USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=13 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 X(o=0,f=0) USER MOD Single : A 9 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.03) USER MOD Single : A 11 GLN : amide:sc= -0.043 K(o=-0.043,f=-1.3) USER MOD Single : A 15 LYS NZ :NH3+ 164:sc=-0.00486 (180deg=-0.117) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -176:sc= 0.412 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 32 SER OG : rot 180:sc= 0.101 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 70:sc= -3.82! USER MOD Single : A 39 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.146) 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+ 154:sc= -0.121 (180deg=-0.637) USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= -0.585 (180deg=-0.95) USER MOD Single : A 56 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.33) USER MOD Single : A 57 LYS NZ :NH3+ 166:sc=-0.00245 (180deg=-0.0756) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 178:sc= 0.1 (180deg=0.0986) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 6 1.109 0.252 0.339 1.00 72.44 N ATOM 2 CA TYR A 6 1.905 0.360 -0.878 1.00 23.20 C ATOM 3 C TYR A 6 1.840 -0.931 -1.689 1.00 21.05 C ATOM 4 O TYR A 6 1.210 -1.904 -1.275 1.00 60.15 O ATOM 5 CB TYR A 6 3.359 0.686 -0.533 1.00 65.22 C ATOM 6 CG TYR A 6 3.506 1.761 0.520 1.00 72.30 C ATOM 7 CD1 TYR A 6 3.035 3.049 0.296 1.00 63.22 C ATOM 8 CD2 TYR A 6 4.115 1.489 1.739 1.00 62.14 C ATOM 9 CE1 TYR A 6 3.167 4.035 1.255 1.00 63.53 C ATOM 10 CE2 TYR A 6 4.250 2.468 2.704 1.00 62.22 C ATOM 11 CZ TYR A 6 3.775 3.739 2.457 1.00 31.02 C ATOM 12 OH TYR A 6 3.909 4.717 3.416 1.00 52.34 O ATOM 0 HA TYR A 6 1.491 1.168 -1.482 1.00 23.20 H new ATOM 0 HB2 TYR A 6 3.853 -0.221 -0.185 1.00 65.22 H new ATOM 0 HB3 TYR A 6 3.876 1.003 -1.439 1.00 65.22 H new ATOM 0 HD1 TYR A 6 2.558 3.283 -0.644 1.00 63.22 H new ATOM 0 HD2 TYR A 6 4.489 0.495 1.935 1.00 62.14 H new ATOM 0 HE1 TYR A 6 2.796 5.031 1.064 1.00 63.53 H new ATOM 0 HE2 TYR A 6 4.725 2.239 3.647 1.00 62.22 H new ATOM 0 HH TYR A 6 4.358 4.344 4.203 1.00 52.34 H new ATOM 22 N GLN A 7 2.497 -0.930 -2.844 1.00 73.21 N ATOM 23 CA GLN A 7 2.514 -2.101 -3.713 1.00 53.33 C ATOM 24 C GLN A 7 2.764 -3.372 -2.909 1.00 63.23 C ATOM 25 O GLN A 7 2.899 -3.329 -1.686 1.00 53.43 O ATOM 26 CB GLN A 7 3.587 -1.946 -4.792 1.00 50.52 C ATOM 27 CG GLN A 7 3.051 -2.083 -6.208 1.00 13.40 C ATOM 28 CD GLN A 7 3.646 -1.063 -7.159 1.00 11.22 C ATOM 29 OE1 GLN A 7 3.075 0.006 -7.378 1.00 70.10 O ATOM 30 NE2 GLN A 7 4.800 -1.388 -7.729 1.00 50.05 N ATOM 0 H GLN A 7 3.024 -0.132 -3.200 1.00 73.21 H new ATOM 0 HA GLN A 7 1.538 -2.182 -4.191 1.00 53.33 H new ATOM 0 HB2 GLN A 7 4.060 -0.970 -4.684 1.00 50.52 H new ATOM 0 HB3 GLN A 7 4.362 -2.695 -4.632 1.00 50.52 H new ATOM 0 HG2 GLN A 7 3.264 -3.086 -6.577 1.00 13.40 H new ATOM 0 HG3 GLN A 7 1.967 -1.972 -6.194 1.00 13.40 H new ATOM 0 HE21 GLN A 7 5.238 -2.285 -7.519 1.00 50.05 H new ATOM 0 HE22 GLN A 7 5.249 -0.741 -8.377 1.00 50.05 H new ATOM 39 N ASP A 8 2.826 -4.503 -3.604 1.00 14.11 N ATOM 40 CA ASP A 8 3.061 -5.787 -2.955 1.00 32.34 C ATOM 41 C ASP A 8 3.974 -5.625 -1.743 1.00 52.23 C ATOM 42 O ASP A 8 3.792 -6.291 -0.724 1.00 42.53 O ATOM 43 CB ASP A 8 3.677 -6.778 -3.944 1.00 12.21 C ATOM 44 CG ASP A 8 2.894 -6.864 -5.239 1.00 63.55 C ATOM 45 OD1 ASP A 8 1.651 -6.963 -5.176 1.00 2.42 O ATOM 46 OD2 ASP A 8 3.525 -6.835 -6.317 1.00 60.02 O ATOM 0 H ASP A 8 2.717 -4.556 -4.617 1.00 14.11 H new ATOM 0 HA ASP A 8 2.101 -6.175 -2.615 1.00 32.34 H new ATOM 0 HB2 ASP A 8 4.703 -6.480 -4.162 1.00 12.21 H new ATOM 0 HB3 ASP A 8 3.723 -7.765 -3.484 1.00 12.21 H new ATOM 51 N GLN A 9 4.955 -4.737 -1.863 1.00 43.34 N ATOM 52 CA GLN A 9 5.897 -4.489 -0.779 1.00 5.35 C ATOM 53 C GLN A 9 5.170 -4.363 0.556 1.00 1.01 C ATOM 54 O GLN A 9 5.562 -4.978 1.547 1.00 3.21 O ATOM 55 CB GLN A 9 6.704 -3.219 -1.055 1.00 54.52 C ATOM 56 CG GLN A 9 8.200 -3.460 -1.168 1.00 22.15 C ATOM 57 CD GLN A 9 8.678 -3.505 -2.606 1.00 11.54 C ATOM 58 OE1 GLN A 9 9.305 -4.474 -3.034 1.00 53.01 O ATOM 59 NE2 GLN A 9 8.383 -2.452 -3.360 1.00 65.32 N ATOM 0 H GLN A 9 5.118 -4.177 -2.700 1.00 43.34 H new ATOM 0 HA GLN A 9 6.578 -5.338 -0.723 1.00 5.35 H new ATOM 0 HB2 GLN A 9 6.347 -2.766 -1.980 1.00 54.52 H new ATOM 0 HB3 GLN A 9 6.520 -2.501 -0.256 1.00 54.52 H new ATOM 0 HG2 GLN A 9 8.732 -2.671 -0.637 1.00 22.15 H new ATOM 0 HG3 GLN A 9 8.451 -4.400 -0.676 1.00 22.15 H new ATOM 0 HE21 GLN A 9 7.861 -1.671 -2.963 1.00 65.32 H new ATOM 0 HE22 GLN A 9 8.678 -2.425 -4.336 1.00 65.32 H new ATOM 68 N GLU A 10 4.109 -3.562 0.573 1.00 3.02 N ATOM 69 CA GLU A 10 3.328 -3.355 1.787 1.00 25.42 C ATOM 70 C GLU A 10 2.422 -4.552 2.061 1.00 15.30 C ATOM 71 O GLU A 10 2.214 -4.935 3.212 1.00 40.21 O ATOM 72 CB GLU A 10 2.489 -2.081 1.670 1.00 61.43 C ATOM 73 CG GLU A 10 1.823 -1.669 2.972 1.00 60.23 C ATOM 74 CD GLU A 10 0.384 -1.231 2.778 1.00 45.43 C ATOM 75 OE1 GLU A 10 -0.340 -1.894 2.007 1.00 30.43 O ATOM 76 OE2 GLU A 10 -0.017 -0.223 3.397 1.00 5.02 O ATOM 0 H GLU A 10 3.771 -3.046 -0.239 1.00 3.02 H new ATOM 0 HA GLU A 10 4.022 -3.248 2.621 1.00 25.42 H new ATOM 0 HB2 GLU A 10 3.126 -1.267 1.324 1.00 61.43 H new ATOM 0 HB3 GLU A 10 1.722 -2.230 0.910 1.00 61.43 H new ATOM 0 HG2 GLU A 10 1.853 -2.504 3.672 1.00 60.23 H new ATOM 0 HG3 GLU A 10 2.389 -0.854 3.423 1.00 60.23 H new ATOM 83 N GLN A 11 1.884 -5.136 0.995 1.00 44.22 N ATOM 84 CA GLN A 11 0.999 -6.287 1.120 1.00 32.32 C ATOM 85 C GLN A 11 1.723 -7.464 1.766 1.00 5.41 C ATOM 86 O GLN A 11 1.112 -8.276 2.460 1.00 24.31 O ATOM 87 CB GLN A 11 0.461 -6.696 -0.252 1.00 41.34 C ATOM 88 CG GLN A 11 -0.145 -5.543 -1.036 1.00 44.42 C ATOM 89 CD GLN A 11 -1.158 -6.005 -2.065 1.00 2.42 C ATOM 90 OE1 GLN A 11 -1.317 -7.202 -2.302 1.00 62.40 O ATOM 91 NE2 GLN A 11 -1.850 -5.055 -2.682 1.00 53.43 N ATOM 0 H GLN A 11 2.046 -4.831 0.035 1.00 44.22 H new ATOM 0 HA GLN A 11 0.164 -6.002 1.760 1.00 32.32 H new ATOM 0 HB2 GLN A 11 1.271 -7.135 -0.835 1.00 41.34 H new ATOM 0 HB3 GLN A 11 -0.294 -7.472 -0.121 1.00 41.34 H new ATOM 0 HG2 GLN A 11 -0.625 -4.851 -0.344 1.00 44.42 H new ATOM 0 HG3 GLN A 11 0.651 -4.992 -1.537 1.00 44.42 H new ATOM 0 HE21 GLN A 11 -1.685 -4.075 -2.454 1.00 53.43 H new ATOM 0 HE22 GLN A 11 -2.546 -5.306 -3.384 1.00 53.43 H new ATOM 100 N ARG A 12 3.029 -7.548 1.533 1.00 61.23 N ATOM 101 CA ARG A 12 3.837 -8.626 2.091 1.00 74.24 C ATOM 102 C ARG A 12 4.117 -8.386 3.571 1.00 14.52 C ATOM 103 O ARG A 12 3.724 -9.182 4.424 1.00 2.14 O ATOM 104 CB ARG A 12 5.155 -8.753 1.325 1.00 2.13 C ATOM 105 CG ARG A 12 5.017 -9.460 -0.013 1.00 50.32 C ATOM 106 CD ARG A 12 6.241 -9.239 -0.889 1.00 14.03 C ATOM 107 NE ARG A 12 6.056 -9.778 -2.233 1.00 51.24 N ATOM 108 CZ ARG A 12 6.803 -9.427 -3.275 1.00 34.24 C ATOM 109 NH1 ARG A 12 7.779 -8.543 -3.126 1.00 64.04 N ATOM 110 NH2 ARG A 12 6.573 -9.962 -4.467 1.00 41.22 N ATOM 0 H ARG A 12 3.550 -6.883 0.962 1.00 61.23 H new ATOM 0 HA ARG A 12 3.276 -9.555 1.992 1.00 74.24 H new ATOM 0 HB2 ARG A 12 5.566 -7.757 1.159 1.00 2.13 H new ATOM 0 HB3 ARG A 12 5.872 -9.296 1.941 1.00 