SER A 2 8.728 11.502 -1.914 1.00 0.00 O ATOM 14 CB SER A 2 8.417 12.960 -5.020 1.00 0.00 C ATOM 15 OG SER A 2 9.002 14.052 -4.324 1.00 0.00 O ATOM 0 H SER A 2 7.046 13.119 -2.431 1.00 0.00 H new ATOM 0 HA SER A 2 7.230 11.207 -4.638 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.187 12.428 -5.578 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.698 13.334 -5.748 1.00 0.00 H new ATOM 0 HG SER A 2 9.442 14.650 -4.964 1.00 0.00 H new ATOM 21 N GLU A 3 9.592 10.446 -3.698 1.00 0.00 N ATOM 22 CA GLU A 3 10.499 9.552 -2.961 1.00 0.00 C ATOM 23 C GLU A 3 11.932 9.661 -3.509 1.00 0.00 C ATOM 24 O GLU A 3 12.282 9.058 -4.526 1.00 0.00 O ATOM 25 CB GLU A 3 9.975 8.104 -3.007 1.00 0.00 C ATOM 26 CG GLU A 3 8.679 7.914 -2.204 1.00 0.00 C ATOM 27 CD GLU A 3 8.162 6.467 -2.322 1.00 0.00 C ATOM 28 OE1 GLU A 3 8.640 5.582 -1.572 1.00 0.00 O1- ATOM 29 OE2 GLU A 3 7.266 6.205 -3.162 1.00 0.00 O ATOM 0 H GLU A 3 9.682 10.356 -4.710 1.00 0.00 H new ATOM 0 HA GLU A 3 10.528 9.860 -1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 3 9.799 7.819 -4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 3 10.740 7.433 -2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 3 8.858 8.156 -1.156 1.00 0.00 H new ATOM 0 HG3 GLU A 3 7.918 8.606 -2.565 1.00 0.00 H new ATOM 36 N PHE A 4 12.759 10.456 -2.822 1.00 0.00 N ATOM 37 CA PHE A 4 14.143 10.797 -3.195 1.00 0.00 C ATOM 38 C PHE A 4 15.142 10.573 -2.036 1.00 0.00 C ATOM 39 O PHE A 4 16.240 11.135 -2.024 1.00 0.00 O ATOM 40 CB PHE A 4 14.166 12.236 -3.749 1.00 0.00 C ATOM 41 CG PHE A 4 13.622 13.308 -2.814 1.00 0.00 C ATOM 42 CD1 PHE A 4 14.464 13.934 -1.873 1.00 0.00 C ATOM 43 CD2 PHE A 4 12.269 13.690 -2.896 1.00 0.00 C ATOM 44 CE1 PHE A 4 13.952 14.925 -1.015 1.00 0.00 C ATOM 45 CE2 PHE A 4 11.759 14.683 -2.040 1.00 0.00 C ATOM 46 CZ PHE A 4 12.600 15.300 -1.098 1.00 0.00 C ATOM 0 H PHE A 4 12.472 10.901 -1.950 1.00 0.00 H new ATOM 0 HA PHE A 4 14.482 10.119 -3.978 1.00 0.00 H new ATOM 0 HB2 PHE A 4 15.194 12.491 -4.007 1.00 0.00 H new ATOM 0 HB3 PHE A 4 13.590 12.260 -4.674 1.00 0.00 H new ATOM 0 HD1 PHE A 4 15.505 13.652 -1.810 1.00 0.00 H new ATOM 0 HD2 PHE A 4 11.620 13.219 -3.619 1.00 0.00 H new ATOM 0 HE1 PHE A 4 14.599 15.398 -0.291 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.720 14.971 -2.107 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.208 16.061 -0.439 1.00 0.00 H new ATOM 56 N THR A 5 14.755 9.757 -1.046 1.00 0.00 N ATOM 57 CA THR A 5 15.555 9.427 0.149 1.00 0.00 C ATOM 58 C THR A 5 16.976 8.945 -0.186 1.00 0.00 C ATOM 59 O THR A 5 17.181 8.136 -1.099 1.00 0.00 O ATOM 60 CB THR A 5 14.811 8.415 1.043 1.00 0.00 C ATOM 61 OG1 THR A 5 15.520 8.243 2.251 1.00 0.00 O ATOM 62 CG2 THR A 5 14.603 7.031 0.418 1.00 0.00 C ATOM 0 H THR A 5 13.847 9.292 -1.052 1.00 0.00 H new ATOM 0 HA THR A 5 15.680 10.355 0.706 1.00 0.00 H new ATOM 0 HB THR A 5 13.821 8.844 1.196 1.00 0.00 H new ATOM 0 HG1 THR A 5 15.046 7.601 2.820 1.00 0.00 H new ATOM 0 HG21 THR A 5 14.072 6.390 1.122 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.018 7.129 -0.497 1.00 0.00 H new ATOM 0 HG23 THR A 5 15.571 6.588 0.184 1.00 0.00 H new ATOM 70 N SER A 6 17.967 9.450 0.553 1.00 0.00 N ATOM 71 CA SER A 6 19.383 9.071 0.444 1.00 0.00 C ATOM 72 C SER A 6 20.142 9.387 1.744 1.00 0.00 C ATOM 73 O SER A 6 20.012 10.478 2.308 1.00 0.00 O ATOM 74 CB SER A 6 20.052 9.768 -0.756 1.00 0.00 C ATOM 75 OG SER A 6 19.862 11.176 -0.762 1.00 0.00 O ATOM 0 H SER A 6 17.803 10.158 1.269 1.00 0.00 H new ATOM 0 HA SER A 6 19.425 7.994 0.279 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.120 9.552 -0.744 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.652 9.350 -1.680 1.00 0.00 H new ATOM 0 HG SER A 6 20.309 11.563 -1.544 1.00 0.00 H new ATOM 81 N SER A 7 20.937 8.420 2.215 1.00 0.00 N ATOM 82 CA SER A 7 21.711 8.469 3.469 1.00 0.00 C ATOM 83 C SER A 7 22.981 7.602 3.370 1.00 0.00 C ATOM 84 O SER A 7 22.992 6.631 2.602 1.00 0.00 O ATOM 85 CB SER A 7 20.866 7.933 4.640 1.00 0.00 C ATOM 86 OG SER A 7 19.801 8.815 4.962 1.00 0.00 O ATOM 0 H SER A 7 21.067 7.541 1.713 1.00 0.00 H new ATOM 0 HA SER A 7 21.986 9.510 3.639 1.00 0.00 H new ATOM 0 HB2 SER A 7 20.463 6.954 4.380 1.00 0.00 H new ATOM 0 HB3 SER A 7 21.502 7.794 5.515 1.00 0.00 H new ATOM 0 HG SER A 7 19.284 8.445 5.707 1.00 0.00 H new ATOM 92 N PRO A 8 24.046 7.900 4.142 1.00 0.00 N ATOM 93 CA PRO A 8 25.267 7.093 4.165 1.00 0.00 C ATOM 94 C PRO A 8 25.073 5.742 4.881 1.00 0.00 C ATOM 95 O PRO A 8 24.143 5.551 5.670 1.00 0.00 O ATOM 96 CB PRO A 8 26.306 7.969 4.877 1.00 0.00 C ATOM 97 CG PRO A 8 25.462 8.812 5.831 1.00 0.00 C ATOM 98 CD PRO A 8 24.178 9.045 5.035 1.00 0.00 C ATOM 0 HA PRO A 8 25.579 6.822 3.157 1.00 0.00 H new ATOM 0 HB2 PRO A 8 27.039 7.367 5.414 1.00 0.00 H new ATOM 0 HB3 PRO A 8 26.858 8.591 4.172 1.00 0.00 H new ATOM 0 HG2 PRO A 8 25.268 8.290 6.768 1.00 0.00 H new ATOM 0 HG3 PRO A 8 25.955 9.750 6.086 1.00 0.00 H new ATOM 0 HD2 PRO A 8 23.317 9.124 5.698 1.00 0.00 H new ATOM 0 HD3 PRO A 8 24.232 9.976 4.471 1.00 0.00 H new ATOM 106 N ARG A 9 26.008 4.811 4.637 1.00 0.00 N ATOM 107 CA ARG A 9 26.080 3.469 5.259 1.00 0.00 C ATOM 108 C ARG A 9 26.308 3.457 6.782 1.00 0.00 C ATOM 109 O ARG A 9 26.067 2.432 7.421 1.00 0.00 O ATOM 110 CB ARG A 9 27.141 2.627 4.521 1.00 0.00 C ATOM 111 CG ARG A 9 28.570 3.191 4.637 1.00 0.00 C ATOM 112 CD ARG A 9 29.537 2.464 3.698 1.00 0.00 C ATOM 113 NE ARG A 9 30.845 3.150 3.653 1.00 0.00 N ATOM 114 CZ ARG A 9 31.759 3.054 2.703 1.00 0.00 C ATOM 115 NH1 ARG A 9 31.630 2.240 1.692 1.00 0.00 N1+ ATOM 116 NH2 ARG A 9 32.834 3.788 2.748 1.00 0.00 N ATOM 0 H ARG A 9 26.767 4.974 3.976 1.00 0.00 H new ATOM 0 HA ARG A 9 25.091 3.026 5.145 1.00 0.00 H new ATOM 0 HB2 ARG A 9 27.127 1.612 4.918 1.00 0.00 H new ATOM 0 HB3 ARG A 9 26.871 2.561 3.467 1.00 0.00 H new ATOM 0 HG2 ARG A 9 28.563 4.255 4.401 1.00 0.00 H new ATOM 0 HG3 ARG A 9 28.918 3.095 5.665 1.00 0.00 H new ATOM 0 HD2 ARG A 9 29.673 1.436 4.034 1.00 0.00 H new ATOM 0 HD3 ARG A 9 29.111 2.418 2.696 1.00 0.00 H new ATOM 0 HE ARG A 9 31.066 3.762 4.438 