USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 520 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 GLN : amide:sc= 0.802 K(o=1.6,f=-7.1!) USER MOD Set 1.2: A 66 LYS NZ :NH3+ 180:sc= 0.772 (180deg=-0.287) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.21) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 11 GLN : amide:sc= -0.119 K(o=-0.12,f=-1.2) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 102:sc= -0.103 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.942 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot -88:sc= 0.355 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0186 USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0287) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.088) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0351) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.571 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 6 0.946 -0.589 -0.273 1.00 74.53 N ATOM 2 CA TYR A 6 1.698 -0.615 -1.522 1.00 21.51 C ATOM 3 C TYR A 6 1.433 -1.906 -2.291 1.00 54.12 C ATOM 4 O TYR A 6 0.693 -2.775 -1.830 1.00 5.24 O ATOM 5 CB TYR A 6 3.195 -0.474 -1.242 1.00 43.05 C ATOM 6 CG TYR A 6 3.522 0.584 -0.213 1.00 33.02 C ATOM 7 CD1 TYR A 6 3.343 1.933 -0.493 1.00 65.01 C ATOM 8 CD2 TYR A 6 4.008 0.234 1.041 1.00 13.12 C ATOM 9 CE1 TYR A 6 3.641 2.903 0.445 1.00 62.25 C ATOM 10 CE2 TYR A 6 4.307 1.197 1.986 1.00 53.15 C ATOM 11 CZ TYR A 6 4.122 2.530 1.682 1.00 23.13 C ATOM 12 OH TYR A 6 4.419 3.493 2.620 1.00 73.15 O ATOM 0 HA TYR A 6 1.368 0.225 -2.133 1.00 21.51 H new ATOM 0 HB2 TYR A 6 3.584 -1.433 -0.901 1.00 43.05 H new ATOM 0 HB3 TYR A 6 3.709 -0.235 -2.173 1.00 43.05 H new ATOM 0 HD1 TYR A 6 2.964 2.229 -1.460 1.00 65.01 H new ATOM 0 HD2 TYR A 6 4.155 -0.809 1.281 1.00 13.12 H new ATOM 0 HE1 TYR A 6 3.498 3.947 0.210 1.00 62.25 H new ATOM 0 HE2 TYR A 6 4.683 0.908 2.956 1.00 53.15 H new ATOM 0 HH TYR A 6 4.746 3.063 3.438 1.00 73.15 H new ATOM 22 N GLN A 7 2.042 -2.022 -3.467 1.00 21.44 N ATOM 23 CA GLN A 7 1.872 -3.206 -4.301 1.00 20.23 C ATOM 24 C GLN A 7 1.977 -4.479 -3.467 1.00 64.13 C ATOM 25 O GLN A 7 2.160 -4.423 -2.251 1.00 72.00 O ATOM 26 CB GLN A 7 2.919 -3.225 -5.416 1.00 53.31 C ATOM 27 CG GLN A 7 2.819 -2.040 -6.364 1.00 74.50 C ATOM 28 CD GLN A 7 1.397 -1.777 -6.820 1.00 42.51 C ATOM 29 OE1 GLN A 7 0.877 -0.672 -6.661 1.00 40.24 O ATOM 30 NE2 GLN A 7 0.760 -2.792 -7.391 1.00 61.21 N ATOM 0 H GLN A 7 2.657 -1.311 -3.863 1.00 21.44 H new ATOM 0 HA GLN A 7 0.878 -3.166 -4.746 1.00 20.23 H new ATOM 0 HB2 GLN A 7 3.913 -3.240 -4.969 1.00 53.31 H new ATOM 0 HB3 GLN A 7 2.813 -4.147 -5.987 1.00 53.31 H new ATOM 0 HG2 GLN A 7 3.209 -1.150 -5.870 1.00 74.50 H new ATOM 0 HG3 GLN A 7 3.448 -2.222 -7.235 1.00 74.50 H new ATOM 0 HE21 GLN A 7 1.229 -3.691 -7.503 1.00 61.21 H new ATOM 0 HE22 GLN A 7 -0.199 -2.673 -7.718 1.00 61.21 H new ATOM 39 N ASP A 8 1.861 -5.625 -4.129 1.00 51.12 N ATOM 40 CA ASP A 8 1.944 -6.912 -3.449 1.00 73.55 C ATOM 41 C ASP A 8 2.930 -6.851 -2.287 1.00 14.20 C ATOM 42 O ASP A 8 2.715 -7.471 -1.246 1.00 12.11 O ATOM 43 CB ASP A 8 2.363 -8.006 -4.433 1.00 22.33 C ATOM 44 CG ASP A 8 1.330 -8.236 -5.518 1.00 44.15 C ATOM 45 OD1 ASP A 8 0.366 -8.990 -5.271 1.00 20.04 O ATOM 46 OD2 ASP A 8 1.486 -7.661 -6.616 1.00 11.12 O ATOM 0 H ASP A 8 1.709 -5.689 -5.136 1.00 51.12 H new ATOM 0 HA ASP A 8 0.957 -7.149 -3.052 1.00 73.55 H new ATOM 0 HB2 ASP A 8 3.313 -7.733 -4.892 1.00 22.33 H new ATOM 0 HB3 ASP A 8 2.527 -8.936 -3.889 1.00 22.33 H new ATOM 51 N GLN A 9 4.010 -6.100 -2.473 1.00 43.14 N ATOM 52 CA GLN A 9 5.030 -5.959 -1.440 1.00 72.44 C ATOM 53 C GLN A 9 4.393 -5.694 -0.080 1.00 63.40 C ATOM 54 O GLN A 9 4.749 -6.325 0.915 1.00 71.12 O ATOM 55 CB GLN A 9 5.993 -4.825 -1.796 1.00 30.43 C ATOM 56 CG GLN A 9 6.874 -4.390 -0.636 1.00 64.22 C ATOM 57 CD GLN A 9 7.746 -5.514 -0.112 1.00 32.35 C ATOM 58 OE1 GLN A 9 7.671 -5.877 1.063 1.00 50.12 O ATOM 59 NE2 GLN A 9 8.579 -6.073 -0.981 1.00 61.04 N ATOM 0 H GLN A 9 4.202 -5.580 -3.329 1.00 43.14 H new ATOM 0 HA GLN A 9 5.587 -6.894 -1.384 1.00 72.44 H new ATOM 0 HB2 GLN A 9 6.627 -5.144 -2.623 1.00 30.43 H new ATOM 0 HB3 GLN A 9 5.418 -3.968 -2.147 1.00 30.43 H new ATOM 0 HG2 GLN A 9 7.508 -3.563 -0.956 1.00 64.22 H new ATOM 0 HG3 GLN A 9 6.246 -4.016 0.172 1.00 64.22 H new ATOM 0 HE21 GLN A 9 8.609 -5.741 -1.945 1.00 61.04 H new ATOM 0 HE22 GLN A 9 9.190 -6.834 -0.685 1.00 61.04 H new ATOM 68 N GLU A 10 3.451 -4.757 -0.045 1.00 62.13 N ATOM 69 CA GLU A 10 2.767 -4.409 1.194 1.00 13.42 C ATOM 70 C GLU A 10 1.726 -5.464 1.556 1.00 21.34 C ATOM 71 O GLU A 10 1.563 -5.814 2.725 1.00 2.41 O ATOM 72 CB GLU A 10 2.096 -3.039 1.065 1.00 64.20 C ATOM 73 CG GLU A 10 1.522 -2.517 2.371 1.00 34.21 C ATOM 74 CD GLU A 10 0.123 -1.953 2.209 1.00 24.20 C ATOM 75 OE1 GLU A 10 -0.675 -2.551 1.458 1.00 20.42 O ATOM 76 OE2 GLU A 10 -0.172 -0.913 2.834 1.00 51.00 O ATOM 0 H GLU A 10 3.144 -4.226 -0.860 1.00 62.13 H new ATOM 0 HA GLU A 10 3.511 -4.369 1.990 1.00 13.42 H new ATOM 0 HB2 GLU A 10 2.824 -2.322 0.685 1.00 64.20 H new ATOM 0 HB3 GLU A 10 1.297 -3.103 0.327 1.00 64.20 H new ATOM 0 HG2 GLU A 10 1.502 -3.324 3.103 1.00 34.21 H new ATOM 0 HG3 GLU A 10 2.178 -1.743 2.768 1.00 34.21 H new ATOM 83 N GLN A 11 1.025 -5.967 0.545 1.00 0.03 N ATOM 84 CA GLN A 11 -0.001 -6.982 0.757 1.00 4.53 C ATOM 85 C GLN A 11 0.587 -8.217 1.432 1.00 12.44 C ATOM 86 O GLN A 11 -0.064 -8.850 2.263 1.00 21.25 O ATOM 87 CB GLN A 11 -0.645 -7.371 -0.574 1.00 31.30 C ATOM 88 CG GLN A 11 -1.152 -6.183 -1.375 1.00 74.33 C ATOM 89 CD GLN A 11 -2.200 -5.380 -0.629 1.00 63.41 C ATOM 90 OE1 GLN A 11 -2.859 -5.889 0.278 1.00 24.22 O ATOM 91 NE2 GLN A 11 -2.359 -4.118 -1.008 1.00 2.30 N ATOM 0 H GLN A 11 1.148 -5.689 -0.428 1.00 0.03 H new ATOM 0 HA GLN A 11 -0.764 -6.561 1.412 1.00 4.53 H new ATOM 0 HB2 GLN A 11 0.082 -7.919 -1.173 1.00 31.30 H new ATOM 0 HB3 GLN A 11 -1.476 -8.050 -0.381 1.00 31.30 H new ATOM 0 HG2 GLN A 11 -0.313 -5.534 -1.626 1.00 74.33 H new ATOM 0 HG3 GLN A 11 -1.573 -6.537 -2.316 1.00 74.33 H new ATOM 0 HE21 GLN A 11 -1.791 -3.737 -1.765 1.00 2.30 H new ATOM 0 HE22 GLN A 11 -3.049 -3.529 -0.542 1.00 2.30 H new ATOM 100 N ARG A 12 1.820 -8.553 1.069 1.00 21.13 N ATOM 101 CA ARG A 12 2.494 -9.714 1.639 1.00 44.52 C ATOM 102 C ARG A 12 2.874 -9.461 3.095 1.00 31.31 C ATOM 103 O ARG A 12 2.403 -10.154 3.998 1.00 2.51 O ATOM 104 CB ARG A 12 3.745 -10.053 0.826 1.00 2.01 C ATOM 105 CG ARG A 12 4.279 -11.452 1.086 1.00 70.34 C ATOM 106 CD ARG A 12 3.265 -12.516 0.695 1.00 23.42 C ATOM 107 NE ARG A 12 2.769 -12.327 -0.665 1.00 51.21 N ATOM 108 CZ ARG A 12 1.655 -12.886 -1.126 1.00 5.22 C ATOM 109 NH1 ARG A 12 0.926 -13.665 -0.339 1.00 3.11 N ATOM 110 NH2 ARG A 12 1.269 -12.665 -2.376 1.00 21.41 N ATOM 0 H ARG A 12 2.373 -8.038 0.383 1.00 21.13 H new ATOM 0 HA ARG A 12 1.805 -10.558 1.603 1.00 44.52 H new ATOM 0 HB2 ARG A 12 3.517 -9.952 -0.235 1.00 2.01 H new ATOM 0 HB3 ARG A 12 4.525 -9.327 1.055 1.00 2.01 H new ATOM 0 HG2 ARG A 12 5.200 -11.601 0.523 1.00 70.34 H new ATOM 0 HG3 ARG A 12 4.530 -11.557 2.142 1.00 70.34 H new ATOM 