2.13 H new ATOM 0 HG2 ARG A 12 4.874 -10.528 0.152 1.00 50.32 H new ATOM 0 HG3 ARG A 12 4.129 -9.095 -0.529 1.00 50.32 H new ATOM 0 HD2 ARG A 12 6.454 -8.172 -0.952 1.00 14.03 H new ATOM 0 HD3 ARG A 12 7.108 -9.710 -0.426 1.00 14.03 H new ATOM 0 HE ARG A 12 5.313 -10.461 -2.381 1.00 51.24 H new ATOM 0 HH11 ARG A 12 7.958 -8.131 -2.210 1.00 64.04 H new ATOM 0 HH12 ARG A 12 8.351 -8.275 -3.927 1.00 64.04 H new ATOM 0 HH21 ARG A 12 5.823 -10.643 -4.584 1.00 41.22 H new ATOM 0 HH22 ARG A 12 7.146 -9.692 -5.266 1.00 41.22 H new ATOM 124 N ILE A 13 4.797 -7.284 3.868 1.00 43.43 N ATOM 125 CA ILE A 13 5.129 -6.938 5.245 1.00 71.55 C ATOM 126 C ILE A 13 3.882 -6.921 6.122 1.00 22.45 C ATOM 127 O ILE A 13 3.928 -7.306 7.292 1.00 54.41 O ATOM 128 CB ILE A 13 5.822 -5.566 5.329 1.00 12.35 C ATOM 129 CG1 ILE A 13 4.942 -4.486 4.695 1.00 25.13 C ATOM 130 CG2 ILE A 13 7.182 -5.616 4.649 1.00 12.14 C ATOM 131 CD1 ILE A 13 5.585 -3.117 4.678 1.00 41.25 C ATOM 0 H ILE A 13 5.129 -6.615 3.173 1.00 43.43 H new ATOM 0 HA ILE A 13 5.815 -7.704 5.607 1.00 71.55 H new ATOM 0 HB ILE A 13 5.972 -5.315 6.379 1.00 12.35 H new ATOM 0 HG12 ILE A 13 4.701 -4.778 3.673 1.00 25.13 H new ATOM 0 HG13 ILE A 13 4.000 -4.430 5.241 1.00 25.13 H new ATOM 0 HG21 ILE A 13 7.659 -4.638 4.717 1.00 12.14 H new ATOM 0 HG22 ILE A 13 7.808 -6.360 5.141 1.00 12.14 H new ATOM 0 HG23 ILE A 13 7.055 -5.885 3.601 1.00 12.14 H new ATOM 0 HD11 ILE A 13 4.905 -2.402 4.215 1.00 41.25 H new ATOM 0 HD12 ILE A 13 5.801 -2.804 5.699 1.00 41.25 H new ATOM 0 HD13 ILE A 13 6.513 -3.158 4.107 1.00 41.25 H new ATOM 143 N LEU A 14 2.769 -6.475 5.551 1.00 61.20 N ATOM 144 CA LEU A 14 1.508 -6.410 6.281 1.00 54.43 C ATOM 145 C LEU A 14 1.012 -7.807 6.638 1.00 20.12 C ATOM 146 O LEU A 14 0.611 -8.064 7.773 1.00 33.24 O ATOM 147 CB LEU A 14 0.452 -5.679 5.449 1.00 0.10 C ATOM 148 CG LEU A 14 0.511 -4.151 5.482 1.00 33.31 C ATOM 149 CD1 LEU A 14 -0.564 -3.556 4.586 1.00 72.32 C ATOM 150 CD2 LEU A 14 0.360 -3.643 6.908 1.00 3.53 C ATOM 0 H LEU A 14 2.714 -6.153 4.585 1.00 61.20 H new ATOM 0 HA LEU A 14 1.680 -5.859 7.205 1.00 54.43 H new ATOM 0 HB2 LEU A 14 0.546 -6.004 4.413 1.00 0.10 H new ATOM 0 HB3 LEU A 14 -0.534 -5.992 5.793 1.00 0.10 H new ATOM 0 HG LEU A 14 1.484 -3.836 5.106 1.00 33.31 H new ATOM 0 HD11 LEU A 14 -0.507 -2.468 4.622 1.00 72.32 H new ATOM 0 HD12 LEU A 14 -0.411 -3.894 3.561 1.00 72.32 H new ATOM 0 HD13 LEU A 14 -1.546 -3.879 4.932 1.00 72.32 H new ATOM 0 HD21 LEU A 14 0.404 -2.554 6.913 1.00 3.53 H new ATOM 0 HD22 LEU A 14 -0.599 -3.969 7.311 1.00 3.53 H new ATOM 0 HD23 LEU A 14 1.166 -4.042 7.524 1.00 3.53 H new ATOM 162 N LYS A 15 1.044 -8.708 5.662 1.00 25.33 N ATOM 163 CA LYS A 15 0.602 -10.082 5.873 1.00 3.43 C ATOM 164 C LYS A 15 1.553 -10.822 6.809 1.00 13.51 C ATOM 165 O LYS A 15 1.176 -11.812 7.437 1.00 42.43 O ATOM 166 CB LYS A 15 0.508 -10.820 4.536 1.00 25.02 C ATOM 167 CG LYS A 15 -0.338 -12.080 4.595 1.00 14.41 C ATOM 168 CD LYS A 15 -1.822 -11.753 4.642 1.00 45.35 C ATOM 169 CE LYS A 15 -2.394 -11.559 3.246 1.00 45.35 C ATOM 170 NZ LYS A 15 -2.527 -12.850 2.516 1.00 23.33 N ATOM 0 H LYS A 15 1.372 -8.511 4.716 1.00 25.33 H new ATOM 0 HA LYS A 15 -0.385 -10.053 6.335 1.00 3.43 H new ATOM 0 HB2 LYS A 15 0.090 -10.147 3.787 1.00 25.02 H new ATOM 0 HB3 LYS A 15 1.513 -11.082 4.204 1.00 25.02 H new ATOM 0 HG2 LYS A 15 -0.129 -12.701 3.724 1.00 14.41 H new ATOM 0 HG3 LYS A 15 -0.065 -12.662 5.475 1.00 14.41 H new ATOM 0 HD2 LYS A 15 -2.357 -12.557 5.147 1.00 45.35 H new ATOM 0 HD3 LYS A 15 -1.978 -10.848 5.229 1.00 45.35 H new ATOM 0 HE2 LYS A 15 -3.370 -11.080 3.317 1.00 45.35 H new ATOM 0 HE3 LYS A 15 -1.750 -10.887 2.680 1.00 45.35 H new ATOM 0 HZ1 LYS A 15 -3.156 -12.723 1.698 1.00 23.33 H new ATOM 0 HZ2 LYS A 15 -1.591 -13.161 2.188 1.00 23.33 H new ATOM 0 HZ3 LYS A 15 -2.927 -13.569 3.152 1.00 23.33 H new ATOM 184 N PHE A 16 2.786 -10.334 6.899 1.00 32.22 N ATOM 185 CA PHE A 16 3.790 -10.949 7.759 1.00 30.42 C ATOM 186 C PHE A 16 3.422 -10.783 9.231 1.00 54.24 C ATOM 187 O PHE A 16 3.267 -11.764 9.959 1.00 65.21 O ATOM 188 CB PHE A 16 5.166 -10.334 7.493 1.00 34.44 C ATOM 189 CG PHE A 16 6.217 -10.772 8.473 1.00 41.23 C ATOM 190 CD1 PHE A 16 6.497 -12.117 8.654 1.00 11.44 C ATOM 191 CD2 PHE A 16 6.925 -9.838 9.212 1.00 64.11 C ATOM 192 CE1 PHE A 16 7.464 -12.523 9.554 1.00 2.45 C ATOM 193 CE2 PHE A 16 7.894 -10.238 10.113 1.00 60.10 C ATOM 194 CZ PHE A 16 8.163 -11.582 10.285 1.00 11.14 C ATOM 0 H PHE A 16 3.114 -9.515 6.387 1.00 32.22 H new ATOM 0 HA PHE A 16 3.825 -12.014 7.530 1.00 30.42 H new ATOM 0 HB2 PHE A 16 5.486 -10.601 6.486 1.00 34.44 H new ATOM 0 HB3 PHE A 16 5.082 -9.248 7.524 1.00 34.44 H new ATOM 0 HD1 PHE A 16 5.953 -12.857 8.085 1.00 11.44 H new ATOM 0 HD2 PHE A 16 6.718 -8.786 9.083 1.00 64.11 H new ATOM 0 HE1 PHE A 16 7.673 -13.574 9.686 1.00 2.45 H new ATOM 0 HE2 PHE A 16 8.440 -9.500 10.682 1.00 60.10 H new ATOM 0 HZ PHE A 16 8.918 -11.897 10.990 1.00 11.14 H new ATOM 204 N LEU A 17 3.283 -9.534 9.662 1.00 54.14 N ATOM 205 CA LEU A 17 2.933 -9.237 11.046 1.00 12.13 C ATOM 206 C LEU A 17 1.591 -9.861 11.415 1.00 31.50 C ATOM 207 O LEU A 17 1.402 -10.331 12.536 1.00 31.25 O ATOM 208 CB LEU A 17 2.882 -7.724 11.267 1.00 71.11 C ATOM 209 CG LEU A 17 1.719 -6.988 10.602 1.00 55.41 C ATOM 210 CD1 LEU A 17 0.733 -6.492 11.648 1.00 14.24 C ATOM 211 CD2 LEU A 17 2.232 -5.829 9.760 1.00 64.25 C ATOM 0 H LEU A 17 3.407 -8.711 9.073 1.00 54.14 H new ATOM 0 HA LEU A 17 3.702 -9.666 11.689 1.00 12.13 H new ATOM 0 HB2 LEU A 17 2.840 -7.535 12.340 1.00 71.11 H new ATOM 0 HB3 LEU A 17 3.815 -7.292 10.904 1.00 71.11 H new ATOM 0 HG LEU A 17 1.201 -7.687 9.945 1.00 55.41 H new ATOM 0 HD11 LEU A 17 -0.088 -5.971 11.156 1.00 14.24 H new ATOM 0 HD12 LEU A 17 0.340 -7.340 12.209 1.00 14.24 H new ATOM 0 HD13 LEU A 17 1.239 -5.809 12.330 1.00 14.24 H new ATOM 0 HD21 LEU A 17 1.390 -5.317 9.294 1.00 64.25 H new ATOM 0 HD22 LEU A 17 2.775 -5.130 10.396 1.00 64.25 H new ATOM 0 HD23 LEU A 17 2.899 -6.209 8.986 1.00 64.25 H new ATOM 223 N GLU A 18 0.664 -9.864 10.462 1.00 34.54 N ATOM 224 CA GLU A 18 -0.660 -10.433 10.688 1.00 71.03 C ATOM 225 C GLU A 18 -0.609 -11.958 10.660 1.00 52.11 C ATOM 226 O GLU A 18 -1.526 -12.628 11.134 1.00 2.13 O ATOM 227 CB GLU A 18 -1.644 -9.925 9.632 1.00 71.34 C ATOM 228 CG GLU A 18 -2.062 -8.479 9.835 1.00 51.33 C ATOM 229 CD GLU A 18 -3.402 -8.164 9.199 1.00 35.03 C ATOM 230 OE1 GLU A 18 -3.994 -9.073 8.580 1.00 11.31 O ATOM 231 OE2 GLU A 18 -3.860 -7.008 9.322 1.00 63.31 O ATOM 0 H GLU A 18 0.805 -9.480 9.528 1.00 34.54 H new ATOM 0 HA GLU A 18 -1.000 -10.116 11.674 1.00 71.03 H new ATOM 0 HB2 GLU A 18 -1.191 -10.028 8.646 1.00 71.34 H new ATOM 0 HB3 GLU A 18 -2.533 -10.556 9.642 1.00 71.34 H new ATOM 0 HG2 GLU A 18 -2.112 -8.266 10.903 1.00 51.33 H new ATOM 0 HG3 GLU A 18 -1.301 -7.822 9.414 1.00 51.33 H new ATOM 238 N GLU A 19 0.469 -12.498 10.100 1.00 32.11 N ATOM 239 CA GLU A 19 0.638 -13.944 10.009 1.00 4.51 C ATOM 240 C GLU A 19 1.183 -14.511 11.317 1.00 41.22 C ATOM 241 O GLU A 19 1.109 -15.715 11.563 1.00 71.51 O ATOM 242 CB GLU A 19 1.580 -14.297 8.856 