1.00 0.00 H new ATOM 0 HH11 ARG A 9 30.802 1.649 1.615 1.00 0.00 H new ATOM 0 HH12 ARG A 9 32.357 2.194 0.978 1.00 0.00 H new ATOM 0 HH21 ARG A 9 32.974 4.441 3.519 1.00 0.00 H new ATOM 0 HH22 ARG A 9 33.536 3.710 2.012 1.00 0.00 H new ATOM 130 N GLY A 10 26.759 4.573 7.365 1.00 0.00 N ATOM 131 CA GLY A 10 26.955 4.732 8.814 1.00 0.00 C ATOM 132 C GLY A 10 28.087 3.876 9.401 1.00 0.00 C ATOM 133 O GLY A 10 27.968 3.391 10.528 1.00 0.00 O ATOM 0 H GLY A 10 27.003 5.409 6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 10 27.162 5.781 9.027 1.00 0.00 H new ATOM 0 HA3 GLY A 10 26.025 4.481 9.323 1.00 0.00 H new ATOM 137 N ASP A 11 29.162 3.650 8.638 1.00 0.00 N ATOM 138 CA ASP A 11 30.333 2.867 9.062 1.00 0.00 C ATOM 139 C ASP A 11 30.972 3.432 10.349 1.00 0.00 C ATOM 140 O ASP A 11 31.466 4.565 10.371 1.00 0.00 O ATOM 141 CB ASP A 11 31.351 2.795 7.911 1.00 0.00 C ATOM 142 CG ASP A 11 32.605 1.986 8.291 1.00 0.00 C ATOM 143 OD1 ASP A 11 32.464 0.879 8.862 1.00 0.00 O1- ATOM 144 OD2 ASP A 11 33.736 2.449 8.008 1.00 0.00 O ATOM 0 H ASP A 11 29.246 4.013 7.688 1.00 0.00 H new ATOM 0 HA ASP A 11 30.001 1.857 9.303 1.00 0.00 H new ATOM 0 HB2 ASP A 11 30.879 2.342 7.039 1.00 0.00 H new ATOM 0 HB3 ASP A 11 31.645 3.805 7.625 1.00 0.00 H new ATOM 149 N LYS A 12 30.952 2.635 11.426 1.00 0.00 N ATOM 150 CA LYS A 12 31.421 2.994 12.774 1.00 0.00 C ATOM 151 C LYS A 12 31.993 1.753 13.475 1.00 0.00 C ATOM 152 O LYS A 12 31.435 0.660 13.365 1.00 0.00 O ATOM 153 CB LYS A 12 30.223 3.577 13.559 1.00 0.00 C ATOM 154 CG LYS A 12 30.601 4.267 14.883 1.00 0.00 C ATOM 155 CD LYS A 12 31.096 5.715 14.730 1.00 0.00 C ATOM 156 CE LYS A 12 29.923 6.675 14.478 1.00 0.00 C ATOM 157 NZ LYS A 12 30.372 8.090 14.413 1.00 0.00 N1+ ATOM 0 H LYS A 12 30.593 1.681 11.381 1.00 0.00 H new ATOM 0 HA LYS A 12 32.216 3.738 12.721 1.00 0.00 H new ATOM 0 HB2 LYS A 12 29.705 4.296 12.925 1.00 0.00 H new ATOM 0 HB3 LYS A 12 29.518 2.773 13.771 1.00 0.00 H new ATOM 0 HG2 LYS A 12 29.733 4.261 15.542 1.00 0.00 H new ATOM 0 HG3 LYS A 12 31.378 3.681 15.374 1.00 0.00 H new ATOM 0 HD2 LYS A 12 31.631 6.017 15.630 1.00 0.00 H new ATOM 0 HD3 LYS A 12 31.804 5.776 13.903 1.00 0.00 H new ATOM 0 HE2 LYS A 12 29.428 6.407 13.544 1.00 0.00 H new ATOM 0 HE3 LYS A 12 29.185 6.564 15.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 29.552 8.707 14.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 30.821 8.353 15.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 31.057 8.202 13.638 1.00 0.00 H new ATOM 171 N ALA A 13 33.082 1.923 14.227 1.00 0.00 N ATOM 172 CA ALA A 13 33.786 0.850 14.944 1.00 0.00 C ATOM 173 C ALA A 13 33.093 0.370 16.248 1.00 0.00 C ATOM 174 O ALA A 13 33.704 -0.352 17.043 1.00 0.00 O ATOM 175 CB ALA A 13 35.222 1.330 15.197 1.00 0.00 C ATOM 0 H ALA A 13 33.514 2.837 14.360 1.00 0.00 H new ATOM 0 HA ALA A 13 33.774 -0.041 14.316 1.00 0.00 H new ATOM 0 HB1 ALA A 13 35.776 0.556 15.729 1.00 0.00 H new ATOM 0 HB2 ALA A 13 35.710 1.535 14.244 1.00 0.00 H new ATOM 0 HB3 ALA A 13 35.201 2.239 15.798 1.00 0.00 H new ATOM 181 N ALA A 14 31.834 0.760 16.490 1.00 0.00 N ATOM 182 CA ALA A 14 31.056 0.413 17.682 1.00 0.00 C ATOM 183 C ALA A 14 29.581 0.133 17.335 1.00 0.00 C ATOM 184 O ALA A 14 28.959 0.868 16.565 1.00 0.00 O ATOM 185 CB ALA A 14 31.175 1.564 18.692 1.00 0.00 C ATOM 0 H ALA A 14 31.313 1.346 15.837 1.00 0.00 H new ATOM 0 HA ALA A 14 31.454 -0.504 18.117 1.00 0.00 H new ATOM 0 HB1 ALA A 14 30.601 1.323 19.587 1.00 0.00 H new ATOM 0 HB2 ALA A 14 32.222 1.707 18.959 1.00 0.00 H new ATOM 0 HB3 ALA A 14 30.786 2.480 18.247 1.00 0.00 H new ATOM 191 N TYR A 15 29.024 -0.921 17.938 1.00 0.00 N ATOM 192 CA TYR A 15 27.626 -1.355 17.764 1.00 0.00 C ATOM 193 C TYR A 15 27.002 -1.990 19.026 1.00 0.00 C ATOM 194 O TYR A 15 25.787 -2.199 19.060 1.00 0.00 O ATOM 195 CB TYR A 15 27.541 -2.315 16.561 1.00 0.00 C ATOM 196 CG TYR A 15 28.450 -3.532 16.630 1.00 0.00 C ATOM 197 CD1 TYR A 15 28.013 -4.713 17.264 1.00 0.00 C ATOM 198 CD2 TYR A 15 29.732 -3.487 16.047 1.00 0.00 C ATOM 199 CE1 TYR A 15 28.854 -5.844 17.316 1.00 0.00 C ATOM 200 CE2 TYR A 15 30.577 -4.613 16.100 1.00 0.00 C ATOM 201 CZ TYR A 15 30.140 -5.796 16.733 1.00 0.00 C ATOM 202 OH TYR A 15 30.960 -6.882 16.771 1.00 0.00 O ATOM 0 H TYR A 15 29.545 -1.517 18.581 1.00 0.00 H new ATOM 0 HA TYR A 15 27.034 -0.459 17.577 1.00 0.00 H new ATOM 0 HB2 TYR A 15 26.511 -2.658 16.464 1.00 0.00 H new ATOM 0 HB3 TYR A 15 27.778 -1.757 15.655 1.00 0.00 H new ATOM 0 HD1 TYR A 15 27.031 -4.752 17.711 1.00 0.00 H new ATOM 0 HD2 TYR A 15 30.068 -2.585 15.557 1.00 0.00 H new ATOM 0 HE1 TYR A 15 28.515 -6.747 17.802 1.00 0.00 H new ATOM 0 HE2 TYR A 15 31.560 -4.571 15.656 1.00 0.00 H new ATOM 0 HH TYR A 15 31.804 -6.670 16.321 1.00 0.00 H new ATOM 212 N ASP A 16 27.801 -2.280 20.062 1.00 0.00 N ATOM 213 CA ASP A 16 27.333 -2.826 21.346 1.00 0.00 C ATOM 214 C ASP A 16 26.795 -1.734 22.293 1.00 0.00 C ATOM 215 O ASP A 16 25.713 -1.892 22.863 1.00 0.00 O ATOM 216 CB ASP A 16 28.495 -3.583 22.005 1.00 0.00 C ATOM 217 CG ASP A 16 28.087 -4.210 23.350 1.00 0.00 C ATOM 218 OD1 ASP A 16 27.376 -5.244 23.346 1.00 0.00 O ATOM 219 OD2 ASP A 16 28.487 -3.678 24.413 1.00 0.00 O1- ATOM 0 H ASP A 16 28.811 -2.139 20.032 1.00 0.00 H new ATOM 0 HA ASP A 16 26.499 -3.499 21.150 1.00 0.00 H new ATOM 0 HB2 ASP A 16 28.846 -4.365 21.332 1.00 0.00 H new ATOM 0 HB3 ASP A 16 29.330 -2.900 22.162 1.00 0.00 H new ATOM 224 N ILE A 17 27.525 -0.617 22.438 1.00 0.00 N ATOM 225 CA ILE A 17 27.090 0.548 23.231 1.00 0.00 C ATOM 226 C ILE A 17 26.155 1.456 22.424 1.00 0.00 C ATOM 227 O ILE A 17 25.076 1.799 22.908 1.00 0.00 O ATOM 228 CB ILE A 17 28.302 1.296 23.844 1.00 0.00 C ATOM 229 CG1 ILE A 17 27.882 2.424 24.822 1.00 0.00 C ATOM 230 CG2 ILE A 17 29.351 1.778 22.822 1.00 0.00 C ATOM 231 CD1 ILE A 17 27.612 3.820 24.230 1.00 0.00 C ATOM 0 H ILE A 17 28.441 -0.494 22.006 1.00 0.00 H new ATOM 0 HA ILE A 17 26.501 0.189 24.075 1.00 0.00 H new ATOM 0 HB ILE A 17 28.812 0.532 24.430 1.00 0.00 H new ATOM 0 HG12 ILE A 17 26.980 2.099 25.341 1.00 0.00 H new ATOM 