USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=11 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 Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 11 GLN : amide:sc= -0.372 X(o=-0.37,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -159:sc= -0.0417 (180deg=-0.362) USER MOD Single : A 24 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0228) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.021 USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.52 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 32 SER OG : rot -78:sc= 0.151 USER MOD Single : A 34 LYS NZ :NH3+ -163:sc= -0.0116 (180deg=-0.172) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0222 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -158:sc= -0.0874 (180deg=-0.563) USER MOD Single : A 56 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.15) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 6 2.868 -1.822 -2.778 1.00 21.20 N ATOM 2 CA TYR A 6 2.933 -2.156 -4.196 1.00 5.41 C ATOM 3 C TYR A 6 1.816 -3.121 -4.581 1.00 2.43 C ATOM 4 O TYR A 6 1.035 -3.551 -3.733 1.00 72.22 O ATOM 5 CB TYR A 6 4.293 -2.770 -4.535 1.00 34.34 C ATOM 6 CG TYR A 6 5.459 -2.050 -3.896 1.00 52.05 C ATOM 7 CD1 TYR A 6 5.539 -0.663 -3.917 1.00 44.15 C ATOM 8 CD2 TYR A 6 6.480 -2.756 -3.274 1.00 25.04 C ATOM 9 CE1 TYR A 6 6.603 0.000 -3.336 1.00 64.34 C ATOM 10 CE2 TYR A 6 7.547 -2.102 -2.689 1.00 3.23 C ATOM 11 CZ TYR A 6 7.604 -0.724 -2.723 1.00 24.11 C ATOM 12 OH TYR A 6 8.666 -0.069 -2.143 1.00 3.23 O ATOM 0 HA TYR A 6 2.805 -1.236 -4.766 1.00 5.41 H new ATOM 0 HB2 TYR A 6 4.301 -3.812 -4.216 1.00 34.34 H new ATOM 0 HB3 TYR A 6 4.424 -2.767 -5.617 1.00 34.34 H new ATOM 0 HD1 TYR A 6 4.756 -0.093 -4.396 1.00 44.15 H new ATOM 0 HD2 TYR A 6 6.439 -3.835 -3.247 1.00 25.04 H new ATOM 0 HE1 TYR A 6 6.650 1.079 -3.362 1.00 64.34 H new ATOM 0 HE2 TYR A 6 8.332 -2.666 -2.208 1.00 3.23 H new ATOM 0 HH TYR A 6 9.282 -0.725 -1.754 1.00 3.23 H new ATOM 22 N GLN A 7 1.749 -3.456 -5.865 1.00 51.52 N ATOM 23 CA GLN A 7 0.728 -4.370 -6.363 1.00 52.53 C ATOM 24 C GLN A 7 0.585 -5.578 -5.445 1.00 35.53 C ATOM 25 O GLN A 7 1.266 -5.679 -4.424 1.00 70.33 O ATOM 26 CB GLN A 7 1.072 -4.829 -7.781 1.00 25.21 C ATOM 27 CG GLN A 7 0.816 -3.772 -8.843 1.00 34.14 C ATOM 28 CD GLN A 7 -0.632 -3.735 -9.291 1.00 71.00 C ATOM 29 OE1 GLN A 7 -1.519 -4.248 -8.608 1.00 0.43 O ATOM 30 NE2 GLN A 7 -0.879 -3.126 -10.445 1.00 73.30 N ATOM 0 H GLN A 7 2.389 -3.109 -6.579 1.00 51.52 H new ATOM 0 HA GLN A 7 -0.223 -3.837 -6.382 1.00 52.53 H new ATOM 0 HB2 GLN A 7 2.122 -5.119 -7.815 1.00 25.21 H new ATOM 0 HB3 GLN A 7 0.488 -5.718 -8.018 1.00 25.21 H new ATOM 0 HG2 GLN A 7 1.097 -2.794 -8.452 1.00 34.14 H new ATOM 0 HG3 GLN A 7 1.454 -3.966 -9.705 1.00 34.14 H new ATOM 0 HE21 GLN A 7 -0.113 -2.714 -10.979 1.00 73.30 H new ATOM 0 HE22 GLN A 7 -1.834 -3.070 -10.798 1.00 73.30 H new ATOM 39 N ASP A 8 -0.306 -6.493 -5.813 1.00 42.12 N ATOM 40 CA ASP A 8 -0.538 -7.696 -5.023 1.00 31.14 C ATOM 41 C ASP A 8 0.746 -8.153 -4.338 1.00 3.11 C ATOM 42 O ASP A 8 0.722 -8.611 -3.196 1.00 3.21 O ATOM 43 CB ASP A 8 -1.085 -8.817 -5.908 1.00 41.45 C ATOM 44 CG ASP A 8 -2.492 -9.227 -5.521 1.00 1.13 C ATOM 45 OD1 ASP A 8 -3.403 -8.377 -5.609 1.00 24.34 O ATOM 46 OD2 ASP A 8 -2.682 -10.397 -5.129 1.00 31.45 O ATOM 0 H ASP A 8 -0.879 -6.424 -6.654 1.00 42.12 H new ATOM 0 HA ASP A 8 -1.274 -7.459 -4.255 1.00 31.14 H new ATOM 0 HB2 ASP A 8 -1.078 -8.491 -6.948 1.00 41.45 H new ATOM 0 HB3 ASP A 8 -0.426 -9.683 -5.841 1.00 41.45 H new ATOM 51 N GLN A 9 1.865 -8.026 -5.044 1.00 51.24 N ATOM 52 CA GLN A 9 3.158 -8.428 -4.505 1.00 5.43 C ATOM 53 C GLN A 9 3.319 -7.952 -3.064 1.00 74.43 C ATOM 54 O GLN A 9 3.702 -8.724 -2.186 1.00 32.12 O ATOM 55 CB GLN A 9 4.291 -7.868 -5.368 1.00 32.24 C ATOM 56 CG GLN A 9 4.448 -8.581 -6.701 1.00 44.22 C ATOM 57 CD GLN A 9 5.571 -8.005 -7.542 1.00 12.23 C ATOM 58 OE1 GLN A 9 6.029 -6.887 -7.304 1.00 0.20 O ATOM 59 NE2 GLN A 9 6.021 -8.767 -8.532 1.00 13.04 N ATOM 0 H GLN A 9 1.902 -7.648 -5.991 1.00 51.24 H new ATOM 0 HA GLN A 9 3.205 -9.517 -4.517 1.00 5.43 H new ATOM 0 HB2 GLN A 9 4.108 -6.809 -5.551 1.00 32.24 H new ATOM 0 HB3 GLN A 9 5.227 -7.939 -4.815 1.00 32.24 H new ATOM 0 HG2 GLN A 9 4.639 -9.639 -6.523 1.00 44.22 H new ATOM 0 HG3 GLN A 9 3.512 -8.515 -7.256 1.00 44.22 H new ATOM 0 HE21 GLN A 9 5.612 -9.687 -8.693 1.00 13.04 H new ATOM 0 HE22 GLN A 9 6.776 -8.432 -9.131 1.00 13.04 H new ATOM 68 N GLU A 10 3.023 -6.678 -2.830 1.00 41.45 N ATOM 69 CA GLU A 10 3.136 -6.100 -1.496 1.00 70.32 C ATOM 70 C GLU A 10 1.979 -6.551 -0.609 1.00 3.03 C ATOM 71 O GLU A 10 2.158 -6.793 0.585 1.00 53.14 O ATOM 72 CB GLU A 10 3.165 -4.573 -1.578 1.00 42.41 C ATOM 73 CG GLU A 10 3.526 -3.900 -0.265 1.00 2.54 C ATOM 74 CD GLU A 10 5.014 -3.637 -0.133 1.00 52.43 C ATOM 75 OE1 GLU A 10 5.805 -4.405 -0.719 1.00 23.01 O ATOM 76 OE2 GLU A 10 5.386 -2.663 0.555 1.00 65.45 O ATOM 0 H GLU A 10 2.703 -6.026 -3.546 1.00 41.45 H new ATOM 0 HA GLU A 10 4.069 -6.450 -1.054 1.00 70.32 H new ATOM 0 HB2 GLU A 10 3.884 -4.272 -2.340 1.00 42.41 H new ATOM 0 HB3 GLU A 10 2.188 -4.216 -1.903 1.00 42.41 H new ATOM 0 HG2 GLU A 10 2.986 -2.957 -0.184 1.00 2.54 H new ATOM 0 HG3 GLU A 10 3.197 -4.528 0.563 1.00 2.54 H new ATOM 83 N GLN A 11 0.795 -6.660 -1.201 1.00 75.41 N ATOM 84 CA GLN A 11 -0.392 -7.080 -0.464 1.00 65.52 C ATOM 85 C GLN A 11 -0.208 -8.481 0.110 1.00 62.41 C ATOM 86 O GLN A 11 -0.741 -8.802 1.172 1.00 21.13 O ATOM 87 CB GLN A 11 -1.621 -7.046 -1.373 1.00 73.23 C ATOM 88 CG GLN A 11 -1.740 -5.768 -2.188 1.00 71.41 C ATOM 89 CD GLN A 11 -3.093 -5.627 -2.858 1.00 65.34 C ATOM 90 OE1 GLN A 11 -4.126 -5.570 -2.191 1.00 60.34 O ATOM 91 NE2 GLN A 11 -3.093 -5.570 -4.185 1.00 41.11 N ATOM 0 H GLN A 11 0.631 -6.464 -2.188 1.00 75.41 H new ATOM 0 HA GLN A 11 -0.541 -6.385 0.362 1.00 65.52 H new ATOM 0 HB2 GLN A 11 -1.584 -7.898 -2.052 1.00 73.23 H new ATOM 0 HB3 GLN A 11 -2.517 -7.163 -0.763 1.00 73.23 H new ATOM 0 HG2 GLN A 11 -1.570 -4.910 -1.538 1.00 71.41 H new ATOM 0 HG3 GLN A 11 -0.959 -5.752 -2.948 1.00 71.41 H new ATOM 0 HE21 GLN A 11 -2.213 -5.621 -4.698 1.00 41.11 H new ATOM 0 HE22 GLN A 11 -3.973 -5.475 -4.691 1.00 41.11 H new ATOM 100 N ARG A 12 0.549 -9.312 -0.600 1.00 1.23 N ATOM 101 CA ARG A 12 0.802 -10.679 -0.161 1.00 74.12 C ATOM 102 C ARG A 12 1.777 -10.702 1.012 1.00 61.50 C ATOM 103 O ARG A 12 1.448 -11.186 2.096 1.00 63.35 O ATOM 104 CB ARG A 12 1.357 -11.514 -1.317 1.00 0.42 C ATOM 105 CG ARG A 12 1.697 -12.943 -0.927 1.00 45.24 C ATOM 106 CD ARG A 12 1.691 -13.866 -2.136 1.00 22.03 C ATOM 107 NE ARG A 12 2.127 -15.217 -1.794 1.00 64.43 N ATOM 108 CZ ARG A 12 3.402 -15.566 -1.657 1.00 51.44 C ATOM 109 NH1 ARG A 12 4.361 -14.666 -1.831 1.00 73.55 N ATOM 110 NH2 ARG A 12 3.720 -16.816 -1.345 1.00 54.52 N ATOM 0 H ARG A 12 0.997 -9.062 -1.481 1.00 1.23 H new ATOM 0 HA ARG A 12 -0.144 -11.109 0.167 1.00 74.12 H new ATOM 0 HB2 ARG A 12 0.626 -11.531 -2.125 1.00 0.42 H new ATOM 0 HB3 ARG A 12 2.252 -11.030 -1.707 1.00 0.42 H new ATOM 0 HG2 ARG A 12 2.678 -12.968 -0.453 1.00 45.24 H new ATOM 0 HG3 