0 HD2 ARG A 12 3.723 -13.501 0.780 1.00 23.42 H new ATOM 0 HD3 ARG A 12 2.428 -12.492 1.393 1.00 23.42 H new ATOM 0 HE ARG A 12 3.307 -11.733 -1.296 1.00 51.21 H new ATOM 0 HH11 ARG A 12 1.220 -13.836 0.623 1.00 3.11 H new ATOM 0 HH12 ARG A 12 0.071 -14.093 -0.695 1.00 3.11 H new ATOM 0 HH21 ARG A 12 1.827 -12.066 -2.984 1.00 21.41 H new ATOM 0 HH22 ARG A 12 0.414 -13.094 -2.729 1.00 21.41 H new ATOM 124 N ILE A 13 3.727 -8.467 3.315 1.00 45.01 N ATOM 125 CA ILE A 13 4.169 -8.124 4.661 1.00 43.32 C ATOM 126 C ILE A 13 2.981 -7.839 5.573 1.00 3.15 C ATOM 127 O ILE A 13 3.082 -7.952 6.796 1.00 62.11 O ATOM 128 CB ILE A 13 5.101 -6.897 4.652 1.00 71.31 C ATOM 129 CG1 ILE A 13 4.320 -5.640 4.264 1.00 5.42 C ATOM 130 CG2 ILE A 13 6.263 -7.122 3.696 1.00 51.11 C ATOM 131 CD1 ILE A 13 5.176 -4.394 4.198 1.00 1.12 C ATOM 0 H ILE A 13 4.126 -7.885 2.579 1.00 45.01 H new ATOM 0 HA ILE A 13 4.719 -8.985 5.042 1.00 43.32 H new ATOM 0 HB ILE A 13 5.504 -6.757 5.655 1.00 71.31 H new ATOM 0 HG12 ILE A 13 3.849 -5.799 3.294 1.00 5.42 H new ATOM 0 HG13 ILE A 13 3.518 -5.483 4.986 1.00 5.42 H new ATOM 0 HG21 ILE A 13 6.913 -6.247 3.701 1.00 51.11 H new ATOM 0 HG22 ILE A 13 6.831 -7.997 4.013 1.00 51.11 H new ATOM 0 HG23 ILE A 13 5.879 -7.284 2.689 1.00 51.11 H new ATOM 0 HD11 ILE A 13 4.557 -3.542 3.917 1.00 1.12 H new ATOM 0 HD12 ILE A 13 5.626 -4.210 5.173 1.00 1.12 H new ATOM 0 HD13 ILE A 13 5.962 -4.532 3.456 1.00 1.12 H new ATOM 143 N LEU A 14 1.855 -7.471 4.972 1.00 4.32 N ATOM 144 CA LEU A 14 0.646 -7.171 5.730 1.00 34.35 C ATOM 145 C LEU A 14 -0.010 -8.452 6.238 1.00 41.23 C ATOM 146 O LEU A 14 -0.496 -8.508 7.368 1.00 64.33 O ATOM 147 CB LEU A 14 -0.342 -6.388 4.864 1.00 11.22 C ATOM 148 CG LEU A 14 -0.186 -4.867 4.877 1.00 50.23 C ATOM 149 CD1 LEU A 14 -1.168 -4.221 3.911 1.00 22.51 C ATOM 150 CD2 LEU A 14 -0.383 -4.322 6.284 1.00 71.11 C ATOM 0 H LEU A 14 1.754 -7.373 3.962 1.00 4.32 H new ATOM 0 HA LEU A 14 0.927 -6.563 6.590 1.00 34.35 H new ATOM 0 HB2 LEU A 14 -0.246 -6.734 3.835 1.00 11.22 H new ATOM 0 HB3 LEU A 14 -1.353 -6.632 5.190 1.00 11.22 H new ATOM 0 HG LEU A 14 0.825 -4.622 4.553 1.00 50.23 H new ATOM 0 HD11 LEU A 14 -1.042 -3.139 3.934 1.00 22.51 H new ATOM 0 HD12 LEU A 14 -0.980 -4.587 2.902 1.00 22.51 H new ATOM 0 HD13 LEU A 14 -2.187 -4.474 4.204 1.00 22.51 H new ATOM 0 HD21 LEU A 14 -0.268 -3.238 6.274 1.00 71.11 H new ATOM 0 HD22 LEU A 14 -1.382 -4.578 6.637 1.00 71.11 H new ATOM 0 HD23 LEU A 14 0.360 -4.759 6.951 1.00 71.11 H new ATOM 162 N LYS A 15 -0.018 -9.480 5.396 1.00 54.43 N ATOM 163 CA LYS A 15 -0.611 -10.762 5.758 1.00 5.35 C ATOM 164 C LYS A 15 0.330 -11.561 6.655 1.00 71.24 C ATOM 165 O LYS A 15 -0.070 -12.556 7.260 1.00 2.12 O ATOM 166 CB LYS A 15 -0.942 -11.568 4.501 1.00 42.03 C ATOM 167 CG LYS A 15 -1.911 -12.711 4.748 1.00 12.34 C ATOM 168 CD LYS A 15 -2.654 -13.096 3.480 1.00 34.35 C ATOM 169 CE LYS A 15 -3.909 -12.257 3.293 1.00 71.22 C ATOM 170 NZ LYS A 15 -4.628 -12.608 2.037 1.00 41.45 N ATOM 0 H LYS A 15 0.380 -9.450 4.457 1.00 54.43 H new ATOM 0 HA LYS A 15 -1.531 -10.566 6.308 1.00 5.35 H new ATOM 0 HB2 LYS A 15 -1.366 -10.899 3.752 1.00 42.03 H new ATOM 0 HB3 LYS A 15 -0.019 -11.970 4.084 1.00 42.03 H new ATOM 0 HG2 LYS A 15 -1.366 -13.575 5.128 1.00 12.34 H new ATOM 0 HG3 LYS A 15 -2.627 -12.422 5.517 1.00 12.34 H new ATOM 0 HD2 LYS A 15 -1.998 -12.968 2.619 1.00 34.35 H new ATOM 0 HD3 LYS A 15 -2.923 -14.151 3.521 1.00 34.35 H new ATOM 0 HE2 LYS A 15 -4.573 -12.402 4.145 1.00 71.22 H new ATOM 0 HE3 LYS A 15 -3.641 -11.201 3.275 1.00 71.22 H new ATOM 0 HZ1 LYS A 15 -5.477 -12.015 1.946 1.00 41.45 H new ATOM 0 HZ2 LYS A 15 -4.003 -12.445 1.222 1.00 41.45 H new ATOM 0 HZ3 LYS A 15 -4.907 -13.610 2.065 1.00 41.45 H new ATOM 184 N PHE A 16 1.581 -11.119 6.736 1.00 74.43 N ATOM 185 CA PHE A 16 2.578 -11.794 7.559 1.00 52.23 C ATOM 186 C PHE A 16 2.491 -11.328 9.009 1.00 30.22 C ATOM 187 O PHE A 16 2.107 -12.091 9.896 1.00 20.45 O ATOM 188 CB PHE A 16 3.983 -11.534 7.011 1.00 54.31 C ATOM 189 CG PHE A 16 4.359 -12.438 5.872 1.00 11.21 C ATOM 190 CD1 PHE A 16 3.458 -12.702 4.853 1.00 21.11 C ATOM 191 CD2 PHE A 16 5.613 -13.024 5.821 1.00 43.00 C ATOM 192 CE1 PHE A 16 3.801 -13.533 3.803 1.00 23.44 C ATOM 193 CE2 PHE A 16 5.962 -13.856 4.774 1.00 43.42 C ATOM 194 CZ PHE A 16 5.055 -14.112 3.764 1.00 12.34 C ATOM 0 H PHE A 16 1.928 -10.297 6.242 1.00 74.43 H new ATOM 0 HA PHE A 16 2.376 -12.865 7.527 1.00 52.23 H new ATOM 0 HB2 PHE A 16 4.049 -10.498 6.679 1.00 54.31 H new ATOM 0 HB3 PHE A 16 4.707 -11.657 7.816 1.00 54.31 H new ATOM 0 HD1 PHE A 16 2.476 -12.253 4.879 1.00 21.11 H new ATOM 0 HD2 PHE A 16 6.326 -12.829 6.608 1.00 43.00 H new ATOM 0 HE1 PHE A 16 3.090 -13.729 3.014 1.00 23.44 H new ATOM 0 HE2 PHE A 16 6.943 -14.306 4.746 1.00 43.42 H new ATOM 0 HZ PHE A 16 5.325 -14.763 2.946 1.00 12.34 H new ATOM 204 N LEU A 17 2.851 -10.071 9.243 1.00 53.00 N ATOM 205 CA LEU A 17 2.815 -9.502 10.586 1.00 55.13 C ATOM 206 C LEU A 17 1.429 -9.654 11.205 1.00 73.15 C ATOM 207 O LEU A 17 1.283 -9.673 12.426 1.00 2.32 O ATOM 208 CB LEU A 17 3.208 -8.024 10.545 1.00 20.25 C ATOM 209 CG LEU A 17 2.061 -7.029 10.363 1.00 24.05 C ATOM 210 CD1 LEU A 17 1.253 -7.368 9.121 1.00 53.21 C ATOM 211 CD2 LEU A 17 1.168 -7.013 11.595 1.00 23.35 C ATOM 0 H LEU A 17 3.171 -9.426 8.520 1.00 53.00 H new ATOM 0 HA LEU A 17 3.530 -10.045 11.204 1.00 55.13 H new ATOM 0 HB2 LEU A 17 3.729 -7.782 11.471 1.00 20.25 H new ATOM 0 HB3 LEU A 17 3.919 -7.880 9.732 1.00 20.25 H new ATOM 0 HG LEU A 17 2.486 -6.034 10.234 1.00 24.05 H new ATOM 0 HD11 LEU A 17 0.441 -6.649 9.008 1.00 53.21 H new ATOM 0 HD12 LEU A 17 1.899 -7.327 8.244 1.00 53.21 H new ATOM 0 HD13 LEU A 17 0.838 -8.371 9.219 1.00 53.21 H new ATOM 0 HD21 LEU A 17 0.357 -6.299 11.448 1.00 23.35 H new ATOM 0 HD22 LEU A 17 0.751 -8.007 11.755 1.00 23.35 H new ATOM 0 HD23 LEU A 17 1.755 -6.721 12.466 1.00 23.35 H new ATOM 223 N GLU A 18 0.414 -9.765 10.352 1.00 5.22 N ATOM 224 CA GLU A 18 -0.959 -9.917 10.816 1.00 34.15 C ATOM 225 C GLU A 18 -1.281 -11.383 11.093 1.00 70.14 C ATOM 226 O GLU A 18 -2.056 -11.699 11.995 1.00 64.31 O ATOM 227 CB GLU A 18 -1.936 -9.356 9.781 1.00 12.53 C ATOM 228 CG GLU A 18 -2.359 -10.369 8.730 1.00 5.45 C ATOM 229 CD GLU A 18 -3.320 -9.787 7.713 1.00 52.15 C ATOM 230 OE1 GLU A 18 -3.334 -8.549 7.551 1.00 54.51 O ATOM 231 OE2 GLU A 18 -4.058 -10.569 7.078 1.00 32.11 O ATOM 0 H GLU A 18 0.518 -9.752 9.337 1.00 5.22 H new ATOM 0 HA GLU A 18 -1.065 -9.358 11.746 1.00 34.15 H new ATOM 0 HB2 GLU A 18 -2.823 -8.986 10.295 1.00 12.53 H new ATOM 0 HB3 GLU A 18 -1.476 -8.502 9.285 1.00 12.53 H new ATOM 0 HG2 GLU A 18 -1.474 -10.744 8.215 1.00 5.45 H new ATOM 0 HG3 GLU A 18 -2.828 -11.222 9.221 1.00 5.45 H new ATOM 238 N GLU A 19 -0.680 -12.273 10.308 1.00 14.42 N ATOM 239 CA GLU A 19 -0.904 -13.705 10.467 1.00 12.34 C ATOM 240 C GLU A 19 -0.510 -14.164 11.868 1.00 35.42 C ATOM 241 O GLU A 19 -1.242 -14.914 12.516 1.00 23.43 O ATOM 242 CB GLU A 19 -0.110 -14.487 9.420 1.00 65.13 C ATOM 243 CG GLU A 19 0.037 -15.964 9.745 1.00 22.11 C ATOM 244 CD GLU A 19 