0 HG13 ILE A 17 28.664 2.524 25.574 1.00 0.00 H new ATOM 0 HG21 ILE A 17 30.160 2.289 23.344 1.00 0.00 H new ATOM 0 HG22 ILE A 17 29.753 0.921 22.281 1.00 0.00 H new ATOM 0 HG23 ILE A 17 28.883 2.465 22.117 1.00 0.00 H new ATOM 0 HD11 ILE A 17 27.328 4.505 25.029 1.00 0.00 H new ATOM 0 HD12 ILE A 17 28.513 4.188 23.739 1.00 0.00 H new ATOM 0 HD13 ILE A 17 26.803 3.756 23.502 1.00 0.00 H new ATOM 243 N LEU A 18 26.531 1.803 21.185 1.00 0.00 N ATOM 244 CA LEU A 18 25.700 2.613 20.290 1.00 0.00 C ATOM 245 C LEU A 18 24.413 1.872 19.896 1.00 0.00 C ATOM 246 O LEU A 18 24.383 0.639 19.811 1.00 0.00 O ATOM 247 CB LEU A 18 26.480 3.009 19.020 1.00 0.00 C ATOM 248 CG LEU A 18 27.764 3.836 19.226 1.00 0.00 C ATOM 249 CD1 LEU A 18 28.293 4.283 17.867 1.00 0.00 C ATOM 250 CD2 LEU A 18 27.549 5.085 20.078 1.00 0.00 C ATOM 0 H LEU A 18 27.424 1.528 20.776 1.00 0.00 H new ATOM 0 HA LEU A 18 25.427 3.517 20.835 1.00 0.00 H new ATOM 0 HB2 LEU A 18 26.745 2.097 18.485 1.00 0.00 H new ATOM 0 HB3 LEU A 18 25.811 3.575 18.372 1.00 0.00 H new ATOM 0 HG LEU A 18 28.469 3.191 19.750 1.00 0.00 H new ATOM 0 HD11 LEU A 18 29.202 4.869 18.005 1.00 0.00 H new ATOM 0 HD12 LEU A 18 28.515 3.407 17.257 1.00 0.00 H new ATOM 0 HD13 LEU A 18 27.541 4.893 17.366 1.00 0.00 H new ATOM 0 HD21 LEU A 18 28.493 5.620 20.183 1.00 0.00 H new ATOM 0 HD22 LEU A 18 26.816 5.732 19.596 1.00 0.00 H new ATOM 0 HD23 LEU A 18 27.185 4.795 21.063 1.00 0.00 H new ATOM 262 N ARG A 19 23.370 2.638 19.573 1.00 0.00 N ATOM 263 CA ARG A 19 22.053 2.145 19.139 1.00 0.00 C ATOM 264 C ARG A 19 21.593 2.914 17.903 1.00 0.00 C ATOM 265 O ARG A 19 21.733 4.138 17.849 1.00 0.00 O ATOM 266 CB ARG A 19 21.057 2.285 20.312 1.00 0.00 C ATOM 267 CG ARG A 19 20.476 0.947 20.796 1.00 0.00 C ATOM 268 CD ARG A 19 19.370 0.420 19.873 1.00 0.00 C ATOM 269 NE ARG A 19 18.871 -0.890 20.338 1.00 0.00 N ATOM 270 CZ ARG A 19 17.728 -1.469 20.010 1.00 0.00 C ATOM 271 NH1 ARG A 19 16.882 -0.924 19.183 1.00 0.00 N1+ ATOM 272 NH2 ARG A 19 17.413 -2.628 20.515 1.00 0.00 N ATOM 0 H ARG A 19 23.416 3.656 19.606 1.00 0.00 H new ATOM 0 HA ARG A 19 22.111 1.092 18.862 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.559 2.775 21.146 1.00 0.00 H new ATOM 0 HB3 ARG A 19 20.238 2.936 20.005 1.00 0.00 H new ATOM 0 HG2 ARG A 19 21.275 0.209 20.859 1.00 0.00 H new ATOM 0 HG3 ARG A 19 20.077 1.071 21.803 1.00 0.00 H new ATOM 0 HD2 ARG A 19 18.548 1.135 19.840 1.00 0.00 H new ATOM 0 HD3 ARG A 19 19.753 0.327 18.857 1.00 0.00 H new ATOM 0 HE ARG A 19 19.473 -1.404 20.982 1.00 0.00 H new ATOM 0 HH11 ARG A 19 17.091 -0.018 18.763 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.011 -1.403 18.955 1.00 0.00 H new ATOM 0 HH21 ARG A 19 18.048 -3.091 21.165 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.531 -3.072 20.260 1.00 0.00 H new ATOM 286 N ARG A 20 21.035 2.192 16.926 1.00 0.00 N ATOM 287 CA ARG A 20 20.540 2.728 15.648 1.00 0.00 C ATOM 288 C ARG A 20 19.016 2.653 15.528 1.00 0.00 C ATOM 289 O ARG A 20 18.383 1.785 16.137 1.00 0.00 O ATOM 290 CB ARG A 20 21.251 2.060 14.450 1.00 0.00 C ATOM 291 CG ARG A 20 21.088 0.535 14.267 1.00 0.00 C ATOM 292 CD ARG A 20 22.156 -0.322 14.976 1.00 0.00 C ATOM 293 NE ARG A 20 21.714 -0.864 16.281 1.00 0.00 N ATOM 294 CZ ARG A 20 22.502 -1.274 17.263 1.00 0.00 C ATOM 295 NH1 ARG A 20 23.795 -1.144 17.221 1.00 0.00 N1+ ATOM 296 NH2 ARG A 20 22.001 -1.820 18.332 1.00 0.00 N ATOM 0 H ARG A 20 20.910 1.183 17.003 1.00 0.00 H new ATOM 0 HA ARG A 20 20.790 3.789 15.630 1.00 0.00 H new ATOM 0 HB2 ARG A 20 20.898 2.545 13.540 1.00 0.00 H new ATOM 0 HB3 ARG A 20 22.317 2.274 14.533 1.00 0.00 H new ATOM 0 HG2 ARG A 20 20.105 0.243 14.636 1.00 0.00 H new ATOM 0 HG3 ARG A 20 21.109 0.307 13.201 1.00 0.00 H new ATOM 0 HD2 ARG A 20 22.436 -1.150 14.325 1.00 0.00 H new ATOM 0 HD3 ARG A 20 23.051 0.281 15.127 1.00 0.00 H new ATOM 0 HE ARG A 20 20.708 -0.928 16.438 1.00 0.00 H new ATOM 0 HH11 ARG A 20 24.238 -0.713 16.410 1.00 0.00 H new ATOM 0 HH12 ARG A 20 24.366 -1.473 17.999 1.00 0.00 H new ATOM 0 HH21 ARG A 20 20.991 -1.936 18.420 1.00 0.00 H new ATOM 0 HH22 ARG A 20 22.618 -2.132 19.082 1.00 0.00 H new ATOM 310 N CYS A 21 18.451 3.546 14.713 1.00 0.00 N ATOM 311 CA CYS A 21 17.021 3.640 14.421 1.00 0.00 C ATOM 312 C CYS A 21 16.731 3.084 13.015 1.00 0.00 C ATOM 313 O CYS A 21 17.223 3.606 12.009 1.00 0.00 O ATOM 314 CB CYS A 21 16.602 5.107 14.577 1.00 0.00 C ATOM 315 SG CYS A 21 14.816 5.275 14.291 1.00 0.00 S ATOM 0 H CYS A 21 18.999 4.251 14.220 1.00 0.00 H new ATOM 0 HA CYS A 21 16.435 3.037 15.115 1.00 0.00 H new ATOM 0 HB2 CYS A 21 16.854 5.462 15.576 1.00 0.00 H new ATOM 0 HB3 CYS A 21 17.152 5.728 13.870 1.00 0.00 H new ATOM 320 N SER A 22 15.923 2.022 12.949 1.00 0.00 N ATOM 321 CA SER A 22 15.561 1.308 11.710 1.00 0.00 C ATOM 322 C SER A 22 14.803 2.175 10.682 1.00 0.00 C ATOM 323 O SER A 22 14.736 1.826 9.501 1.00 0.00 O ATOM 324 CB SER A 22 14.740 0.063 12.080 1.00 0.00 C ATOM 325 OG SER A 22 14.679 -0.863 11.005 1.00 0.00 O ATOM 0 H SER A 22 15.487 1.619 13.778 1.00 0.00 H new ATOM 0 HA SER A 22 16.491 1.027 11.215 1.00 0.00 H new ATOM 0 HB2 SER A 22 15.183 -0.419 12.951 1.00 0.00 H new ATOM 0 HB3 SER A 22 13.730 0.363 12.360 1.00 0.00 H new ATOM 0 HG SER A 22 14.151 -1.643 11.275 1.00 0.00 H new ATOM 331 N GLN A 23 14.270 3.330 11.105 1.00 0.00 N ATOM 332 CA GLN A 23 13.487 4.257 10.270 1.00 0.00 C ATOM 333 C GLN A 23 14.178 5.619 10.032 1.00 0.00 C ATOM 334 O GLN A 23 13.674 6.408 9.225 1.00 0.00 O ATOM 335 CB GLN A 23 12.087 4.438 10.887 1.00 0.00 C ATOM 336 CG GLN A 23 11.266 3.136 10.877 1.00 0.00 C ATOM 337 CD GLN A 23 9.830 3.323 11.377 1.00 0.00 C ATOM 338 OE1 GLN A 23 9.520 4.149 12.226 1.00 0.00 O ATOM 339 NE2 GLN A 23 8.882 2.567 10.863 1.00 0.00 N ATOM 0 H GLN A 23 14.374 3.656 12.066 1.00 0.00 H new ATOM 0 HA GLN A 23 13.402 3.808 9.281 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.189 4.792 11.913 1.00 0.00 H new ATOM 0 HB3 GLN A 23 11.547 5.208 10.336 1.00 0.00 H new ATOM 0 HG2 GLN A 23 11.241 2.738 9.863 1.00 0.00 H new ATOM 0 HG3 GLN A 23 11.767 2.394 