1.00 75.33 C ATOM 243 CG GLU A 19 1.965 -15.766 8.814 1.00 63.43 C ATOM 244 CD GLU A 19 2.592 -16.167 7.492 1.00 23.35 C ATOM 245 OE1 GLU A 19 1.839 -16.376 6.518 1.00 22.54 O ATOM 246 OE2 GLU A 19 3.835 -16.272 7.432 1.00 21.25 O ATOM 0 H GLU A 19 1.237 -11.957 9.703 1.00 32.11 H new ATOM 0 HA GLU A 19 -0.339 -14.388 9.820 1.00 4.51 H new ATOM 0 HB2 GLU A 19 1.104 -14.028 7.913 1.00 75.33 H new ATOM 0 HB3 GLU A 19 2.485 -13.695 8.940 1.00 75.33 H new ATOM 0 HG2 GLU A 19 2.664 -15.978 9.623 1.00 63.43 H new ATOM 0 HG3 GLU A 19 1.079 -16.375 8.991 1.00 63.43 H new ATOM 253 N LEU A 20 1.731 -13.635 12.152 1.00 51.11 N ATOM 254 CA LEU A 20 2.289 -14.047 13.435 1.00 23.10 C ATOM 255 C LEU A 20 1.438 -13.531 14.590 1.00 0.55 C ATOM 256 O LEU A 20 1.318 -14.183 15.627 1.00 43.42 O ATOM 257 CB LEU A 20 3.725 -13.537 13.576 1.00 34.43 C ATOM 258 CG LEU A 20 3.879 -12.076 13.999 1.00 43.14 C ATOM 259 CD1 LEU A 20 3.944 -11.962 15.514 1.00 62.13 C ATOM 260 CD2 LEU A 20 5.120 -11.465 13.362 1.00 34.45 C ATOM 0 H LEU A 20 1.801 -12.635 11.963 1.00 51.11 H new ATOM 0 HA LEU A 20 2.292 -15.136 13.469 1.00 23.10 H new ATOM 0 HB2 LEU A 20 4.241 -14.162 14.305 1.00 34.43 H new ATOM 0 HB3 LEU A 20 4.233 -13.674 12.622 1.00 34.43 H new ATOM 0 HG LEU A 20 3.006 -11.523 13.652 1.00 43.14 H new ATOM 0 HD11 LEU A 20 4.054 -10.915 15.796 1.00 62.13 H new ATOM 0 HD12 LEU A 20 3.027 -12.361 15.949 1.00 62.13 H new ATOM 0 HD13 LEU A 20 4.798 -12.529 15.885 1.00 62.13 H new ATOM 0 HD21 LEU A 20 5.214 -10.425 13.674 1.00 34.45 H new ATOM 0 HD22 LEU A 20 6.003 -12.020 13.679 1.00 34.45 H new ATOM 0 HD23 LEU A 20 5.032 -11.512 12.277 1.00 34.45 H new ATOM 272 N GLY A 21 0.846 -12.355 14.403 1.00 2.45 N ATOM 273 CA GLY A 21 0.012 -11.771 15.438 1.00 74.34 C ATOM 274 C GLY A 21 -0.210 -10.286 15.234 1.00 11.43 C ATOM 275 O GLY A 21 0.734 -9.498 15.287 1.00 31.35 O ATOM 0 H GLY A 21 0.929 -11.796 13.554 1.00 2.45 H new ATOM 0 HA2 GLY A 21 -0.952 -12.280 15.454 1.00 74.34 H new ATOM 0 HA3 GLY A 21 0.476 -11.936 16.410 1.00 74.34 H new ATOM 279 N GLU A 22 -1.461 -9.902 14.999 1.00 31.22 N ATOM 280 CA GLU A 22 -1.802 -8.501 14.785 1.00 53.14 C ATOM 281 C GLU A 22 -1.662 -7.703 16.078 1.00 52.44 C ATOM 282 O GLU A 22 -2.421 -7.898 17.026 1.00 52.21 O ATOM 283 CB GLU A 22 -3.230 -8.377 14.248 1.00 1.10 C ATOM 284 CG GLU A 22 -3.542 -9.344 13.118 1.00 23.14 C ATOM 285 CD GLU A 22 -4.745 -8.917 12.300 1.00 31.34 C ATOM 286 OE1 GLU A 22 -5.315 -7.847 12.599 1.00 43.44 O ATOM 287 OE2 GLU A 22 -5.117 -9.653 11.363 1.00 33.41 O ATOM 0 H GLU A 22 -2.254 -10.541 14.952 1.00 31.22 H new ATOM 0 HA GLU A 22 -1.108 -8.093 14.050 1.00 53.14 H new ATOM 0 HB2 GLU A 22 -3.932 -8.547 15.064 1.00 1.10 H new ATOM 0 HB3 GLU A 22 -3.390 -7.358 13.897 1.00 1.10 H new ATOM 0 HG2 GLU A 22 -2.673 -9.426 12.464 1.00 23.14 H new ATOM 0 HG3 GLU A 22 -3.723 -10.336 13.533 1.00 23.14 H new ATOM 294 N GLY A 23 -0.684 -6.802 16.107 1.00 32.24 N ATOM 295 CA GLY A 23 -0.461 -5.988 17.288 1.00 70.30 C ATOM 296 C GLY A 23 0.778 -6.407 18.055 1.00 52.52 C ATOM 297 O GLY A 23 1.194 -5.729 18.995 1.00 42.14 O ATOM 0 H GLY A 23 -0.043 -6.622 15.334 1.00 32.24 H new ATOM 0 HA2 GLY A 23 -0.366 -4.943 16.993 1.00 70.30 H new ATOM 0 HA3 GLY A 23 -1.330 -6.056 17.942 1.00 70.30 H new ATOM 301 N LYS A 24 1.369 -7.528 17.655 1.00 13.51 N ATOM 302 CA LYS A 24 2.567 -8.037 18.311 1.00 43.03 C ATOM 303 C LYS A 24 3.824 -7.584 17.574 1.00 22.45 C ATOM 304 O LYS A 24 3.750 -6.825 16.609 1.00 12.44 O ATOM 305 CB LYS A 24 2.526 -9.565 18.379 1.00 73.20 C ATOM 306 CG LYS A 24 1.470 -10.103 19.329 1.00 31.21 C ATOM 307 CD LYS A 24 1.073 -11.526 18.974 1.00 24.42 C ATOM 308 CE LYS A 24 0.798 -12.355 20.219 1.00 34.24 C ATOM 309 NZ LYS A 24 -0.656 -12.413 20.536 1.00 13.04 N ATOM 0 H LYS A 24 1.037 -8.101 16.879 1.00 13.51 H new ATOM 0 HA LYS A 24 2.595 -7.635 19.324 1.00 43.03 H new ATOM 0 HB2 LYS A 24 2.339 -9.960 17.380 1.00 73.20 H new ATOM 0 HB3 LYS A 24 3.504 -9.933 18.690 1.00 73.20 H new ATOM 0 HG2 LYS A 24 1.850 -10.074 20.350 1.00 31.21 H new ATOM 0 HG3 LYS A 24 0.590 -9.460 19.298 1.00 31.21 H new ATOM 0 HD2 LYS A 24 0.185 -11.510 18.343 1.00 24.42 H new ATOM 0 HD3 LYS A 24 1.869 -11.993 18.393 1.00 24.42 H new ATOM 0 HE2 LYS A 24 1.179 -13.366 20.074 1.00 34.24 H new ATOM 0 HE3 LYS A 24 1.338 -11.930 21.065 1.00 34.24 H new ATOM 0 HZ1 LYS A 24 -0.802 -12.987 21.391 1.00 13.04 H new ATOM 0 HZ2 LYS A 24 -1.014 -11.450 20.700 1.00 13.04 H new ATOM 0 HZ3 LYS A 24 -1.168 -12.842 19.739 1.00 13.04 H new ATOM 323 N ALA A 25 4.977 -8.058 18.036 1.00 43.53 N ATOM 324 CA ALA A 25 6.250 -7.704 17.419 1.00 74.15 C ATOM 325 C ALA A 25 6.890 -8.915 16.748 1.00 14.00 C ATOM 326 O ALA A 25 6.359 -10.025 16.809 1.00 51.34 O ATOM 327 CB ALA A 25 7.193 -7.113 18.455 1.00 10.44 C ATOM 0 H ALA A 25 5.056 -8.688 18.835 1.00 43.53 H new ATOM 0 HA ALA A 25 6.057 -6.955 16.651 1.00 74.15 H new ATOM 0 HB1 ALA A 25 8.139 -6.854 17.980 1.00 10.44 H new ATOM 0 HB2 ALA A 25 6.745 -6.217 18.885 1.00 10.44 H new ATOM 0 HB3 ALA A 25 7.371 -7.844 19.244 1.00 10.44 H new ATOM 333 N THR A 26 8.034 -8.695 16.107 1.00 33.24 N ATOM 334 CA THR A 26 8.745 -9.768 15.424 1.00 41.22 C ATOM 335 C THR A 26 10.251 -9.529 15.443 1.00 55.42 C ATOM 336 O THR A 26 10.718 -8.478 15.884 1.00 33.25 O ATOM 337 CB THR A 26 8.278 -9.910 13.963 1.00 52.11 C ATOM 338 OG1 THR A 26 8.831 -11.097 13.385 1.00 62.41 O ATOM 339 CG2 THR A 26 8.693 -8.699 13.142 1.00 44.25 C ATOM 0 H THR A 26 8.487 -7.783 16.047 1.00 33.24 H new ATOM 0 HA THR A 26 8.519 -10.689 15.961 1.00 41.22 H new ATOM 0 HB THR A 26 7.190 -9.977 13.958 1.00 52.11 H new ATOM 0 HG1 THR A 26 8.574 -11.151 12.441 1.00 62.41 H new ATOM 0 HG21 THR A 26 8.352 -8.822 12.114 1.00 44.25 H new ATOM 0 HG22 THR A 26 8.246 -7.801 13.567 1.00 44.25 H new ATOM 0 HG23 THR A 26 9.779 -8.605 13.155 1.00 44.25 H new ATOM 347 N THR A 27 11.007 -10.509 14.960 1.00 22.32 N ATOM 348 CA THR A 27 12.460 -10.405 14.922 1.00 24.52 C ATOM 349 C THR A 27 12.979 -10.468 13.490 1.00 11.01 C ATOM 350 O THR A 27 12.215 -10.698 12.553 1.00 22.20 O ATOM 351 CB THR A 27 13.125 -11.524 15.746 1.00 23.41 C ATOM 352 OG1 THR A 27 12.588 -12.797 15.368 1.00 41.42 O ATOM 353 CG2 THR A 27 12.911 -11.300 17.235 1.00 32.23 C ATOM 0 H THR A 27 10.637 -11.384 14.589 1.00 22.32 H new ATOM 0 HA THR A 27 12.719 -9.440 15.357 1.00 24.52 H new ATOM 0 HB THR A 27 14.196 -11.507 15.542 1.00 23.41 H new ATOM 0 HG1 THR A 27 13.017 -13.503 15.895 1.00 41.42 H new ATOM 0 HG21 THR A 27 13.389 -12.103 17.796 1.00 32.23 H new ATOM 0 HG22 THR A 27 13.347 -10.344 17.526 1.00 32.23 H new ATOM 0 HG23 THR A 27 11.843 -11.292 17.452 1.00 32.23 H new ATOM 361 N ALA A 28 14.282 -10.262 13.328 1.00 72.11 N ATOM 362 CA ALA A 28 14.903 -10.298 12.010 1.00 55.05 C ATOM 363 C ALA A 28 14.950 -11.721 11.464 1.00 64.12 C ATOM 364 O ALA A 28 14.647 -11.959 10.294 1.00 12.23 O ATOM 365 CB ALA A 28 16.303 -9.706 12.069 1.00 30.13 C ATOM 0 H ALA A 28 14.928 -10.068 14.093 1.00 72.11 H new ATOM 0 HA ALA A 28 14.296 -9.697 11.333 1.00 55.05 H new ATOM 0 HB1 ALA A 28 16.754 -9.740 11.077 1.00 30.13 H new ATOM 0 HB2 