0.705 -16.744 8.629 1.00 4.34 C ATOM 245 OE1 GLU A 19 1.930 -16.586 8.446 1.00 43.14 O ATOM 246 OE2 GLU A 19 0.002 -17.512 7.940 1.00 65.20 O ATOM 0 H GLU A 19 -0.035 -12.027 9.557 1.00 14.42 H new ATOM 0 HA GLU A 19 -1.967 -13.899 10.325 1.00 12.34 H new ATOM 0 HB2 GLU A 19 -0.601 -14.384 8.452 1.00 65.13 H new ATOM 0 HB3 GLU A 19 0.881 -14.045 9.323 1.00 65.13 H new ATOM 0 HG2 GLU A 19 0.620 -16.075 10.660 1.00 22.11 H new ATOM 0 HG3 GLU A 19 -0.948 -16.389 9.941 1.00 22.11 H new ATOM 253 N LEU A 20 0.650 -13.710 12.329 1.00 33.30 N ATOM 254 CA LEU A 20 1.142 -14.075 13.653 1.00 45.41 C ATOM 255 C LEU A 20 0.391 -13.315 14.742 1.00 61.14 C ATOM 256 O LEU A 20 0.165 -13.836 15.833 1.00 2.10 O ATOM 257 CB LEU A 20 2.641 -13.788 13.757 1.00 25.33 C ATOM 258 CG LEU A 20 3.034 -12.320 13.927 1.00 22.32 C ATOM 259 CD1 LEU A 20 3.124 -11.959 15.402 1.00 50.13 C ATOM 260 CD2 LEU A 20 4.354 -12.037 13.225 1.00 4.24 C ATOM 0 H LEU A 20 1.267 -13.089 11.806 1.00 33.30 H new ATOM 0 HA LEU A 20 0.971 -15.142 13.796 1.00 45.41 H new ATOM 0 HB2 LEU A 20 3.040 -14.350 14.601 1.00 25.33 H new ATOM 0 HB3 LEU A 20 3.127 -14.172 12.860 1.00 25.33 H new ATOM 0 HG LEU A 20 2.262 -11.701 13.469 1.00 22.32 H new ATOM 0 HD11 LEU A 20 3.405 -10.911 15.504 1.00 50.13 H new ATOM 0 HD12 LEU A 20 2.156 -12.123 15.876 1.00 50.13 H new ATOM 0 HD13 LEU A 20 3.875 -12.584 15.884 1.00 50.13 H new ATOM 0 HD21 LEU A 20 4.618 -10.988 13.356 1.00 4.24 H new ATOM 0 HD22 LEU A 20 5.136 -12.664 13.653 1.00 4.24 H new ATOM 0 HD23 LEU A 20 4.255 -12.256 12.162 1.00 4.24 H new ATOM 272 N GLY A 21 0.004 -12.080 14.435 1.00 22.34 N ATOM 273 CA GLY A 21 -0.720 -11.270 15.397 1.00 3.13 C ATOM 274 C GLY A 21 -0.702 -9.796 15.043 1.00 30.05 C ATOM 275 O GLY A 21 0.313 -9.122 15.216 1.00 21.52 O ATOM 0 H GLY A 21 0.179 -11.627 13.538 1.00 22.34 H new ATOM 0 HA2 GLY A 21 -1.753 -11.614 15.454 1.00 3.13 H new ATOM 0 HA3 GLY A 21 -0.283 -11.408 16.386 1.00 3.13 H new ATOM 279 N GLU A 22 -1.828 -9.295 14.545 1.00 11.14 N ATOM 280 CA GLU A 22 -1.936 -7.892 14.164 1.00 1.40 C ATOM 281 C GLU A 22 -1.732 -6.982 15.372 1.00 34.35 C ATOM 282 O GLU A 22 -2.554 -6.955 16.288 1.00 25.42 O ATOM 283 CB GLU A 22 -3.300 -7.616 13.529 1.00 74.23 C ATOM 284 CG GLU A 22 -3.306 -6.418 12.595 1.00 52.42 C ATOM 285 CD GLU A 22 -3.471 -5.104 13.333 1.00 15.52 C ATOM 286 OE1 GLU A 22 -4.613 -4.781 13.724 1.00 62.31 O ATOM 287 OE2 GLU A 22 -2.458 -4.397 13.520 1.00 34.43 O ATOM 0 H GLU A 22 -2.678 -9.839 14.396 1.00 11.14 H new ATOM 0 HA GLU A 22 -1.154 -7.680 13.435 1.00 1.40 H new ATOM 0 HB2 GLU A 22 -3.619 -8.499 12.975 1.00 74.23 H new ATOM 0 HB3 GLU A 22 -4.033 -7.453 14.319 1.00 74.23 H new ATOM 0 HG2 GLU A 22 -2.374 -6.398 12.029 1.00 52.42 H new ATOM 0 HG3 GLU A 22 -4.115 -6.529 11.873 1.00 52.42 H new ATOM 294 N GLY A 23 -0.630 -6.238 15.367 1.00 34.31 N ATOM 295 CA GLY A 23 -0.337 -5.338 16.467 1.00 35.44 C ATOM 296 C GLY A 23 0.748 -5.873 17.380 1.00 2.12 C ATOM 297 O GLY A 23 0.891 -5.423 18.518 1.00 70.54 O ATOM 0 H GLY A 23 0.065 -6.243 14.621 1.00 34.31 H new ATOM 0 HA2 GLY A 23 -0.029 -4.371 16.069 1.00 35.44 H new ATOM 0 HA3 GLY A 23 -1.245 -5.170 17.046 1.00 35.44 H new ATOM 301 N LYS A 24 1.516 -6.837 16.883 1.00 53.22 N ATOM 302 CA LYS A 24 2.594 -7.435 17.661 1.00 44.44 C ATOM 303 C LYS A 24 3.954 -7.072 17.073 1.00 5.11 C ATOM 304 O LYS A 24 4.041 -6.327 16.098 1.00 51.24 O ATOM 305 CB LYS A 24 2.436 -8.956 17.706 1.00 73.14 C ATOM 306 CG LYS A 24 1.325 -9.425 18.629 1.00 15.30 C ATOM 307 CD LYS A 24 1.126 -10.929 18.544 1.00 4.15 C ATOM 308 CE LYS A 24 1.958 -11.660 19.587 1.00 63.11 C ATOM 309 NZ LYS A 24 1.748 -13.133 19.531 1.00 33.20 N ATOM 0 H LYS A 24 1.411 -7.221 15.944 1.00 53.22 H new ATOM 0 HA LYS A 24 2.538 -7.040 18.676 1.00 44.44 H new ATOM 0 HB2 LYS A 24 2.239 -9.322 16.699 1.00 73.14 H new ATOM 0 HB3 LYS A 24 3.377 -9.401 18.029 1.00 73.14 H new ATOM 0 HG2 LYS A 24 1.562 -9.146 19.656 1.00 15.30 H new ATOM 0 HG3 LYS A 24 0.396 -8.919 18.367 1.00 15.30 H new ATOM 0 HD2 LYS A 24 0.072 -11.166 18.686 1.00 4.15 H new ATOM 0 HD3 LYS A 24 1.400 -11.278 17.548 1.00 4.15 H new ATOM 0 HE2 LYS A 24 3.014 -11.437 19.431 1.00 63.11 H new ATOM 0 HE3 LYS A 24 1.699 -11.294 20.580 1.00 63.11 H new ATOM 0 HZ1 LYS A 24 2.332 -13.595 20.257 1.00 33.20 H new ATOM 0 HZ2 LYS A 24 0.745 -13.348 19.705 1.00 33.20 H new ATOM 0 HZ3 LYS A 24 2.019 -13.487 18.592 1.00 33.20 H new ATOM 323 N ALA A 25 5.014 -7.605 17.673 1.00 41.14 N ATOM 324 CA ALA A 25 6.369 -7.340 17.206 1.00 4.11 C ATOM 325 C ALA A 25 6.962 -8.564 16.517 1.00 70.23 C ATOM 326 O ALA A 25 6.428 -9.669 16.622 1.00 10.11 O ATOM 327 CB ALA A 25 7.252 -6.907 18.367 1.00 0.24 C ATOM 0 H ALA A 25 4.960 -8.223 18.483 1.00 41.14 H new ATOM 0 HA ALA A 25 6.323 -6.531 16.477 1.00 4.11 H new ATOM 0 HB1 ALA A 25 8.261 -6.712 18.004 1.00 0.24 H new ATOM 0 HB2 ALA A 25 6.846 -6.000 18.814 1.00 0.24 H new ATOM 0 HB3 ALA A 25 7.282 -7.698 19.116 1.00 0.24 H new ATOM 333 N THR A 26 8.069 -8.361 15.809 1.00 23.54 N ATOM 334 CA THR A 26 8.733 -9.448 15.101 1.00 64.20 C ATOM 335 C THR A 26 10.240 -9.226 15.042 1.00 64.22 C ATOM 336 O THR A 26 10.732 -8.143 15.359 1.00 2.34 O ATOM 337 CB THR A 26 8.191 -9.598 13.667 1.00 63.00 C ATOM 338 OG1 THR A 26 8.781 -10.741 13.037 1.00 0.12 O ATOM 339 CG2 THR A 26 8.484 -8.352 12.845 1.00 63.12 C ATOM 0 H THR A 26 8.524 -7.454 15.711 1.00 23.54 H new ATOM 0 HA THR A 26 8.525 -10.362 15.658 1.00 64.20 H new ATOM 0 HB THR A 26 7.111 -9.732 13.723 1.00 63.00 H new ATOM 0 HG1 THR A 26 8.144 -11.486 13.049 1.00 0.12 H new ATOM 0 HG21 THR A 26 8.092 -8.481 11.836 1.00 63.12 H new ATOM 0 HG22 THR A 26 8.009 -7.489 13.311 1.00 63.12 H new ATOM 0 HG23 THR A 26 9.561 -8.192 12.798 1.00 63.12 H new ATOM 347 N THR A 27 10.971 -10.259 14.632 1.00 14.03 N ATOM 348 CA THR A 27 12.422 -10.177 14.532 1.00 42.41 C ATOM 349 C THR A 27 12.869 -10.102 13.076 1.00 22.44 C ATOM 350 O THR A 27 12.217 -10.650 12.188 1.00 13.32 O ATOM 351 CB THR A 27 13.101 -11.384 15.205 1.00 63.54 C ATOM 352 OG1 THR A 27 12.282 -12.550 15.061 1.00 60.03 O ATOM 353 CG2 THR A 27 13.350 -11.113 16.681 1.00 43.55 C ATOM 0 H THR A 27 10.580 -11.162 14.364 1.00 14.03 H new ATOM 0 HA THR A 27 12.724 -9.266 15.049 1.00 42.41 H new ATOM 0 HB THR A 27 14.061 -11.551 14.716 1.00 63.54 H new ATOM 0 HG1 THR A 27 12.722 -13.314 15.490 1.00 60.03 H new ATOM 0 HG21 THR A 27 13.830 -11.980 17.134 1.00 43.55 H new ATOM 0 HG22 THR A 27 13.998 -10.243 16.787 1.00 43.55 H new ATOM 0 HG23 THR A 27 12.401 -10.922 17.181 1.00 43.55 H new ATOM 361 N ALA A 28 13.986 -9.422 12.839 1.00 22.43 N ATOM 362 CA ALA A 28 14.522 -9.279 11.491 1.00 32.32 C ATOM 363 C ALA A 28 14.661 -10.636 10.809 1.00 41.01 C ATOM 364 O ALA A 28 14.323 -10.789 9.635 1.00 62.23 O ATOM 365 CB ALA A 28 15.865 -8.566 11.530 1.00 50.40 C ATOM 0 H ALA A 28 14.537 -8.961 13.563 1.00 22.43 H new ATOM 0 HA ALA A 28 13.822 -8.679 10.910 1.00 32.32 H new ATOM 0 HB1 ALA A 28 16.254 -8.466 10.516 1.00 50.40 H new ATOM 0 HB2 ALA A 28 15.739 -7.576 11.969 1.00 50.40 H new ATOM 0 HB3 ALA A 28 16.566 -9.144 12.132 