11.499 1.00 0.00 H new ATOM 0 HE21 GLN A 23 9.113 1.871 10.154 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.917 2.678 11.174 1.00 0.00 H new ATOM 348 N CYS A 24 15.337 5.873 10.662 1.00 0.00 N ATOM 349 CA CYS A 24 16.048 7.162 10.611 1.00 0.00 C ATOM 350 C CYS A 24 17.543 7.042 10.225 1.00 0.00 C ATOM 351 O CYS A 24 18.119 7.999 9.704 1.00 0.00 O ATOM 352 CB CYS A 24 15.914 7.875 11.972 1.00 0.00 C ATOM 353 SG CYS A 24 14.197 7.980 12.561 1.00 0.00 S ATOM 0 H CYS A 24 15.815 5.175 11.232 1.00 0.00 H new ATOM 0 HA CYS A 24 15.578 7.744 9.818 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.513 7.346 12.713 1.00 0.00 H new ATOM 0 HB3 CYS A 24 16.325 8.881 11.890 1.00 0.00 H new ATOM 358 N GLY A 25 18.183 5.894 10.479 1.00 0.00 N ATOM 359 CA GLY A 25 19.585 5.610 10.129 1.00 0.00 C ATOM 360 C GLY A 25 20.655 6.275 11.016 1.00 0.00 C ATOM 361 O GLY A 25 21.839 5.965 10.875 1.00 0.00 O ATOM 0 H GLY A 25 17.727 5.111 10.948 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.735 4.531 10.162 1.00 0.00 H new ATOM 0 HA3 GLY A 25 19.751 5.923 9.098 1.00 0.00 H new ATOM 365 N ILE A 26 20.263 7.171 11.930 1.00 0.00 N ATOM 366 CA ILE A 26 21.134 7.790 12.946 1.00 0.00 C ATOM 367 C ILE A 26 21.637 6.759 13.981 1.00 0.00 C ATOM 368 O ILE A 26 20.975 5.747 14.229 1.00 0.00 O ATOM 369 CB ILE A 26 20.384 8.981 13.598 1.00 0.00 C ATOM 370 CG1 ILE A 26 21.324 9.849 14.468 1.00 0.00 C ATOM 371 CG2 ILE A 26 19.141 8.520 14.383 1.00 0.00 C ATOM 372 CD1 ILE A 26 20.723 11.193 14.901 1.00 0.00 C ATOM 0 H ILE A 26 19.299 7.498 11.988 1.00 0.00 H new ATOM 0 HA ILE A 26 22.033 8.174 12.464 1.00 0.00 H new ATOM 0 HB ILE A 26 20.029 9.613 12.784 1.00 0.00 H new ATOM 0 HG12 ILE A 26 21.600 9.284 15.358 1.00 0.00 H new ATOM 0 HG13 ILE A 26 22.243 10.037 13.913 1.00 0.00 H new ATOM 0 HG21 ILE A 26 18.646 9.386 14.823 1.00 0.00 H new ATOM 0 HG22 ILE A 26 18.452 8.013 13.708 1.00 0.00 H new ATOM 0 HG23 ILE A 26 19.444 7.835 15.175 1.00 0.00 H new ATOM 0 HD11 ILE A 26 21.448 11.737 15.507 1.00 0.00 H new ATOM 0 HD12 ILE A 26 20.473 11.781 14.018 1.00 0.00 H new ATOM 0 HD13 ILE A 26 19.821 11.016 15.486 1.00 0.00 H new ATOM 384 N LEU A 27 22.782 7.040 14.615 1.00 0.00 N ATOM 385 CA LEU A 27 23.335 6.293 15.754 1.00 0.00 C ATOM 386 C LEU A 27 23.492 7.233 16.961 1.00 0.00 C ATOM 387 O LEU A 27 24.073 8.313 16.828 1.00 0.00 O ATOM 388 CB LEU A 27 24.713 5.679 15.417 1.00 0.00 C ATOM 389 CG LEU A 27 24.715 4.455 14.480 1.00 0.00 C ATOM 390 CD1 LEU A 27 24.579 4.820 13.001 1.00 0.00 C ATOM 391 CD2 LEU A 27 26.031 3.688 14.636 1.00 0.00 C ATOM 0 H LEU A 27 23.373 7.824 14.339 1.00 0.00 H new ATOM 0 HA LEU A 27 22.643 5.484 15.987 1.00 0.00 H new ATOM 0 HB2 LEU A 27 25.330 6.455 14.964 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.196 5.393 16.351 1.00 0.00 H new ATOM 0 HG LEU A 27 23.851 3.857 14.769 1.00 0.00 H new ATOM 0 HD11 LEU A 27 24.588 3.911 12.400 1.00 0.00 H new ATOM 0 HD12 LEU A 27 23.641 5.351 12.842 1.00 0.00 H new ATOM 0 HD13 LEU A 27 25.412 5.458 12.706 1.00 0.00 H new ATOM 0 HD21 LEU A 27 26.029 2.823 13.972 1.00 0.00 H new ATOM 0 HD22 LEU A 27 26.865 4.341 14.379 1.00 0.00 H new ATOM 0 HD23 LEU A 27 26.137 3.353 15.668 1.00 0.00 H new ATOM 403 N LEU A 28 23.020 6.807 18.138 1.00 0.00 N ATOM 404 CA LEU A 28 23.114 7.544 19.409 1.00 0.00 C ATOM 405 C LEU A 28 23.795 6.669 20.488 1.00 0.00 C ATOM 406 O LEU A 28 23.671 5.442 20.428 1.00 0.00 O ATOM 407 CB LEU A 28 21.712 7.966 19.909 1.00 0.00 C ATOM 408 CG LEU A 28 20.862 8.969 19.100 1.00 0.00 C ATOM 409 CD1 LEU A 28 21.652 10.182 18.616 1.00 0.00 C ATOM 410 CD2 LEU A 28 20.137 8.327 17.919 1.00 0.00 C ATOM 0 H LEU A 28 22.546 5.910 18.238 1.00 0.00 H new ATOM 0 HA LEU A 28 23.711 8.438 19.232 1.00 0.00 H new ATOM 0 HB2 LEU A 28 21.121 7.056 20.016 1.00 0.00 H new ATOM 0 HB3 LEU A 28 21.839 8.383 20.908 1.00 0.00 H new ATOM 0 HG LEU A 28 20.114 9.316 19.813 1.00 0.00 H new ATOM 0 HD11 LEU A 28 20.993 10.845 18.055 1.00 0.00 H new ATOM 0 HD12 LEU A 28 22.060 10.717 19.474 1.00 0.00 H new ATOM 0 HD13 LEU A 28 22.468 9.852 17.973 1.00 0.00 H new ATOM 0 HD21 LEU A 28 19.558 9.085 17.392 1.00 0.00 H new ATOM 0 HD22 LEU A 28 20.867 7.890 17.238 1.00 0.00 H new ATOM 0 HD23 LEU A 28 19.468 7.547 18.283 1.00 0.00 H new ATOM 422 N PRO A 29 24.486 7.263 21.486 1.00 0.00 N ATOM 423 CA PRO A 29 25.149 6.513 22.554 1.00 0.00 C ATOM 424 C PRO A 29 24.164 5.873 23.547 1.00 0.00 C ATOM 425 O PRO A 29 24.013 4.654 23.547 1.00 0.00 O ATOM 426 CB PRO A 29 26.125 7.501 23.209 1.00 0.00 C ATOM 427 CG PRO A 29 25.524 8.876 22.913 1.00 0.00 C ATOM 428 CD PRO A 29 24.844 8.675 21.560 1.00 0.00 C ATOM 0 HA PRO A 29 25.683 5.651 22.155 1.00 0.00 H new ATOM 0 HB2 PRO A 29 26.209 7.326 24.282 1.00 0.00 H new ATOM 0 HB3 PRO A 29 27.127 7.406 22.791 1.00 0.00 H new ATOM 0 HG2 PRO A 29 24.812 9.178 23.681 1.00 0.00 H new ATOM 0 HG3 PRO A 29 26.291 9.649 22.868 1.00 0.00 H new ATOM 0 HD2 PRO A 29 23.959 9.305 21.472 1.00 0.00 H new ATOM 0 HD3 PRO A 29 25.513 8.950 20.744 1.00 0.00 H new ATOM 436 N LEU A 30 23.491 6.671 24.387 1.00 0.00 N ATOM 437 CA LEU A 30 22.561 6.203 25.436 1.00 0.00 C ATOM 438 C LEU A 30 21.706 7.346 26.028 1.00 0.00 C ATOM 439 O LEU A 30 20.480 7.256 25.942 1.00 0.00 O ATOM 440 CB LEU A 30 23.344 5.447 26.543 1.00 0.00 C ATOM 441 CG LEU A 30 23.012 3.944 26.614 1.00 0.00 C ATOM 442 CD1 LEU A 30 24.064 3.213 27.449 1.00 0.00 C ATOM 443 CD2 LEU A 30 21.639 3.704 27.249 1.00 0.00 C ATOM 0 H LEU A 30 23.577 7.687 24.359 1.00 0.00 H new ATOM 0 HA LEU A 30 21.858 5.514 24.968 1.00 0.00 H new ATOM 0 HB2 LEU A 30 24.413 5.567 26.367 1.00 0.00 H new ATOM 0 HB3 LEU A 30 23.126 5.905 27.508 1.00 0.00 H new ATOM 0 HG LEU A 30 23.004 3.564 25.593 1.00 0.00 H new ATOM 0 HD11 LEU A 30 23.820 2.152 27.493 1.00 0.00 H new ATOM 0 HD12 LEU A 30 25.045 3.341 26.992 1.00 0.00 H new ATOM 0 HD13 LEU A 30 24.078 3.624 28.458 1.00 0.00 H new ATOM 0 HD21 LEU A 30 21.436 2.634 27.284 1.00 0.00 H new ATOM 0 HD22 LEU A 30 21.631 4.108 28.261 1.00 0.00 H new ATOM 0 HD23 LEU A 30 20.872 4.200 26.654 1.00 0.00 H new ATOM 455 N PRO