ARG A 12 0.978 -13.301 -0.190 1.00 45.24 H new ATOM 0 HD2 ARG A 12 0.687 -13.905 -2.558 1.00 22.03 H new ATOM 0 HD3 ARG A 12 2.345 -13.458 -2.907 1.00 22.03 H new ATOM 0 HE ARG A 12 1.414 -15.932 -1.652 1.00 64.43 H new ATOM 0 HH11 ARG A 12 4.120 -13.704 -2.070 1.00 73.55 H new ATOM 0 HH12 ARG A 12 5.339 -14.936 -1.725 1.00 73.55 H new ATOM 0 HH21 ARG A 12 2.985 -17.511 -1.210 1.00 54.52 H new ATOM 0 HH22 ARG A 12 4.699 -17.082 -1.240 1.00 54.52 H new ATOM 124 N ILE A 13 2.977 -10.178 0.788 1.00 51.45 N ATOM 125 CA ILE A 13 3.999 -10.138 1.826 1.00 41.12 C ATOM 126 C ILE A 13 3.481 -9.446 3.082 1.00 54.43 C ATOM 127 O ILE A 13 3.837 -9.817 4.201 1.00 74.22 O ATOM 128 CB ILE A 13 5.267 -9.412 1.340 1.00 65.14 C ATOM 129 CG1 ILE A 13 4.914 -8.020 0.812 1.00 3.24 C ATOM 130 CG2 ILE A 13 5.966 -10.230 0.264 1.00 24.11 C ATOM 131 CD1 ILE A 13 6.110 -7.245 0.305 1.00 0.41 C ATOM 0 H ILE A 13 3.265 -9.775 -0.104 1.00 51.45 H new ATOM 0 HA ILE A 13 4.250 -11.172 2.061 1.00 41.12 H new ATOM 0 HB ILE A 13 5.948 -9.298 2.183 1.00 65.14 H new ATOM 0 HG12 ILE A 13 4.187 -8.120 0.006 1.00 3.24 H new ATOM 0 HG13 ILE A 13 4.432 -7.450 1.607 1.00 3.24 H new ATOM 0 HG21 ILE A 13 6.860 -9.704 -0.070 1.00 24.11 H new ATOM 0 HG22 ILE A 13 6.247 -11.202 0.671 1.00 24.11 H new ATOM 0 HG23 ILE A 13 5.292 -10.371 -0.581 1.00 24.11 H new ATOM 0 HD11 ILE A 13 5.785 -6.268 -0.054 1.00 0.41 H new ATOM 0 HD12 ILE A 13 6.828 -7.114 1.114 1.00 0.41 H new ATOM 0 HD13 ILE A 13 6.580 -7.794 -0.511 1.00 0.41 H new ATOM 143 N LEU A 14 2.636 -8.438 2.889 1.00 23.22 N ATOM 144 CA LEU A 14 2.066 -7.694 4.007 1.00 51.13 C ATOM 145 C LEU A 14 1.162 -8.587 4.851 1.00 42.20 C ATOM 146 O LEU A 14 1.241 -8.584 6.080 1.00 62.44 O ATOM 147 CB LEU A 14 1.275 -6.489 3.492 1.00 24.54 C ATOM 148 CG LEU A 14 0.076 -6.063 4.339 1.00 11.32 C ATOM 149 CD1 LEU A 14 0.520 -5.695 5.746 1.00 13.15 C ATOM 150 CD2 LEU A 14 -0.651 -4.896 3.685 1.00 23.52 C ATOM 0 H LEU A 14 2.331 -8.118 1.970 1.00 23.22 H new ATOM 0 HA LEU A 14 2.886 -7.343 4.634 1.00 51.13 H new ATOM 0 HB2 LEU A 14 1.955 -5.641 3.409 1.00 24.54 H new ATOM 0 HB3 LEU A 14 0.922 -6.714 2.486 1.00 24.54 H new ATOM 0 HG LEU A 14 -0.614 -6.904 4.406 1.00 11.32 H new ATOM 0 HD11 LEU A 14 -0.347 -5.394 6.334 1.00 13.15 H new ATOM 0 HD12 LEU A 14 0.995 -6.557 6.215 1.00 13.15 H new ATOM 0 HD13 LEU A 14 1.230 -4.870 5.699 1.00 13.15 H new ATOM 0 HD21 LEU A 14 -1.502 -4.606 4.301 1.00 23.52 H new ATOM 0 HD22 LEU A 14 0.031 -4.051 3.587 1.00 23.52 H new ATOM 0 HD23 LEU A 14 -1.003 -5.194 2.698 1.00 23.52 H new ATOM 162 N LYS A 15 0.305 -9.352 4.184 1.00 54.52 N ATOM 163 CA LYS A 15 -0.612 -10.253 4.871 1.00 14.01 C ATOM 164 C LYS A 15 0.145 -11.403 5.528 1.00 51.41 C ATOM 165 O LYS A 15 -0.344 -12.021 6.474 1.00 4.41 O ATOM 166 CB LYS A 15 -1.648 -10.805 3.890 1.00 75.55 C ATOM 167 CG LYS A 15 -2.675 -11.718 4.538 1.00 23.22 C ATOM 168 CD LYS A 15 -3.799 -12.065 3.577 1.00 53.21 C ATOM 169 CE LYS A 15 -4.536 -13.322 4.012 1.00 74.33 C ATOM 170 NZ LYS A 15 -3.688 -14.538 3.872 1.00 34.53 N ATOM 0 H LYS A 15 0.226 -9.366 3.167 1.00 54.52 H new ATOM 0 HA LYS A 15 -1.123 -9.686 5.649 1.00 14.01 H new ATOM 0 HB2 LYS A 15 -2.165 -9.972 3.413 1.00 75.55 H new ATOM 0 HB3 LYS A 15 -1.133 -11.354 3.101 1.00 75.55 H new ATOM 0 HG2 LYS A 15 -2.188 -12.633 4.875 1.00 23.22 H new ATOM 0 HG3 LYS A 15 -3.088 -11.232 5.422 1.00 23.22 H new ATOM 0 HD2 LYS A 15 -4.500 -11.232 3.520 1.00 53.21 H new ATOM 0 HD3 LYS A 15 -3.392 -12.209 2.576 1.00 53.21 H new ATOM 0 HE2 LYS A 15 -4.852 -13.217 5.050 1.00 74.33 H new ATOM 0 HE3 LYS A 15 -5.440 -13.439 3.414 1.00 74.33 H new ATOM 0 HZ1 LYS A 15 -4.295 -15.381 3.828 1.00 34.53 H new ATOM 0 HZ2 LYS A 15 -3.125 -14.470 3.000 1.00 34.53 H new ATOM 0 HZ3 LYS A 15 -3.051 -14.613 4.690 1.00 34.53 H new ATOM 184 N PHE A 16 1.341 -11.684 5.021 1.00 53.50 N ATOM 185 CA PHE A 16 2.166 -12.759 5.559 1.00 12.21 C ATOM 186 C PHE A 16 2.629 -12.432 6.976 1.00 45.25 C ATOM 187 O PHE A 16 2.336 -13.163 7.922 1.00 74.51 O ATOM 188 CB PHE A 16 3.378 -13.001 4.657 1.00 54.12 C ATOM 189 CG PHE A 16 4.058 -14.317 4.907 1.00 53.55 C ATOM 190 CD1 PHE A 16 4.945 -14.464 5.961 1.00 40.45 C ATOM 191 CD2 PHE A 16 3.809 -15.406 4.088 1.00 63.32 C ATOM 192 CE1 PHE A 16 5.573 -15.673 6.192 1.00 53.00 C ATOM 193 CE2 PHE A 16 4.434 -16.618 4.315 1.00 72.44 C ATOM 194 CZ PHE A 16 5.316 -16.752 5.369 1.00 71.02 C ATOM 0 H PHE A 16 1.760 -11.182 4.238 1.00 53.50 H new ATOM 0 HA PHE A 16 1.561 -13.665 5.593 1.00 12.21 H new ATOM 0 HB2 PHE A 16 3.060 -12.957 3.615 1.00 54.12 H new ATOM 0 HB3 PHE A 16 4.097 -12.196 4.805 1.00 54.12 H new ATOM 0 HD1 PHE A 16 5.148 -13.624 6.609 1.00 40.45 H new ATOM 0 HD2 PHE A 16 3.119 -15.307 3.263 1.00 63.32 H new ATOM 0 HE1 PHE A 16 6.264 -15.774 7.016 1.00 53.00 H new ATOM 0 HE2 PHE A 16 4.233 -17.459 3.669 1.00 72.44 H new ATOM 0 HZ PHE A 16 5.804 -17.699 5.549 1.00 71.02 H new ATOM 204 N LEU A 17 3.356 -11.328 7.114 1.00 62.44 N ATOM 205 CA LEU A 17 3.862 -10.903 8.414 1.00 21.21 C ATOM 206 C LEU A 17 2.717 -10.669 9.394 1.00 73.21 C ATOM 207 O LEU A 17 2.830 -10.977 10.580 1.00 73.32 O ATOM 208 CB LEU A 17 4.692 -9.627 8.268 1.00 41.40 C ATOM 209 CG LEU A 17 3.917 -8.360 7.902 1.00 61.31 C ATOM 210 CD1 LEU A 17 3.882 -7.397 9.078 1.00 33.35 C ATOM 211 CD2 LEU A 17 4.533 -7.692 6.682 1.00 43.14 C ATOM 0 H LEU A 17 3.608 -10.711 6.341 1.00 62.44 H new ATOM 0 HA LEU A 17 4.496 -11.698 8.807 1.00 21.21 H new ATOM 0 HB2 LEU A 17 5.217 -9.449 9.207 1.00 41.40 H new ATOM 0 HB3 LEU A 17 5.452 -9.797 7.505 1.00 41.40 H new ATOM 0 HG LEU A 17 2.892 -8.642 7.659 1.00 61.31 H new ATOM 0 HD11 LEU A 17 3.327 -6.502 8.799 1.00 33.35 H new ATOM 0 HD12 LEU A 17 3.394 -7.877 9.927 1.00 33.35 H new ATOM 0 HD13 LEU A 17 4.900 -7.121 9.353 1.00 33.35 H new ATOM 0 HD21 LEU A 17 3.969 -6.792 6.436 1.00 43.14 H new ATOM 0 HD22 LEU A 17 5.567 -7.424 6.897 1.00 43.14 H new ATOM 0 HD23 LEU A 17 4.505 -8.380 5.837 1.00 43.14 H new ATOM 223 N GLU A 18 1.614 -10.125 8.889 1.00 43.54 N ATOM 224 CA GLU A 18 0.448 -9.851 9.720 1.00 30.10 C ATOM 225 C GLU A 18 -0.285 -11.143 10.070 1.00 12.25 C ATOM 226 O GLU A 18 -1.086 -11.180 11.004 1.00 5.23 O ATOM 227 CB GLU A 18 -0.503 -8.890 9.003 1.00 30.42 C ATOM 228 CG GLU A 18 -0.007 -7.455 8.971 1.00 51.55 C ATOM 229 CD GLU A 18 -1.128 -6.455 8.762 1.00 40.23 C ATOM 230 OE1 GLU A 18 -2.265 -6.889 8.484 1.00 75.32 O ATOM 231 OE2 GLU A 18 -0.868 -5.239 8.876 1.00 52.22 O ATOM 0 H GLU A 18 1.504 -9.866 7.909 1.00 43.54 H new ATOM 0 HA GLU A 18 0.793 -9.387 10.644 1.00 30.10 H new ATOM 0 HB2 GLU A 18 -0.654 -9.236 7.981 1.00 30.42 H new ATOM 0 HB3 GLU A 18 -1.475 -8.919 9.496 1.00 30.42 H new ATOM 0 HG2 GLU A 18 0.505 -7.231 9.907 1.00 51.55 H new ATOM 0 HG3 GLU A 18 0.726 -7.346 8.172 1.00 51.55 H new ATOM 238 N GLU A 19 -0.005 -12.199 9.314 1.00 74.34 N ATOM 239 CA GLU A 19 -0.639 -13.492 9.543 1.00 33.25 C ATOM 240 C GLU A 19 -0.254 -14.052 10.910 1.00 42.13 C ATOM 241 O GLU A 19 -0.923 -14.939 11.442 1.00 52.35 O ATOM 242 CB GLU A 19 -0.244 -14.481 8.445 1.00 73.31 C ATOM 243 CG GLU A 19 -1.407 -15.312 7.927 