1.00 50.40 H new ATOM 371 N HIS A 29 15.161 -11.618 11.552 1.00 63.33 N ATOM 372 CA HIS A 29 15.345 -12.963 11.018 1.00 64.04 C ATOM 373 C HIS A 29 14.000 -13.648 10.795 1.00 3.00 C ATOM 374 O HIS A 29 13.885 -14.558 9.974 1.00 34.00 O ATOM 375 CB HIS A 29 16.205 -13.798 11.966 1.00 24.35 C ATOM 376 CG HIS A 29 16.892 -14.949 11.297 1.00 52.32 C ATOM 377 ND1 HIS A 29 18.081 -14.820 10.610 1.00 12.54 N ATOM 378 CD2 HIS A 29 16.551 -16.256 11.212 1.00 14.25 C ATOM 379 CE1 HIS A 29 18.440 -15.997 10.131 1.00 23.04 C ATOM 380 NE2 HIS A 29 17.529 -16.886 10.483 1.00 12.12 N ATOM 0 H HIS A 29 15.446 -11.508 12.525 1.00 63.33 H new ATOM 0 HA HIS A 29 15.854 -12.879 10.058 1.00 64.04 H new ATOM 0 HB2 HIS A 29 16.956 -13.154 12.424 1.00 24.35 H new ATOM 0 HB3 HIS A 29 15.578 -14.179 12.772 1.00 24.35 H new ATOM 0 HD2 HIS A 29 15.673 -16.718 11.638 1.00 14.25 H new ATOM 0 HE1 HIS A 29 19.328 -16.198 9.550 1.00 23.04 H new ATOM 0 HE2 HIS A 29 17.549 -17.879 10.251 1.00 12.12 H new ATOM 388 N ASP A 30 12.988 -13.205 11.532 1.00 75.22 N ATOM 389 CA ASP A 30 11.650 -13.775 11.415 1.00 63.32 C ATOM 390 C ASP A 30 10.899 -13.160 10.238 1.00 35.54 C ATOM 391 O ASP A 30 10.185 -13.854 9.513 1.00 71.42 O ATOM 392 CB ASP A 30 10.865 -13.557 12.709 1.00 55.34 C ATOM 393 CG ASP A 30 9.474 -14.157 12.650 1.00 73.23 C ATOM 394 OD1 ASP A 30 8.540 -13.449 12.219 1.00 60.02 O ATOM 395 OD2 ASP A 30 9.319 -15.335 13.035 1.00 32.14 O ATOM 0 H ASP A 30 13.068 -12.453 12.217 1.00 75.22 H new ATOM 0 HA ASP A 30 11.751 -14.846 11.238 1.00 63.32 H new ATOM 0 HB2 ASP A 30 11.413 -13.998 13.542 1.00 55.34 H new ATOM 0 HB3 ASP A 30 10.788 -12.488 12.908 1.00 55.34 H new ATOM 400 N LEU A 31 11.062 -11.855 10.056 1.00 42.13 N ATOM 401 CA LEU A 31 10.398 -11.145 8.968 1.00 62.44 C ATOM 402 C LEU A 31 11.154 -11.331 7.656 1.00 52.34 C ATOM 403 O LEU A 31 10.563 -11.671 6.630 1.00 4.34 O ATOM 404 CB LEU A 31 10.285 -9.656 9.298 1.00 34.20 C ATOM 405 CG LEU A 31 11.584 -8.956 9.698 1.00 31.44 C ATOM 406 CD1 LEU A 31 12.162 -8.189 8.519 1.00 22.34 C ATOM 407 CD2 LEU A 31 11.346 -8.025 10.878 1.00 24.12 C ATOM 0 H LEU A 31 11.648 -11.266 10.648 1.00 42.13 H new ATOM 0 HA LEU A 31 9.397 -11.562 8.852 1.00 62.44 H new ATOM 0 HB2 LEU A 31 9.872 -9.142 8.430 1.00 34.20 H new ATOM 0 HB3 LEU A 31 9.567 -9.538 10.110 1.00 34.20 H new ATOM 0 HG LEU A 31 12.306 -9.715 10.000 1.00 31.44 H new ATOM 0 HD11 LEU A 31 13.086 -7.697 8.823 1.00 22.34 H new ATOM 0 HD12 LEU A 31 12.370 -8.880 7.702 1.00 22.34 H new ATOM 0 HD13 LEU A 31 11.445 -7.439 8.186 1.00 22.34 H new ATOM 0 HD21 LEU A 31 12.281 -7.535 11.149 1.00 24.12 H new ATOM 0 HD22 LEU A 31 10.608 -7.271 10.604 1.00 24.12 H new ATOM 0 HD23 LEU A 31 10.978 -8.601 11.727 1.00 24.12 H new ATOM 419 N SER A 32 12.463 -11.107 7.696 1.00 4.31 N ATOM 420 CA SER A 32 13.300 -11.247 6.510 1.00 30.41 C ATOM 421 C SER A 32 13.361 -12.703 6.058 1.00 72.23 C ATOM 422 O SER A 32 13.414 -12.992 4.863 1.00 25.11 O ATOM 423 CB SER A 32 14.712 -10.730 6.792 1.00 52.55 C ATOM 424 OG SER A 32 15.545 -11.764 7.285 1.00 3.33 O ATOM 0 H SER A 32 12.968 -10.828 8.537 1.00 4.31 H new ATOM 0 HA SER A 32 12.856 -10.654 5.710 1.00 30.41 H new ATOM 0 HB2 SER A 32 15.141 -10.318 5.879 1.00 52.55 H new ATOM 0 HB3 SER A 32 14.667 -9.918 7.518 1.00 52.55 H new ATOM 0 HG SER A 32 15.462 -11.814 8.260 1.00 3.33 H new ATOM 430 N GLY A 33 13.352 -13.617 7.023 1.00 20.33 N ATOM 431 CA GLY A 33 13.407 -15.032 6.706 1.00 72.33 C ATOM 432 C GLY A 33 12.112 -15.542 6.103 1.00 4.24 C ATOM 433 O GLY A 33 12.125 -16.280 5.118 1.00 42.53 O ATOM 0 H GLY A 33 13.308 -13.403 8.019 1.00 20.33 H new ATOM 0 HA2 GLY A 33 14.225 -15.214 6.009 1.00 72.33 H new ATOM 0 HA3 GLY A 33 13.629 -15.596 7.612 1.00 72.33 H new ATOM 437 N LYS A 34 10.991 -15.150 6.697 1.00 15.54 N ATOM 438 CA LYS A 34 9.681 -15.571 6.215 1.00 52.14 C ATOM 439 C LYS A 34 9.408 -15.010 4.823 1.00 72.34 C ATOM 440 O LYS A 34 8.778 -15.665 3.991 1.00 62.32 O ATOM 441 CB LYS A 34 8.587 -15.116 7.183 1.00 12.40 C ATOM 442 CG LYS A 34 8.418 -16.030 8.384 1.00 60.43 C ATOM 443 CD LYS A 34 7.751 -17.340 7.998 1.00 51.13 C ATOM 444 CE LYS A 34 7.029 -17.967 9.180 1.00 31.42 C ATOM 445 NZ LYS A 34 6.088 -19.039 8.751 1.00 64.13 N ATOM 0 H LYS A 34 10.963 -14.540 7.514 1.00 15.54 H new ATOM 0 HA LYS A 34 9.676 -16.659 6.157 1.00 52.14 H new ATOM 0 HB2 LYS A 34 8.819 -14.110 7.533 1.00 12.40 H new ATOM 0 HB3 LYS A 34 7.640 -15.057 6.646 1.00 12.40 H new ATOM 0 HG2 LYS A 34 9.393 -16.234 8.827 1.00 60.43 H new ATOM 0 HG3 LYS A 34 7.821 -15.527 9.144 1.00 60.43 H new ATOM 0 HD2 LYS A 34 7.042 -17.164 7.189 1.00 51.13 H new ATOM 0 HD3 LYS A 34 8.501 -18.034 7.619 1.00 51.13 H new ATOM 0 HE2 LYS A 34 7.760 -18.382 9.873 1.00 31.42 H new ATOM 0 HE3 LYS A 34 6.479 -17.196 9.720 1.00 31.42 H new ATOM 0 HZ1 LYS A 34 5.616 -19.441 9.586 1.00 64.13 H new ATOM 0 HZ2 LYS A 34 5.375 -18.638 8.109 1.00 64.13 H new ATOM 0 HZ3 LYS A 34 6.616 -19.787 8.258 1.00 64.13 H new ATOM 459 N LEU A 35 9.886 -13.796 4.575 1.00 40.13 N ATOM 460 CA LEU A 35 9.695 -13.148 3.282 1.00 52.50 C ATOM 461 C LEU A 35 10.775 -13.575 2.294 1.00 42.55 C ATOM 462 O LEU A 35 10.593 -13.480 1.080 1.00 24.15 O ATOM 463 CB LEU A 35 9.709 -11.627 3.445 1.00 0.41 C ATOM 464 CG LEU A 35 8.633 -11.039 4.359 1.00 71.50 C ATOM 465 CD1 LEU A 35 9.087 -9.704 4.929 1.00 74.45 C ATOM 466 CD2 LEU A 35 7.321 -10.881 3.605 1.00 73.43 C ATOM 0 H LEU A 35 10.409 -13.240 5.252 1.00 40.13 H new ATOM 0 HA LEU A 35 8.726 -13.456 2.888 1.00 52.50 H new ATOM 0 HB2 LEU A 35 10.685 -11.332 3.830 1.00 0.41 H new ATOM 0 HB3 LEU A 35 9.606 -11.175 2.458 1.00 0.41 H new ATOM 0 HG LEU A 35 8.472 -11.728 5.188 1.00 71.50 H new ATOM 0 HD11 LEU A 35 8.308 -9.301 5.577 1.00 74.45 H new ATOM 0 HD12 LEU A 35 10.001 -9.847 5.506 1.00 74.45 H new ATOM 0 HD13 LEU A 35 9.278 -9.006 4.114 1.00 74.45 H new ATOM 0 HD21 LEU A 35 6.567 -10.461 4.271 1.00 73.43 H new ATOM 0 HD22 LEU A 35 7.467 -10.213 2.756 1.00 73.43 H new ATOM 0 HD23 LEU A 35 6.987 -11.855 3.247 1.00 73.43 H new ATOM 478 N GLY A 36 11.900 -14.047 2.822 1.00 63.03 N ATOM 479 CA GLY A 36 12.993 -14.484 1.972 1.00 54.31 C ATOM 480 C GLY A 36 13.804 -13.324 1.429 1.00 21.21 C ATOM 481 O GLY A 36 14.439 -13.437 0.380 1.00 73.23 O ATOM 0 H GLY A 36 12.074 -14.135 3.823 1.00 63.03 H new ATOM 0 HA2 GLY A 36 13.647 -15.147 2.538 1.00 54.31 H new ATOM 0 HA3 GLY A 36 12.593 -15.065 1.141 1.00 54.31 H new ATOM 485 N THR A 37 13.784 -12.203 2.144 1.00 32.51 N ATOM 486 CA THR A 37 14.521 -11.017 1.727 1.00 73.31 C ATOM 487 C THR A 37 15.819 -10.872 2.512 1.00 22.31 C ATOM 488 O THR A 37 15.982 -11.429 3.598 1.00 34.11 O ATOM 489 CB THR A 37 13.679 -9.740 1.909 1.00 72.23 C ATOM 490 OG1 THR A 37 12.818 -9.878 3.044 1.00 32.55 O ATOM 491 CG2 THR A 37 12.847 -9.459 0.667 1.00 71.25 C ATOM 0 H THR A 37 13.265 -12.092 3.015 1.00 32.51 H new ATOM 0 HA THR A 37 14.752 -11.144 0.669 1.00 73.31 H new ATOM 0 HB THR A 37 14.359 -8.903 2.069 1.00 72.23 H new ATOM 0 HG1 THR A 37 12.288 -9.061 3.153 1.00 32.55 H new ATOM 0 HG21 THR A 37 12.261 -8.553 0.819 1.00 71.25 H new ATOM 