ALA A 28 16.247 -8.671 12.407 1.00 30.13 H new ATOM 0 HB3 ALA A 28 16.913 -10.282 12.765 1.00 30.13 H new ATOM 371 N HIS A 29 15.334 -12.665 12.318 1.00 43.24 N ATOM 372 CA HIS A 29 15.422 -14.065 11.920 1.00 20.52 C ATOM 373 C HIS A 29 14.115 -14.533 11.287 1.00 62.41 C ATOM 374 O HIS A 29 14.121 -15.290 10.315 1.00 12.44 O ATOM 375 CB HIS A 29 15.759 -14.940 13.128 1.00 33.12 C ATOM 376 CG HIS A 29 16.410 -16.239 12.764 1.00 35.15 C ATOM 377 ND1 HIS A 29 15.797 -17.462 12.937 1.00 75.22 N ATOM 378 CD2 HIS A 29 17.626 -16.501 12.233 1.00 25.41 C ATOM 379 CE1 HIS A 29 16.609 -18.421 12.529 1.00 50.32 C ATOM 380 NE2 HIS A 29 17.726 -17.864 12.097 1.00 61.14 N ATOM 0 H HIS A 29 15.589 -12.486 13.289 1.00 43.24 H new ATOM 0 HA HIS A 29 16.217 -14.158 11.180 1.00 20.52 H new ATOM 0 HB2 HIS A 29 16.420 -14.386 13.794 1.00 33.12 H new ATOM 0 HB3 HIS A 29 14.844 -15.145 13.684 1.00 33.12 H new ATOM 0 HD2 HIS A 29 18.378 -15.774 11.966 1.00 25.41 H new ATOM 0 HE1 HIS A 29 16.396 -19.480 12.546 1.00 50.32 H new ATOM 0 HE2 HIS A 29 18.532 -18.365 11.723 1.00 61.14 H new ATOM 388 N ASP A 30 12.998 -14.080 11.844 1.00 51.42 N ATOM 389 CA ASP A 30 11.683 -14.451 11.333 1.00 24.44 C ATOM 390 C ASP A 30 11.305 -13.593 10.131 1.00 54.32 C ATOM 391 O ASP A 30 10.519 -14.010 9.279 1.00 33.31 O ATOM 392 CB ASP A 30 10.627 -14.308 12.431 1.00 65.43 C ATOM 393 CG ASP A 30 10.242 -15.642 13.040 1.00 11.24 C ATOM 394 OD1 ASP A 30 11.102 -16.547 13.082 1.00 1.51 O ATOM 395 OD2 ASP A 30 9.080 -15.780 13.477 1.00 63.53 O ATOM 0 H ASP A 30 12.976 -13.455 12.650 1.00 51.42 H new ATOM 0 HA ASP A 30 11.725 -15.492 11.014 1.00 24.44 H new ATOM 0 HB2 ASP A 30 11.007 -13.651 13.213 1.00 65.43 H new ATOM 0 HB3 ASP A 30 9.739 -13.831 12.017 1.00 65.43 H new ATOM 400 N LEU A 31 11.867 -12.391 10.068 1.00 62.02 N ATOM 401 CA LEU A 31 11.588 -11.472 8.970 1.00 70.13 C ATOM 402 C LEU A 31 12.110 -12.028 7.648 1.00 14.15 C ATOM 403 O LEU A 31 11.334 -12.332 6.742 1.00 21.22 O ATOM 404 CB LEU A 31 12.221 -10.107 9.247 1.00 33.43 C ATOM 405 CG LEU A 31 11.319 -9.075 9.925 1.00 23.04 C ATOM 406 CD1 LEU A 31 12.152 -7.959 10.536 1.00 10.42 C ATOM 407 CD2 LEU A 31 10.314 -8.511 8.932 1.00 12.24 C ATOM 0 H LEU A 31 12.519 -12.030 10.765 1.00 62.02 H new ATOM 0 HA LEU A 31 10.507 -11.355 8.893 1.00 70.13 H new ATOM 0 HB2 LEU A 31 13.101 -10.257 9.872 1.00 33.43 H new ATOM 0 HB3 LEU A 31 12.568 -9.691 8.301 1.00 33.43 H new ATOM 0 HG LEU A 31 10.769 -9.570 10.725 1.00 23.04 H new ATOM 0 HD11 LEU A 31 11.494 -7.234 11.014 1.00 10.42 H new ATOM 0 HD12 LEU A 31 12.832 -8.377 11.279 1.00 10.42 H new ATOM 0 HD13 LEU A 31 12.729 -7.465 9.754 1.00 10.42 H new ATOM 0 HD21 LEU A 31 9.681 -7.778 9.432 1.00 12.24 H new ATOM 0 HD22 LEU A 31 10.845 -8.031 8.110 1.00 12.24 H new ATOM 0 HD23 LEU A 31 9.695 -9.319 8.542 1.00 12.24 H new ATOM 419 N SER A 32 13.428 -12.160 7.547 1.00 4.42 N ATOM 420 CA SER A 32 14.054 -12.678 6.336 1.00 1.42 C ATOM 421 C SER A 32 13.744 -14.161 6.156 1.00 13.51 C ATOM 422 O SER A 32 13.871 -14.704 5.060 1.00 62.31 O ATOM 423 CB SER A 32 15.568 -12.464 6.388 1.00 62.51 C ATOM 424 OG SER A 32 16.039 -12.471 7.725 1.00 72.15 O ATOM 0 H SER A 32 14.084 -11.915 8.289 1.00 4.42 H new ATOM 0 HA SER A 32 13.646 -12.134 5.484 1.00 1.42 H new ATOM 0 HB2 SER A 32 16.069 -13.247 5.819 1.00 62.51 H new ATOM 0 HB3 SER A 32 15.821 -11.515 5.915 1.00 62.51 H new ATOM 0 HG SER A 32 17.009 -12.334 7.731 1.00 72.15 H new ATOM 430 N GLY A 33 13.335 -14.810 7.242 1.00 1.43 N ATOM 431 CA GLY A 33 13.013 -16.223 7.184 1.00 32.43 C ATOM 432 C GLY A 33 11.609 -16.477 6.671 1.00 64.51 C ATOM 433 O GLY A 33 11.371 -17.441 5.942 1.00 24.14 O ATOM 0 H GLY A 33 13.221 -14.382 8.161 1.00 1.43 H new ATOM 0 HA2 GLY A 33 13.730 -16.730 6.538 1.00 32.43 H new ATOM 0 HA3 GLY A 33 13.117 -16.657 8.178 1.00 32.43 H new ATOM 437 N LYS A 34 10.676 -15.612 7.052 1.00 31.33 N ATOM 438 CA LYS A 34 9.288 -15.747 6.627 1.00 52.42 C ATOM 439 C LYS A 34 9.039 -14.981 5.331 1.00 24.11 C ATOM 440 O LYS A 34 8.503 -15.529 4.367 1.00 30.22 O ATOM 441 CB LYS A 34 8.346 -15.238 7.721 1.00 61.24 C ATOM 442 CG LYS A 34 8.364 -16.086 8.981 1.00 51.21 C ATOM 443 CD LYS A 34 7.712 -17.439 8.752 1.00 32.00 C ATOM 444 CE LYS A 34 8.073 -18.425 9.852 1.00 25.22 C ATOM 445 NZ LYS A 34 9.310 -19.189 9.528 1.00 71.22 N ATOM 0 H LYS A 34 10.856 -14.809 7.655 1.00 31.33 H new ATOM 0 HA LYS A 34 9.090 -16.804 6.448 1.00 52.42 H new ATOM 0 HB2 LYS A 34 8.620 -14.215 7.978 1.00 61.24 H new ATOM 0 HB3 LYS A 34 7.330 -15.207 7.328 1.00 61.24 H new ATOM 0 HG2 LYS A 34 9.393 -16.228 9.310 1.00 51.21 H new ATOM 0 HG3 LYS A 34 7.843 -15.561 9.782 1.00 51.21 H new ATOM 0 HD2 LYS A 34 6.629 -17.320 8.710 1.00 32.00 H new ATOM 0 HD3 LYS A 34 8.027 -17.837 7.787 1.00 32.00 H new ATOM 0 HE2 LYS A 34 8.213 -17.888 10.790 1.00 25.22 H new ATOM 0 HE3 LYS A 34 7.246 -19.119 10.003 1.00 25.22 H new ATOM 0 HZ1 LYS A 34 9.522 -19.850 10.302 1.00 71.22 H new ATOM 0 HZ2 LYS A 34 9.168 -19.722 8.646 1.00 71.22 H new ATOM 0 HZ3 LYS A 34 10.105 -18.529 9.409 1.00 71.22 H new ATOM 459 N LEU A 35 9.434 -13.713 5.314 1.00 15.40 N ATOM 460 CA LEU A 35 9.255 -12.872 4.135 1.00 10.34 C ATOM 461 C LEU A 35 10.021 -13.436 2.943 1.00 51.30 C ATOM 462 O LEU A 35 9.708 -13.134 1.792 1.00 2.31 O ATOM 463 CB LEU A 35 9.722 -11.445 4.427 1.00 10.42 C ATOM 464 CG LEU A 35 8.900 -10.325 3.787 1.00 63.32 C ATOM 465 CD1 LEU A 35 7.550 -10.195 4.473 1.00 14.23 C ATOM 466 CD2 LEU A 35 9.659 -9.007 3.843 1.00 30.44 C ATOM 0 H LEU A 35 9.880 -13.244 6.103 1.00 15.40 H new ATOM 0 HA LEU A 35 8.194 -12.857 3.887 1.00 10.34 H new ATOM 0 HB2 LEU A 35 9.721 -11.298 5.507 1.00 10.42 H new ATOM 0 HB3 LEU A 35 10.755 -11.347 4.093 1.00 10.42 H new ATOM 0 HG LEU A 35 8.729 -10.578 2.741 1.00 63.32 H new ATOM 0 HD11 LEU A 35 6.979 -9.393 4.004 1.00 14.23 H new ATOM 0 HD12 LEU A 35 7.002 -11.133 4.379 1.00 14.23 H new ATOM 0 HD13 LEU A 35 7.699 -9.965 5.528 1.00 14.23 H new ATOM 0 HD21 LEU A 35 9.059 -8.222 3.383 1.00 30.44 H new ATOM 0 HD22 LEU A 35 9.861 -8.748 4.882 1.00 30.44 H new ATOM 0 HD23 LEU A 35 10.601 -9.106 3.304 1.00 30.44 H new ATOM 478 N GLY A 36 11.026 -14.259 3.227 1.00 34.21 N ATOM 479 CA GLY A 36 11.819 -14.854 2.168 1.00 62.32 C ATOM 480 C GLY A 36 12.653 -13.831 1.423 1.00 10.41 C ATOM 481 O GLY A 36 13.096 -14.077 0.301 1.00 50.44 O ATOM 0 H GLY A 36 11.305 -14.524 4.172 1.00 34.21 H new ATOM 0 HA2 GLY A 36 12.475 -15.613 2.593 1.00 62.32 H new ATOM 0 HA3 GLY A 36 11.158 -15.361 1.465 1.00 62.32 H new ATOM 485 N THR A 37 12.867 -12.677 2.048 1.00 43.34 N ATOM 486 CA THR A 37 13.651 -11.611 1.436 1.00 13.31 C ATOM 487 C THR A 37 14.968 -11.404 2.175 1.00 41.53 C ATOM 488 O THR A 37 15.123 -11.783 3.335 1.00 22.54 O ATOM 489 CB THR A 37 12.872 -10.282 1.416 1.00 0.21 C ATOM 490 OG1 THR A 37 12.038 -10.185 2.576 1.00 22.12 O ATOM 491 CG2 THR A 37 12.019 -10.174 0.161 1.00 14.44 C ATOM 0 H THR A 37 12.508 -12.457 2.977 1.00 43.34 H new ATOM 0 HA THR A 37 13.857 -11.918 0.411 1.00 13.31 H new ATOM 0 HB THR A 37 13.592 -9.464 1.418 1.00 0.21 H new ATOM 0 HG1 THR A 37 12.597 -10.061 3.371 1.00 