1.00 44.53 C ATOM 244 CD GLU A 19 -0.959 -16.434 7.010 1.00 11.33 C ATOM 245 OE1 GLU A 19 0.256 -16.531 6.740 1.00 21.13 O ATOM 246 OE2 GLU A 19 -1.825 -17.215 6.563 1.00 11.14 O ATOM 0 H GLU A 19 0.656 -12.185 8.538 1.00 74.34 H new ATOM 0 HA GLU A 19 -1.719 -13.347 9.519 1.00 33.25 H new ATOM 0 HB2 GLU A 19 0.197 -13.931 7.614 1.00 73.31 H new ATOM 0 HB3 GLU A 19 0.526 -15.149 8.830 1.00 73.31 H new ATOM 0 HG2 GLU A 19 -1.952 -15.734 8.772 1.00 44.53 H new ATOM 0 HG3 GLU A 19 -2.101 -14.665 7.391 1.00 44.53 H new ATOM 253 N LEU A 20 0.830 -13.529 11.472 1.00 12.44 N ATOM 254 CA LEU A 20 1.306 -13.975 12.777 1.00 63.42 C ATOM 255 C LEU A 20 0.653 -13.175 13.899 1.00 74.13 C ATOM 256 O LEU A 20 0.378 -13.705 14.975 1.00 42.14 O ATOM 257 CB LEU A 20 2.828 -13.842 12.859 1.00 11.31 C ATOM 258 CG LEU A 20 3.364 -12.437 13.140 1.00 60.44 C ATOM 259 CD1 LEU A 20 3.498 -12.206 14.637 1.00 62.33 C ATOM 260 CD2 LEU A 20 4.701 -12.228 12.444 1.00 61.22 C ATOM 0 H LEU A 20 1.396 -12.796 11.045 1.00 12.44 H new ATOM 0 HA LEU A 20 1.031 -15.023 12.897 1.00 63.42 H new ATOM 0 HB2 LEU A 20 3.190 -14.510 13.640 1.00 11.31 H new ATOM 0 HB3 LEU A 20 3.255 -14.191 11.919 1.00 11.31 H new ATOM 0 HG LEU A 20 2.653 -11.712 12.744 1.00 60.44 H new ATOM 0 HD11 LEU A 20 3.881 -11.201 14.817 1.00 62.33 H new ATOM 0 HD12 LEU A 20 2.522 -12.313 15.110 1.00 62.33 H new ATOM 0 HD13 LEU A 20 4.188 -12.938 15.058 1.00 62.33 H new ATOM 0 HD21 LEU A 20 5.068 -11.223 12.655 1.00 61.22 H new ATOM 0 HD22 LEU A 20 5.420 -12.961 12.810 1.00 61.22 H new ATOM 0 HD23 LEU A 20 4.574 -12.350 11.368 1.00 61.22 H new ATOM 272 N GLY A 21 0.404 -11.895 13.638 1.00 35.24 N ATOM 273 CA GLY A 21 -0.218 -11.043 14.635 1.00 52.10 C ATOM 274 C GLY A 21 -0.025 -9.569 14.339 1.00 4.24 C ATOM 275 O GLY A 21 0.825 -8.915 14.943 1.00 31.04 O ATOM 0 H GLY A 21 0.622 -11.433 12.755 1.00 35.24 H new ATOM 0 HA2 GLY A 21 -1.284 -11.264 14.683 1.00 52.10 H new ATOM 0 HA3 GLY A 21 0.200 -11.271 15.615 1.00 52.10 H new ATOM 279 N GLU A 22 -0.814 -9.045 13.406 1.00 23.33 N ATOM 280 CA GLU A 22 -0.722 -7.639 13.031 1.00 74.35 C ATOM 281 C GLU A 22 -0.804 -6.741 14.261 1.00 12.23 C ATOM 282 O GLU A 22 -1.844 -6.654 14.912 1.00 35.42 O ATOM 283 CB GLU A 22 -1.837 -7.278 12.047 1.00 51.13 C ATOM 284 CG GLU A 22 -3.200 -7.818 12.446 1.00 31.10 C ATOM 285 CD GLU A 22 -4.317 -7.290 11.567 1.00 13.34 C ATOM 286 OE1 GLU A 22 -4.340 -7.634 10.367 1.00 52.31 O ATOM 287 OE2 GLU A 22 -5.168 -6.533 12.079 1.00 1.44 O ATOM 0 H GLU A 22 -1.523 -9.572 12.897 1.00 23.33 H new ATOM 0 HA GLU A 22 0.243 -7.480 12.551 1.00 74.35 H new ATOM 0 HB2 GLU A 22 -1.897 -6.193 11.961 1.00 51.13 H new ATOM 0 HB3 GLU A 22 -1.578 -7.662 11.061 1.00 51.13 H new ATOM 0 HG2 GLU A 22 -3.185 -8.907 12.393 1.00 31.10 H new ATOM 0 HG3 GLU A 22 -3.403 -7.552 13.483 1.00 31.10 H new ATOM 294 N GLY A 23 0.303 -6.073 14.574 1.00 35.43 N ATOM 295 CA GLY A 23 0.336 -5.191 15.726 1.00 51.01 C ATOM 296 C GLY A 23 1.118 -5.778 16.884 1.00 62.21 C ATOM 297 O GLY A 23 0.976 -5.340 18.026 1.00 54.25 O ATOM 0 H GLY A 23 1.177 -6.127 14.050 1.00 35.43 H new ATOM 0 HA2 GLY A 23 0.780 -4.238 15.438 1.00 51.01 H new ATOM 0 HA3 GLY A 23 -0.684 -4.982 16.049 1.00 51.01 H new ATOM 301 N LYS A 24 1.947 -6.775 16.591 1.00 11.40 N ATOM 302 CA LYS A 24 2.755 -7.424 17.616 1.00 63.41 C ATOM 303 C LYS A 24 4.230 -7.069 17.452 1.00 73.40 C ATOM 304 O LYS A 24 4.598 -6.300 16.565 1.00 55.11 O ATOM 305 CB LYS A 24 2.575 -8.943 17.550 1.00 10.44 C ATOM 306 CG LYS A 24 1.290 -9.431 18.197 1.00 23.01 C ATOM 307 CD LYS A 24 1.109 -10.929 18.016 1.00 42.22 C ATOM 308 CE LYS A 24 1.755 -11.710 19.150 1.00 44.42 C ATOM 309 NZ LYS A 24 0.939 -11.659 20.394 1.00 74.20 N ATOM 0 H LYS A 24 2.076 -7.151 15.652 1.00 11.40 H new ATOM 0 HA LYS A 24 2.419 -7.066 18.589 1.00 63.41 H new ATOM 0 HB2 LYS A 24 2.589 -9.257 16.506 1.00 10.44 H new ATOM 0 HB3 LYS A 24 3.423 -9.423 18.039 1.00 10.44 H new ATOM 0 HG2 LYS A 24 1.303 -9.191 19.260 1.00 23.01 H new ATOM 0 HG3 LYS A 24 0.440 -8.906 17.762 1.00 23.01 H new ATOM 0 HD2 LYS A 24 0.046 -11.165 17.970 1.00 42.22 H new ATOM 0 HD3 LYS A 24 1.545 -11.237 17.066 1.00 42.22 H new ATOM 0 HE2 LYS A 24 1.889 -12.748 18.846 1.00 44.42 H new ATOM 0 HE3 LYS A 24 2.747 -11.306 19.350 1.00 44.42 H new ATOM 0 HZ1 LYS A 24 1.340 -12.310 21.099 1.00 74.20 H new ATOM 0 HZ2 LYS A 24 0.945 -10.691 20.774 1.00 74.20 H new ATOM 0 HZ3 LYS A 24 -0.039 -11.941 20.180 1.00 74.20 H new ATOM 323 N ALA A 25 5.069 -7.636 18.312 1.00 23.41 N ATOM 324 CA ALA A 25 6.504 -7.382 18.260 1.00 73.32 C ATOM 325 C ALA A 25 7.256 -8.592 17.717 1.00 22.52 C ATOM 326 O ALA A 25 7.190 -9.684 18.284 1.00 2.21 O ATOM 327 CB ALA A 25 7.024 -7.010 19.640 1.00 3.11 C ATOM 0 H ALA A 25 4.780 -8.274 19.053 1.00 23.41 H new ATOM 0 HA ALA A 25 6.676 -6.546 17.582 1.00 73.32 H new ATOM 0 HB1 ALA A 25 8.097 -6.823 19.586 1.00 3.11 H new ATOM 0 HB2 ALA A 25 6.516 -6.111 19.990 1.00 3.11 H new ATOM 0 HB3 ALA A 25 6.833 -7.829 20.334 1.00 3.11 H new ATOM 333 N THR A 26 7.972 -8.393 16.615 1.00 73.25 N ATOM 334 CA THR A 26 8.735 -9.468 15.994 1.00 23.52 C ATOM 335 C THR A 26 10.209 -9.097 15.873 1.00 72.32 C ATOM 336 O THR A 26 10.613 -7.991 16.232 1.00 3.01 O ATOM 337 CB THR A 26 8.187 -9.812 14.596 1.00 24.52 C ATOM 338 OG1 THR A 26 8.783 -11.025 14.121 1.00 32.14 O ATOM 339 CG2 THR A 26 8.467 -8.686 13.613 1.00 13.42 C ATOM 0 H THR A 26 8.039 -7.496 16.134 1.00 73.25 H new ATOM 0 HA THR A 26 8.634 -10.340 16.640 1.00 23.52 H new ATOM 0 HB THR A 26 7.108 -9.944 14.676 1.00 24.52 H new ATOM 0 HG1 THR A 26 8.428 -11.238 13.233 1.00 32.14 H new ATOM 0 HG21 THR A 26 8.071 -8.952 12.633 1.00 13.42 H new ATOM 0 HG22 THR A 26 7.988 -7.771 13.962 1.00 13.42 H new ATOM 0 HG23 THR A 26 9.543 -8.527 13.539 1.00 13.42 H new ATOM 347 N THR A 27 11.009 -10.029 15.363 1.00 0.32 N ATOM 348 CA THR A 27 12.438 -9.799 15.195 1.00 64.43 C ATOM 349 C THR A 27 12.803 -9.661 13.721 1.00 21.30 C ATOM 350 O THR A 27 12.130 -10.212 12.851 1.00 74.40 O ATOM 351 CB THR A 27 13.267 -10.942 15.812 1.00 2.41 C ATOM 352 OG1 THR A 27 12.575 -12.186 15.661 1.00 64.24 O ATOM 353 CG2 THR A 27 13.534 -10.680 17.287 1.00 64.33 C ATOM 0 H THR A 27 10.691 -10.949 15.060 1.00 0.32 H new ATOM 0 HA THR A 27 12.672 -8.869 15.713 1.00 64.43 H new ATOM 0 HB THR A 27 14.222 -10.993 15.289 1.00 2.41 H new ATOM 0 HG1 THR A 27 13.109 -12.907 16.054 1.00 64.24 H new ATOM 0 HG21 THR A 27 14.121 -11.500 17.702 1.00 64.33 H new ATOM 0 HG22 THR A 27 14.086 -9.747 17.397 1.00 64.33 H new ATOM 0 HG23 THR A 27 12.586 -10.606 17.821 1.00 64.33 H new ATOM 361 N ALA A 28 13.874 -8.923 13.448 1.00 53.31 N ATOM 362 CA ALA A 28 14.329 -8.715 12.079 1.00 3.10 C ATOM 363 C ALA A 28 14.481 -10.042 11.343 1.00 2.05 C ATOM 364 O ALA A 28 14.060 -10.178 10.195 1.00 75.35 O ATOM 365 CB ALA A 28 15.645 -7.951 12.071 1.00 23.21 C ATOM 0 H ALA A 28 14.443 -8.459 14.157 1.00 53.31 H new ATOM 0 HA ALA A 28 13.575 -8.125 11.558 1.00 3.10 H new ATOM 0 HB1 ALA A 28 15.973 -7.803 11.042 1.00 23.21 H new ATOM 0 HB2 ALA A 28 15.506 -6.982 12.551 1.00 23.21 H new ATOM 0 HB3 ALA A 