0 HG22 THR A 37 13.507 -9.325 -0.190 1.00 71.25 H new ATOM 0 HG23 THR A 37 12.176 -10.298 0.481 1.00 71.25 H new ATOM 499 N PRO A 38 16.768 -10.106 1.953 1.00 75.23 N ATOM 500 CA PRO A 38 18.069 -9.869 2.585 1.00 73.31 C ATOM 501 C PRO A 38 17.958 -8.995 3.829 1.00 10.40 C ATOM 502 O PRO A 38 17.060 -8.159 3.936 1.00 60.05 O ATOM 503 CB PRO A 38 18.867 -9.150 1.495 1.00 51.12 C ATOM 504 CG PRO A 38 17.837 -8.499 0.638 1.00 13.42 C ATOM 505 CD PRO A 38 16.642 -9.412 0.660 1.00 3.02 C ATOM 0 HA PRO A 38 18.530 -10.795 2.929 1.00 73.31 H new ATOM 0 HB2 PRO A 38 19.548 -8.415 1.923 1.00 51.12 H new ATOM 0 HB3 PRO A 38 19.474 -9.851 0.921 1.00 51.12 H new ATOM 0 HG2 PRO A 38 17.580 -7.511 1.019 1.00 13.42 H new ATOM 0 HG3 PRO A 38 18.205 -8.362 -0.379 1.00 13.42 H new ATOM 0 HD2 PRO A 38 15.708 -8.854 0.593 1.00 3.02 H new ATOM 0 HD3 PRO A 38 16.656 -10.112 -0.175 1.00 3.02 H new ATOM 513 N LYS A 39 18.877 -9.191 4.769 1.00 74.44 N ATOM 514 CA LYS A 39 18.884 -8.420 6.006 1.00 41.43 C ATOM 515 C LYS A 39 19.155 -6.945 5.725 1.00 13.12 C ATOM 516 O LYS A 39 18.658 -6.067 6.431 1.00 51.43 O ATOM 517 CB LYS A 39 19.940 -8.969 6.967 1.00 22.03 C ATOM 518 CG LYS A 39 19.820 -8.422 8.379 1.00 23.23 C ATOM 519 CD LYS A 39 21.128 -8.554 9.141 1.00 4.22 C ATOM 520 CE LYS A 39 21.296 -7.435 10.158 1.00 32.44 C ATOM 521 NZ LYS A 39 21.662 -6.146 9.510 1.00 51.12 N ATOM 0 H LYS A 39 19.627 -9.878 4.697 1.00 74.44 H new ATOM 0 HA LYS A 39 17.900 -8.510 6.467 1.00 41.43 H new ATOM 0 HB2 LYS A 39 19.860 -10.056 6.999 1.00 22.03 H new ATOM 0 HB3 LYS A 39 20.931 -8.734 6.578 1.00 22.03 H new ATOM 0 HG2 LYS A 39 19.525 -7.373 8.340 1.00 23.23 H new ATOM 0 HG3 LYS A 39 19.032 -8.955 8.911 1.00 23.23 H new ATOM 0 HD2 LYS A 39 21.158 -9.517 9.650 1.00 4.22 H new ATOM 0 HD3 LYS A 39 21.962 -8.538 8.440 1.00 4.22 H new ATOM 0 HE2 LYS A 39 20.368 -7.310 10.717 1.00 32.44 H new ATOM 0 HE3 LYS A 39 22.067 -7.711 10.878 1.00 32.44 H new ATOM 0 HZ1 LYS A 39 21.932 -5.455 10.239 1.00 51.12 H new ATOM 0 HZ2 LYS A 39 22.462 -6.297 8.863 1.00 51.12 H new ATOM 0 HZ3 LYS A 39 20.848 -5.783 8.974 1.00 51.12 H new ATOM 535 N LYS A 40 19.944 -6.679 4.690 1.00 22.41 N ATOM 536 CA LYS A 40 20.279 -5.311 4.314 1.00 61.12 C ATOM 537 C LYS A 40 19.035 -4.549 3.870 1.00 14.32 C ATOM 538 O LYS A 40 18.976 -3.324 3.977 1.00 73.35 O ATOM 539 CB LYS A 40 21.319 -5.309 3.191 1.00 73.13 C ATOM 540 CG LYS A 40 22.734 -5.580 3.671 1.00 12.24 C ATOM 541 CD LYS A 40 23.737 -5.483 2.534 1.00 21.22 C ATOM 542 CE LYS A 40 23.510 -6.572 1.497 1.00 63.31 C ATOM 543 NZ LYS A 40 24.736 -6.836 0.693 1.00 73.30 N ATOM 0 H LYS A 40 20.364 -7.394 4.096 1.00 22.41 H new ATOM 0 HA LYS A 40 20.697 -4.812 5.189 1.00 61.12 H new ATOM 0 HB2 LYS A 40 21.045 -6.062 2.452 1.00 73.13 H new ATOM 0 HB3 LYS A 40 21.294 -4.343 2.686 1.00 73.13 H new ATOM 0 HG2 LYS A 40 22.997 -4.866 4.451 1.00 12.24 H new ATOM 0 HG3 LYS A 40 22.784 -6.573 4.117 1.00 12.24 H new ATOM 0 HD2 LYS A 40 23.657 -4.505 2.060 1.00 21.22 H new ATOM 0 HD3 LYS A 40 24.749 -5.563 2.932 1.00 21.22 H new ATOM 0 HE2 LYS A 40 23.198 -7.490 1.996 1.00 63.31 H new ATOM 0 HE3 LYS A 40 22.697 -6.278 0.833 1.00 63.31 H new ATOM 0 HZ1 LYS A 40 24.541 -7.584 -0.002 1.00 73.30 H new ATOM 0 HZ2 LYS A 40 25.019 -5.967 0.197 1.00 73.30 H new ATOM 0 HZ3 LYS A 40 25.505 -7.141 1.323 1.00 73.30 H new ATOM 557 N GLU A 41 18.042 -5.282 3.374 1.00 4.45 N ATOM 558 CA GLU A 41 16.799 -4.673 2.916 1.00 43.21 C ATOM 559 C GLU A 41 15.875 -4.371 4.092 1.00 30.11 C ATOM 560 O GLU A 41 15.513 -3.219 4.331 1.00 42.52 O ATOM 561 CB GLU A 41 16.091 -5.594 1.920 1.00 4.20 C ATOM 562 CG GLU A 41 14.749 -5.062 1.447 1.00 42.43 C ATOM 563 CD GLU A 41 13.586 -5.621 2.243 1.00 61.35 C ATOM 564 OE1 GLU A 41 13.667 -6.794 2.664 1.00 35.12 O ATOM 565 OE2 GLU A 41 12.596 -4.887 2.443 1.00 21.44 O ATOM 0 H GLU A 41 18.075 -6.297 3.279 1.00 4.45 H new ATOM 0 HA GLU A 41 17.045 -3.734 2.420 1.00 43.21 H new ATOM 0 HB2 GLU A 41 16.737 -5.746 1.056 1.00 4.20 H new ATOM 0 HB3 GLU A 41 15.943 -6.570 2.382 1.00 4.20 H new ATOM 0 HG2 GLU A 41 14.747 -3.975 1.522 1.00 42.43 H new ATOM 0 HG3 GLU A 41 14.615 -5.309 0.394 1.00 42.43 H new ATOM 572 N ILE A 42 15.497 -5.415 4.822 1.00 12.34 N ATOM 573 CA ILE A 42 14.616 -5.262 5.973 1.00 14.24 C ATOM 574 C ILE A 42 15.177 -4.248 6.965 1.00 70.13 C ATOM 575 O ILE A 42 14.429 -3.597 7.693 1.00 54.22 O ATOM 576 CB ILE A 42 14.397 -6.604 6.697 1.00 53.40 C ATOM 577 CG1 ILE A 42 15.735 -7.181 7.162 1.00 31.24 C ATOM 578 CG2 ILE A 42 13.678 -7.586 5.785 1.00 60.34 C ATOM 579 CD1 ILE A 42 16.143 -6.723 8.545 1.00 12.10 C ATOM 0 H ILE A 42 15.787 -6.375 4.637 1.00 12.34 H new ATOM 0 HA ILE A 42 13.660 -4.903 5.592 1.00 14.24 H new ATOM 0 HB ILE A 42 13.774 -6.430 7.574 1.00 53.40 H new ATOM 0 HG12 ILE A 42 15.675 -8.269 7.151 1.00 31.24 H new ATOM 0 HG13 ILE A 42 16.511 -6.897 6.451 1.00 31.24 H new ATOM 0 HG21 ILE A 42 13.530 -8.529 6.310 1.00 60.34 H new ATOM 0 HG22 ILE A 42 12.710 -7.175 5.499 1.00 60.34 H new ATOM 0 HG23 ILE A 42 14.278 -7.758 4.891 1.00 60.34 H new ATOM 0 HD11 ILE A 42 17.101 -7.171 8.809 1.00 12.10 H new ATOM 0 HD12 ILE A 42 16.235 -5.637 8.556 1.00 12.10 H new ATOM 0 HD13 ILE A 42 15.387 -7.030 9.268 1.00 12.10 H new ATOM 591 N ALA A 43 16.500 -4.119 6.986 1.00 75.14 N ATOM 592 CA ALA A 43 17.161 -3.182 7.885 1.00 45.25 C ATOM 593 C ALA A 43 17.033 -1.750 7.376 1.00 12.23 C ATOM 594 O ALA A 43 17.021 -0.801 8.161 1.00 21.42 O ATOM 595 CB ALA A 43 18.627 -3.555 8.050 1.00 21.34 C ATOM 0 H ALA A 43 17.134 -4.652 6.391 1.00 75.14 H new ATOM 0 HA ALA A 43 16.670 -3.241 8.856 1.00 45.25 H new ATOM 0 HB1 ALA A 43 19.109 -2.847 8.724 1.00 21.34 H new ATOM 0 HB2 ALA A 43 18.702 -4.560 8.465 1.00 21.34 H new ATOM 0 HB3 ALA A 43 19.121 -3.526 7.079 1.00 21.34 H new ATOM 601 N ARG A 44 16.937 -1.601 6.059 1.00 1.42 N ATOM 602 CA ARG A 44 16.811 -0.284 5.447 1.00 43.43 C ATOM 603 C ARG A 44 15.351 0.155 5.397 1.00 52.53 C ATOM 604 O ARG A 44 15.040 1.335 5.563 1.00 41.11 O ATOM 605 CB ARG A 44 17.400 -0.296 4.035 1.00 72.13 C ATOM 606 CG ARG A 44 18.826 0.226 3.964 1.00 35.14 C ATOM 607 CD ARG A 44 18.859 1.743 3.863 1.00 21.23 C ATOM 608 NE ARG A 44 20.201 2.276 4.081 1.00 0.33 N ATOM 609 CZ ARG A 44 20.461 3.570 4.237 1.00 64.42 C ATOM 610 NH1 ARG A 44 19.477 4.457 4.199 1.00 32.31 N ATOM 611 NH2 ARG A 44 21.709 3.978 4.431 1.00 30.31 N ATOM 0 H ARG A 44 16.944 -2.376 5.396 1.00 1.42 H new ATOM 0 HA ARG A 44 17.365 0.428 6.059 1.00 43.43 H new ATOM 0 HB2 ARG A 44 17.376 -1.315 3.649 1.00 72.13 H new ATOM 0 HB3 ARG A 44 16.769 0.307 3.382 1.00 72.13 H new ATOM 0 HG2 ARG A 44 19.376 -0.093 4.849 1.00 35.14 H new ATOM 0 HG3 ARG A 44 19.331 -0.208 3.101 1.00 35.14 H new ATOM 0 HD2 ARG A 44 18.503 2.049 2.879 1.00 21.23 H new ATOM 0 HD3 ARG A 44 18.175 2.170 4.597 1.00 21.23 H new ATOM 0 HE ARG A 44 20.981 1.620 4.115 1.00 0.33 H new ATOM 0 HH11 ARG A 44 18.517 4.147 4.050 1.00 32.31 H new ATOM 0 HH12 ARG A 44 19.680 5.449 4.319 1.00 32.31 H new ATOM 0 HH21 ARG A 44 22.469 3.298 4.460 1.00 30.31 H new ATOM 0 HH22 ARG A 44 21.908 4.971 4.551 1.00 