USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 GLN : amide:sc= -0.671 X(o=-2.6,f=-2.1) USER MOD Set 1.2: A 80 GLN : amide:sc= -1.94 K(o=-2.6,f=-3.8!) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -122:sc= 0.14! (180deg=-3.15!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00933 USER MOD Single : A 30 LYS NZ :NH3+ -100:sc= 1.21 (180deg=-0.0579) USER MOD Single : A 31 SER OG : rot -110:sc= -0.406 USER MOD Single : A 36 LYS NZ :NH3+ -145:sc= 1.24 (180deg=0.118) USER MOD Single : A 37 LYS NZ :NH3+ -153:sc= -0.211 (180deg=-0.97) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.505 F(o=-1.1,f=-0.51) USER MOD Single : A 43 LYS NZ :NH3+ 156:sc= 0.38! (180deg=-0.89!) USER MOD Single : A 47 GLN : amide:sc= -2.73 K(o=-2.7,f=-7.8!) USER MOD Single : A 53 LYS NZ :NH3+ -133:sc= 1.22 (180deg=-0.0857) USER MOD Single : A 58 ASN : amide:sc= 0.0197 K(o=0.02,f=-6.2!) USER MOD Single : A 60 TYR OH : rot 150:sc= 1.02 USER MOD Single : A 63 TYR OH : rot 130:sc= -0.535 USER MOD Single : A 74 LYS NZ :NH3+ -143:sc= 1.27 (180deg=-0.305) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.938 F(o=-4.4!,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 20 3.063 -2.677 -0.520 1.00 1.60 N ATOM 2 CA MET A 20 4.012 -2.292 -1.608 1.00 2.10 C ATOM 3 C MET A 20 4.525 -0.881 -1.274 1.00 1.69 C ATOM 4 O MET A 20 3.823 -0.177 -0.577 1.00 1.49 O ATOM 5 CB MET A 20 3.254 -2.311 -2.961 1.00 2.79 C ATOM 6 CG MET A 20 2.840 -3.769 -3.256 1.00 2.88 C ATOM 7 SD MET A 20 1.709 -4.566 -2.085 1.00 2.16 S ATOM 8 CE MET A 20 0.820 -5.622 -3.257 1.00 2.37 C ATOM 0 HA MET A 20 4.853 -2.981 -1.686 1.00 2.10 H new ATOM 0 HB2 MET A 20 2.375 -1.667 -2.915 1.00 2.79 H new ATOM 0 HB3 MET A 20 3.889 -1.926 -3.759 1.00 2.79 H new ATOM 0 HG2 MET A 20 2.377 -3.795 -4.243 1.00 2.88 H new ATOM 0 HG3 MET A 20 3.746 -4.372 -3.313 1.00 2.88 H new ATOM 0 HE1 MET A 20 0.067 -6.203 -2.724 1.00 2.37 H new ATOM 0 HE2 MET A 20 0.334 -5.001 -4.010 1.00 2.37 H new ATOM 0 HE3 MET A 20 1.523 -6.298 -3.743 1.00 2.37 H new ATOM 20 N LYS A 21 5.678 -0.495 -1.739 1.00 1.59 N ATOM 21 CA LYS A 21 6.185 0.875 -1.418 1.00 1.24 C ATOM 22 C LYS A 21 6.097 1.718 -2.665 1.00 1.22 C ATOM 23 O LYS A 21 6.147 1.237 -3.778 1.00 1.33 O ATOM 24 CB LYS A 21 7.588 0.656 -0.881 1.00 1.05 C ATOM 25 CG LYS A 21 8.024 1.888 -0.068 1.00 1.45 C ATOM 26 CD LYS A 21 8.895 1.423 1.132 1.00 1.46 C ATOM 27 CE LYS A 21 9.994 0.469 0.704 1.00 1.33 C ATOM 