28 16.399 -8.520 12.614 1.00 23.21 H new ATOM 371 N HIS A 29 15.087 -11.018 12.012 1.00 34.24 N ATOM 372 CA HIS A 29 15.294 -12.335 11.421 1.00 22.54 C ATOM 373 C HIS A 29 13.968 -13.070 11.252 1.00 72.11 C ATOM 374 O HIS A 29 13.844 -13.963 10.413 1.00 41.51 O ATOM 375 CB HIS A 29 16.242 -13.164 12.290 1.00 50.45 C ATOM 376 CG HIS A 29 16.656 -14.457 11.658 1.00 30.34 C ATOM 377 ND1 HIS A 29 17.253 -14.532 10.418 1.00 62.22 N ATOM 378 CD2 HIS A 29 16.557 -15.731 12.104 1.00 24.44 C ATOM 379 CE1 HIS A 29 17.502 -15.797 10.127 1.00 4.42 C ATOM 380 NE2 HIS A 29 17.090 -16.545 11.135 1.00 42.33 N ATOM 0 H HIS A 29 15.443 -10.922 12.963 1.00 34.24 H new ATOM 0 HA HIS A 29 15.741 -12.197 10.436 1.00 22.54 H new ATOM 0 HB2 HIS A 29 17.132 -12.574 12.507 1.00 50.45 H new ATOM 0 HB3 HIS A 29 15.758 -13.374 13.244 1.00 50.45 H new ATOM 0 HD2 HIS A 29 16.137 -16.048 13.047 1.00 24.44 H new ATOM 0 HE1 HIS A 29 17.964 -16.158 9.220 1.00 4.42 H new ATOM 0 HE2 HIS A 29 17.157 -17.562 11.185 1.00 42.33 H new ATOM 388 N ASP A 30 12.980 -12.689 12.054 1.00 33.30 N ATOM 389 CA ASP A 30 11.662 -13.312 11.993 1.00 42.43 C ATOM 390 C ASP A 30 10.824 -12.700 10.875 1.00 54.50 C ATOM 391 O ASP A 30 10.123 -13.408 10.150 1.00 23.05 O ATOM 392 CB ASP A 30 10.939 -13.158 13.332 1.00 64.31 C ATOM 393 CG ASP A 30 11.283 -14.269 14.305 1.00 12.45 C ATOM 394 OD1 ASP A 30 12.209 -15.052 14.009 1.00 51.31 O ATOM 395 OD2 ASP A 30 10.625 -14.355 15.364 1.00 52.24 O ATOM 0 H ASP A 30 13.066 -11.952 12.754 1.00 33.30 H new ATOM 0 HA ASP A 30 11.798 -14.373 11.783 1.00 42.43 H new ATOM 0 HB2 ASP A 30 11.201 -12.197 13.775 1.00 64.31 H new ATOM 0 HB3 ASP A 30 9.862 -13.148 13.162 1.00 64.31 H new ATOM 400 N LEU A 31 10.899 -11.380 10.741 1.00 15.01 N ATOM 401 CA LEU A 31 10.145 -10.671 9.712 1.00 65.40 C ATOM 402 C LEU A 31 10.827 -10.799 8.353 1.00 31.43 C ATOM 403 O LEU A 31 10.189 -11.139 7.357 1.00 15.11 O ATOM 404 CB LEU A 31 9.999 -9.195 10.085 1.00 61.12 C ATOM 405 CG LEU A 31 11.294 -8.457 10.426 1.00 22.52 C ATOM 406 CD1 LEU A 31 11.782 -7.654 9.231 1.00 52.33 C ATOM 407 CD2 LEU A 31 11.090 -7.552 11.632 1.00 24.34 C ATOM 0 H LEU A 31 11.474 -10.779 11.332 1.00 15.01 H new ATOM 0 HA LEU A 31 9.155 -11.122 9.645 1.00 65.40 H new ATOM 0 HB2 LEU A 31 9.517 -8.677 9.256 1.00 61.12 H new ATOM 0 HB3 LEU A 31 9.327 -9.122 10.940 1.00 61.12 H new ATOM 0 HG LEU A 31 12.055 -9.196 10.676 1.00 22.52 H new ATOM 0 HD11 LEU A 31 12.704 -7.136 9.493 1.00 52.33 H new ATOM 0 HD12 LEU A 31 11.969 -8.326 8.393 1.00 52.33 H new ATOM 0 HD13 LEU A 31 11.023 -6.924 8.949 1.00 52.33 H new ATOM 0 HD21 LEU A 31 12.022 -7.035 11.860 1.00 24.34 H new ATOM 0 HD22 LEU A 31 10.313 -6.820 11.410 1.00 24.34 H new ATOM 0 HD23 LEU A 31 10.788 -8.152 12.490 1.00 24.34 H new ATOM 419 N SER A 32 12.128 -10.527 8.321 1.00 34.44 N ATOM 420 CA SER A 32 12.896 -10.611 7.085 1.00 52.42 C ATOM 421 C SER A 32 12.839 -12.020 6.504 1.00 73.15 C ATOM 422 O SER A 32 12.805 -12.201 5.287 1.00 33.22 O ATOM 423 CB SER A 32 14.350 -10.208 7.335 1.00 25.52 C ATOM 424 OG SER A 32 15.103 -11.301 7.834 1.00 40.15 O ATOM 0 H SER A 32 12.672 -10.247 9.137 1.00 34.44 H new ATOM 0 HA SER A 32 12.454 -9.922 6.365 1.00 52.42 H new ATOM 0 HB2 SER A 32 14.796 -9.848 6.408 1.00 25.52 H new ATOM 0 HB3 SER A 32 14.385 -9.383 8.046 1.00 25.52 H new ATOM 0 HG SER A 32 14.907 -11.425 8.786 1.00 40.15 H new ATOM 430 N GLY A 33 12.829 -13.017 7.384 1.00 55.42 N ATOM 431 CA GLY A 33 12.776 -14.397 6.940 1.00 32.54 C ATOM 432 C GLY A 33 11.389 -14.808 6.486 1.00 21.04 C ATOM 433 O GLY A 33 11.241 -15.593 5.549 1.00 0.24 O ATOM 0 H GLY A 33 12.857 -12.893 8.396 1.00 55.42 H new ATOM 0 HA2 GLY A 33 13.480 -14.539 6.120 1.00 32.54 H new ATOM 0 HA3 GLY A 33 13.097 -15.049 7.752 1.00 32.54 H new ATOM 437 N LYS A 34 10.369 -14.278 7.153 1.00 60.11 N ATOM 438 CA LYS A 34 8.986 -14.594 6.814 1.00 44.51 C ATOM 439 C LYS A 34 8.590 -13.949 5.489 1.00 3.35 C ATOM 440 O LYS A 34 7.858 -14.539 4.694 1.00 22.42 O ATOM 441 CB LYS A 34 8.047 -14.120 7.925 1.00 34.30 C ATOM 442 CG LYS A 34 7.932 -15.098 9.082 1.00 54.21 C ATOM 443 CD LYS A 34 7.208 -14.478 10.266 1.00 73.35 C ATOM 444 CE LYS A 34 6.672 -15.543 11.210 1.00 12.14 C ATOM 445 NZ LYS A 34 5.507 -16.265 10.629 1.00 72.34 N ATOM 0 H LYS A 34 10.474 -13.628 7.932 1.00 60.11 H new ATOM 0 HA LYS A 34 8.901 -15.676 6.711 1.00 44.51 H new ATOM 0 HB2 LYS A 34 8.401 -13.161 8.304 1.00 34.30 H new ATOM 0 HB3 LYS A 34 7.056 -13.950 7.504 1.00 34.30 H new ATOM 0 HG2 LYS A 34 7.398 -15.990 8.754 1.00 54.21 H new ATOM 0 HG3 LYS A 34 8.928 -15.418 9.390 1.00 54.21 H new ATOM 0 HD2 LYS A 34 7.889 -13.820 10.806 1.00 73.35 H new ATOM 0 HD3 LYS A 34 6.385 -13.860 9.908 1.00 73.35 H new ATOM 0 HE2 LYS A 34 7.464 -16.256 11.439 1.00 12.14 H new ATOM 0 HE3 LYS A 34 6.379 -15.079 12.152 1.00 12.14 H new ATOM 0 HZ1 LYS A 34 4.997 -16.765 11.385 1.00 72.34 H new ATOM 0 HZ2 LYS A 34 4.868 -15.583 10.173 1.00 72.34 H new ATOM 0 HZ3 LYS A 34 5.841 -16.952 9.923 1.00 72.34 H new ATOM 459 N LEU A 35 9.079 -12.735 5.258 1.00 20.40 N ATOM 460 CA LEU A 35 8.777 -12.011 4.028 1.00 1.34 C ATOM 461 C LEU A 35 9.717 -12.432 2.903 1.00 1.14 C ATOM 462 O LEU A 35 9.403 -12.270 1.725 1.00 43.40 O ATOM 463 CB LEU A 35 8.886 -10.503 4.262 1.00 42.11 C ATOM 464 CG LEU A 35 7.675 -9.835 4.913 1.00 34.35 C ATOM 465 CD1 LEU A 35 7.926 -9.604 6.395 1.00 15.44 C ATOM 466 CD2 LEU A 35 7.348 -8.524 4.214 1.00 4.44 C ATOM 0 H LEU A 35 9.686 -12.232 5.906 1.00 20.40 H new ATOM 0 HA LEU A 35 7.756 -12.254 3.733 1.00 1.34 H new ATOM 0 HB2 LEU A 35 9.759 -10.315 4.887 1.00 42.11 H new ATOM 0 HB3 LEU A 35 9.070 -10.019 3.303 1.00 42.11 H new ATOM 0 HG LEU A 35 6.818 -10.501 4.810 1.00 34.35 H new ATOM 0 HD11 LEU A 35 7.053 -9.128 6.842 1.00 15.44 H new ATOM 0 HD12 LEU A 35 8.109 -10.560 6.886 1.00 15.44 H new ATOM 0 HD13 LEU A 35 8.796 -8.959 6.521 1.00 15.44 H new ATOM 0 HD21 LEU A 35 6.483 -8.063 4.691 1.00 4.44 H new ATOM 0 HD22 LEU A 35 8.203 -7.851 4.284 1.00 4.44 H new ATOM 0 HD23 LEU A 35 7.123 -8.717 3.165 1.00 4.44 H new ATOM 478 N GLY A 36 10.872 -12.976 3.276 1.00 13.01 N ATOM 479 CA GLY A 36 11.839 -13.414 2.287 1.00 72.22 C ATOM 480 C GLY A 36 12.693 -12.275 1.766 1.00 13.04 C ATOM 481 O GLY A 36 13.243 -12.352 0.667 1.00 31.43 O ATOM 0 H GLY A 36 11.155 -13.121 4.245 1.00 13.01 H new ATOM 0 HA2 GLY A 36 12.483 -14.176 2.726 1.00 72.22 H new ATOM 0 HA3 GLY A 36 11.315 -13.882 1.453 1.00 72.22 H new ATOM 485 N THR A 37 12.804 -11.212 2.557 1.00 54.44 N ATOM 486 CA THR A 37 13.594 -10.050 2.169 1.00 72.14 C ATOM 487 C THR A 37 14.943 -10.041 2.878 1.00 61.30 C ATOM 488 O THR A 37 15.129 -10.674 3.918 1.00 62.04 O ATOM 489 CB THR A 37 12.853 -8.736 2.482 1.00 21.52 C ATOM 490 OG1 THR A 37 11.973 -8.924 3.596 1.00 25.04 O ATOM 491 CG2 THR A 37 12.057 -8.263 1.275 1.00 3.45 C ATOM 0 H THR A 37 12.357 -11.132 3.470 1.00 54.44 H new ATOM 0 HA THR A 37 13.753 -10.121 1.093 1.00 72.14 H new ATOM 0 HB THR A 37 13.594 -7.976 2.729 1.00 21.52 H new ATOM 0 HG1 THR A 37 11.507 -8.084 3.790 1.00 25.04 H new ATOM 0 HG21 THR A 37 11.542 -7.334 1.520 1.00 3.45 