A 31 22.282 8.449 26.561 1.00 0.00 N ATOM 456 CA PRO A 31 21.483 9.567 27.079 1.00 0.00 C ATOM 457 C PRO A 31 20.778 10.359 25.964 1.00 0.00 C ATOM 458 O PRO A 31 19.635 10.787 26.134 1.00 0.00 O ATOM 459 CB PRO A 31 22.461 10.437 27.879 1.00 0.00 C ATOM 460 CG PRO A 31 23.825 10.130 27.266 1.00 0.00 C ATOM 461 CD PRO A 31 23.698 8.666 26.855 1.00 0.00 C ATOM 0 HA PRO A 31 20.668 9.206 27.706 1.00 0.00 H new ATOM 0 HB2 PRO A 31 22.215 11.495 27.792 1.00 0.00 H new ATOM 0 HB3 PRO A 31 22.437 10.190 28.940 1.00 0.00 H new ATOM 0 HG2 PRO A 31 24.036 10.772 26.411 1.00 0.00 H new ATOM 0 HG3 PRO A 31 24.632 10.279 27.983 1.00 0.00 H new ATOM 0 HD2 PRO A 31 24.315 8.451 25.982 1.00 0.00 H new ATOM 0 HD3 PRO A 31 24.036 8.006 27.654 1.00 0.00 H new ATOM 469 N ILE A 32 21.425 10.508 24.801 1.00 0.00 N ATOM 470 CA ILE A 32 20.862 11.183 23.614 1.00 0.00 C ATOM 471 C ILE A 32 19.814 10.294 22.915 1.00 0.00 C ATOM 472 O ILE A 32 18.847 10.803 22.346 1.00 0.00 O ATOM 473 CB ILE A 32 21.989 11.616 22.637 1.00 0.00 C ATOM 474 CG1 ILE A 32 23.133 12.365 23.369 1.00 0.00 C ATOM 475 CG2 ILE A 32 21.414 12.506 21.517 1.00 0.00 C ATOM 476 CD1 ILE A 32 24.328 12.749 22.481 1.00 0.00 C ATOM 0 H ILE A 32 22.371 10.158 24.651 1.00 0.00 H new ATOM 0 HA ILE A 32 20.351 12.086 23.948 1.00 0.00 H new ATOM 0 HB ILE A 32 22.408 10.709 22.202 1.00 0.00 H new ATOM 0 HG12 ILE A 32 22.726 13.272 23.817 1.00 0.00 H new ATOM 0 HG13 ILE A 32 23.492 11.740 24.186 1.00 0.00 H new ATOM 0 HG21 ILE A 32 22.215 12.802 20.840 1.00 0.00 H new ATOM 0 HG22 ILE A 32 20.657 11.950 20.963 1.00 0.00 H new ATOM 0 HG23 ILE A 32 20.962 13.396 21.955 1.00 0.00 H new ATOM 0 HD11 ILE A 32 25.075 13.268 23.081 1.00 0.00 H new ATOM 0 HD12 ILE A 32 24.768 11.848 22.053 1.00 0.00 H new ATOM 0 HD13 ILE A 32 23.989 13.404 21.678 1.00 0.00 H new ATOM 488 N LEU A 33 19.950 8.960 23.005 1.00 0.00 N ATOM 489 CA LEU A 33 18.982 8.006 22.442 1.00 0.00 C ATOM 490 C LEU A 33 17.567 8.224 22.990 1.00 0.00 C ATOM 491 O LEU A 33 16.610 8.080 22.239 1.00 0.00 O ATOM 492 CB LEU A 33 19.448 6.559 22.700 1.00 0.00 C ATOM 493 CG LEU A 33 18.548 5.475 22.064 1.00 0.00 C ATOM 494 CD1 LEU A 33 18.613 5.474 20.536 1.00 0.00 C ATOM 495 CD2 LEU A 33 18.970 4.101 22.576 1.00 0.00 C ATOM 0 H LEU A 33 20.738 8.512 23.473 1.00 0.00 H new ATOM 0 HA LEU A 33 18.938 8.181 21.367 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.462 6.443 22.317 1.00 0.00 H new ATOM 0 HB3 LEU A 33 19.493 6.391 23.776 1.00 0.00 H new ATOM 0 HG LEU A 33 17.521 5.703 22.351 1.00 0.00 H new ATOM 0 HD11 LEU A 33 17.961 4.693 20.145 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.286 6.442 20.157 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.638 5.286 20.216 1.00 0.00 H new ATOM 0 HD21 LEU A 33 18.336 3.335 22.128 1.00 0.00 H new ATOM 0 HD22 LEU A 33 20.009 3.915 22.305 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.866 4.069 23.661 1.00 0.00 H new ATOM 507 N ASN A 34 17.421 8.612 24.261 1.00 0.00 N ATOM 508 CA ASN A 34 16.120 8.892 24.874 1.00 0.00 C ATOM 509 C ASN A 34 15.324 9.979 24.117 1.00 0.00 C ATOM 510 O ASN A 34 14.116 9.827 23.919 1.00 0.00 O ATOM 511 CB ASN A 34 16.350 9.264 26.348 1.00 0.00 C ATOM 512 CG ASN A 34 15.043 9.461 27.098 1.00 0.00 C ATOM 513 OD1 ASN A 34 14.559 10.571 27.274 1.00 0.00 O ATOM 514 ND2 ASN A 34 14.425 8.395 27.556 1.00 0.00 N ATOM 0 H ASN A 34 18.208 8.741 24.897 1.00 0.00 H new ATOM 0 HA ASN A 34 15.500 7.997 24.814 1.00 0.00 H new ATOM 0 HB2 ASN A 34 16.931 8.480 26.833 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.940 10.179 26.403 1.00 0.00 H new ATOM 0 HD21 ASN A 34 13.542 8.493 28.058 1.00 0.00 H new ATOM 0 HD22 ASN A 34 14.828 7.470 27.410 1.00 0.00 H new ATOM 521 N GLN A 35 16.001 11.033 23.640 1.00 0.00 N ATOM 522 CA GLN A 35 15.387 12.089 22.824 1.00 0.00 C ATOM 523 C GLN A 35 14.941 11.561 21.452 1.00 0.00 C ATOM 524 O GLN A 35 13.810 11.825 21.039 1.00 0.00 O ATOM 525 CB GLN A 35 16.364 13.266 22.667 1.00 0.00 C ATOM 526 CG GLN A 35 15.705 14.470 21.971 1.00 0.00 C ATOM 527 CD GLN A 35 16.682 15.629 21.781 1.00 0.00 C ATOM 528 OE1 GLN A 35 17.621 15.568 20.996 1.00 0.00 O ATOM 529 NE2 GLN A 35 16.503 16.736 22.474 1.00 0.00 N ATOM 0 H GLN A 35 16.996 11.177 23.811 1.00 0.00 H new ATOM 0 HA GLN A 35 14.492 12.437 23.340 1.00 0.00 H new ATOM 0 HB2 GLN A 35 16.728 13.569 23.649 1.00 0.00 H new ATOM 0 HB3 GLN A 35 17.231 12.944 22.091 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.318 14.160 21.000 1.00 0.00 H new ATOM 0 HG3 GLN A 35 14.853 14.808 22.561 1.00 0.00 H new ATOM 0 HE21 GLN A 35 15.727 16.806 23.132 1.00 0.00 H new ATOM 0 HE22 GLN A 35 17.140 17.523 22.352 1.00 0.00 H new ATOM 538 N HIS A 36 15.788 10.792 20.752 1.00 0.00 N ATOM 539 CA HIS A 36 15.374 10.183 19.483 1.00 0.00 C ATOM 540 C HIS A 36 14.212 9.210 19.699 1.00 0.00 C ATOM 541 O HIS A 36 13.224 9.287 18.983 1.00 0.00 O ATOM 542 CB HIS A 36 16.533 9.486 18.753 1.00 0.00 C ATOM 543 CG HIS A 36 16.144 9.135 17.330 1.00 0.00 C ATOM 544 ND1 HIS A 36 16.218 9.989 16.255 1.00 0.00 N ATOM 545 CD2 HIS A 36 15.528 7.992 16.886 1.00 0.00 C ATOM 546 CE1 HIS A 36 15.666 9.385 15.193 1.00 0.00 C ATOM 547 NE2 HIS A 36 15.208 8.155 15.519 1.00 0.00 N ATOM 0 H HIS A 36 16.744 10.581 21.037 1.00 0.00 H new ATOM 0 HA HIS A 36 15.039 10.998 18.841 1.00 0.00 H new ATOM 0 HB2 HIS A 36 17.407 10.137 18.745 1.00 0.00 H new ATOM 0 HB3 HIS A 36 16.815 8.581 19.291 1.00 0.00 H new ATOM 0 HD1 HIS A 36 16.624 10.924 16.264 1.00 0.00 H new ATOM 0 HD2 HIS A 36 15.322 7.115 17.481 1.00 0.00 H new ATOM 0 HE1 HIS A 36 15.596 9.823 14.208 1.00 0.00 H new ATOM 555 N GLN A 37 14.292 8.338 20.707 1.00 0.00 N ATOM 556 CA GLN A 37 13.290 7.313 20.993 1.00 0.00 C ATOM 557 C GLN A 37 11.892 7.916 21.186 1.00 0.00 C ATOM 558 O GLN A 37 10.959 7.490 20.509 1.00 0.00 O ATOM 559 CB GLN A 37 13.745 6.492 22.214 1.00 0.00 C ATOM 560 CG GLN A 37 12.860 5.270 22.516 1.00 0.00 C ATOM 561 CD GLN A 37 12.778 4.276 21.356 1.00 0.00 C ATOM 562 OE1 GLN A 37 11.718 3.992 20.816 1.00 0.00 O ATOM 563 NE2 GLN A 37 13.887 3.715 20.916 1.00 0.00 N