28 NZ LYS A 21 10.901 1.191 -0.199 1.00 2.02 N ATOM 0 H LYS A 21 6.292 -1.062 -2.324 1.00 1.59 H new ATOM 0 HA LYS A 21 5.611 1.421 -0.669 1.00 1.24 H new ATOM 0 HB2 LYS A 21 7.614 -0.235 -0.254 1.00 1.05 H new ATOM 0 HB3 LYS A 21 8.282 0.486 -1.704 1.00 1.05 H new ATOM 0 HG2 LYS A 21 8.589 2.574 -0.699 1.00 1.45 H new ATOM 0 HG3 LYS A 21 7.149 2.431 0.290 1.00 1.45 H new ATOM 0 HD2 LYS A 21 9.339 2.293 1.616 1.00 1.46 H new ATOM 0 HD3 LYS A 21 8.261 0.936 1.872 1.00 1.46 H new ATOM 0 HE2 LYS A 21 10.537 0.100 1.574 1.00 1.33 H new ATOM 0 HE3 LYS A 21 9.569 -0.400 0.201 1.00 1.33 H new ATOM 0 HZ1 LYS A 21 10.947 0.697 -1.113 1.00 2.02 H new ATOM 0 HZ2 LYS A 21 10.548 2.158 -0.345 1.00 2.02 H new ATOM 0 HZ3 LYS A 21 11.851 1.230 0.222 1.00 2.02 H new ATOM 42 N THR A 22 5.955 2.975 -2.385 1.00 1.13 N ATOM 43 CA THR A 22 5.838 4.041 -3.422 1.00 1.14 C ATOM 44 C THR A 22 7.021 4.955 -3.430 1.00 0.92 C ATOM 45 O THR A 22 7.246 5.645 -4.403 1.00 0.88 O ATOM 46 CB THR A 22 4.632 4.863 -3.150 1.00 1.28 C ATOM 47 OG1 THR A 22 4.828 5.250 -1.794 1.00 1.23 O ATOM 48 CG2 THR A 22 3.412 3.959 -3.116 1.00 1.49 C ATOM 0 H THR A 22 5.913 3.330 -1.430 1.00 1.13 H new ATOM 0 HA THR A 22 5.774 3.542 -4.389 1.00 1.14 H new ATOM 0 HB THR A 22 4.498 5.666 -3.875 1.00 1.28 H new ATOM 0 HG1 THR A 22 4.078 5.809 -1.502 1.00 1.23 H new ATOM 0 HG21 THR A 22 2.522 4.556 -2.917 1.00 1.49 H new ATOM 0 HG22 THR A 22 3.304 3.457 -4.078 1.00 1.49 H new ATOM 0 HG23 THR A 22 3.533 3.214 -2.329 1.00 1.49 H new ATOM 56 N GLU A 23 7.719 4.934 -2.332 1.00 0.81 N ATOM 57 CA GLU A 23 8.943 5.812 -2.234 1.00 0.62 C ATOM 58 C GLU A 23 10.145 4.994 -1.739 1.00 0.57 C ATOM 59 O GLU A 23 10.004 4.006 -1.033 1.00 0.54 O ATOM 60 CB GLU A 23 8.739 6.968 -1.223 1.00 0.58 C ATOM 61 CG GLU A 23 7.528 7.918 -1.539 1.00 0.82 C ATOM 62 CD GLU A 23 7.476 9.120 -0.572 1.00 0.91 C ATOM 63 OE1 GLU A 23 8.492 9.385 0.049 1.00 1.54 O ATOM 64 OE2 GLU A 23 6.432 9.753 -0.504 1.00 1.45 O ATOM 0 H GLU A 23 7.513 4.366 -1.510 1.00 0.81 H new ATOM 0 HA GLU A 23 9.118 6.215 -3.231 1.00 0.62 H new ATOM 0 HB2 GLU A 23 8.598 6.542 -0.230 1.00 0.58 H new ATOM 0 HB3 GLU A 23 9.650 7.565 -1.187 1.00 0.58 H new ATOM 0 HG2 GLU A 23 7.607 8.279 -2.564 1.00 0.82 H new ATOM 0 HG3 GLU A 23 6.597 7.355 -1.470 1.00 0.82 H new ATOM 71 N TRP A 24 11.338 5.389 -2.092 1.00 0.62 N ATOM 72 CA TRP A 24 12.519 4.603 -1.615 1.00 0.59 C ATOM 73 C TRP A 24 13.666 