H new ATOM 0 HG22 THR A 37 12.733 -8.093 0.437 1.00 3.45 H new ATOM 0 HG23 THR A 37 11.324 -9.022 1.002 1.00 3.45 H new ATOM 499 N PRO A 38 15.909 -9.307 2.306 1.00 73.04 N ATOM 500 CA PRO A 38 17.258 -9.197 2.868 1.00 61.23 C ATOM 501 C PRO A 38 17.282 -8.396 4.165 1.00 63.11 C ATOM 502 O PRO A 38 16.436 -7.530 4.388 1.00 45.43 O ATOM 503 CB PRO A 38 18.040 -8.466 1.773 1.00 31.52 C ATOM 504 CG PRO A 38 17.010 -7.696 1.022 1.00 13.10 C ATOM 505 CD PRO A 38 15.757 -8.527 1.066 1.00 43.02 C ATOM 0 HA PRO A 38 17.672 -10.171 3.128 1.00 61.23 H new ATOM 0 HB2 PRO A 38 18.795 -7.806 2.199 1.00 31.52 H new ATOM 0 HB3 PRO A 38 18.561 -9.168 1.123 1.00 31.52 H new ATOM 0 HG2 PRO A 38 16.846 -6.719 1.476 1.00 13.10 H new ATOM 0 HG3 PRO A 38 17.326 -7.521 -0.006 1.00 13.10 H new ATOM 0 HD2 PRO A 38 14.863 -7.905 1.090 1.00 43.02 H new ATOM 0 HD3 PRO A 38 15.672 -9.173 0.192 1.00 43.02 H new ATOM 513 N LYS A 39 18.257 -8.690 5.019 1.00 70.55 N ATOM 514 CA LYS A 39 18.393 -7.997 6.294 1.00 44.33 C ATOM 515 C LYS A 39 18.678 -6.514 6.079 1.00 43.24 C ATOM 516 O LYS A 39 18.378 -5.682 6.936 1.00 64.43 O ATOM 517 CB LYS A 39 19.514 -8.627 7.123 1.00 21.24 C ATOM 518 CG LYS A 39 20.844 -8.701 6.393 1.00 72.20 C ATOM 519 CD LYS A 39 22.010 -8.771 7.364 1.00 23.21 C ATOM 520 CE LYS A 39 22.309 -10.205 7.774 1.00 62.11 C ATOM 521 NZ LYS A 39 23.176 -10.897 6.780 1.00 75.02 N ATOM 0 H LYS A 39 18.965 -9.404 4.850 1.00 70.55 H new ATOM 0 HA LYS A 39 17.451 -8.094 6.834 1.00 44.33 H new ATOM 0 HB2 LYS A 39 19.644 -8.051 8.039 1.00 21.24 H new ATOM 0 HB3 LYS A 39 19.215 -9.633 7.418 1.00 21.24 H new ATOM 0 HG2 LYS A 39 20.856 -9.577 5.745 1.00 72.20 H new ATOM 0 HG3 LYS A 39 20.956 -7.828 5.750 1.00 72.20 H new ATOM 0 HD2 LYS A 39 22.895 -8.331 6.904 1.00 23.21 H new ATOM 0 HD3 LYS A 39 21.783 -8.178 8.250 1.00 23.21 H new ATOM 0 HE2 LYS A 39 22.798 -10.210 8.748 1.00 62.11 H new ATOM 0 HE3 LYS A 39 21.374 -10.754 7.884 1.00 62.11 H new ATOM 0 HZ1 LYS A 39 23.357 -11.871 7.096 1.00 75.02 H new ATOM 0 HZ2 LYS A 39 22.699 -10.915 5.856 1.00 75.02 H new ATOM 0 HZ3 LYS A 39 24.079 -10.388 6.693 1.00 75.02 H new ATOM 535 N LYS A 40 19.258 -6.188 4.928 1.00 20.22 N ATOM 536 CA LYS A 40 19.581 -4.805 4.598 1.00 23.22 C ATOM 537 C LYS A 40 18.316 -4.005 4.308 1.00 75.01 C ATOM 538 O LYS A 40 18.249 -2.809 4.588 1.00 3.25 O ATOM 539 CB LYS A 40 20.519 -4.753 3.390 1.00 74.45 C ATOM 540 CG LYS A 40 19.842 -5.115 2.079 1.00 73.41 C ATOM 541 CD LYS A 40 20.823 -5.733 1.096 1.00 12.35 C ATOM 542 CE LYS A 40 21.199 -7.150 1.500 1.00 35.23 C ATOM 543 NZ LYS A 40 22.585 -7.497 1.081 1.00 33.41 N ATOM 0 H LYS A 40 19.514 -6.864 4.208 1.00 20.22 H new ATOM 0 HA LYS A 40 20.081 -4.360 5.458 1.00 23.22 H new ATOM 0 HB2 LYS A 40 20.938 -3.750 3.308 1.00 74.45 H new ATOM 0 HB3 LYS A 40 21.353 -5.434 3.559 1.00 74.45 H new ATOM 0 HG2 LYS A 40 19.028 -5.814 2.270 1.00 73.41 H new ATOM 0 HG3 LYS A 40 19.399 -4.222 1.639 1.00 73.41 H new ATOM 0 HD2 LYS A 40 20.383 -5.743 0.099 1.00 12.35 H new ATOM 0 HD3 LYS A 40 21.722 -5.118 1.042 1.00 12.35 H new ATOM 0 HE2 LYS A 40 21.109 -7.255 2.581 1.00 35.23 H new ATOM 0 HE3 LYS A 40 20.497 -7.854 1.052 1.00 35.23 H new ATOM 0 HZ1 LYS A 40 22.803 -8.471 1.375 1.00 33.41 H new ATOM 0 HZ2 LYS A 40 22.664 -7.421 0.047 1.00 33.41 H new ATOM 0 HZ3 LYS A 40 23.257 -6.842 1.528 1.00 33.41 H new ATOM 557 N GLU A 41 17.314 -4.674 3.746 1.00 74.11 N ATOM 558 CA GLU A 41 16.050 -4.024 3.419 1.00 41.30 C ATOM 559 C GLU A 41 15.232 -3.759 4.680 1.00 43.22 C ATOM 560 O GLU A 41 14.889 -2.615 4.980 1.00 35.23 O ATOM 561 CB GLU A 41 15.243 -4.887 2.447 1.00 43.24 C ATOM 562 CG GLU A 41 13.904 -4.281 2.063 1.00 73.22 C ATOM 563 CD GLU A 41 14.046 -3.093 1.131 1.00 30.23 C ATOM 564 OE1 GLU A 41 15.168 -2.858 0.636 1.00 11.54 O ATOM 565 OE2 GLU A 41 13.034 -2.399 0.897 1.00 23.13 O ATOM 0 H GLU A 41 17.353 -5.665 3.508 1.00 74.11 H new ATOM 0 HA GLU A 41 16.275 -3.069 2.945 1.00 41.30 H new ATOM 0 HB2 GLU A 41 15.831 -5.049 1.544 1.00 43.24 H new ATOM 0 HB3 GLU A 41 15.074 -5.865 2.897 1.00 43.24 H new ATOM 0 HG2 GLU A 41 13.289 -5.043 1.583 1.00 73.22 H new ATOM 0 HG3 GLU A 41 13.379 -3.969 2.966 1.00 73.22 H new ATOM 572 N ILE A 42 14.924 -4.824 5.413 1.00 43.54 N ATOM 573 CA ILE A 42 14.148 -4.706 6.641 1.00 72.44 C ATOM 574 C ILE A 42 14.787 -3.710 7.602 1.00 13.01 C ATOM 575 O ILE A 42 14.098 -3.065 8.392 1.00 32.31 O ATOM 576 CB ILE A 42 14.006 -6.067 7.349 1.00 55.34 C ATOM 577 CG1 ILE A 42 15.384 -6.626 7.708 1.00 53.11 C ATOM 578 CG2 ILE A 42 13.244 -7.045 6.467 1.00 21.51 C ATOM 579 CD1 ILE A 42 15.869 -6.204 9.077 1.00 34.23 C ATOM 0 H ILE A 42 15.200 -5.777 5.178 1.00 43.54 H new ATOM 0 HA ILE A 42 13.159 -4.348 6.356 1.00 72.44 H new ATOM 0 HB ILE A 42 13.442 -5.924 8.271 1.00 55.34 H new ATOM 0 HG12 ILE A 42 15.348 -7.715 7.664 1.00 53.11 H new ATOM 0 HG13 ILE A 42 16.106 -6.300 6.959 1.00 53.11 H new ATOM 0 HG21 ILE A 42 13.152 -8.002 6.980 1.00 21.51 H new ATOM 0 HG22 ILE A 42 12.251 -6.648 6.257 1.00 21.51 H new ATOM 0 HG23 ILE A 42 13.783 -7.186 5.530 1.00 21.51 H new ATOM 0 HD11 ILE A 42 16.852 -6.637 9.264 1.00 34.23 H new ATOM 0 HD12 ILE A 42 15.937 -5.117 9.120 1.00 34.23 H new ATOM 0 HD13 ILE A 42 15.168 -6.554 9.835 1.00 34.23 H new ATOM 591 N ALA A 43 16.108 -3.588 7.528 1.00 70.14 N ATOM 592 CA ALA A 43 16.840 -2.667 8.388 1.00 31.24 C ATOM 593 C ALA A 43 16.710 -1.231 7.892 1.00 63.20 C ATOM 594 O ALA A 43 16.801 -0.284 8.673 1.00 10.10 O ATOM 595 CB ALA A 43 18.305 -3.070 8.467 1.00 31.25 C ATOM 0 H ALA A 43 16.693 -4.116 6.881 1.00 70.14 H new ATOM 0 HA ALA A 43 16.406 -2.719 9.387 1.00 31.24 H new ATOM 0 HB1 ALA A 43 18.840 -2.373 9.113 1.00 31.25 H new ATOM 0 HB2 ALA A 43 18.384 -4.077 8.876 1.00 31.25 H new ATOM 0 HB3 ALA A 43 18.743 -3.049 7.469 1.00 31.25 H new ATOM 601 N ARG A 44 16.498 -1.077 6.589 1.00 24.30 N ATOM 602 CA ARG A 44 16.358 0.244 5.989 1.00 65.24 C ATOM 603 C ARG A 44 14.914 0.729 6.072 1.00 70.43 C ATOM 604 O ARG A 44 14.657 1.916 6.271 1.00 70.03 O ATOM 605 CB ARG A 44 16.815 0.215 4.529 1.00 73.23 C ATOM 606 CG ARG A 44 17.737 1.364 4.156 1.00 53.23 C ATOM 607 CD ARG A 44 16.965 2.519 3.536 1.00 21.04 C ATOM 608 NE ARG A 44 16.324 2.138 2.281 1.00 71.12 N ATOM 609 CZ ARG A 44 16.959 2.094 1.115 1.00 22.30 C ATOM 610 NH1 ARG A 44 18.246 2.405 1.045 1.00 22.14 N ATOM 611 NH2 ARG A 44 16.307 1.737 0.016 1.00 41.22 N ATOM 0 H ARG A 44 16.419 -1.851 5.929 1.00 24.30 H new ATOM 0 HA ARG A 44 16.988 0.937 6.546 1.00 65.24 H new ATOM 0 HB2 ARG A 44 17.327 -0.728 4.336 1.00 73.23 H new ATOM 0 HB3 ARG A 44 15.938 0.239 3.882 1.00 73.23 H new ATOM 0 HG2 ARG A 44 18.264 1.712 5.044 1.00 53.23 H new ATOM 0 HG3 ARG A 44 18.493 1.012 3.454 1.00 53.23 H new ATOM 0 HD2 ARG A 44 16.208 2.867 4.238 1.00 21.04 H new ATOM 0 HD3 ARG A 44 17.643 3.354 3.358 1.00 21.04 H new ATOM 0 HE ARG A 44 15.334 1.892 2.300 1.00 71.12 H new ATOM 0 HH11 ARG A 44 18.751 2.679 1.888 1.00 22.14 H new ATOM 0 HH12 ARG A 44 18.731 2.370 0.148 1.00 22.14 H new ATOM 0 HH21 ARG A 44 15.317 1.496 0.066 1.00 41.22 H new ATOM 0 HH22 ARG A 44 16.796 1.704 -0.879 