ATOM 0 H GLN A 37 15.074 8.326 21.361 1.00 0.00 H new ATOM 0 HA GLN A 37 13.207 6.647 20.134 1.00 0.00 H new ATOM 0 HB2 GLN A 37 14.768 6.154 22.050 1.00 0.00 H new ATOM 0 HB3 GLN A 37 13.760 7.141 23.089 1.00 0.00 H new ATOM 0 HG2 GLN A 37 13.249 4.758 23.396 1.00 0.00 H new ATOM 0 HG3 GLN A 37 11.855 5.611 22.764 1.00 0.00 H new ATOM 0 HE21 GLN A 37 14.781 3.940 21.354 1.00 0.00 H new ATOM 0 HE22 GLN A 37 13.851 3.057 20.138 1.00 0.00 H new ATOM 572 N GLU A 38 11.736 8.930 22.046 1.00 0.00 N ATOM 573 CA GLU A 38 10.424 9.561 22.261 1.00 0.00 C ATOM 574 C GLU A 38 9.917 10.329 21.026 1.00 0.00 C ATOM 575 O GLU A 38 8.746 10.190 20.667 1.00 0.00 O ATOM 576 CB GLU A 38 10.412 10.390 23.562 1.00 0.00 C ATOM 577 CG GLU A 38 11.240 11.689 23.591 1.00 0.00 C ATOM 578 CD GLU A 38 10.546 12.942 23.006 1.00 0.00 C ATOM 579 OE1 GLU A 38 9.302 12.966 22.845 1.00 0.00 O1- ATOM 580 OE2 GLU A 38 11.251 13.950 22.751 1.00 0.00 O ATOM 0 H GLU A 38 12.493 9.330 22.601 1.00 0.00 H new ATOM 0 HA GLU A 38 9.695 8.763 22.399 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.377 10.647 23.786 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.764 9.750 24.371 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.516 11.899 24.624 1.00 0.00 H new ATOM 0 HG3 GLU A 38 12.166 11.520 23.042 1.00 0.00 H new ATOM 587 N LYS A 39 10.790 11.066 20.320 1.00 0.00 N ATOM 588 CA LYS A 39 10.411 11.855 19.132 1.00 0.00 C ATOM 589 C LYS A 39 10.032 10.968 17.941 1.00 0.00 C ATOM 590 O LYS A 39 8.977 11.164 17.342 1.00 0.00 O ATOM 591 CB LYS A 39 11.554 12.840 18.807 1.00 0.00 C ATOM 592 CG LYS A 39 11.160 14.008 17.880 1.00 0.00 C ATOM 593 CD LYS A 39 11.137 13.729 16.367 1.00 0.00 C ATOM 594 CE LYS A 39 12.521 13.348 15.825 1.00 0.00 C ATOM 595 NZ LYS A 39 12.519 13.255 14.341 1.00 0.00 N1+ ATOM 0 H LYS A 39 11.780 11.133 20.556 1.00 0.00 H new ATOM 0 HA LYS A 39 9.509 12.426 19.352 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.937 13.250 19.741 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.370 12.286 18.343 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.169 14.354 18.175 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.851 14.831 18.061 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.433 12.923 16.159 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.774 14.613 15.842 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.254 14.089 16.143 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.829 12.393 16.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.470 12.996 14.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.837 12.530 14.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.249 14.174 13.936 1.00 0.00 H new ATOM 609 N CYS A 40 10.863 9.974 17.626 1.00 0.00 N ATOM 610 CA CYS A 40 10.680 9.001 16.549 1.00 0.00 C ATOM 611 C CYS A 40 9.392 8.175 16.762 1.00 0.00 C ATOM 612 O CYS A 40 8.551 8.091 15.862 1.00 0.00 O ATOM 613 CB CYS A 40 11.969 8.156 16.518 1.00 0.00 C ATOM 614 SG CYS A 40 12.174 7.190 15.001 1.00 0.00 S ATOM 0 H CYS A 40 11.728 9.818 18.143 1.00 0.00 H new ATOM 0 HA CYS A 40 10.535 9.476 15.579 1.00 0.00 H new ATOM 0 HB2 CYS A 40 12.828 8.817 16.636 1.00 0.00 H new ATOM 0 HB3 CYS A 40 11.969 7.478 17.372 1.00 0.00 H new ATOM 619 N ARG A 41 9.175 7.668 17.990 1.00 0.00 N ATOM 620 CA ARG A 41 7.933 6.993 18.414 1.00 0.00 C ATOM 621 C ARG A 41 6.706 7.892 18.264 1.00 0.00 C ATOM 622 O ARG A 41 5.703 7.449 17.706 1.00 0.00 O ATOM 623 CB ARG A 41 8.120 6.478 19.855 1.00 0.00 C ATOM 624 CG ARG A 41 6.951 5.693 20.476 1.00 0.00 C ATOM 625 CD ARG A 41 5.849 6.590 21.068 1.00 0.00 C ATOM 626 NE ARG A 41 5.013 5.858 22.043 1.00 0.00 N ATOM 627 CZ ARG A 41 5.253 5.689 23.334 1.00 0.00 C ATOM 628 NH1 ARG A 41 6.328 6.147 23.912 1.00 0.00 N1+ ATOM 629 NH2 ARG A 41 4.406 5.042 24.082 1.00 0.00 N ATOM 0 H ARG A 41 9.873 7.717 18.732 1.00 0.00 H new ATOM 0 HA ARG A 41 7.742 6.144 17.758 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.004 5.840 19.874 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.331 7.334 20.496 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.512 5.048 19.714 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.338 5.042 21.260 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.304 7.453 21.554 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.220 6.972 20.264 1.00 0.00 H new ATOM 0 HE ARG A 41 4.157 5.437 21.681 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.022 6.657 23.366 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.475 5.995 24.910 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.552 4.662 23.674 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.597 4.915 25.076 1.00 0.00 H new ATOM 643 N TRP A 42 6.771 9.143 18.727 1.00 0.00 N ATOM 644 CA TRP A 42 5.663 10.098 18.610 1.00 0.00 C ATOM 645 C TRP A 42 5.307 10.387 17.144 1.00 0.00 C ATOM 646 O TRP A 42 4.144 10.264 16.763 1.00 0.00 O ATOM 647 CB TRP A 42 5.995 11.392 19.365 1.00 0.00 C ATOM 648 CG TRP A 42 4.870 12.382 19.430 1.00 0.00 C ATOM 649 CD1 TRP A 42 3.962 12.462 20.429 1.00 0.00 C ATOM 650 CD2 TRP A 42 4.494 13.418 18.465 1.00 0.00 C ATOM 651 NE1 TRP A 42 3.050 13.462 20.152 1.00 0.00 N ATOM 652 CE2 TRP A 42 3.321 14.076 18.948 1.00 0.00 C ATOM 653 CE3 TRP A 42 5.017 13.868 17.230 1.00 0.00 C ATOM 654 CZ2 TRP A 42 2.691 15.111 18.240 1.00 0.00 C ATOM 655 CZ3 TRP A 42 4.390 14.903 16.508 1.00 0.00 C ATOM 656 CH2 TRP A 42 3.228 15.523 17.008 1.00 0.00 C ATOM 0 H TRP A 42 7.594 9.524 19.194 1.00 0.00 H new ATOM 0 HA TRP A 42 4.782 9.645 19.066 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.297 11.137 20.381 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.852 11.866 18.887 1.00 0.00 H new ATOM 0 HD1 TRP A 42 3.951 11.838 21.311 1.00 0.00 H new ATOM 0 HE1 TRP A 42 2.273 13.715 20.762 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.912 13.411 16.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 1.805 15.585 18.