22.12 H new ATOM 0 HG21 THR A 37 11.478 -9.228 0.169 1.00 14.44 H new ATOM 0 HG22 THR A 37 12.660 -10.218 -0.720 1.00 14.44 H new ATOM 0 HG23 THR A 37 11.307 -10.999 0.133 1.00 14.44 H new ATOM 499 N PRO A 38 15.941 -10.786 1.489 1.00 42.14 N ATOM 500 CA PRO A 38 17.263 -10.513 2.061 1.00 32.12 C ATOM 501 C PRO A 38 17.215 -9.443 3.147 1.00 74.32 C ATOM 502 O PRO A 38 16.282 -8.642 3.202 1.00 11.52 O ATOM 503 CB PRO A 38 18.075 -10.020 0.861 1.00 73.53 C ATOM 504 CG PRO A 38 17.061 -9.468 -0.081 1.00 2.31 C ATOM 505 CD PRO A 38 15.826 -10.306 0.101 1.00 1.23 C ATOM 0 HA PRO A 38 17.686 -11.393 2.546 1.00 32.12 H new ATOM 0 HB2 PRO A 38 18.796 -9.258 1.157 1.00 73.53 H new ATOM 0 HB3 PRO A 38 18.639 -10.833 0.404 1.00 73.53 H new ATOM 0 HG2 PRO A 38 16.857 -8.420 0.136 1.00 2.31 H new ATOM 0 HG3 PRO A 38 17.417 -9.517 -1.110 1.00 2.31 H new ATOM 0 HD2 PRO A 38 14.918 -9.721 -0.048 1.00 1.23 H new ATOM 0 HD3 PRO A 38 15.793 -11.133 -0.609 1.00 1.23 H new ATOM 513 N LYS A 39 18.226 -9.436 4.009 1.00 54.11 N ATOM 514 CA LYS A 39 18.300 -8.464 5.093 1.00 44.52 C ATOM 515 C LYS A 39 18.178 -7.041 4.557 1.00 40.32 C ATOM 516 O LYS A 39 17.459 -6.214 5.118 1.00 33.23 O ATOM 517 CB LYS A 39 19.617 -8.621 5.857 1.00 43.45 C ATOM 518 CG LYS A 39 19.726 -7.718 7.073 1.00 21.24 C ATOM 519 CD LYS A 39 18.728 -8.111 8.150 1.00 51.43 C ATOM 520 CE LYS A 39 19.119 -7.544 9.506 1.00 23.40 C ATOM 521 NZ LYS A 39 19.375 -6.079 9.442 1.00 2.33 N ATOM 0 H LYS A 39 19.006 -10.093 3.978 1.00 54.11 H new ATOM 0 HA LYS A 39 17.468 -8.650 5.772 1.00 44.52 H new ATOM 0 HB2 LYS A 39 19.722 -9.658 6.175 1.00 43.45 H new ATOM 0 HB3 LYS A 39 20.446 -8.409 5.182 1.00 43.45 H new ATOM 0 HG2 LYS A 39 20.737 -7.770 7.476 1.00 21.24 H new ATOM 0 HG3 LYS A 39 19.554 -6.684 6.776 1.00 21.24 H new ATOM 0 HD2 LYS A 39 17.736 -7.752 7.877 1.00 51.43 H new ATOM 0 HD3 LYS A 39 18.668 -9.198 8.212 1.00 51.43 H new ATOM 0 HE2 LYS A 39 18.325 -7.743 10.225 1.00 23.40 H new ATOM 0 HE3 LYS A 39 20.012 -8.053 9.869 1.00 23.40 H new ATOM 0 HZ1 LYS A 39 19.455 -5.698 10.406 1.00 2.33 H new ATOM 0 HZ2 LYS A 39 20.261 -5.904 8.926 1.00 2.33 H new ATOM 0 HZ3 LYS A 39 18.588 -5.610 8.949 1.00 2.33 H new ATOM 535 N LYS A 40 18.884 -6.761 3.466 1.00 31.53 N ATOM 536 CA LYS A 40 18.853 -5.440 2.852 1.00 53.42 C ATOM 537 C LYS A 40 17.427 -5.048 2.475 1.00 23.13 C ATOM 538 O LYS A 40 17.123 -3.868 2.308 1.00 54.22 O ATOM 539 CB LYS A 40 19.746 -5.411 1.609 1.00 12.14 C ATOM 540 CG LYS A 40 20.576 -4.145 1.486 1.00 54.31 C ATOM 541 CD LYS A 40 21.991 -4.353 1.999 1.00 35.14 C ATOM 542 CE LYS A 40 22.113 -3.971 3.467 1.00 71.15 C ATOM 543 NZ LYS A 40 22.771 -2.647 3.642 1.00 52.42 N ATOM 0 H LYS A 40 19.485 -7.433 2.989 1.00 31.53 H new ATOM 0 HA LYS A 40 19.229 -4.720 3.579 1.00 53.42 H new ATOM 0 HB2 LYS A 40 20.414 -6.272 1.631 1.00 12.14 H new ATOM 0 HB3 LYS A 40 19.122 -5.514 0.721 1.00 12.14 H new ATOM 0 HG2 LYS A 40 20.609 -3.831 0.443 1.00 54.31 H new ATOM 0 HG3 LYS A 40 20.099 -3.341 2.047 1.00 54.31 H new ATOM 0 HD2 LYS A 40 22.277 -5.397 1.868 1.00 35.14 H new ATOM 0 HD3 LYS A 40 22.685 -3.756 1.408 1.00 35.14 H new ATOM 0 HE2 LYS A 40 21.122 -3.947 3.920 1.00 71.15 H new ATOM 0 HE3 LYS A 40 22.686 -4.734 3.995 1.00 71.15 H new ATOM 0 HZ1 LYS A 40 22.835 -2.423 4.655 1.00 52.42 H new ATOM 0 HZ2 LYS A 40 23.727 -2.677 3.233 1.00 52.42 H new ATOM 0 HZ3 LYS A 40 22.211 -1.915 3.160 1.00 52.42 H new ATOM 557 N GLU A 41 16.559 -6.046 2.346 1.00 72.14 N ATOM 558 CA GLU A 41 15.166 -5.804 1.990 1.00 74.13 C ATOM 559 C GLU A 41 14.365 -5.346 3.205 1.00 2.14 C ATOM 560 O GLU A 41 13.869 -4.220 3.246 1.00 11.33 O ATOM 561 CB GLU A 41 14.539 -7.070 1.400 1.00 3.25 C ATOM 562 CG GLU A 41 13.183 -6.835 0.758 1.00 73.04 C ATOM 563 CD GLU A 41 13.287 -6.487 -0.715 1.00 22.04 C ATOM 564 OE1 GLU A 41 14.423 -6.317 -1.206 1.00 35.04 O ATOM 565 OE2 GLU A 41 12.232 -6.385 -1.376 1.00 24.04 O ATOM 0 H GLU A 41 16.795 -7.029 2.483 1.00 72.14 H new ATOM 0 HA GLU A 41 15.142 -5.012 1.241 1.00 74.13 H new ATOM 0 HB2 GLU A 41 15.217 -7.488 0.655 1.00 3.25 H new ATOM 0 HB3 GLU A 41 14.434 -7.815 2.189 1.00 3.25 H new ATOM 0 HG2 GLU A 41 12.571 -7.729 0.874 1.00 73.04 H new ATOM 0 HG3 GLU A 41 12.672 -6.028 1.283 1.00 73.04 H new ATOM 572 N ILE A 42 14.244 -6.227 4.193 1.00 51.23 N ATOM 573 CA ILE A 42 13.505 -5.913 5.409 1.00 33.22 C ATOM 574 C ILE A 42 14.158 -4.764 6.169 1.00 43.33 C ATOM 575 O ILE A 42 13.513 -4.090 6.971 1.00 30.23 O ATOM 576 CB ILE A 42 13.405 -7.137 6.339 1.00 42.02 C ATOM 577 CG1 ILE A 42 14.744 -7.876 6.391 1.00 41.34 C ATOM 578 CG2 ILE A 42 12.298 -8.069 5.871 1.00 74.03 C ATOM 579 CD1 ILE A 42 14.756 -9.161 5.593 1.00 44.22 C ATOM 0 H ILE A 42 14.648 -7.163 4.175 1.00 51.23 H new ATOM 0 HA ILE A 42 12.502 -5.618 5.101 1.00 33.22 H new ATOM 0 HB ILE A 42 13.162 -6.792 7.344 1.00 42.02 H new ATOM 0 HG12 ILE A 42 15.528 -7.218 6.016 1.00 41.34 H new ATOM 0 HG13 ILE A 42 14.986 -8.101 7.430 1.00 41.34 H new ATOM 0 HG21 ILE A 42 12.240 -8.929 6.538 1.00 74.03 H new ATOM 0 HG22 ILE A 42 11.346 -7.537 5.881 1.00 74.03 H new ATOM 0 HG23 ILE A 42 12.513 -8.410 4.858 1.00 74.03 H new ATOM 0 HD11 ILE A 42 15.736 -9.631 5.675 1.00 44.22 H new ATOM 0 HD12 ILE A 42 13.995 -9.838 5.982 1.00 44.22 H new ATOM 0 HD13 ILE A 42 14.546 -8.941 4.546 1.00 44.22 H new ATOM 591 N ALA A 43 15.443 -4.544 5.908 1.00 71.20 N ATOM 592 CA ALA A 43 16.183 -3.474 6.564 1.00 44.42 C ATOM 593 C ALA A 43 15.866 -2.121 5.934 1.00 23.34 C ATOM 594 O ALA A 43 15.938 -1.086 6.596 1.00 4.24 O ATOM 595 CB ALA A 43 17.678 -3.750 6.500 1.00 22.02 C ATOM 0 H ALA A 43 15.992 -5.093 5.247 1.00 71.20 H new ATOM 0 HA ALA A 43 15.875 -3.441 7.609 1.00 44.42 H new ATOM 0 HB1 ALA A 43 18.219 -2.943 6.994 1.00 22.02 H new ATOM 0 HB2 ALA A 43 17.896 -4.693 7.002 1.00 22.02 H new ATOM 0 HB3 ALA A 43 17.992 -3.813 5.458 1.00 22.02 H new ATOM 601 N ARG A 44 15.516 -2.138 4.653 1.00 50.04 N ATOM 602 CA ARG A 44 15.190 -0.912 3.934 1.00 71.34 C ATOM 603 C ARG A 44 13.720 -0.547 4.121 1.00 3.41 C ATOM 604 O ARG A 44 13.363 0.631 4.160 1.00 74.34 O ATOM 605 CB ARG A 44 15.501 -1.071 2.444 1.00 31.33 C ATOM 606 CG ARG A 44 16.752 -0.331 2.001 1.00 24.31 C ATOM 607 CD ARG A 44 17.311 -0.905 0.708 1.00 33.43 C ATOM 608 NE ARG A 44 16.307 -0.944 -0.352 1.00 0.31 N ATOM 609 CZ ARG A 44 16.517 -1.493 -1.543 1.00 50.31 C ATOM 610 NH1 ARG A 44 17.688 -2.047 -1.824 1.00 42.02 N ATOM 611 NH2 ARG A 44 15.554 -1.488 -2.456 1.00 30.50 N ATOM 0 H ARG A 44 15.451 -2.987 4.091 1.00 50.04 H new ATOM 0 HA ARG A 44 15.802 -0.107 4.342 1.00 71.34 H new ATOM 0 HB2 ARG A 44 15.616 -2.131 2.217 1.00 31.33 H new ATOM 0 HB3 ARG A 44 14.651 -0.711 1.864 1.00 31.33 H new ATOM 0 HG2 ARG A 44 16.521 0.725 1.862 1.00 24.31 H new ATOM 0 HG3 ARG A 44 17.508 -0.391 2.784 1.00 24.31 H new ATOM 0 HD2 ARG A 44 18.160 -0.304 0.382 1.00 33.43 H new ATOM 0 HD3 ARG A 44 17.685 -1.912 0.890 1.00 33.43 H new ATOM 0 HE ARG A 44 15.395 -0.527 -0.168 1.00 0.31 H new ATOM 0 HH11 ARG A 44 18.431 -2.052 -1.125 1.00 42.02 H new ATOM 0 HH12 ARG A 44 17.846 -2.468 -2.739 1.00 42.02 H new ATOM 0 HH21 ARG A 44 