1.00 41.22 H new ATOM 625 N VAL A 45 13.974 -0.199 5.917 1.00 2.24 N ATOM 626 CA VAL A 45 12.556 0.133 5.976 1.00 53.34 C ATOM 627 C VAL A 45 12.109 0.388 7.411 1.00 43.12 C ATOM 628 O VAL A 45 11.178 1.157 7.656 1.00 24.41 O ATOM 629 CB VAL A 45 11.691 -0.990 5.372 1.00 1.33 C ATOM 630 CG1 VAL A 45 10.213 -0.674 5.540 1.00 54.03 C ATOM 631 CG2 VAL A 45 12.037 -1.199 3.906 1.00 44.42 C ATOM 0 H VAL A 45 14.170 -1.186 5.750 1.00 2.24 H new ATOM 0 HA VAL A 45 12.420 1.042 5.390 1.00 53.34 H new ATOM 0 HB VAL A 45 11.903 -1.916 5.907 1.00 1.33 H new ATOM 0 HG11 VAL A 45 9.618 -1.478 5.108 1.00 54.03 H new ATOM 0 HG12 VAL A 45 9.979 -0.579 6.600 1.00 54.03 H new ATOM 0 HG13 VAL A 45 9.981 0.262 5.033 1.00 54.03 H new ATOM 0 HG21 VAL A 45 11.417 -1.996 3.496 1.00 44.42 H new ATOM 0 HG22 VAL A 45 11.855 -0.277 3.354 1.00 44.42 H new ATOM 0 HG23 VAL A 45 13.088 -1.475 3.816 1.00 44.42 H new ATOM 641 N LEU A 46 12.779 -0.261 8.357 1.00 71.13 N ATOM 642 CA LEU A 46 12.452 -0.105 9.770 1.00 41.11 C ATOM 643 C LEU A 46 12.868 1.272 10.276 1.00 4.41 C ATOM 644 O LEU A 46 12.205 1.856 11.132 1.00 2.44 O ATOM 645 CB LEU A 46 13.139 -1.194 10.596 1.00 42.31 C ATOM 646 CG LEU A 46 12.964 -1.097 12.112 1.00 42.11 C ATOM 647 CD1 LEU A 46 11.784 -1.941 12.568 1.00 63.11 C ATOM 648 CD2 LEU A 46 14.238 -1.528 12.824 1.00 31.14 C ATOM 0 H LEU A 46 13.552 -0.900 8.171 1.00 71.13 H new ATOM 0 HA LEU A 46 11.372 -0.201 9.881 1.00 41.11 H new ATOM 0 HB2 LEU A 46 12.762 -2.163 10.268 1.00 42.31 H new ATOM 0 HB3 LEU A 46 14.205 -1.174 10.371 1.00 42.31 H new ATOM 0 HG LEU A 46 12.761 -0.057 12.370 1.00 42.11 H new ATOM 0 HD11 LEU A 46 11.675 -1.860 13.649 1.00 63.11 H new ATOM 0 HD12 LEU A 46 10.874 -1.586 12.084 1.00 63.11 H new ATOM 0 HD13 LEU A 46 11.956 -2.983 12.298 1.00 63.11 H new ATOM 0 HD21 LEU A 46 14.096 -1.453 13.902 1.00 31.14 H new ATOM 0 HD22 LEU A 46 14.471 -2.560 12.560 1.00 31.14 H new ATOM 0 HD23 LEU A 46 15.061 -0.881 12.521 1.00 31.14 H new ATOM 660 N ALA A 47 13.970 1.786 9.739 1.00 1.40 N ATOM 661 CA ALA A 47 14.472 3.097 10.133 1.00 24.31 C ATOM 662 C ALA A 47 13.733 4.211 9.400 1.00 3.11 C ATOM 663 O ALA A 47 13.571 5.312 9.926 1.00 2.03 O ATOM 664 CB ALA A 47 15.968 3.190 9.869 1.00 71.11 C ATOM 0 H ALA A 47 14.532 1.315 9.030 1.00 1.40 H new ATOM 0 HA ALA A 47 14.294 3.221 11.201 1.00 24.31 H new ATOM 0 HB1 ALA A 47 16.330 4.174 10.168 1.00 71.11 H new ATOM 0 HB2 ALA A 47 16.487 2.423 10.443 1.00 71.11 H new ATOM 0 HB3 ALA A 47 16.160 3.040 8.807 1.00 71.11 H new ATOM 670 N SER A 48 13.288 3.918 8.182 1.00 12.35 N ATOM 671 CA SER A 48 12.570 4.898 7.375 1.00 33.42 C ATOM 672 C SER A 48 11.161 5.121 7.918 1.00 44.02 C ATOM 673 O SER A 48 10.596 6.207 7.783 1.00 43.14 O ATOM 674 CB SER A 48 12.500 4.436 5.918 1.00 0.32 C ATOM 675 OG SER A 48 12.413 5.542 5.037 1.00 53.43 O ATOM 0 H SER A 48 13.412 3.011 7.733 1.00 12.35 H new ATOM 0 HA SER A 48 13.113 5.842 7.424 1.00 33.42 H new ATOM 0 HB2 SER A 48 13.383 3.844 5.678 1.00 0.32 H new ATOM 0 HB3 SER A 48 11.635 3.788 5.780 1.00 0.32 H new ATOM 0 HG SER A 48 12.371 5.221 4.112 1.00 53.43 H new ATOM 681 N LEU A 49 10.600 4.086 8.532 1.00 30.41 N ATOM 682 CA LEU A 49 9.257 4.167 9.096 1.00 20.11 C ATOM 683 C LEU A 49 9.280 4.845 10.462 1.00 23.13 C ATOM 684 O LEU A 49 8.502 5.761 10.725 1.00 41.33 O ATOM 685 CB LEU A 49 8.648 2.769 9.218 1.00 24.22 C ATOM 686 CG LEU A 49 7.640 2.379 8.137 1.00 63.24 C ATOM 687 CD1 LEU A 49 6.384 3.228 8.247 1.00 52.32 C ATOM 688 CD2 LEU A 49 8.261 2.518 6.754 1.00 31.01 C ATOM 0 H LEU A 49 11.054 3.181 8.652 1.00 30.41 H new ATOM 0 HA LEU A 49 8.643 4.766 8.424 1.00 20.11 H new ATOM 0 HB2 LEU A 49 9.458 2.040 9.211 1.00 24.22 H new ATOM 0 HB3 LEU A 49 8.158 2.692 10.188 1.00 24.22 H new ATOM 0 HG LEU A 49 7.362 1.336 8.286 1.00 63.24 H new ATOM 0 HD11 LEU A 49 5.678 2.936 7.469 1.00 52.32 H new ATOM 0 HD12 LEU A 49 5.928 3.078 9.226 1.00 52.32 H new ATOM 0 HD13 LEU A 49 6.644 4.280 8.125 1.00 52.32 H new ATOM 0 HD21 LEU A 49 7.529 2.236 5.997 1.00 31.01 H new ATOM 0 HD22 LEU A 49 8.568 3.552 6.595 1.00 31.01 H new ATOM 0 HD23 LEU A 49 9.131 1.866 6.679 1.00 31.01 H new ATOM 700 N ALA A 50 10.180 4.389 11.328 1.00 13.01 N ATOM 701 CA ALA A 50 10.307 4.954 12.666 1.00 44.34 C ATOM 702 C ALA A 50 10.501 6.466 12.607 1.00 61.34 C ATOM 703 O ALA A 50 10.132 7.186 13.534 1.00 1.23 O ATOM 704 CB ALA A 50 11.464 4.300 13.407 1.00 44.55 C ATOM 0 H ALA A 50 10.831 3.630 11.127 1.00 13.01 H new ATOM 0 HA ALA A 50 9.383 4.753 13.208 1.00 44.34 H new ATOM 0 HB1 ALA A 50 11.547 4.731 14.405 1.00 44.55 H new ATOM 0 HB2 ALA A 50 11.284 3.228 13.489 1.00 44.55 H new ATOM 0 HB3 ALA A 50 12.390 4.472 12.859 1.00 44.55 H new ATOM 710 N LYS A 51 11.083 6.941 11.510 1.00 32.45 N ATOM 711 CA LYS A 51 11.326 8.367 11.329 1.00 33.23 C ATOM 712 C LYS A 51 10.018 9.151 11.370 1.00 31.11 C ATOM 713 O LYS A 51 9.998 10.327 11.733 1.00 42.30 O ATOM 714 CB LYS A 51 12.042 8.618 10.001 1.00 42.44 C ATOM 715 CG LYS A 51 12.437 10.070 9.788 1.00 71.54 C ATOM 716 CD LYS A 51 12.899 10.318 8.362 1.00 41.23 C ATOM 717 CE LYS A 51 13.347 11.758 8.164 1.00 3.21 C ATOM 718 NZ LYS A 51 13.832 12.003 6.778 1.00 65.24 N ATOM 0 H LYS A 51 11.395 6.358 10.733 1.00 32.45 H new ATOM 0 HA LYS A 51 11.960 8.709 12.147 1.00 33.23 H new ATOM 0 HB2 LYS A 51 12.936 7.997 9.957 1.00 42.44 H new ATOM 0 HB3 LYS A 51 11.394 8.303 9.183 1.00 42.44 H new ATOM 0 HG2 LYS A 51 11.589 10.716 10.014 1.00 71.54 H new ATOM 0 HG3 LYS A 51 13.234 10.337 10.482 1.00 71.54 H new ATOM 0 HD2 LYS A 51 13.721 9.644 8.122 1.00 41.23 H new ATOM 0 HD3 LYS A 51 12.088 10.090 7.671 1.00 41.23 H new ATOM 0 HE2 LYS A 51 12.517 12.430 8.382 1.00 3.21 H new ATOM 0 HE3 LYS A 51 14.141 11.992 8.873 1.00 3.21 H new ATOM 0 HZ1 LYS A 51 14.128 12.996 6.684 1.00 65.24 H new ATOM 0 HZ2 LYS A 51 14.641 11.380 6.578 1.00 65.24 H new ATOM 0 HZ3 LYS A 51 13.067 11.805 6.102 1.00 65.24 H new ATOM 732 N LYS A 52 8.926 8.492 10.997 1.00 23.31 N ATOM 733 CA LYS A 52 7.613 9.125 10.994 1.00 40.35 C ATOM 734 C LYS A 52 7.005 9.125 12.392 1.00 32.34 C ATOM 735 O LYS A 52 6.142 9.944 12.705 1.00 2.21 O ATOM 736 CB LYS A 52 6.679 8.404 10.019 1.00 12.23 C ATOM 737 CG LYS A 52 7.060 8.589 8.561 1.00 45.11 C ATOM 738 CD LYS A 52 6.797 7.330 7.752 1.00 43.34 C ATOM 739 CE LYS A 52 5.323 6.957 7.765 1.00 12.11 C ATOM 740 NZ LYS A 52 4.887 6.373 6.467 1.00 54.14 N ATOM 0 H LYS A 52 8.925 7.518 10.693 1.00 23.31 H new ATOM 0 HA LYS A 52 7.737 10.159 10.672 1.00 40.35 H new ATOM 0 HB2 LYS A 52 6.676 7.339 10.252 1.00 12.23 H new ATOM 0 HB3 LYS A 52 5.662 8.766 10.169 1.00 12.23 H new ATOM 0 HG2 LYS A 52 6.494 9.419 8.138 1.00 45.11 H new ATOM 0 HG3 LYS A 52 8.115 8.854 8.490 1.00 45.11 H new ATOM 0 HD2 LYS A 52 7.126 7.482 6.724 1.00 43.34 H new ATOM 0 HD3 LYS A 52 7.385 6.507 8.157 1.00 43.34 H new ATOM 0 HE2 LYS A 52 5.137 6.242 8.566 1.00 12.11 H new ATOM 0 HE3 LYS A 52 4.726 7.843 7.983 1.00 12.11 H new ATOM 0 HZ1 LYS A 52 3.877 6.132 6.517 1.00 54.14 H new ATOM 0 HZ2 LYS A 52 5.041 7.065 5.706 1.00 54.14 H new ATOM 0 HZ3 LYS A 52 5.438 5.513 6.270 1.00 54.14 H new ATOM 