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.804 15.224 15.563 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.751 16.313 16.446 1.00 0.00 H new ATOM 667 N LEU A 43 6.300 10.698 16.302 1.00 0.00 N ATOM 668 CA LEU A 43 6.100 10.994 14.878 1.00 0.00 C ATOM 669 C LEU A 43 5.506 9.783 14.136 1.00 0.00 C ATOM 670 O LEU A 43 4.532 9.925 13.394 1.00 0.00 O ATOM 671 CB LEU A 43 7.448 11.459 14.278 1.00 0.00 C ATOM 672 CG LEU A 43 7.402 12.388 13.047 1.00 0.00 C ATOM 673 CD1 LEU A 43 6.657 11.811 11.843 1.00 0.00 C ATOM 674 CD2 LEU A 43 6.791 13.750 13.384 1.00 0.00 C ATOM 0 H LEU A 43 7.276 10.752 16.594 1.00 0.00 H new ATOM 0 HA LEU A 43 5.373 11.798 14.761 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.006 11.969 15.063 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.019 10.571 14.007 1.00 0.00 H new ATOM 0 HG LEU A 43 8.449 12.497 12.765 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.675 12.531 11.025 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.141 10.888 11.524 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.624 11.602 12.120 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.777 14.374 12.490 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.772 13.612 13.746 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.388 14.236 14.156 1.00 0.00 H new ATOM 686 N ALA A 44 6.030 8.579 14.393 1.00 0.00 N ATOM 687 CA ALA A 44 5.499 7.330 13.851 1.00 0.00 C ATOM 688 C ALA A 44 4.039 7.079 14.277 1.00 0.00 C ATOM 689 O ALA A 44 3.195 6.797 13.421 1.00 0.00 O ATOM 690 CB ALA A 44 6.416 6.176 14.277 1.00 0.00 C ATOM 0 H ALA A 44 6.845 8.447 14.991 1.00 0.00 H new ATOM 0 HA ALA A 44 5.483 7.401 12.763 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.030 5.238 13.878 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.421 6.348 13.891 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.450 6.121 15.365 1.00 0.00 H new ATOM 696 N SER A 45 3.726 7.236 15.568 1.00 0.00 N ATOM 697 CA SER A 45 2.378 7.058 16.131 1.00 0.00 C ATOM 698 C SER A 45 1.361 8.062 15.563 1.00 0.00 C ATOM 699 O SER A 45 0.257 7.676 15.170 1.00 0.00 O ATOM 700 CB SER A 45 2.452 7.183 17.659 1.00 0.00 C ATOM 701 OG SER A 45 1.203 6.897 18.268 1.00 0.00 O ATOM 0 H SER A 45 4.419 7.497 16.270 1.00 0.00 H new ATOM 0 HA SER A 45 2.027 6.066 15.848 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.210 6.501 18.044 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.766 8.192 17.927 1.00 0.00 H new ATOM 0 HG SER A 45 1.286 6.984 19.241 1.00 0.00 H new ATOM 707 N SER A 46 1.743 9.339 15.448 1.00 0.00 N ATOM 708 CA SER A 46 0.923 10.405 14.851 1.00 0.00 C ATOM 709 C SER A 46 0.795 10.318 13.323 1.00 0.00 C ATOM 710 O SER A 46 -0.098 10.957 12.759 1.00 0.00 O ATOM 711 CB SER A 46 1.493 11.780 15.228 1.00 0.00 C ATOM 712 OG SER A 46 1.351 12.013 16.622 1.00 0.00 O ATOM 0 H SER A 46 2.651 9.670 15.774 1.00 0.00 H new ATOM 0 HA SER A 46 -0.079 10.269 15.258 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.546 11.832 14.950 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.977 12.560 14.669 1.00 0.00 H new ATOM 0 HG SER A 46 1.765 12.870 16.854 1.00 0.00 H new ATOM 718 N LYS A 47 1.656 9.538 12.643 1.00 0.00 N ATOM 719 CA LYS A 47 1.711 9.373 11.171 1.00 0.00 C ATOM 720 C LYS A 47 1.720 10.728 10.421 1.00 0.00 C ATOM 721 O LYS A 47 1.122 10.880 9.356 1.00 0.00 O ATOM 722 CB LYS A 47 0.578 8.402 10.761 1.00 0.00 C ATOM 723 CG LYS A 47 0.669 7.755 9.364 1.00 0.00 C ATOM 724 CD LYS A 47 1.416 6.412 9.296 1.00 0.00 C ATOM 725 CE LYS A 47 2.940 6.530 9.435 1.00 0.00 C ATOM 726 NZ LYS A 47 3.435 5.957 10.715 1.00 0.00 N1+ ATOM 0 H LYS A 47 2.364 8.980 13.121 1.00 0.00 H new ATOM 0 HA LYS A 47 2.659 8.928 10.868 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.536 7.602 11.500 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.367 8.942 10.821 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.343 7.606 8.987 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.160 8.457 8.690 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.040 5.760 10.085 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.186 5.929 8.346 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.420 6.018 8.601 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.228 7.579 9.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.473 5.904 10.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.136 6.563 11.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.042 5.002 10.843 1.00 0.00 H new ATOM 740 N GLY A 48 2.381 11.734 11.007 1.00 0.00 N ATOM 741 CA GLY A 48 2.341 13.138 10.559 1.00 0.00 C ATOM 742 C GLY A 48 3.167 13.449 9.302 1.00 0.00 C ATOM 743 O GLY A 48 2.984 14.506 8.692 1.00 0.00 O ATOM 0 H GLY A 48 2.973 11.594 11.825 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.303 13.412 10.369 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.694 13.772 11.372 1.00 0.00 H new ATOM 747 N LYS A 49 4.047 12.526 8.893 1.00 0.00 N ATOM 748 CA LYS A 49 4.845 12.577 7.655 1.00 0.00 C ATOM 749 C LYS A 49 4.984 11.164 7.066 1.00 0.00 C ATOM 750 O LYS A 49 4.904 10.173 7.794 1.00 0.00 O ATOM 751 CB LYS A 49 6.217 13.213 7.975 1.00 0.00 C ATOM 752 CG LYS A 49 6.920 13.864 6.770 1.00 0.00 C ATOM 753 CD LYS A 49 6.294 15.211 6.368 1.00 0.00 C ATOM 754 CE LYS A 49 7.098 15.924 5.269 1.00 0.00 C ATOM 755 NZ LYS A 49 6.943 15.281 3.936 1.00 0.00 N1+ ATOM 0 H LYS A 49 4.233 11.684 9.439 1.00 0.00 H new ATOM 0 HA LYS A 49 4.350 13.192 6.903 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.081 13.967 8.750 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.871 12.445 8.389 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.973 14.015 7.008 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.880 13.182 5.920 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.274 15.046 6.020 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.231 15.856 7.245 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.777 16.964 5.206 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.153 15.932 5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.505 15.801 3.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.274 14.296 3.