5.333 -0.906 1.00 0.48 C ATOM 74 O TRP A 24 14.777 5.357 -1.401 1.00 0.47 O ATOM 75 CB TRP A 24 12.960 3.862 -2.867 1.00 0.70 C ATOM 76 CG TRP A 24 11.961 2.761 -3.143 1.00 0.76 C ATOM 77 CD1 TRP A 24 12.072 1.549 -2.568 1.00 0.81 C ATOM 78 CD2 TRP A 24 10.842 2.822 -3.902 1.00 0.79 C ATOM 79 NE1 TRP A 24 10.993 0.935 -3.006 1.00 0.87 N ATOM 80 CE2 TRP A 24 10.204 1.615 -3.805 1.00 0.85 C ATOM 81 CE3 TRP A 24 10.280 3.797 -4.704 1.00 0.78 C ATOM 82 CZ2 TRP A 24 9.039 1.360 -4.462 1.00 0.87 C ATOM 83 CZ3 TRP A 24 9.094 3.537 -5.378 1.00 0.79 C ATOM 84 CH2 TRP A 24 8.475 2.325 -5.254 1.00 0.83 C ATOM 0 H TRP A 24 11.547 6.200 -2.675 1.00 0.62 H new ATOM 0 HA TRP A 24 12.213 3.972 -0.780 1.00 0.59 H new ATOM 0 HB2 TRP A 24 13.015 4.546 -3.714 1.00 0.70 H new ATOM 0 HB3 TRP A 24 13.957 3.444 -2.730 1.00 0.70 H new ATOM 0 HD1 TRP A 24 12.847 1.176 -1.915 1.00 0.81 H new ATOM 0 HE1 TRP A 24 10.780 -0.025 -2.737 1.00 0.87 H new ATOM 0 HE3 TRP A 24 10.762 4.758 -4.806 1.00 0.78 H new ATOM 0 HZ2 TRP A 24 8.560 0.398 -4.359 1.00 0.87 H new ATOM 0 HZ3 TRP A 24 8.657 4.299 -6.006 1.00 0.79 H new ATOM 0 HH2 TRP A 24 7.550 2.130 -5.776 1.00 0.83 H new ATOM 95 N PRO A 25 13.410 5.908 0.249 1.00 0.42 N ATOM 96 CA PRO A 25 14.510 6.556 1.053 1.00 0.38 C ATOM 97 C PRO A 25 15.660 5.526 1.171 1.00 0.39 C ATOM 98 O PRO A 25 16.813 5.770 0.902 1.00 0.43 O ATOM 99 CB PRO A 25 13.782 6.947 2.373 1.00 0.33 C ATOM 100 CG PRO A 25 12.515 6.023 2.394 1.00 0.31 C ATOM 101 CD PRO A 25 12.080 5.968 0.918 1.00 0.41 C ATOM 0 HA PRO A 25 14.988 7.445 0.641 1.00 0.38 H new ATOM 0 HB2 PRO A 25 14.415 6.777 3.244 1.00 0.33 H new ATOM 0 HB3 PRO A 25 13.507 8.002 2.380 1.00 0.33 H new ATOM 0 HG2 PRO A 25 12.749 5.031 2.780 1.00 0.31 H new ATOM 0 HG3 PRO A 25 11.730 6.434 3.028 1.00 0.31 H new ATOM 0 HD2 PRO A 25 11.465 5.095 0.699 1.00 0.41 H new ATOM 0 HD3 PRO A 25 11.505 6.845 0.622 1.00 0.41 H new ATOM 109 N GLU A 26 15.196 4.388 1.556 1.00 0.39 N ATOM 110 CA GLU A 26 15.944 3.116 1.790 1.00 0.36 C ATOM 111 C GLU A 26 17.203 2.848 0.912 1.00 0.24 C ATOM 112 O GLU A 26 18.161 2.220 1.323 1.00 0.16 O ATOM 113 CB GLU A 26 14.843 2.113 1.604 1.00 0.58 C ATOM 114 CG GLU A 26 15.339 0.681 1.679 1.00 0.79 C ATOM 115 CD GLU A 26 14.239 -0.304 1.265 1.00 0.83 C ATOM 116 OE1 GLU A 26 13.100 0.109 1.083 1.00 1.16 O ATOM 117 OE2 GLU A 26 14.641 -1.442 1.148 1.00 1.29 O ATOM 0 H GLU A 26 14.200 4.271 1.743 1.00 0.39 H new