30.31 H new ATOM 625 N VAL A 45 14.458 -0.802 5.166 1.00 11.11 N ATOM 626 CA VAL A 45 13.030 -0.515 5.095 1.00 42.33 C ATOM 627 C VAL A 45 12.479 -0.126 6.462 1.00 73.51 C ATOM 628 O VAL A 45 11.647 0.775 6.575 1.00 35.30 O ATOM 629 CB VAL A 45 12.241 -1.724 4.559 1.00 15.22 C ATOM 630 CG1 VAL A 45 10.747 -1.439 4.583 1.00 35.12 C ATOM 631 CG2 VAL A 45 12.701 -2.080 3.154 1.00 62.50 C ATOM 0 H VAL A 45 14.698 -1.783 5.025 1.00 11.11 H new ATOM 0 HA VAL A 45 12.909 0.322 4.407 1.00 42.33 H new ATOM 0 HB VAL A 45 12.435 -2.579 5.207 1.00 15.22 H new ATOM 0 HG11 VAL A 45 10.205 -2.304 4.201 1.00 35.12 H new ATOM 0 HG12 VAL A 45 10.432 -1.237 5.607 1.00 35.12 H new ATOM 0 HG13 VAL A 45 10.532 -0.572 3.959 1.00 35.12 H new ATOM 0 HG21 VAL A 45 12.133 -2.936 2.791 1.00 62.50 H new ATOM 0 HG22 VAL A 45 12.539 -1.230 2.492 1.00 62.50 H new ATOM 0 HG23 VAL A 45 13.762 -2.329 3.171 1.00 62.50 H new ATOM 641 N LEU A 46 12.948 -0.812 7.499 1.00 54.40 N ATOM 642 CA LEU A 46 12.502 -0.538 8.861 1.00 70.40 C ATOM 643 C LEU A 46 12.869 0.882 9.279 1.00 31.35 C ATOM 644 O LEU A 46 12.080 1.573 9.923 1.00 50.22 O ATOM 645 CB LEU A 46 13.121 -1.545 9.833 1.00 41.34 C ATOM 646 CG LEU A 46 12.295 -2.800 10.115 1.00 23.22 C ATOM 647 CD1 LEU A 46 13.101 -3.796 10.936 1.00 51.54 C ATOM 648 CD2 LEU A 46 11.003 -2.438 10.832 1.00 74.11 C ATOM 0 H LEU A 46 13.636 -1.561 7.423 1.00 54.40 H new ATOM 0 HA LEU A 46 11.417 -0.635 8.889 1.00 70.40 H new ATOM 0 HB2 LEU A 46 14.089 -1.853 9.438 1.00 41.34 H new ATOM 0 HB3 LEU A 46 13.309 -1.038 10.779 1.00 41.34 H new ATOM 0 HG LEU A 46 12.041 -3.266 9.163 1.00 23.22 H new ATOM 0 HD11 LEU A 46 12.497 -4.683 11.127 1.00 51.54 H new ATOM 0 HD12 LEU A 46 13.998 -4.079 10.386 1.00 51.54 H new ATOM 0 HD13 LEU A 46 13.386 -3.340 11.884 1.00 51.54 H new ATOM 0 HD21 LEU A 46 10.428 -3.344 11.025 1.00 74.11 H new ATOM 0 HD22 LEU A 46 11.236 -1.948 11.777 1.00 74.11 H new ATOM 0 HD23 LEU A 46 10.418 -1.762 10.208 1.00 74.11 H new ATOM 660 N ALA A 47 14.071 1.311 8.908 1.00 74.31 N ATOM 661 CA ALA A 47 14.540 2.650 9.241 1.00 63.21 C ATOM 662 C ALA A 47 13.882 3.699 8.352 1.00 13.42 C ATOM 663 O ALA A 47 13.814 4.875 8.710 1.00 43.43 O ATOM 664 CB ALA A 47 16.055 2.724 9.115 1.00 12.34 C ATOM 0 H ALA A 47 14.737 0.750 8.377 1.00 74.31 H new ATOM 0 HA ALA A 47 14.261 2.860 10.273 1.00 63.21 H new ATOM 0 HB1 ALA A 47 16.392 3.730 9.366 1.00 12.34 H new ATOM 0 HB2 ALA A 47 16.512 2.007 9.797 1.00 12.34 H new ATOM 0 HB3 ALA A 47 16.347 2.489 8.091 1.00 12.34 H new ATOM 670 N SER A 48 13.398 3.267 7.192 1.00 31.23 N ATOM 671 CA SER A 48 12.748 4.171 6.250 1.00 25.41 C ATOM 672 C SER A 48 11.283 4.380 6.620 1.00 61.31 C ATOM 673 O SER A 48 10.682 5.397 6.272 1.00 73.34 O ATOM 674 CB SER A 48 12.853 3.619 4.827 1.00 43.21 C ATOM 675 OG SER A 48 12.857 4.667 3.873 1.00 43.11 O ATOM 0 H SER A 48 13.444 2.296 6.882 1.00 31.23 H new ATOM 0 HA SER A 48 13.257 5.134 6.298 1.00 25.41 H new ATOM 0 HB2 SER A 48 13.765 3.030 4.728 1.00 43.21 H new ATOM 0 HB3 SER A 48 12.017 2.948 4.631 1.00 43.21 H new ATOM 0 HG SER A 48 12.926 4.289 2.972 1.00 43.11 H new ATOM 681 N LEU A 49 10.714 3.410 7.328 1.00 42.22 N ATOM 682 CA LEU A 49 9.319 3.486 7.746 1.00 12.32 C ATOM 683 C LEU A 49 9.177 4.307 9.024 1.00 43.31 C ATOM 684 O LEU A 49 8.253 5.108 9.160 1.00 50.24 O ATOM 685 CB LEU A 49 8.754 2.082 7.964 1.00 72.51 C ATOM 686 CG LEU A 49 7.963 1.488 6.798 1.00 71.14 C ATOM 687 CD1 LEU A 49 6.719 2.317 6.520 1.00 75.22 C ATOM 688 CD2 LEU A 49 8.834 1.397 5.553 1.00 5.54 C ATOM 0 H LEU A 49 11.197 2.562 7.624 1.00 42.22 H new ATOM 0 HA LEU A 49 8.755 3.979 6.954 1.00 12.32 H new ATOM 0 HB2 LEU A 49 9.581 1.411 8.195 1.00 72.51 H new ATOM 0 HB3 LEU A 49 8.108 2.104 8.841 1.00 72.51 H new ATOM 0 HG LEU A 49 7.650 0.481 7.073 1.00 71.14 H new ATOM 0 HD11 LEU A 49 6.169 1.879 5.687 1.00 75.22 H new ATOM 0 HD12 LEU A 49 6.085 2.331 7.407 1.00 75.22 H new ATOM 0 HD13 LEU A 49 7.010 3.336 6.267 1.00 75.22 H new ATOM 0 HD21 LEU A 49 8.254 0.972 4.734 1.00 5.54 H new ATOM 0 HD22 LEU A 49 9.178 2.394 5.276 1.00 5.54 H new ATOM 0 HD23 LEU A 49 9.695 0.760 5.757 1.00 5.54 H new ATOM 700 N ALA A 50 10.101 4.104 9.957 1.00 23.32 N ATOM 701 CA ALA A 50 10.082 4.828 11.222 1.00 40.00 C ATOM 702 C ALA A 50 10.216 6.330 10.996 1.00 13.24 C ATOM 703 O ALA A 50 9.910 7.131 11.880 1.00 1.12 O ATOM 704 CB ALA A 50 11.193 4.328 12.133 1.00 2.23 C ATOM 0 H ALA A 50 10.873 3.444 9.861 1.00 23.32 H new ATOM 0 HA ALA A 50 9.122 4.644 11.704 1.00 40.00 H new ATOM 0 HB1 ALA A 50 11.167 4.877 13.074 1.00 2.23 H new ATOM 0 HB2 ALA A 50 11.052 3.265 12.329 1.00 2.23 H new ATOM 0 HB3 ALA A 50 12.157 4.483 11.649 1.00 2.23 H new ATOM 710 N LYS A 51 10.675 6.707 9.808 1.00 71.32 N ATOM 711 CA LYS A 51 10.849 8.113 9.465 1.00 40.12 C ATOM 712 C LYS A 51 9.571 8.901 9.734 1.00 51.05 C ATOM 713 O LYS A 51 9.616 10.096 10.025 1.00 13.34 O ATOM 714 CB LYS A 51 11.248 8.255 7.994 1.00 25.03 C ATOM 715 CG LYS A 51 10.080 8.133 7.032 1.00 14.40 C ATOM 716 CD LYS A 51 10.538 8.206 5.585 1.00 25.23 C ATOM 717 CE LYS A 51 9.389 7.952 4.622 1.00 33.35 C ATOM 718 NZ LYS A 51 9.803 8.132 3.204 1.00 63.24 N ATOM 0 H LYS A 51 10.934 6.057 9.065 1.00 71.32 H new ATOM 0 HA LYS A 51 11.644 8.518 10.092 1.00 40.12 H new ATOM 0 HB2 LYS A 51 11.728 9.223 7.848 1.00 25.03 H new ATOM 0 HB3 LYS A 51 11.988 7.492 7.752 1.00 25.03 H new ATOM 0 HG2 LYS A 51 9.563 7.189 7.204 1.00 14.40 H new ATOM 0 HG3 LYS A 51 9.362 8.929 7.228 1.00 14.40 H new ATOM 0 HD2 LYS A 51 10.969 9.188 5.388 1.00 25.23 H new ATOM 0 HD3 LYS A 51 11.326 7.472 5.414 1.00 25.23 H new ATOM 0 HE2 LYS A 51 9.013 6.939 4.765 1.00 33.35 H new ATOM 0 HE3 LYS A 51 8.568 8.632 4.849 1.00 33.35 H new ATOM 0 HZ1 LYS A 51 8.991 7.950 2.580 1.00 63.24 H new ATOM 0 HZ2 LYS A 51 10.138 9.106 3.061 1.00 63.24 H new ATOM 0 HZ3 LYS A 51 10.569 7.466 2.979 1.00 63.24 H new ATOM 732 N LYS A 52 8.432 8.224 9.635 1.00 60.22 N ATOM 733 CA LYS A 52 7.141 8.859 9.870 1.00 72.12 C ATOM 734 C LYS A 52 6.602 8.501 11.251 1.00 12.12 C ATOM 735 O LYS A 52 5.674 9.137 11.750 1.00 60.41 O ATOM 736 CB LYS A 52 6.138 8.436 8.794 1.00 32.11 C ATOM 737 CG LYS A 52 6.199 6.957 8.454 1.00 71.15 C ATOM 738 CD LYS A 52 4.920 6.486 7.781 1.00 2.30 C ATOM 739 CE LYS A 52 5.089 5.105 7.168 1.00 72.41 C ATOM 740 NZ LYS A 52 3.778 4.486 6.824 1.00 2.55 N ATOM 0 H LYS A 52 8.377 7.235 9.393 1.00 60.22 H new ATOM 0 HA LYS A 52 7.281 9.939 9.823 1.00 72.12 H new ATOM 0 HB2 LYS A 52 5.131 8.682 9.131 1.00 32.11 H new ATOM 0 HB3 LYS A 52 6.322 9.016 7.890 1.00 32.11 H new ATOM 0 HG2 LYS A 52 7.048 6.769 7.797 1.00 71.15 H new ATOM 0 HG3 LYS A 52 6.366 6.380 9.364 1.00 71.15 H new ATOM 0 HD2 LYS A 52 4.110 6.465 8.510 1.00 2.30 H new ATOM 0 HD3 LYS A 52 4.632 7.197 7.006 1.00 2.30 H new ATOM 0 HE2 LYS A 52 5.702 5.179 6.270 1.00 72.41 H new ATOM 0 HE3 LYS A 52 5.623 4.461 7.866 1.00 72.41 H new ATOM 0 HZ1 LYS A 52 3.927 3.503 6.520 1.00 2.55 H new ATOM 0 HZ2 LYS A 52 3.158 4.500 7.659 1.00 2.55 H new ATOM 0 HZ3 LYS A 52 3.332 5.023 6.053 1.00 2.55 H new ATOM 754 N GLY A 53 7.191 7.480 11.865 