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.941 15.296 3.658 1.00 0.00 H new ATOM 769 N GLN A 50 5.201 11.077 5.754 1.00 0.00 N ATOM 770 CA GLN A 50 5.148 9.838 4.960 1.00 0.00 C ATOM 771 C GLN A 50 6.368 9.682 4.025 1.00 0.00 C ATOM 772 O GLN A 50 6.252 9.278 2.868 1.00 0.00 O ATOM 773 CB GLN A 50 3.775 9.706 4.261 1.00 0.00 C ATOM 774 CG GLN A 50 3.369 10.847 3.306 1.00 0.00 C ATOM 775 CD GLN A 50 2.902 12.109 4.031 1.00 0.00 C ATOM 776 OE1 GLN A 50 3.661 13.046 4.250 1.00 0.00 O ATOM 777 NE2 GLN A 50 1.657 12.174 4.458 1.00 0.00 N ATOM 0 H GLN A 50 5.427 11.895 5.189 1.00 0.00 H new ATOM 0 HA GLN A 50 5.229 8.985 5.634 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.769 8.773 3.698 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.009 9.618 5.031 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.217 11.096 2.668 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.571 10.496 2.652 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.016 11.400 4.282 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.334 12.998 4.965 1.00 0.00 H new ATOM 786 N VAL A 51 7.564 9.998 4.544 1.00 0.00 N ATOM 787 CA VAL A 51 8.872 9.816 3.864 1.00 0.00 C ATOM 788 C VAL A 51 9.261 8.348 3.592 1.00 0.00 C ATOM 789 O VAL A 51 10.277 8.094 2.940 1.00 0.00 O ATOM 790 CB VAL A 51 10.017 10.512 4.635 1.00 0.00 C ATOM 791 CG1 VAL A 51 9.777 12.020 4.759 1.00 0.00 C ATOM 792 CG2 VAL A 51 10.234 9.934 6.042 1.00 0.00 C ATOM 0 H VAL A 51 7.659 10.400 5.477 1.00 0.00 H new ATOM 0 HA VAL A 51 8.732 10.288 2.892 1.00 0.00 H new ATOM 0 HB VAL A 51 10.914 10.325 4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.602 12.476 5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.714 12.461 3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 51 8.844 12.197 5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.051 10.465 6.531 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.322 10.051 6.628 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.483 8.876 5.966 1.00 0.00 H new ATOM 802 N ARG A 52 8.471 7.379 4.078 1.00 0.00 N ATOM 803 CA ARG A 52 8.674 5.928 3.915 1.00 0.00 C ATOM 804 C ARG A 52 7.385 5.201 3.510 1.00 0.00 C ATOM 805 O ARG A 52 6.280 5.707 3.721 1.00 0.00 O ATOM 806 CB ARG A 52 9.320 5.315 5.178 1.00 0.00 C ATOM 807 CG ARG A 52 8.531 5.414 6.501 1.00 0.00 C ATOM 808 CD ARG A 52 8.762 6.727 7.266 1.00 0.00 C ATOM 809 NE ARG A 52 8.305 6.619 8.668 1.00 0.00 N ATOM 810 CZ ARG A 52 8.676 7.382 9.684 1.00 0.00 C ATOM 811 NH1 ARG A 52 9.436 8.430 9.530 1.00 0.00 N1+ ATOM 812 NH2 ARG A 52 8.291 7.101 10.895 1.00 0.00 N ATOM 0 H ARG A 52 7.634 7.593 4.621 1.00 0.00 H new ATOM 0 HA ARG A 52 9.371 5.786 3.089 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.513 4.261 4.979 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.288 5.794 5.327 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.467 5.312 6.287 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.809 4.577 7.142 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.822 6.981 7.245 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.230 7.538 6.769 1.00 0.00 H new ATOM 0 HE ARG A 52 7.634 5.879 8.874 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.767 8.688 8.600 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.700 8.992 10.339 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.699 6.288 11.066 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.581 7.694 11.673 1.00 0.00 H new ATOM 826 N ASN A 53 7.542 4.005 2.945 1.00 0.00 N ATOM 827 CA ASN A 53 6.470 3.158 2.410 1.00 0.00 C ATOM 828 C ASN A 53 6.782 1.668 2.658 1.00 0.00 C ATOM 829 O ASN A 53 7.935 1.239 2.543 1.00 0.00 O ATOM 830 CB ASN A 53 6.334 3.464 0.905 1.00 0.00 C ATOM 831 CG ASN A 53 5.327 2.564 0.207 1.00 0.00 C ATOM 832 OD1 ASN A 53 5.668 1.546 -0.380 1.00 0.00 O ATOM 833 ND2 ASN A 53 4.055 2.886 0.268 1.00 0.00 N ATOM 0 H ASN A 53 8.462 3.577 2.842 1.00 0.00 H new ATOM 0 HA ASN A 53 5.527 3.370 2.913 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.034 4.504 0.776 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.307 3.351 0.427 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.356 2.288 -0.173 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.766 3.734 0.756 1.00 0.00 H new ATOM 840 N PHE A 54 5.752 0.884 2.984 1.00 0.00 N ATOM 841 CA PHE A 54 5.820 -0.569 3.192 1.00 0.00 C ATOM 842 C PHE A 54 4.456 -1.238 2.918 1.00 0.00 C ATOM 843 O PHE A 54 3.435 -0.552 2.779 1.00 0.00 O ATOM 844 CB PHE A 54 6.331 -0.870 4.617 1.00 0.00 C ATOM 845 CG PHE A 54 5.407 -0.475 5.759 1.00 0.00 C ATOM 846 CD1 PHE A 54 5.343 0.865 6.194 1.00 0.00 C ATOM 847 CD2 PHE A 54 4.636 -1.454 6.415 1.00 0.00 C ATOM 848 CE1 PHE A 54 4.503 1.222 7.265 1.00 0.00 C ATOM 849 CE2 PHE A 54 3.803 -1.098 7.492 1.00 0.00 C ATOM 850 CZ PHE A 54 3.734 0.240 7.915 1.00 0.00 C ATOM 0 H PHE A 54 4.811 1.255 3.116 1.00 0.00 H new ATOM 0 HA PHE A 54 6.526 -0.994 2.479 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.530 -1.939 4.691 1.00 0.00 H new ATOM 0 HB3 PHE A 54 7.284 -0.359 4.755 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.940 1.619 5.704 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.684 -2.483 6.090 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.449 2.251 7.588 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.217 -1.854 7.994 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.091 0.514 8.738 1.00 0.00 H new ATOM 860 N SER A 55 4.439 -2.577 2.848 1.00 0.00 N ATOM 861 CA SER A 55 3.257 -3.410 2.534 1.00 0.00 C ATOM 862 C SER A 55 2.809 -4.260 3.728 1.00 0.00 C ATOM 863 O SER A 55 1.597 -4.248 4.042 1.00 0.00 O ATOM 864 CB SER A 55 3.537 -4.322 1.335 1.00 0.00 C ATOM 865 OG SER A 55 3.786 -3.537 0.179 1.00 0.00 O ATOM 866 OXT SER A 55 3.664 -4.938 4.343 1.00 0.00 O1- ATOM 0 H SER A 55 5.276 -3.135 3.014 1.00 0.00 H new ATOM 0 HA SER A 55 2.448 -2.721 2.289 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.396 -4.959 1.545 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.686 -4.981 1.162 1.00 0.00 H new ATOM 0 HG SER A 55 3.966 -4.126 -0.584 1.00 0.00 H new TER 872 SER A 55 HETATM 873 ZN ZN A 101 14.017 7.079 14.308 1.00 0.00 ZN