754 N GLY A 53 7.462 8.200 13.231 1.00 33.33 N ATOM 755 CA GLY A 53 6.952 8.111 14.587 1.00 1.32 C ATOM 756 C GLY A 53 5.875 7.055 14.734 1.00 21.21 C ATOM 757 O GLY A 53 5.098 7.078 15.689 1.00 61.41 O ATOM 0 H GLY A 53 8.176 7.511 12.996 1.00 33.33 H new ATOM 0 HA2 GLY A 53 7.774 7.884 15.267 1.00 1.32 H new ATOM 0 HA3 GLY A 53 6.550 9.079 14.885 1.00 1.32 H new ATOM 761 N LYS A 54 5.826 6.126 13.785 1.00 3.11 N ATOM 762 CA LYS A 54 4.836 5.056 13.812 1.00 65.24 C ATOM 763 C LYS A 54 5.494 3.715 14.121 1.00 34.44 C ATOM 764 O LYS A 54 4.856 2.809 14.661 1.00 51.14 O ATOM 765 CB LYS A 54 4.103 4.979 12.471 1.00 74.42 C ATOM 766 CG LYS A 54 2.703 4.398 12.576 1.00 62.40 C ATOM 767 CD LYS A 54 2.214 3.875 11.236 1.00 63.14 C ATOM 768 CE LYS A 54 0.965 3.022 11.392 1.00 31.33 C ATOM 769 NZ LYS A 54 1.226 1.799 12.201 1.00 20.02 N ATOM 0 H LYS A 54 6.461 6.093 12.987 1.00 3.11 H new ATOM 0 HA LYS A 54 4.117 5.279 14.600 1.00 65.24 H new ATOM 0 HB2 LYS A 54 4.041 5.979 12.042 1.00 74.42 H new ATOM 0 HB3 LYS A 54 4.689 4.372 11.781 1.00 74.42 H new ATOM 0 HG2 LYS A 54 2.698 3.589 13.307 1.00 62.40 H new ATOM 0 HG3 LYS A 54 2.017 5.163 12.941 1.00 62.40 H new ATOM 0 HD2 LYS A 54 2.002 4.713 10.572 1.00 63.14 H new ATOM 0 HD3 LYS A 54 3.001 3.286 10.765 1.00 63.14 H new ATOM 0 HE2 LYS A 54 0.180 3.611 11.867 1.00 31.33 H new ATOM 0 HE3 LYS A 54 0.596 2.734 10.407 1.00 31.33 H new ATOM 0 HZ1 LYS A 54 0.506 1.080 11.986 1.00 20.02 H new ATOM 0 HZ2 LYS A 54 2.168 1.425 11.970 1.00 20.02 H new ATOM 0 HZ3 LYS A 54 1.186 2.037 13.213 1.00 20.02 H new ATOM 783 N LEU A 55 6.771 3.594 13.779 1.00 63.12 N ATOM 784 CA LEU A 55 7.516 2.363 14.022 1.00 53.11 C ATOM 785 C LEU A 55 8.359 2.478 15.288 1.00 70.22 C ATOM 786 O LEU A 55 8.648 3.579 15.754 1.00 44.42 O ATOM 787 CB LEU A 55 8.413 2.041 12.825 1.00 13.53 C ATOM 788 CG LEU A 55 7.999 0.836 11.981 1.00 32.31 C ATOM 789 CD1 LEU A 55 8.091 -0.444 12.797 1.00 24.31 C ATOM 790 CD2 LEU A 55 6.590 1.023 11.438 1.00 13.40 C ATOM 0 H LEU A 55 7.313 4.333 13.332 1.00 63.12 H new ATOM 0 HA LEU A 55 6.798 1.554 14.158 1.00 53.11 H new ATOM 0 HB2 LEU A 55 8.449 2.917 12.178 1.00 13.53 H new ATOM 0 HB3 LEU A 55 9.426 1.872 13.191 1.00 13.53 H new ATOM 0 HG LEU A 55 8.684 0.756 11.137 1.00 32.31 H new ATOM 0 HD11 LEU A 55 7.792 -1.291 12.180 1.00 24.31 H new ATOM 0 HD12 LEU A 55 9.117 -0.586 13.137 1.00 24.31 H new ATOM 0 HD13 LEU A 55 7.430 -0.373 13.660 1.00 24.31 H new ATOM 0 HD21 LEU A 55 6.313 0.155 10.840 1.00 13.40 H new ATOM 0 HD22 LEU A 55 5.891 1.130 12.268 1.00 13.40 H new ATOM 0 HD23 LEU A 55 6.555 1.918 10.817 1.00 13.40 H new ATOM 802 N GLN A 56 8.751 1.333 15.837 1.00 21.22 N ATOM 803 CA GLN A 56 9.563 1.306 17.048 1.00 34.33 C ATOM 804 C GLN A 56 10.519 0.117 17.036 1.00 15.35 C ATOM 805 O GLN A 56 10.224 -0.925 16.451 1.00 52.45 O ATOM 806 CB GLN A 56 8.667 1.242 18.287 1.00 52.45 C ATOM 807 CG GLN A 56 8.082 2.588 18.684 1.00 52.24 C ATOM 808 CD GLN A 56 9.141 3.575 19.132 1.00 1.52 C ATOM 809 OE1 GLN A 56 9.229 4.688 18.612 1.00 11.34 O ATOM 810 NE2 GLN A 56 9.953 3.173 20.103 1.00 70.22 N ATOM 0 H GLN A 56 8.520 0.413 15.463 1.00 21.22 H new ATOM 0 HA GLN A 56 10.152 2.223 17.081 1.00 34.33 H new ATOM 0 HB2 GLN A 56 7.853 0.542 18.101 1.00 52.45 H new ATOM 0 HB3 GLN A 56 9.244 0.845 19.122 1.00 52.45 H new ATOM 0 HG2 GLN A 56 7.536 3.006 17.839 1.00 52.24 H new ATOM 0 HG3 GLN A 56 7.362 2.444 19.489 1.00 52.24 H new ATOM 0 HE21 GLN A 56 9.845 2.242 20.506 1.00 70.22 H new ATOM 0 HE22 GLN A 56 10.685 3.795 20.446 1.00 70.22 H new ATOM 819 N LYS A 57 11.665 0.281 17.687 1.00 25.51 N ATOM 820 CA LYS A 57 12.666 -0.778 17.753 1.00 33.30 C ATOM 821 C LYS A 57 13.255 -0.884 19.156 1.00 14.21 C ATOM 822 O LYS A 57 14.009 -0.014 19.589 1.00 43.43 O ATOM 823 CB LYS A 57 13.781 -0.518 16.738 1.00 24.23 C ATOM 824 CG LYS A 57 14.283 0.916 16.740 1.00 75.33 C ATOM 825 CD LYS A 57 15.294 1.154 15.631 1.00 23.33 C ATOM 826 CE LYS A 57 16.585 0.388 15.881 1.00 53.23 C ATOM 827 NZ LYS A 57 17.696 0.880 15.021 1.00 64.14 N ATOM 0 H LYS A 57 11.924 1.137 18.177 1.00 25.51 H new ATOM 0 HA LYS A 57 12.177 -1.722 17.512 1.00 33.30 H new ATOM 0 HB2 LYS A 57 14.616 -1.187 16.949 1.00 24.23 H new ATOM 0 HB3 LYS A 57 13.418 -0.766 15.741 1.00 24.23 H new ATOM 0 HG2 LYS A 57 13.441 1.597 16.618 1.00 75.33 H new ATOM 0 HG3 LYS A 57 14.739 1.142 17.704 1.00 75.33 H new ATOM 0 HD2 LYS A 57 14.867 0.848 14.676 1.00 23.33 H new ATOM 0 HD3 LYS A 57 15.510 2.220 15.557 1.00 23.33 H new ATOM 0 HE2 LYS A 57 16.867 0.484 16.929 1.00 53.23 H new ATOM 0 HE3 LYS A 57 16.421 -0.673 15.691 1.00 53.23 H new ATOM 0 HZ1 LYS A 57 18.558 0.333 15.221 1.00 64.14 H new ATOM 0 HZ2 LYS A 57 17.437 0.765 14.020 1.00 64.14 H new ATOM 0 HZ3 LYS A 57 17.870 1.886 15.220 1.00 64.14 H new ATOM 841 N GLU A 58 12.905 -1.956 19.861 1.00 44.33 N ATOM 842 CA GLU A 58 13.401 -2.174 21.215 1.00 50.24 C ATOM 843 C GLU A 58 14.907 -2.420 21.210 1.00 71.54 C ATOM 844 O GLU A 58 15.361 -3.550 21.029 1.00 51.25 O ATOM 845 CB GLU A 58 12.681 -3.360 21.860 1.00 10.53 C ATOM 846 CG GLU A 58 12.113 -3.051 23.235 1.00 21.35 C ATOM 847 CD GLU A 58 11.199 -1.842 23.231 1.00 15.13 C ATOM 848 OE1 GLU A 58 10.776 -1.421 22.135 1.00 55.15 O ATOM 849 OE2 GLU A 58 10.906 -1.317 24.326 1.00 53.40 O ATOM 0 H GLU A 58 12.281 -2.686 19.517 1.00 44.33 H new ATOM 0 HA GLU A 58 13.200 -1.275 21.798 1.00 50.24 H new ATOM 0 HB2 GLU A 58 11.871 -3.683 21.206 1.00 10.53 H new ATOM 0 HB3 GLU A 58 13.376 -4.195 21.942 1.00 10.53 H new ATOM 0 HG2 GLU A 58 11.561 -3.918 23.599 1.00 21.35 H new ATOM 0 HG3 GLU A 58 12.933 -2.879 23.932 1.00 21.35 H new ATOM 856 N ALA A 59 15.676 -1.355 21.409 1.00 13.03 N ATOM 857 CA ALA A 59 17.130 -1.455 21.429 1.00 33.14 C ATOM 858 C ALA A 59 17.652 -1.577 22.857 1.00 50.31 C ATOM 859 O ALA A 59 18.195 -0.623 23.413 1.00 61.21 O ATOM 860 CB ALA A 59 17.751 -0.250 20.739 1.00 63.22 C ATOM 0 H ALA A 59 15.316 -0.412 21.559 1.00 13.03 H new ATOM 0 HA ALA A 59 17.415 -2.357 20.887 1.00 33.14 H new ATOM 0 HB1 ALA A 59 18.837 -0.338 20.761 1.00 63.22 H new ATOM 0 HB2 ALA A 59 17.411 -0.208 19.704 1.00 63.22 H new ATOM 0 HB3 ALA A 59 17.450 0.661 21.257 1.00 63.22 H new ATOM 866 N GLY A 60 17.483 -2.757 23.446 1.00 51.14 N ATOM 867 CA GLY A 60 17.942 -2.981 24.804 1.00 41.20 C ATOM 868 C GLY A 60 18.180 -4.448 25.101 1.00 23.00 C ATOM 869 O GLY A 60 18.785 -5.162 24.300 1.00 53.00 O ATOM 0 H GLY A 60 17.036 -3.562 23.007 1.00 51.14 H new ATOM 0 HA2 GLY A 60 18.865 -2.426 24.968 1.00 41.20 H new ATOM 0 HA3 GLY A 60 17.204 -2.587 25.503 1.00 41.20 H new ATOM 873 N THR A 61 17.706 -4.901 26.257 1.00 13.14 N ATOM 874 CA THR A 61 17.873 -6.292 26.660 1.00 13.40 C ATOM 875 C THR A 61 17.220 -7.236 25.658 1.00 74.33 C ATOM 876 O THR A 61 17.877 -8.069 25.034 1.00 62.42 O ATOM 877 CB THR A 61 17.274 -6.548 28.056 1.00 74.23 C ATOM 878 OG1 THR A 61 18.249 -6.268 29.066 1.00 33.54 O ATOM 879 CG2 THR A 61 16.800 -7.988 28.185 1.00 25.21 C ATOM 0 H THR A 61 17.203 -4.324 26.931 1.00 13.14 H new ATOM 0 HA THR A 61 18.945 -6.486 26.692 1.00 13.40 H new ATOM 0 HB THR A 61 16.417 -5.887 28.187 1.00 74.23 H new ATOM 0 HG1 THR A 61 17.860 -6.431 29.950 1.00 33.54 H new ATOM 0 HG21 THR A 61 16.381 -8.145 29.179 1.00 25.21 H new ATOM 0 HG22 THR A 61 16.037 -8.188 27.433 1.00 25.21 H new ATOM 0 HG23 THR A 61 17.643 -8.663 28.035 1.00 25.21 H new ATOM 887 N PRO A 62 15.894 -7.106 25.497 1.00 44.20 N ATOM 888 CA PRO A 62 15.124 -7.939 24.570 1.00 75.33 C ATOM 889 C PRO A 62 15.431 -7.620 23.111 1.00 53.24 C ATOM 890 O PRO A 62 15.047 -6.575 22.585 1.00 52.22 O ATOM 891 CB PRO A 62 13.671 -7.587 24.900 1.00 71.12 C ATOM 892 CG PRO A 62 13.735 -6.215 25.476 1.00 45.32 C ATOM 893 CD PRO A 62 15.047 -6.134 26.208 1.00 75.03 C ATOM 0 HA PRO A 62 15.357 -8.998 24.684 1.00 75.33 H new ATOM 0 HB2 PRO A 62 13.045 -7.613 24.008 1.00 71.12 H new ATOM 0 HB3 PRO A 62 13.244 -8.295 25.610 1.00 71.12 H new ATOM 0 HG2 PRO A 62 13.678 -5.460 24.692 1.00 45.32 H new ATOM 0 HG3 PRO A 62 12.899 -6.036 26.152 1.00 45.32 H new ATOM 0 HD2 PRO A 62 15.468 -5.129 26.168 1.00 75.03 H new ATOM 0 HD3 PRO A 62 14.936 -6.392 27.261 1.00 75.03 H new ATOM 901 N PRO A 63 16.139 -8.540 22.439 1.00 2.41 N ATOM 902 CA PRO A 63 16.513 -8.378 21.031 1.00 74.13 C ATOM 903 C PRO A 63 15.311 -8.480 20.097 1.00 2.52 C ATOM 904 O PRO A 63 14.973 -9.563 19.619 1.00 63.20 O ATOM 905 CB PRO A 63 17.480 -9.538 20.785 1.00 62.40 C ATOM 906 CG PRO A 63 17.101 -10.568 21.793 1.00 5.44 C ATOM 907 CD PRO A 63 16.630 -9.808 23.003 1.00 72.53 C ATOM 0 HA PRO A 63 16.944 -7.396 20.834 1.00 74.13 H new ATOM 0 HB2 PRO A 63 17.385 -9.924 19.770 1.00 62.40 H new ATOM 0 HB3 PRO A 63 18.516 -9.223 20.911 1.00 62.40 H new ATOM 0 HG2 PRO A 63 16.315 -11.218 21.410 1.00 5.44 H new ATOM 0 HG3 PRO A 63 17.951 -11.205 22.038 1.00 5.44 H new ATOM 0 HD2 PRO A 63 15.842 -10.344 23.533 1.00 72.53 H new ATOM 0 HD3 PRO A 63 17.439 -9.645 23.715 1.00 72.53 H new ATOM 915 N LEU A 64 14.670 -7.345 19.841 1.00 54.10 N ATOM 916 CA LEU A 64 13.505 -7.306 18.963 1.00 10.13 C ATOM 917 C LEU A 64 13.020 -5.873 18.765 1.00 30.35 C ATOM 918 O LEU A 64 13.530 -4.943 19.390 1.00 30.21 O ATOM 919 CB LEU A 64 12.377 -8.163 19.541 1.00 64.00 C ATOM 920 CG LEU A 64 11.470 -7.478 20.564 1.00 62.13 C ATOM 921 CD1 LEU A 64 10.472 -8.470 21.141 1.00 40.14 C ATOM 922 CD2 LEU A 64 12.299 -6.846 21.673 1.00 74.13 C ATOM 0 H LEU A 64 14.937 -6.440 20.228 1.00 54.10 H new ATOM 0 HA LEU A 64 13.798 -7.708 17.993 1.00 10.13 H new ATOM 0 HB2 LEU A 64 11.758 -8.518 18.717 1.00 64.00 H new ATOM 0 HB3 LEU A 64 12.819 -9.043 20.009 1.00 64.00 H new ATOM 0 HG LEU A 64 10.915 -6.688 20.058 1.00 62.13 H new ATOM 0 HD11 LEU A 64 9.835 -7.965 21.867 1.00 40.14 H new ATOM 0 HD12 LEU A 64 9.856 -8.875 20.338 1.00 40.14 H new ATOM 0 HD13 LEU A 64 11.008 -9.282 21.632 1.00 40.14 H new ATOM 0 HD21 LEU A 64 11.637 -6.363 22.392 1.00 74.13 H new ATOM 0 HD22 LEU A 64 12.881 -7.618 22.177 1.00 74.13 H new ATOM 0 HD23 LEU A 64 12.973 -6.104 21.245 1.00 74.13 H new ATOM 934 N TRP A 65 12.031 -5.704 17.895 1.00 65.11 N ATOM 935 CA TRP A 65 11.476 -4.385 17.617 1.00 52.53 C ATOM 936 C TRP A 65 10.148 -4.189 18.341 1.00 63.24 C ATOM 937 O TRP A 65 9.711 -5.054 19.100 1.00 13.44 O ATOM 938 CB TRP A 65 11.282 -4.197 16.111 1.00 23.11 C ATOM 939 CG TRP A 65 12.420 -4.731 15.295 1.00 44.11 C ATOM 940 CD1 TRP A 65 12.333 -5.533 14.193 1.00 43.00 C ATOM 941 CD2 TRP A 65 13.816 -4.502 15.518 1.00 60.22 C ATOM 942 NE1 TRP A 65 13.591 -5.817 13.717 1.00 12.44 N ATOM 943 CE2 TRP A 65 14.518 -5.195 14.512 1.00 74.40 C ATOM 944 CE3 TRP A 65 14.541 -3.778 16.467 1.00 3.34 C ATOM 945 CZ2 TRP A 65 15.908 -5.185 14.432 1.00 14.12 C ATOM 946 CZ3 TRP A 65 15.921 -3.768 16.387 1.00 32.51 C ATOM 947 CH2 TRP A 65 16.592 -4.467 15.375 1.00 23.52 C ATOM 0 H TRP A 65 11.597 -6.464 17.370 1.00 65.11 H new ATOM 0 HA TRP A 65 12.181 -3.638 17.982 1.00 52.53 H new ATOM 0 HB2 TRP A 65 10.361 -4.693 15.806 1.00 23.11 H new ATOM 0 HB3 TRP A 65 11.158 -3.135 15.898 1.00 23.11 H new ATOM 0 HD1 TRP A 65 11.411 -5.891 13.759 1.00 43.00 H new ATOM 0 HE1 TRP A 65 13.800 -6.397 12.904 1.00 12.44 H new ATOM 0 HE3 TRP A 65 14.032 -3.235 17.250 1.00 3.34 H new ATOM 0 HZ2 TRP A 65 16.428 -5.724 13.654 1.00 14.12 H new ATOM 0 HZ3 TRP A 65 16.491 -3.212 17.117 1.00 32.51 H new ATOM 0 HH2 TRP A 65 17.671 -4.439 15.338 1.00 23.52 H new ATOM 958 N LYS A 66 9.511 -3.049 18.101 1.00 54.54 N ATOM 959 CA LYS A 66 8.231 -2.740 18.728 1.00 3.24 C ATOM 960 C LYS A 66 7.327 -1.971 17.770 1.00 34.45 C ATOM 961 O LYS A 66 7.763 -1.538 16.704 1.00 54.33 O ATOM 962 CB LYS A 66 8.450 -1.925 20.005 1.00 51.51 C ATOM 963 CG LYS A 66 7.350 -2.103 21.037 1.00 75.15 C ATOM 964 CD LYS A 66 7.840 -1.776 22.437 1.00 31.31 C ATOM 965 CE LYS A 66 8.145 -0.294 22.589 1.00 21.12 C ATOM 966 NZ LYS A 66 6.953 0.474 23.044 1.00 21.10 N ATOM 0 H LYS A 66 9.860 -2.322 17.476 1.00 54.54 H new ATOM 0 HA LYS A 66 7.743 -3.681 18.983 1.00 3.24 H new ATOM 0 HB2 LYS A 66 9.403 -2.211 20.449 1.00 51.51 H new ATOM 0 HB3 LYS A 66 8.524 -0.869 19.744 1.00 51.51 H new ATOM 0 HG2 LYS A 66 6.507 -1.459 20.786 1.00 75.15 H new ATOM 0 HG3 LYS A 66 6.986 -3.130 21.009 1.00 75.15 H new ATOM 0 HD2 LYS A 66 7.085 -2.070 23.166 1.00 31.31 H new ATOM 0 HD3 LYS A 66 8.736 -2.357 22.655 1.00 31.31 H new ATOM 0 HE2 LYS A 66 8.957 -0.162 23.304 1.00 21.12 H new ATOM 0 HE3 LYS A 66 8.492 0.105 21.636 1.00 21.12 H new ATOM 0 HZ1 LYS A 66 7.202 1.480 23.135 1.00 21.10 H new ATOM 0 HZ2 LYS A 66 6.186 0.369 22.349 1.00 21.10 H new ATOM 0 HZ3 LYS A 66 6.637 0.111 23.966 1.00 21.10 H new ATOM 980 N ILE A 67 6.067 -1.805 18.159 1.00 73.54 N ATOM 981 CA ILE A 67 5.102 -1.087 17.335 1.00 44.10 C ATOM 982 C ILE A 67 4.637 0.192 18.023 1.00 40.03 C ATOM 983 O ILE A 67 4.402 0.209 19.230 1.00 14.05 O ATOM 984 CB ILE A 67 3.875 -1.960 17.014 1.00 12.14 C ATOM 985 CG1 ILE A 67 3.306 -2.569 18.297 1.00 32.04 C ATOM 986 CG2 ILE A 67 4.246 -3.052 16.022 1.00 21.14 C ATOM 987 CD1 ILE A 67 3.927 -3.899 18.662 1.00 70.20 C ATOM 0 H ILE A 67 5.691 -2.158 19.039 1.00 73.54 H new ATOM 0 HA ILE A 67 5.609 -0.833 16.404 1.00 44.10 H new ATOM 0 HB ILE A 67 3.108 -1.331 16.561 1.00 12.14 H new ATOM 0 HG12 ILE A 67 3.456 -1.869 19.119 1.00 32.04 H new ATOM 0 HG13 ILE A 67 2.230 -2.699 18.182 1.00 32.04 H new ATOM 0 HG21 ILE A 67 3.368 -3.660 15.805 1.00 21.14 H new ATOM 0 HG22 ILE A 67 4.609 -2.598 15.100 1.00 21.14 H new ATOM 0 HG23 ILE A 67 5.027 -3.681 16.449 1.00 21.14 H new ATOM 0 HD11 ILE A 67 3.476 -4.271 19.582 1.00 70.20 H new ATOM 0 HD12 ILE A 67 3.754 -4.614 17.858 1.00 70.20 H new ATOM 0 HD13 ILE A 67 4.999 -3.771 18.810 1.00 70.20 H new ATOM 999 N ALA A 68 4.505 1.261 17.245 1.00 51.34 N ATOM 1000 CA ALA A 68 4.064 2.544 17.778 1.00 53.22 C ATOM 1001 C ALA A 68 2.680 2.911 17.251 1.00 22.14 C ATOM 1002 O ALA A 68 2.070 2.150 16.499 1.00 44.44 O ATOM 1003 CB ALA A 68 5.068 3.633 17.431 1.00 1.33 C ATOM 0 H ALA A 68 4.697 1.264 16.243 1.00 51.34 H new ATOM 0 HA ALA A 68 4.000 2.456 18.863 1.00 53.22 H new ATOM 0 HB1 ALA A 68 4.726 4.586 17.835 1.00 1.33 H new ATOM 0 HB2 ALA A 68 6.038 3.384 17.861 1.00 1.33 H new ATOM 0 HB3 ALA A 68 5.160 3.711 16.348 1.00 1.33 H new