1.00 23.43 N ATOM 755 CA GLY A 53 6.757 7.056 13.184 1.00 45.41 C ATOM 756 C GLY A 53 5.833 5.856 13.133 1.00 63.14 C ATOM 757 O GLY A 53 5.340 5.398 14.163 1.00 15.24 O ATOM 0 H GLY A 53 7.961 6.938 11.473 1.00 23.43 H new ATOM 0 HA2 GLY A 53 7.630 6.813 13.789 1.00 45.41 H new ATOM 0 HA3 GLY A 53 6.247 7.883 13.678 1.00 45.41 H new ATOM 761 N LYS A 54 5.597 5.345 11.929 1.00 34.54 N ATOM 762 CA LYS A 54 4.725 4.190 11.746 1.00 1.01 C ATOM 763 C LYS A 54 5.433 2.903 12.158 1.00 50.13 C ATOM 764 O LYS A 54 4.789 1.892 12.442 1.00 3.25 O ATOM 765 CB LYS A 54 4.274 4.092 10.287 1.00 11.21 C ATOM 766 CG LYS A 54 3.124 3.124 10.069 1.00 24.55 C ATOM 767 CD LYS A 54 1.792 3.743 10.456 1.00 40.53 C ATOM 768 CE LYS A 54 0.652 2.745 10.319 1.00 4.34 C ATOM 769 NZ LYS A 54 0.566 1.839 11.497 1.00 35.45 N ATOM 0 H LYS A 54 5.997 5.712 11.066 1.00 34.54 H new ATOM 0 HA LYS A 54 3.850 4.322 12.382 1.00 1.01 H new ATOM 0 HB2 LYS A 54 3.975 5.081 9.941 1.00 11.21 H new ATOM 0 HB3 LYS A 54 5.120 3.782 9.674 1.00 11.21 H new ATOM 0 HG2 LYS A 54 3.095 2.822 9.022 1.00 24.55 H new ATOM 0 HG3 LYS A 54 3.291 2.221 10.657 1.00 24.55 H new ATOM 0 HD2 LYS A 54 1.841 4.102 11.484 1.00 40.53 H new ATOM 0 HD3 LYS A 54 1.596 4.610 9.825 1.00 40.53 H new ATOM 0 HE2 LYS A 54 -0.289 3.282 10.204 1.00 4.34 H new ATOM 0 HE3 LYS A 54 0.794 2.153 9.415 1.00 4.34 H new ATOM 0 HZ1 LYS A 54 -0.223 1.174 11.366 1.00 35.45 H new ATOM 0 HZ2 LYS A 54 1.455 1.308 11.592 1.00 35.45 H new ATOM 0 HZ3 LYS A 54 0.405 2.402 12.357 1.00 35.45 H new ATOM 783 N LEU A 55 6.760 2.947 12.189 1.00 43.45 N ATOM 784 CA LEU A 55 7.556 1.785 12.567 1.00 20.13 C ATOM 785 C LEU A 55 8.392 2.078 13.809 1.00 12.21 C ATOM 786 O LEU A 55 8.709 3.232 14.096 1.00 23.01 O ATOM 787 CB LEU A 55 8.468 1.368 11.412 1.00 74.21 C ATOM 788 CG LEU A 55 7.973 0.203 10.554 1.00 63.50 C ATOM 789 CD1 LEU A 55 8.042 -1.101 11.334 1.00 72.21 C ATOM 790 CD2 LEU A 55 6.555 0.462 10.069 1.00 74.15 C ATOM 0 H LEU A 55 7.308 3.775 11.957 1.00 43.45 H new ATOM 0 HA LEU A 55 6.873 0.967 12.796 1.00 20.13 H new ATOM 0 HB2 LEU A 55 8.619 2.232 10.764 1.00 74.21 H new ATOM 0 HB3 LEU A 55 9.442 1.103 11.822 1.00 74.21 H new ATOM 0 HG LEU A 55 8.623 0.117 9.683 1.00 63.50 H new ATOM 0 HD11 LEU A 55 7.686 -1.919 10.708 1.00 72.21 H new ATOM 0 HD12 LEU A 55 9.073 -1.293 11.631 1.00 72.21 H new ATOM 0 HD13 LEU A 55 7.417 -1.026 12.224 1.00 72.21 H new ATOM 0 HD21 LEU A 55 6.220 -0.378 9.460 1.00 74.15 H new ATOM 0 HD22 LEU A 55 5.892 0.576 10.927 1.00 74.15 H new ATOM 0 HD23 LEU A 55 6.535 1.374 9.472 1.00 74.15 H new ATOM 802 N GLN A 56 8.746 1.026 14.540 1.00 51.02 N ATOM 803 CA GLN A 56 9.546 1.172 15.750 1.00 64.51 C ATOM 804 C GLN A 56 10.629 0.100 15.818 1.00 24.12 C ATOM 805 O GLN A 56 10.456 -1.007 15.307 1.00 44.31 O ATOM 806 CB GLN A 56 8.654 1.091 16.990 1.00 41.43 C ATOM 807 CG GLN A 56 8.058 2.429 17.398 1.00 43.00 C ATOM 808 CD GLN A 56 7.372 2.374 18.749 1.00 41.43 C ATOM 809 OE1 GLN A 56 6.783 1.358 19.118 1.00 24.01 O ATOM 810 NE2 GLN A 56 7.445 3.471 19.495 1.00 74.44 N ATOM 0 H GLN A 56 8.492 0.064 14.316 1.00 51.02 H new ATOM 0 HA GLN A 56 10.028 2.149 15.721 1.00 64.51 H new ATOM 0 HB2 GLN A 56 7.845 0.385 16.800 1.00 41.43 H new ATOM 0 HB3 GLN A 56 9.236 0.693 17.821 1.00 41.43 H new ATOM 0 HG2 GLN A 56 8.847 3.181 17.426 1.00 43.00 H new ATOM 0 HG3 GLN A 56 7.340 2.748 16.643 1.00 43.00 H new ATOM 0 HE21 GLN A 56 7.944 4.291 19.149 1.00 74.44 H new ATOM 0 HE22 GLN A 56 7.002 3.493 20.414 1.00 74.44 H new ATOM 819 N LYS A 57 11.747 0.435 16.453 1.00 45.41 N ATOM 820 CA LYS A 57 12.860 -0.497 16.590 1.00 73.53 C ATOM 821 C LYS A 57 13.189 -0.739 18.059 1.00 23.52 C ATOM 822 O LYS A 57 13.145 0.182 18.874 1.00 73.42 O ATOM 823 CB LYS A 57 14.094 0.038 15.861 1.00 41.13 C ATOM 824 CG LYS A 57 14.570 1.384 16.379 1.00 24.11 C ATOM 825 CD LYS A 57 15.701 1.227 17.382 1.00 32.23 C ATOM 826 CE LYS A 57 16.810 2.237 17.134 1.00 4.15 C ATOM 827 NZ LYS A 57 16.322 3.639 17.258 1.00 24.54 N ATOM 0 H LYS A 57 11.906 1.347 16.882 1.00 45.41 H new ATOM 0 HA LYS A 57 12.564 -1.445 16.141 1.00 73.53 H new ATOM 0 HB2 LYS A 57 14.904 -0.685 15.956 1.00 41.13 H new ATOM 0 HB3 LYS A 57 13.868 0.126 14.798 1.00 41.13 H new ATOM 0 HG2 LYS A 57 14.906 1.998 15.544 1.00 24.11 H new ATOM 0 HG3 LYS A 57 13.738 1.910 16.847 1.00 24.11 H new ATOM 0 HD2 LYS A 57 15.312 1.353 18.393 1.00 32.23 H new ATOM 0 HD3 LYS A 57 16.107 0.217 17.320 1.00 32.23 H new ATOM 0 HE2 LYS A 57 17.619 2.070 17.845 1.00 4.15 H new ATOM 0 HE3 LYS A 57 17.225 2.084 16.138 1.00 4.15 H new ATOM 0 HZ1 LYS A 57 17.121 4.296 17.149 1.00 24.54 H new ATOM 0 HZ2 LYS A 57 15.616 3.827 16.518 1.00 24.54 H new ATOM 0 HZ3 LYS A 57 15.888 3.774 18.193 1.00 24.54 H new ATOM 841 N GLU A 58 13.521 -1.984 18.390 1.00 41.34 N ATOM 842 CA GLU A 58 13.859 -2.345 19.761 1.00 12.24 C ATOM 843 C GLU A 58 15.280 -2.895 19.845 1.00 13.12 C ATOM 844 O GLU A 58 15.489 -4.107 19.822 1.00 25.33 O ATOM 845 CB GLU A 58 12.867 -3.379 20.299 1.00 43.21 C ATOM 846 CG GLU A 58 12.271 -3.008 21.647 1.00 45.25 C ATOM 847 CD GLU A 58 10.909 -2.354 21.522 1.00 71.11 C ATOM 848 OE1 GLU A 58 10.794 -1.361 20.773 1.00 62.32 O ATOM 849 OE2 GLU A 58 9.958 -2.834 22.173 1.00 30.51 O ATOM 0 H GLU A 58 13.563 -2.758 17.727 1.00 41.34 H new ATOM 0 HA GLU A 58 13.801 -1.444 20.372 1.00 12.24 H new ATOM 0 HB2 GLU A 58 12.060 -3.506 19.577 1.00 43.21 H new ATOM 0 HB3 GLU A 58 13.371 -4.342 20.387 1.00 43.21 H new ATOM 0 HG2 GLU A 58 12.185 -3.904 22.261 1.00 45.25 H new ATOM 0 HG3 GLU A 58 12.949 -2.330 22.166 1.00 45.25 H new ATOM 856 N ALA A 59 16.252 -1.994 19.942 1.00 71.04 N ATOM 857 CA ALA A 59 17.652 -2.388 20.030 1.00 25.12 C ATOM 858 C ALA A 59 18.134 -2.382 21.477 1.00 42.40 C ATOM 859 O ALA A 59 18.865 -1.484 21.894 1.00 31.22 O ATOM 860 CB ALA A 59 18.515 -1.466 19.181 1.00 72.33 C ATOM 0 H ALA A 59 16.095 -0.986 19.962 1.00 71.04 H new ATOM 0 HA ALA A 59 17.742 -3.405 19.648 1.00 25.12 H new ATOM 0 HB1 ALA A 59 19.558 -1.772 19.257 1.00 72.33 H new ATOM 0 HB2 ALA A 59 18.194 -1.523 18.141 1.00 72.33 H new ATOM 0 HB3 ALA A 59 18.411 -0.441 19.537 1.00 72.33 H new ATOM 866 N GLY A 60 17.719 -3.389 22.239 1.00 72.21 N ATOM 867 CA GLY A 60 18.117 -3.480 23.631 1.00 4.53 C ATOM 868 C GLY A 60 18.015 -4.891 24.173 1.00 33.44 C ATOM 869 O GLY A 60 18.437 -5.848 23.522 1.00 54.41 O ATOM 0 H GLY A 60 17.114 -4.144 21.917 1.00 72.21 H new ATOM 0 HA2 GLY A 60 19.143 -3.127 23.736 1.00 4.53 H new ATOM 0 HA3 GLY A 60 17.490 -2.819 24.229 1.00 4.53 H new ATOM 873 N THR A 61 17.454 -5.025 25.371 1.00 14.43 N ATOM 874 CA THR A 61 17.299 -6.329 26.002 1.00 25.23 C ATOM 875 C THR A 61 16.540 -7.292 25.097 1.00 52.34 C ATOM 876 O THR A 61 17.068 -8.311 24.652 1.00 34.54 O ATOM 877 CB THR A 61 16.560 -6.218 27.349 1.00 3.01 C ATOM 878 OG1 THR A 61 16.102 -4.876 27.547 1.00 53.01 O ATOM 879 CG2 THR A 61 17.469 -6.624 28.500 1.00 55.30 C ATOM 0 H THR A 61 17.099 -4.245 25.924 1.00 14.43 H new ATOM 0 HA THR A 61 18.303 -6.715 26.178 1.00 25.23 H new ATOM 0 HB THR A 61 15.705 -6.894 27.326 1.00 3.01 H new ATOM 0 