14.652 -1.062 -2.243 1.00 30.50 H new ATOM 0 HH22 ARG A 44 15.716 -1.910 -3.370 1.00 30.50 H new ATOM 625 N VAL A 45 12.873 -1.564 4.237 1.00 73.13 N ATOM 626 CA VAL A 45 11.442 -1.350 4.421 1.00 62.34 C ATOM 627 C VAL A 45 11.138 -0.847 5.827 1.00 21.43 C ATOM 628 O VAL A 45 10.291 0.027 6.017 1.00 61.35 O ATOM 629 CB VAL A 45 10.644 -2.643 4.166 1.00 42.24 C ATOM 630 CG1 VAL A 45 9.171 -2.431 4.478 1.00 33.21 C ATOM 631 CG2 VAL A 45 10.832 -3.110 2.730 1.00 54.40 C ATOM 0 H VAL A 45 13.152 -2.545 4.207 1.00 73.13 H new ATOM 0 HA VAL A 45 11.139 -0.596 3.695 1.00 62.34 H new ATOM 0 HB VAL A 45 11.023 -3.421 4.829 1.00 42.24 H new ATOM 0 HG11 VAL A 45 8.623 -3.355 4.292 1.00 33.21 H new ATOM 0 HG12 VAL A 45 9.058 -2.146 5.524 1.00 33.21 H new ATOM 0 HG13 VAL A 45 8.775 -1.640 3.842 1.00 33.21 H new ATOM 0 HG21 VAL A 45 10.262 -4.024 2.567 1.00 54.40 H new ATOM 0 HG22 VAL A 45 10.481 -2.337 2.047 1.00 54.40 H new ATOM 0 HG23 VAL A 45 11.889 -3.304 2.546 1.00 54.40 H new ATOM 641 N LEU A 46 11.834 -1.404 6.812 1.00 64.40 N ATOM 642 CA LEU A 46 11.640 -1.012 8.204 1.00 71.24 C ATOM 643 C LEU A 46 12.047 0.442 8.422 1.00 73.44 C ATOM 644 O LEU A 46 11.421 1.161 9.200 1.00 45.44 O ATOM 645 CB LEU A 46 12.448 -1.924 9.129 1.00 73.03 C ATOM 646 CG LEU A 46 11.685 -3.093 9.753 1.00 15.53 C ATOM 647 CD1 LEU A 46 12.599 -4.296 9.926 1.00 15.31 C ATOM 648 CD2 LEU A 46 11.081 -2.683 11.089 1.00 43.51 C ATOM 0 H LEU A 46 12.538 -2.129 6.673 1.00 64.40 H new ATOM 0 HA LEU A 46 10.581 -1.113 8.440 1.00 71.24 H new ATOM 0 HB2 LEU A 46 13.290 -2.325 8.565 1.00 73.03 H new ATOM 0 HB3 LEU A 46 12.863 -1.317 9.933 1.00 73.03 H new ATOM 0 HG LEU A 46 10.874 -3.373 9.081 1.00 15.53 H new ATOM 0 HD11 LEU A 46 12.038 -5.118 10.371 1.00 15.31 H new ATOM 0 HD12 LEU A 46 12.983 -4.604 8.954 1.00 15.31 H new ATOM 0 HD13 LEU A 46 13.432 -4.030 10.577 1.00 15.31 H new ATOM 0 HD21 LEU A 46 10.542 -3.527 11.519 1.00 43.51 H new ATOM 0 HD22 LEU A 46 11.876 -2.376 11.769 1.00 43.51 H new ATOM 0 HD23 LEU A 46 10.392 -1.852 10.937 1.00 43.51 H new ATOM 660 N ALA A 47 13.097 0.867 7.728 1.00 41.24 N ATOM 661 CA ALA A 47 13.585 2.236 7.842 1.00 54.10 C ATOM 662 C ALA A 47 12.747 3.190 6.996 1.00 23.54 C ATOM 663 O ALA A 47 12.577 4.357 7.346 1.00 53.53 O ATOM 664 CB ALA A 47 15.048 2.311 7.433 1.00 41.14 C ATOM 0 H ALA A 47 13.626 0.283 7.081 1.00 41.24 H new ATOM 0 HA ALA A 47 13.495 2.542 8.884 1.00 54.10 H new ATOM 0 HB1 ALA A 47 15.399 3.339 7.523 1.00 41.14 H new ATOM 0 HB2 ALA A 47 15.641 1.667 8.083 1.00 41.14 H new ATOM 0 HB3 ALA A 47 15.154 1.981 6.400 1.00 41.14 H new ATOM 670 N SER A 48 12.227 2.684 5.882 1.00 4.13 N ATOM 671 CA SER A 48 11.411 3.493 4.984 1.00 23.33 C ATOM 672 C SER A 48 10.115 3.921 5.665 1.00 30.55 C ATOM 673 O SER A 48 9.667 5.058 5.516 1.00 5.42 O ATOM 674 CB SER A 48 11.096 2.713 3.706 1.00 30.24 C ATOM 675 OG SER A 48 10.504 3.552 2.730 1.00 64.03 O ATOM 0 H SER A 48 12.356 1.718 5.580 1.00 4.13 H new ATOM 0 HA SER A 48 11.977 4.388 4.725 1.00 23.33 H new ATOM 0 HB2 SER A 48 12.012 2.276 3.308 1.00 30.24 H new ATOM 0 HB3 SER A 48 10.423 1.887 3.937 1.00 30.24 H new ATOM 0 HG SER A 48 10.314 3.031 1.922 1.00 64.03 H new ATOM 681 N LEU A 49 9.516 3.001 6.414 1.00 61.21 N ATOM 682 CA LEU A 49 8.270 3.281 7.119 1.00 23.04 C ATOM 683 C LEU A 49 8.541 3.993 8.441 1.00 62.21 C ATOM 684 O LEU A 49 7.851 4.947 8.796 1.00 15.40 O ATOM 685 CB LEU A 49 7.502 1.983 7.374 1.00 25.23 C ATOM 686 CG LEU A 49 6.560 1.530 6.258 1.00 10.35 C ATOM 687 CD1 LEU A 49 5.367 2.467 6.155 1.00 14.20 C ATOM 688 CD2 LEU A 49 7.301 1.458 4.931 1.00 14.51 C ATOM 0 H LEU A 49 9.873 2.055 6.549 1.00 61.21 H new ATOM 0 HA LEU A 49 7.666 3.936 6.492 1.00 23.04 H new ATOM 0 HB2 LEU A 49 8.224 1.187 7.558 1.00 25.23 H new ATOM 0 HB3 LEU A 49 6.920 2.102 8.288 1.00 25.23 H new ATOM 0 HG LEU A 49 6.193 0.533 6.500 1.00 10.35 H new ATOM 0 HD11 LEU A 49 4.707 2.129 5.356 1.00 14.20 H new ATOM 0 HD12 LEU A 49 4.822 2.468 7.099 1.00 14.20 H new ATOM 0 HD13 LEU A 49 5.715 3.476 5.936 1.00 14.20 H new ATOM 0 HD21 LEU A 49 6.615 1.134 4.148 1.00 14.51 H new ATOM 0 HD22 LEU A 49 7.697 2.442 4.682 1.00 14.51 H new ATOM 0 HD23 LEU A 49 8.122 0.746 5.011 1.00 14.51 H new ATOM 700 N ALA A 50 9.552 3.523 9.164 1.00 64.31 N ATOM 701 CA ALA A 50 9.917 4.117 10.444 1.00 64.11 C ATOM 702 C ALA A 50 10.100 5.626 10.317 1.00 75.52 C ATOM 703 O ALA A 50 9.841 6.374 11.259 1.00 13.43 O ATOM 704 CB ALA A 50 11.187 3.473 10.981 1.00 1.45 C ATOM 0 H ALA A 50 10.133 2.732 8.885 1.00 64.31 H new ATOM 0 HA ALA A 50 9.104 3.934 11.147 1.00 64.11 H new ATOM 0 HB1 ALA A 50 11.448 3.926 11.937 1.00 1.45 H new ATOM 0 HB2 ALA A 50 11.023 2.404 11.118 1.00 1.45 H new ATOM 0 HB3 ALA A 50 12.001 3.627 10.272 1.00 1.45 H new ATOM 710 N LYS A 51 10.547 6.066 9.146 1.00 3.20 N ATOM 711 CA LYS A 51 10.764 7.486 8.894 1.00 20.14 C ATOM 712 C LYS A 51 9.492 8.285 9.157 1.00 11.51 C ATOM 713 O LYS A 51 9.549 9.454 9.540 1.00 14.23 O ATOM 714 CB LYS A 51 11.228 7.704 7.452 1.00 13.44 C ATOM 715 CG LYS A 51 12.044 8.971 7.261 1.00 22.24 C ATOM 716 CD LYS A 51 13.044 8.824 6.127 1.00 61.34 C ATOM 717 CE LYS A 51 14.214 9.783 6.287 1.00 72.33 C ATOM 718 NZ LYS A 51 14.925 10.010 4.998 1.00 14.41 N ATOM 0 H LYS A 51 10.766 5.459 8.356 1.00 3.20 H new ATOM 0 HA LYS A 51 11.539 7.837 9.575 1.00 20.14 H new ATOM 0 HB2 LYS A 51 11.824 6.847 7.137 1.00 13.44 H new ATOM 0 HB3 LYS A 51 10.355 7.742 6.800 1.00 13.44 H new ATOM 0 HG2 LYS A 51 11.376 9.807 7.053 1.00 22.24 H new ATOM 0 HG3 LYS A 51 12.572 9.208 8.185 1.00 22.24 H new ATOM 0 HD2 LYS A 51 13.414 7.799 6.097 1.00 61.34 H new ATOM 0 HD3 LYS A 51 12.547 9.011 5.175 1.00 61.34 H new ATOM 0 HE2 LYS A 51 13.853 10.735 6.675 1.00 72.33 H new ATOM 0 HE3 LYS A 51 14.913 9.384 7.022 1.00 72.33 H new ATOM 0 HZ1 LYS A 51 15.715 10.669 5.149 1.00 14.41 H new ATOM 0 HZ2 LYS A 51 15.292 9.105 4.640 1.00 14.41 H new ATOM 0 HZ3 LYS A 51 14.265 10.415 4.304 1.00 14.41 H new ATOM 732 N LYS A 52 8.345 7.648 8.950 1.00 14.11 N ATOM 733 CA LYS A 52 7.058 8.298 9.167 1.00 14.20 C ATOM 734 C LYS A 52 6.586 8.105 10.605 1.00 73.45 C ATOM 735 O LYS A 52 5.736 8.848 11.095 1.00 65.43 O ATOM 736 CB LYS A 52 6.013 7.743 8.197 1.00 75.23 C ATOM 737 CG LYS A 52 4.730 8.556 8.153 1.00 22.23 C ATOM 738 CD LYS A 52 3.517 7.671 7.923 1.00 35.14 C ATOM 739 CE LYS A 52 2.990 7.097 9.230 1.00 71.23 C ATOM 740 NZ LYS A 52 2.486 8.162 10.140 1.00 31.34 N ATOM 0 H LYS A 52 8.280 6.681 8.632 1.00 14.11 H new ATOM 0 HA LYS A 52 7.183 9.365 8.985 1.00 14.20 H new ATOM 0 HB2 LYS A 52 6.443 7.704 7.196 1.00 75.23 H new ATOM 0 HB3 LYS A 52 5.774 6.718 8.481 1.00 75.23 H new ATOM 0 HG2 LYS A 52 4.611 9.101 9.089 1.00 22.23 H new ATOM 0 HG3 LYS A 52 4.796 9.299 7.358 1.00 22.23 H new ATOM 0 HD2 LYS A 52 2.732 8.248 7.435 1.00 35.14 H new ATOM 0 HD3 LYS A 52 3.782 6.857 7.248 1.00 35.14 H new ATOM 0 HE2 LYS A 52 2.188 6.390 9.019 1.00 71.23 H new ATOM 0 HE3 LYS A 52 3.783 6.539 9.728 1.00 71.23 H new ATOM 0 HZ1 LYS A 52 1.768 7.763 10.778 1.00 31.34 H new ATOM 0 HZ2 LYS A 52 3.275 8.541 10.701 1.00 31.34 H new ATOM 0 HZ3 LYS A 52 2.062 8.927 