HG1 THR A 61 15.632 -4.814 28.405 1.00 53.01 H new ATOM 0 HG21 THR A 61 16.925 -6.538 29.441 1.00 55.30 H new ATOM 0 HG22 THR A 61 17.793 -7.656 28.361 1.00 55.30 H new ATOM 0 HG23 THR A 61 18.341 -5.970 28.523 1.00 55.30 H new ATOM 887 N PRO A 62 15.271 -6.963 24.814 1.00 14.50 N ATOM 888 CA PRO A 62 14.412 -7.785 23.957 1.00 35.11 C ATOM 889 C PRO A 62 14.848 -7.753 22.496 1.00 2.45 C ATOM 890 O PRO A 62 14.713 -6.743 21.805 1.00 1.44 O ATOM 891 CB PRO A 62 13.031 -7.142 24.117 1.00 25.40 C ATOM 892 CG PRO A 62 13.313 -5.729 24.494 1.00 2.02 C ATOM 893 CD PRO A 62 14.577 -5.762 25.309 1.00 54.21 C ATOM 0 HA PRO A 62 14.443 -8.837 24.239 1.00 35.11 H new ATOM 0 HB2 PRO A 62 12.458 -7.198 23.191 1.00 25.40 H new ATOM 0 HB3 PRO A 62 12.445 -7.647 24.885 1.00 25.40 H new ATOM 0 HG2 PRO A 62 13.436 -5.106 23.608 1.00 2.02 H new ATOM 0 HG3 PRO A 62 12.489 -5.307 25.069 1.00 2.02 H new ATOM 0 HD2 PRO A 62 15.175 -4.863 25.160 1.00 54.21 H new ATOM 0 HD3 PRO A 62 14.365 -5.831 26.376 1.00 54.21 H new ATOM 901 N PRO A 63 15.384 -8.883 22.013 1.00 23.00 N ATOM 902 CA PRO A 63 15.851 -9.009 20.629 1.00 32.21 C ATOM 903 C PRO A 63 14.701 -9.010 19.628 1.00 71.44 C ATOM 904 O PRO A 63 14.199 -10.068 19.244 1.00 21.02 O ATOM 905 CB PRO A 63 16.570 -10.360 20.619 1.00 62.31 C ATOM 906 CG PRO A 63 15.940 -11.133 21.725 1.00 33.43 C ATOM 907 CD PRO A 63 15.576 -10.125 22.780 1.00 31.31 C ATOM 0 HA PRO A 63 16.484 -8.172 20.334 1.00 32.21 H new ATOM 0 HB2 PRO A 63 16.447 -10.867 19.662 1.00 62.31 H new ATOM 0 HB3 PRO A 63 17.641 -10.239 20.780 1.00 62.31 H new ATOM 0 HG2 PRO A 63 15.057 -11.667 21.374 1.00 33.43 H new ATOM 0 HG3 PRO A 63 16.628 -11.880 22.120 1.00 33.43 H new ATOM 0 HD2 PRO A 63 14.670 -10.412 23.314 1.00 31.31 H new ATOM 0 HD3 PRO A 63 16.365 -10.020 23.524 1.00 31.31 H new ATOM 915 N LEU A 64 14.288 -7.820 19.207 1.00 72.12 N ATOM 916 CA LEU A 64 13.196 -7.684 18.248 1.00 4.24 C ATOM 917 C LEU A 64 12.916 -6.215 17.948 1.00 13.11 C ATOM 918 O LEU A 64 13.655 -5.331 18.380 1.00 45.32 O ATOM 919 CB LEU A 64 11.932 -8.357 18.786 1.00 3.21 C ATOM 920 CG LEU A 64 11.523 -7.977 20.209 1.00 1.45 C ATOM 921 CD1 LEU A 64 10.573 -6.789 20.193 1.00 73.54 C ATOM 922 CD2 LEU A 64 10.884 -9.164 20.916 1.00 43.52 C ATOM 0 H LEU A 64 14.692 -6.935 19.514 1.00 72.12 H new ATOM 0 HA LEU A 64 13.495 -8.175 17.322 1.00 4.24 H new ATOM 0 HB2 LEU A 64 11.105 -8.120 18.116 1.00 3.21 H new ATOM 0 HB3 LEU A 64 12.075 -9.437 18.747 1.00 3.21 H new ATOM 0 HG LEU A 64 12.419 -7.691 20.759 1.00 1.45 H new ATOM 0 HD11 LEU A 64 10.293 -6.533 21.215 1.00 73.54 H new ATOM 0 HD12 LEU A 64 11.066 -5.935 19.727 1.00 73.54 H new ATOM 0 HD13 LEU A 64 9.679 -7.046 19.625 1.00 73.54 H new ATOM 0 HD21 LEU A 64 10.599 -8.875 21.928 1.00 43.52 H new ATOM 0 HD22 LEU A 64 9.998 -9.481 20.366 1.00 43.52 H new ATOM 0 HD23 LEU A 64 11.597 -9.987 20.961 1.00 43.52 H new ATOM 934 N TRP A 65 11.842 -5.963 17.208 1.00 43.30 N ATOM 935 CA TRP A 65 11.463 -4.600 16.852 1.00 74.21 C ATOM 936 C TRP A 65 10.079 -4.261 17.396 1.00 5.32 C ATOM 937 O TRP A 65 9.490 -5.036 18.149 1.00 33.10 O ATOM 938 CB TRP A 65 11.484 -4.423 15.333 1.00 61.32 C ATOM 939 CG TRP A 65 12.680 -5.047 14.679 1.00 74.41 C ATOM 940 CD1 TRP A 65 12.707 -6.205 13.955 1.00 53.03 C ATOM 941 CD2 TRP A 65 14.021 -4.548 14.692 1.00 64.33 C ATOM 942 NE1 TRP A 65 13.985 -6.456 13.516 1.00 13.55 N ATOM 943 CE2 TRP A 65 14.810 -5.454 13.955 1.00 53.45 C ATOM 944 CE3 TRP A 65 14.633 -3.424 15.252 1.00 25.02 C ATOM 945 CZ2 TRP A 65 16.177 -5.268 13.766 1.00 14.12 C ATOM 946 CZ3 TRP A 65 15.990 -3.241 15.065 1.00 63.34 C ATOM 947 CH2 TRP A 65 16.750 -4.159 14.326 1.00 13.42 C ATOM 0 H TRP A 65 11.219 -6.683 16.843 1.00 43.30 H new ATOM 0 HA TRP A 65 12.187 -3.919 17.300 1.00 74.21 H new ATOM 0 HB2 TRP A 65 10.579 -4.860 14.911 1.00 61.32 H new ATOM 0 HB3 TRP A 65 11.464 -3.359 15.098 1.00 61.32 H new ATOM 0 HD1 TRP A 65 11.850 -6.831 13.757 1.00 53.03 H new ATOM 0 HE1 TRP A 65 14.272 -7.258 12.955 1.00 13.55 H new ATOM 0 HE3 TRP A 65 14.056 -2.710 15.821 1.00 25.02 H new ATOM 0 HZ2 TRP A 65 16.764 -5.974 13.198 1.00 14.12 H new ATOM 0 HZ3 TRP A 65 16.473 -2.376 15.495 1.00 63.34 H new ATOM 0 HH2 TRP A 65 17.808 -3.987 14.196 1.00 13.42 H new ATOM 958 N LYS A 66 9.566 -3.097 17.011 1.00 70.31 N ATOM 959 CA LYS A 66 8.251 -2.655 17.459 1.00 73.11 C ATOM 960 C LYS A 66 7.468 -2.025 16.311 1.00 64.11 C ATOM 961 O LYS A 66 8.018 -1.773 15.238 1.00 33.01 O ATOM 962 CB LYS A 66 8.391 -1.652 18.606 1.00 54.21 C ATOM 963 CG LYS A 66 8.158 -2.260 19.978 1.00 21.30 C ATOM 964 CD LYS A 66 6.702 -2.646 20.178 1.00 50.05 C ATOM 965 CE LYS A 66 5.997 -1.689 21.127 1.00 21.40 C ATOM 966 NZ LYS A 66 5.238 -0.639 20.394 1.00 45.53 N ATOM 0 H LYS A 66 10.041 -2.443 16.389 1.00 70.31 H new ATOM 0 HA LYS A 66 7.703 -3.528 17.813 1.00 73.11 H new ATOM 0 HB2 LYS A 66 9.389 -1.216 18.576 1.00 54.21 H new ATOM 0 HB3 LYS A 66 7.683 -0.838 18.454 1.00 54.21 H new ATOM 0 HG2 LYS A 66 8.789 -3.141 20.098 1.00 21.30 H new ATOM 0 HG3 LYS A 66 8.455 -1.548 20.748 1.00 21.30 H new ATOM 0 HD2 LYS A 66 6.190 -2.649 19.216 1.00 50.05 H new ATOM 0 HD3 LYS A 66 6.644 -3.660 20.573 1.00 50.05 H new ATOM 0 HE2 LYS A 66 5.316 -2.249 21.767 1.00 21.40 H new ATOM 0 HE3 LYS A 66 6.732 -1.217 21.779 1.00 21.40 H new ATOM 0 HZ1 LYS A 66 4.772 -0.007 21.076 1.00 45.53 H new ATOM 0 HZ2 LYS A 66 5.892 -0.088 19.802 1.00 45.53 H new ATOM 0 HZ3 LYS A 66 4.519 -1.087 19.791 1.00 45.53 H new ATOM 980 N ILE A 67 6.185 -1.772 16.544 1.00 20.42 N ATOM 981 CA ILE A 67 5.329 -1.169 15.530 1.00 21.41 C ATOM 982 C ILE A 67 4.779 0.172 16.002 1.00 43.41 C ATOM 983 O ILE A 67 4.923 0.538 17.168 1.00 42.31 O ATOM 984 CB ILE A 67 4.153 -2.094 15.164 1.00 14.44 C ATOM 985 CG1 ILE A 67 3.000 -1.904 16.153 1.00 25.32 C ATOM 986 CG2 ILE A 67 4.606 -3.546 15.143 1.00 5.51 C ATOM 987 CD1 ILE A 67 3.394 -2.146 17.593 1.00 24.44 C ATOM 0 H ILE A 67 5.715 -1.975 17.426 1.00 20.42 H new ATOM 0 HA ILE A 67 5.947 -1.014 14.646 1.00 21.41 H new ATOM 0 HB ILE A 67 3.800 -1.831 14.167 1.00 14.44 H new ATOM 0 HG12 ILE A 67 2.612 -0.890 16.056 1.00 25.32 H new ATOM 0 HG13 ILE A 67 2.189 -2.582 15.888 1.00 25.32 H new ATOM 0 HG21 ILE A 67 3.763 -4.186 14.883 1.00 5.51 H new ATOM 0 HG22 ILE A 67 5.397 -3.670 14.404 1.00 5.51 H new ATOM 0 HG23 ILE A 67 4.982 -3.824 16.127 1.00 5.51 H new ATOM 0 HD11 ILE A 67 2.528 -1.994 18.238 1.00 24.44 H new ATOM 0 HD12 ILE A 67 3.754 -3.169 17.705 1.00 24.44 H new ATOM 0 HD13 ILE A 67 4.184 -1.450 17.876 1.00 24.44 H new ATOM 999 N ALA A 68 4.147 0.901 15.088 1.00 41.03 N ATOM 1000 CA ALA A 68 3.572 2.201 15.411 1.00 73.31 C ATOM 1001 C ALA A 68 2.821 2.781 14.217 1.00 31.21 C ATOM 1002 O ALA A 68 1.782 3.423 14.378 1.00 44.35 O ATOM 1003 CB ALA A 68 4.660 3.160 15.869 1.00 12.24 C ATOM 0 H ALA A 68 4.020 0.613 14.118 1.00 41.03 H new ATOM 0 HA ALA A 68 2.859 2.063 16.224 1.00 73.31 H new ATOM 0 HB1 ALA A 68 4.216 4.127 16.107 1.00 12.24 H new ATOM 0 HB2 ALA A 68 5.150 2.758 16.756 1.00 12.24 H new ATOM 0 HB3 ALA A 68 5.394 3.284 15.073 1.00 12.24 H new TER 1009 ALA A 68