9.578 1.00 31.34 H new ATOM 754 N GLY A 53 7.144 7.102 11.276 1.00 35.40 N ATOM 755 CA GLY A 53 6.768 6.830 12.651 1.00 32.22 C ATOM 756 C GLY A 53 5.764 5.700 12.765 1.00 12.04 C ATOM 757 O GLY A 53 4.997 5.635 13.726 1.00 11.25 O ATOM 0 H GLY A 53 7.849 6.473 10.892 1.00 35.40 H new ATOM 0 HA2 GLY A 53 7.660 6.579 13.225 1.00 32.22 H new ATOM 0 HA3 GLY A 53 6.347 7.732 13.094 1.00 32.22 H new ATOM 761 N LYS A 54 5.766 4.807 11.782 1.00 51.05 N ATOM 762 CA LYS A 54 4.848 3.674 11.774 1.00 24.22 C ATOM 763 C LYS A 54 5.542 2.409 12.271 1.00 52.22 C ATOM 764 O LYS A 54 4.898 1.504 12.802 1.00 32.34 O ATOM 765 CB LYS A 54 4.298 3.446 10.365 1.00 53.24 C ATOM 766 CG LYS A 54 3.506 2.158 10.222 1.00 62.35 C ATOM 767 CD LYS A 54 2.622 2.181 8.986 1.00 64.43 C ATOM 768 CE LYS A 54 1.215 2.652 9.316 1.00 14.20 C ATOM 769 NZ LYS A 54 1.118 4.138 9.338 1.00 4.13 N ATOM 0 H LYS A 54 6.394 4.846 10.979 1.00 51.05 H new ATOM 0 HA LYS A 54 4.022 3.903 12.447 1.00 24.22 H new ATOM 0 HB2 LYS A 54 3.660 4.287 10.093 1.00 53.24 H new ATOM 0 HB3 LYS A 54 5.128 3.433 9.658 1.00 53.24 H new ATOM 0 HG2 LYS A 54 4.192 1.313 10.164 1.00 62.35 H new ATOM 0 HG3 LYS A 54 2.890 2.008 11.108 1.00 62.35 H new ATOM 0 HD2 LYS A 54 3.061 2.839 8.236 1.00 64.43 H new ATOM 0 HD3 LYS A 54 2.580 1.183 8.549 1.00 64.43 H new ATOM 0 HE2 LYS A 54 0.517 2.253 8.580 1.00 14.20 H new ATOM 0 HE3 LYS A 54 0.917 2.254 10.286 1.00 14.20 H new ATOM 0 HZ1 LYS A 54 0.122 4.422 9.244 1.00 4.13 H new ATOM 0 HZ2 LYS A 54 1.497 4.497 10.237 1.00 4.13 H new ATOM 0 HZ3 LYS A 54 1.667 4.533 8.548 1.00 4.13 H new ATOM 783 N LEU A 55 6.857 2.354 12.096 1.00 65.22 N ATOM 784 CA LEU A 55 7.639 1.200 12.528 1.00 50.31 C ATOM 785 C LEU A 55 8.375 1.498 13.830 1.00 45.31 C ATOM 786 O LEU A 55 8.505 2.655 14.230 1.00 53.05 O ATOM 787 CB LEU A 55 8.640 0.802 11.442 1.00 60.10 C ATOM 788 CG LEU A 55 8.237 -0.380 10.559 1.00 45.42 C ATOM 789 CD1 LEU A 55 8.047 -1.633 11.398 1.00 34.15 C ATOM 790 CD2 LEU A 55 6.969 -0.057 9.782 1.00 30.34 C ATOM 0 H LEU A 55 7.405 3.095 11.658 1.00 65.22 H new ATOM 0 HA LEU A 55 6.953 0.371 12.702 1.00 50.31 H new ATOM 0 HB2 LEU A 55 8.813 1.666 10.801 1.00 60.10 H new ATOM 0 HB3 LEU A 55 9.590 0.565 11.921 1.00 60.10 H new ATOM 0 HG LEU A 55 9.039 -0.565 9.845 1.00 45.42 H new ATOM 0 HD11 LEU A 55 7.761 -2.463 10.752 1.00 34.15 H new ATOM 0 HD12 LEU A 55 8.980 -1.875 11.907 1.00 34.15 H new ATOM 0 HD13 LEU A 55 7.264 -1.461 12.137 1.00 34.15 H new ATOM 0 HD21 LEU A 55 6.697 -0.909 9.159 1.00 30.34 H new ATOM 0 HD22 LEU A 55 6.159 0.156 10.480 1.00 30.34 H new ATOM 0 HD23 LEU A 55 7.142 0.814 9.150 1.00 30.34 H new ATOM 802 N GLN A 56 8.858 0.447 14.485 1.00 53.10 N ATOM 803 CA GLN A 56 9.583 0.597 15.741 1.00 12.21 C ATOM 804 C GLN A 56 10.582 -0.539 15.932 1.00 32.21 C ATOM 805 O GLN A 56 10.368 -1.655 15.457 1.00 40.31 O ATOM 806 CB GLN A 56 8.605 0.636 16.917 1.00 4.01 C ATOM 807 CG GLN A 56 8.104 2.033 17.246 1.00 45.10 C ATOM 808 CD GLN A 56 9.229 2.990 17.589 1.00 13.44 C ATOM 809 OE1 GLN A 56 10.114 2.668 18.382 1.00 32.24 O ATOM 810 NE2 GLN A 56 9.200 4.176 16.992 1.00 11.25 N ATOM 0 H GLN A 56 8.760 -0.517 14.167 1.00 53.10 H new ATOM 0 HA GLN A 56 10.133 1.537 15.704 1.00 12.21 H new ATOM 0 HB2 GLN A 56 7.752 -0.003 16.690 1.00 4.01 H new ATOM 0 HB3 GLN A 56 9.092 0.217 17.798 1.00 4.01 H new ATOM 0 HG2 GLN A 56 7.546 2.424 16.396 1.00 45.10 H new ATOM 0 HG3 GLN A 56 7.410 1.978 18.085 1.00 45.10 H new ATOM 0 HE21 GLN A 56 8.447 4.401 16.341 1.00 11.25 H new ATOM 0 HE22 GLN A 56 9.930 4.862 17.184 1.00 11.25 H new ATOM 819 N LYS A 57 11.674 -0.249 16.631 1.00 41.14 N ATOM 820 CA LYS A 57 12.707 -1.246 16.886 1.00 11.21 C ATOM 821 C LYS A 57 13.089 -1.267 18.363 1.00 63.14 C ATOM 822 O LYS A 57 13.794 -0.380 18.843 1.00 54.21 O ATOM 823 CB LYS A 57 13.944 -0.959 16.032 1.00 0.01 C ATOM 824 CG LYS A 57 14.403 0.488 16.092 1.00 34.24 C ATOM 825 CD LYS A 57 15.476 0.776 15.056 1.00 1.14 C ATOM 826 CE LYS A 57 14.870 1.227 13.736 1.00 31.22 C ATOM 827 NZ LYS A 57 14.360 2.624 13.808 1.00 10.03 N ATOM 0 H LYS A 57 11.867 0.669 17.031 1.00 41.14 H new ATOM 0 HA LYS A 57 12.308 -2.224 16.618 1.00 11.21 H new ATOM 0 HB2 LYS A 57 14.759 -1.604 16.360 1.00 0.01 H new ATOM 0 HB3 LYS A 57 13.728 -1.220 14.996 1.00 0.01 H new ATOM 0 HG2 LYS A 57 13.551 1.148 15.928 1.00 34.24 H new ATOM 0 HG3 LYS A 57 14.789 0.707 17.088 1.00 34.24 H new ATOM 0 HD2 LYS A 57 16.148 1.548 15.432 1.00 1.14 H new ATOM 0 HD3 LYS A 57 16.077 -0.119 14.895 1.00 1.14 H new ATOM 0 HE2 LYS A 57 15.620 1.154 12.949 1.00 31.22 H new ATOM 0 HE3 LYS A 57 14.055 0.557 13.463 1.00 31.22 H new ATOM 0 HZ1 LYS A 57 14.175 2.976 12.847 1.00 10.03 H new ATOM 0 HZ2 LYS A 57 13.478 2.644 14.359 1.00 10.03 H new ATOM 0 HZ3 LYS A 57 15.070 3.229 14.268 1.00 10.03 H new ATOM 841 N GLU A 58 12.621 -2.287 19.076 1.00 3.50 N ATOM 842 CA GLU A 58 12.916 -2.422 20.498 1.00 72.13 C ATOM 843 C GLU A 58 14.401 -2.693 20.722 1.00 34.03 C ATOM 844 O GLU A 58 14.834 -3.844 20.760 1.00 74.34 O ATOM 845 CB GLU A 58 12.082 -3.550 21.109 1.00 62.54 C ATOM 846 CG GLU A 58 11.670 -3.292 22.548 1.00 51.00 C ATOM 847 CD GLU A 58 10.909 -1.991 22.712 1.00 14.11 C ATOM 848 OE1 GLU A 58 10.475 -1.423 21.688 1.00 45.01 O ATOM 849 OE2 GLU A 58 10.746 -1.541 23.866 1.00 50.12 O ATOM 0 H GLU A 58 12.037 -3.031 18.693 1.00 3.50 H new ATOM 0 HA GLU A 58 12.658 -1.483 20.988 1.00 72.13 H new ATOM 0 HB2 GLU A 58 11.187 -3.697 20.505 1.00 62.54 H new ATOM 0 HB3 GLU A 58 12.653 -4.478 21.064 1.00 62.54 H new ATOM 0 HG2 GLU A 58 11.051 -4.118 22.898 1.00 51.00 H new ATOM 0 HG3 GLU A 58 12.559 -3.271 23.178 1.00 51.00 H new ATOM 856 N ALA A 59 15.175 -1.623 20.871 1.00 64.43 N ATOM 857 CA ALA A 59 16.611 -1.745 21.093 1.00 52.21 C ATOM 858 C ALA A 59 16.946 -1.652 22.578 1.00 63.24 C ATOM 859 O ALA A 59 17.448 -0.632 23.048 1.00 32.22 O ATOM 860 CB ALA A 59 17.358 -0.673 20.313 1.00 21.12 C ATOM 0 H ALA A 59 14.832 -0.663 20.842 1.00 64.43 H new ATOM 0 HA ALA A 59 16.928 -2.725 20.736 1.00 52.21 H new ATOM 0 HB1 ALA A 59 18.429 -0.776 20.488 1.00 21.12 H new ATOM 0 HB2 ALA A 59 17.151 -0.787 19.249 1.00 21.12 H new ATOM 0 HB3 ALA A 59 17.029 0.313 20.643 1.00 21.12 H new ATOM 866 N GLY A 60 16.665 -2.725 23.311 1.00 1.14 N ATOM 867 CA GLY A 60 16.943 -2.743 24.736 1.00 61.14 C ATOM 868 C GLY A 60 16.996 -4.150 25.298 1.00 2.41 C ATOM 869 O GLY A 60 17.613 -5.039 24.711 1.00 60.23 O ATOM 0 H GLY A 60 16.250 -3.582 22.944 1.00 1.14 H new ATOM 0 HA2 GLY A 60 17.894 -2.244 24.924 1.00 61.14 H new ATOM 0 HA3 GLY A 60 16.175 -2.174 25.260 1.00 61.14 H new ATOM 873 N THR A 61 16.349 -4.353 26.441 1.00 20.15 N ATOM 874 CA THR A 61 16.327 -5.660 27.085 1.00 23.43 C ATOM 875 C THR A 61 15.817 -6.734 26.132 1.00 71.54 C ATOM 876 O THR A 61 16.517 -7.693 25.806 1.00 21.53 O ATOM 877 CB THR A 61 15.445 -5.650 28.348 1.00 23.11 C ATOM 878 OG1 THR A 61 16.221 -5.253 29.484 1.00 2.03 O ATOM 879 CG2 THR A 61 14.839 -7.023 28.596 1.00 25.22 C ATOM 0 H THR A 61 15.833 -3.628 26.940 1.00 20.15 H new ATOM 0 HA THR A 61 17.354 -5.889 27.370 1.00 23.43 H new ATOM 0 HB THR A 61 14.636 -4.936 28.194 1.00 23.11 H new ATOM 0 HG1 THR A 61 15.653 -5.247 30.282 1.00 2.03 H new ATOM 0 HG21 THR A 61 14.220 -6.991 29.493 1.00 25.22 H new ATOM 0 HG22 THR A 61 14.225 -7.309 27.742 1.00 25.22 H new ATOM 0 HG23 THR A 61 15.636 -7.754 28.731 1.00 25.22 H new ATOM 887 N PRO A 62 14.568 -6.573 25.671 1.00 53.43 N ATOM 888 CA PRO A 62 13.936 -7.519 24.746 1.00 3.20 C ATOM 889 C PRO A 62 14.560 -7.474 23.355 1.00 21.03 C ATOM 890 O PRO A 62 14.393 -6.513 22.604 1.00 13.12 O ATOM 891 CB PRO A 62 12.481 -7.047 24.695 1.00 70.12 C ATOM 892 CG PRO A 62 12.539 -5.600 25.042 1.00 5.43 C ATOM 893 CD PRO A 62 13.676 -5.453 26.016 1.00 33.23 C ATOM 0 HA PRO A 62 14.052 -8.551 25.076 1.00 3.20 H new ATOM 0 HB2 PRO A 62 12.050 -7.200 23.706 1.00 70.12 H new ATOM 0 HB3 PRO A 62 11.861 -7.599 25.401 1.00 70.12 H new ATOM 0 HG2 PRO A 62 12.706 -4.992 24.153 1.00 5.43 H new ATOM 0 HG3 PRO A 62 11.600 -5.267 25.485 1.00 5.43 H new ATOM 0 HD2 PRO A 62 14.177 -4.491 25.906 1.00 33.23 H new ATOM 0 HD3 PRO A 62 13.332 -5.517 27.048 1.00 33.23 H new ATOM 901 N PRO A 63 15.297 -8.538 23.002 1.00 54.24 N ATOM 902 CA PRO A 63 15.959 -8.644 21.698 1.00 3.24 C ATOM 903 C PRO A 63 14.966 -8.829 20.556 1.00 1.33 C ATOM 904 O PRO A 63 14.668 -9.955 20.155 1.00 1.42 O ATOM 905 CB PRO A 63 16.840 -9.887 21.848 1.00 34.12 C ATOM 906 CG PRO A 63 16.168 -10.702 22.899 1.00 60.43 C ATOM 907 CD PRO A 63 15.539 -9.719 23.847 1.00 73.24 C ATOM 0 HA PRO A 63 16.513 -7.739 21.448 1.00 3.24 H new ATOM 0 HB2 PRO A 63 16.914 -10.435 20.909 1.00 34.12 H new ATOM 0 HB3 PRO A 63 17.855 -9.620 22.142 1.00 34.12 H new ATOM 0 HG2 PRO A 63 15.416 -11.359 22.462 1.00 60.43 H new ATOM 0 HG3 PRO A 63 16.885 -11.339 23.417 1.00 60.43 H new ATOM 0 HD2 PRO A 63 14.613 -10.106 24.271 1.00 73.24 H new ATOM 0 HD3 PRO A 63 16.200 -9.487 24.682 1.00 73.24 H new ATOM 915 N LEU A 64 14.457 -7.718 20.036 1.00 53.22 N ATOM 916 CA LEU A 64 13.496 -7.757 18.938 1.00 25.42 C ATOM 917 C LEU A 64 13.055 -6.350 18.550 1.00 51.01 C ATOM 918 O LEU A 64 13.488 -5.366 19.149 1.00 12.33 O ATOM 919 CB LEU A 64 12.279 -8.596 19.330 1.00 72.41 C ATOM 920 CG LEU A 64 11.763 -8.406 20.757 1.00 64.02 C ATOM 921 CD1 LEU A 64 10.263 -8.159 20.754 1.00 72.41 C ATOM 922 CD2 LEU A 64 12.105 -9.617 21.613 1.00 2.43 C ATOM 0 H LEU A 64 14.693 -6.779 20.356 1.00 53.22 H new ATOM 0 HA LEU A 64 13.983 -8.215 18.077 1.00 25.42 H new ATOM 0 HB2 LEU A 64 11.468 -8.368 18.639 1.00 72.41 H new ATOM 0 HB3 LEU A 64 12.529 -9.648 19.193 1.00 72.41 H new ATOM 0 HG LEU A 64 12.253 -7.532 21.187 1.00 64.02 H new ATOM 0 HD11 LEU A 64 9.914 -8.026 21.778 1.00 72.41 H new ATOM 0 HD12 LEU A 64 10.043 -7.261 20.176 1.00 72.41 H new ATOM 0 HD13 LEU A 64 9.755 -9.012 20.305 1.00 72.41 H new ATOM 0 HD21 LEU A 64 11.730 -9.465 22.625 1.00 2.43 H new ATOM 0 HD22 LEU A 64 11.643 -10.507 21.185 1.00 2.43 H new ATOM 0 HD23 LEU A 64 13.187 -9.748 21.642 1.00 2.43 H new ATOM 934 N TRP A 65 12.190 -6.263 17.546 1.00 62.12 N ATOM 935 CA TRP A 65 11.688 -4.976 17.079 1.00 1.41 C ATOM 936 C TRP A 65 10.367 -4.628 17.757 1.00 62.42 C ATOM 937 O TRP A 65 9.981 -5.255 18.744 1.00 54.41 O ATOM 938 CB TRP A 65 11.507 -4.996 15.560 1.00 35.05 C ATOM 939 CG TRP A 65 12.634 -5.667 14.836 1.00 4.33 C ATOM 940 CD1 TRP A 65 12.540 -6.707 13.957 1.00 21.41 C ATOM 941 CD2 TRP A 65 14.026 -5.344 14.931 1.00 0.12 C ATOM 942 NE1 TRP A 65 13.789 -7.051 13.500 1.00 64.14 N ATOM 943 CE2 TRP A 65 14.718 -6.229 14.081 1.00 31.04 C ATOM 944 CE3 TRP A 65 14.755 -4.392 15.649 1.00 32.14 C ATOM 945 CZ2 TRP A 65 16.102 -6.189 13.933 1.00 33.44 C ATOM 946 CZ3 TRP A 65 16.128 -4.354 15.502 1.00 62.33 C ATOM 947 CH2 TRP A 65 16.790 -5.248 14.649 1.00 41.53 C ATOM 0 H TRP A 65 11.822 -7.068 17.040 1.00 62.12 H new ATOM 0 HA TRP A 65 12.421 -4.212 17.340 1.00 1.41 H new ATOM 0 HB2 TRP A 65 10.575 -5.507 15.319 1.00 35.05 H new ATOM 0 HB3 TRP A 65 11.412 -3.972 15.199 1.00 35.05 H new ATOM 0 HD1 TRP A 65 11.619 -7.189 13.664 1.00 21.41 H new ATOM 0 HE1 TRP A 65 13.992 -7.798 12.835 1.00 64.14 H new ATOM 0 HE3 TRP A 65 14.254 -3.698 16.307 1.00 32.14 H new ATOM 0 HZ2 TRP A 65 16.614 -6.877 13.276 1.00 33.44 H new ATOM 0 HZ3 TRP A 65 16.701 -3.623 16.053 1.00 62.33 H new ATOM 0 HH2 TRP A 65 17.865 -5.193 14.555 1.00 41.53 H new ATOM 958 N LYS A 66 9.678 -3.627 17.221 1.00 13.12 N ATOM 959 CA LYS A 66 8.398 -3.197 17.773 1.00 4.21 C ATOM 960 C LYS A 66 7.488 -2.652 16.677 1.00 64.23 C ATOM 961 O LYS A 66 7.923 -2.441 15.544 1.00 24.22 O ATOM 962 CB LYS A 66 8.616 -2.129 18.847 1.00 3.41 C ATOM 963 CG LYS A 66 8.210 -2.575 20.241 1.00 71.53 C ATOM 964 CD LYS A 66 7.650 -1.421 21.055 1.00 21.43 C ATOM 965 CE LYS A 66 6.154 -1.574 21.282 1.00 11.43 C ATOM 966 NZ LYS A 66 5.361 -0.772 20.309 1.00 31.42 N ATOM 0 H LYS A 66 9.984 -3.098 16.405 1.00 13.12 H new ATOM 0 HA LYS A 66 7.915 -4.064 18.224 1.00 4.21 H new ATOM 0 HB2 LYS A 66 9.669 -1.846 18.858 1.00 3.41 H new ATOM 0 HB3 LYS A 66 8.049 -1.237 18.581 1.00 3.41 H new ATOM 0 HG2 LYS A 66 7.463 -3.366 20.168 1.00 71.53 H new ATOM 0 HG3 LYS A 66 9.073 -2.998 20.754 1.00 71.53 H new ATOM 0 HD2 LYS A 66 8.162 -1.370 22.016 1.00 21.43 H new ATOM 0 HD3 LYS A 66 7.847 -0.481 20.539 1.00 21.43 H new ATOM 0 HE2 LYS A 66 5.879 -2.625 21.196 1.00 11.43 H new ATOM 0 HE3 LYS A 66 5.907 -1.262 22.297 1.00 11.43 H new ATOM 0 HZ1 LYS A 66 4.346 -0.929 20.475 1.00 31.42 H new ATOM 0 HZ2 LYS A 66 5.579 0.237 20.432 1.00 31.42 H new ATOM 0 HZ3 LYS A 66 5.603 -1.063 19.340 1.00 31.42 H new ATOM 980 N ILE A 67 6.225 -2.426 17.021 1.00 42.30 N ATOM 981 CA ILE A 67 5.256 -1.903 16.066 1.00 33.22 C ATOM 982 C ILE A 67 4.776 -0.514 16.474 1.00 31.52 C ATOM 983 O ILE A 67 4.644 -0.216 17.661 1.00 40.03 O ATOM 984 CB ILE A 67 4.038 -2.836 15.933 1.00 73.31 C ATOM 985 CG1 ILE A 67 3.390 -3.064 17.300 1.00 11.42 C ATOM 986 CG2 ILE A 67 4.451 -4.161 15.310 1.00 61.23 C ATOM 987 CD1 ILE A 67 1.963 -3.560 17.218 1.00 43.20 C ATOM 0 H ILE A 67 5.849 -2.597 17.954 1.00 42.30 H new ATOM 0 HA ILE A 67 5.763 -1.841 15.103 1.00 33.22 H new ATOM 0 HB ILE A 67 3.306 -2.361 15.279 1.00 73.31 H new ATOM 0 HG12 ILE A 67 3.985 -3.786 17.859 1.00 11.42 H new ATOM 0 HG13 ILE A 67 3.410 -2.131 17.863 1.00 11.42 H new ATOM 0 HG21 ILE A 67 3.579 -4.809 15.223 1.00 61.23 H new ATOM 0 HG22 ILE A 67 4.871 -3.982 14.320 1.00 61.23 H new ATOM 0 HG23 ILE A 67 5.199 -4.642 15.940 1.00 61.23 H new ATOM 0 HD11 ILE A 67 1.568 -3.699 18.224 1.00 43.20 H new ATOM 0 HD12 ILE A 67 1.354 -2.829 16.687 1.00 43.20 H new ATOM 0 HD13 ILE A 67 1.938 -4.510 16.684 1.00 43.20 H new ATOM 999 N ALA A 68 4.514 0.330 15.482 1.00 5.41 N ATOM 1000 CA ALA A 68 4.045 1.687 15.737 1.00 22.44 C ATOM 1001 C ALA A 68 2.819 2.012 14.891 1.00 62.32 C ATOM 1002 O ALA A 68 2.306 3.131 14.929 1.00 60.24 O ATOM 1003 CB ALA A 68 5.157 2.689 15.467 1.00 51.52 C ATOM 0 H ALA A 68 4.618 0.098 14.494 1.00 5.41 H new ATOM 0 HA ALA A 68 3.758 1.755 16.786 1.00 22.44 H new ATOM 0 HB1 ALA A 68 4.793 3.698 15.661 1.00 51.52 H new ATOM 0 HB2 ALA A 68 6.004 2.477 16.119 1.00 51.52 H new ATOM 0 HB3 ALA A 68 5.472 2.611 14.426 1.00 51.52 H new TER 1009 ALA A 68