ATOM 0 HA GLU A 26 16.435 3.103 2.763 1.00 0.36 H new ATOM 0 HB2 GLU A 26 14.081 2.270 2.367 1.00 0.58 H new ATOM 0 HB3 GLU A 26 14.366 2.278 0.638 1.00 0.58 H new ATOM 0 HG2 GLU A 26 16.206 0.558 1.029 1.00 0.79 H new ATOM 0 HG3 GLU A 26 15.668 0.459 2.694 1.00 0.79 H new ATOM 124 N LEU A 27 17.159 3.340 -0.292 1.00 0.30 N ATOM 125 CA LEU A 27 18.278 3.153 -1.265 1.00 0.29 C ATOM 126 C LEU A 27 18.949 4.422 -1.818 1.00 0.33 C ATOM 127 O LEU A 27 19.755 4.328 -2.729 1.00 0.43 O ATOM 128 CB LEU A 27 17.675 2.238 -2.394 1.00 0.44 C ATOM 129 CG LEU A 27 16.235 2.677 -2.762 1.00 0.97 C ATOM 130 CD1 LEU A 27 16.306 3.992 -3.511 1.00 1.98 C ATOM 131 CD2 LEU A 27 15.562 1.663 -3.659 1.00 1.83 C ATOM 0 H LEU A 27 16.374 3.880 -0.656 1.00 0.30 H new ATOM 0 HA LEU A 27 19.125 2.704 -0.746 1.00 0.29 H new ATOM 0 HB2 LEU A 27 18.309 2.283 -3.279 1.00 0.44 H new ATOM 0 HB3 LEU A 27 17.667 1.201 -2.060 1.00 0.44 H new ATOM 0 HG LEU A 27 15.660 2.770 -1.841 1.00 0.97 H new ATOM 0 HD11 LEU A 27 15.299 4.314 -3.777 1.00 1.98 H new ATOM 0 HD12 LEU A 27 16.773 4.747 -2.878 1.00 1.98 H new ATOM 0 HD13 LEU A 27 16.897 3.863 -4.418 1.00 1.98 H new ATOM 0 HD21 LEU A 27 14.554 2.001 -3.898 1.00 1.83 H new ATOM 0 HD22 LEU A 27 16.136 1.554 -4.579 1.00 1.83 H new ATOM 0 HD23 LEU A 27 15.510 0.702 -3.147 1.00 1.83 H new ATOM 143 N VAL A 28 18.658 5.584 -1.295 1.00 0.37 N ATOM 144 CA VAL A 28 19.341 6.791 -1.858 1.00 0.56 C ATOM 145 C VAL A 28 20.788 6.560 -1.378 1.00 0.59 C ATOM 146 O VAL A 28 21.014 6.281 -0.217 1.00 0.71 O ATOM 147 CB VAL A 28 18.729 8.072 -1.251 1.00 0.72 C ATOM 148 CG1 VAL A 28 19.290 9.267 -2.038 1.00 1.05 C ATOM 149 CG2 VAL A 28 17.207 8.067 -1.451 1.00 0.55 C ATOM 0 H VAL A 28 18.003 5.751 -0.531 1.00 0.37 H new ATOM 0 HA VAL A 28 19.255 6.917 -2.937 1.00 0.56 H new ATOM 0 HB VAL A 28 18.965 8.129 -0.188 1.00 0.72 H new ATOM 0 HG11 VAL A 28 18.878 10.193 -1.636 1.00 1.05 H new ATOM 0 HG12 VAL A 28 20.376 9.284 -1.949 1.00 1.05 H new ATOM 0 HG13 VAL A 28 19.014 9.173 -3.088 1.00 1.05 H new ATOM 0 HG21 VAL A 28 16.781 8.973 -1.021 1.00 0.55 H new ATOM 0 HG22 VAL A 28 16.980 8.030 -2.516 1.00 0.55 H new ATOM 0 HG23 VAL A 28 16.778 7.195 -0.958 1.00 0.55 H new ATOM 159 N GLY A 29 21.724 6.674 -2.273 1.00 0.57 N ATOM 160 CA GLY A 29 23.162 6.448 -1.909 1.00 0.57 C ATOM 161 C GLY A 29 23.605 5.044 -2.359 1.00 0.58 C ATOM 162 O GLY A 29 24.735 4.659 -2.136 1.00 0.67 O ATOM 0 H GLY A 29 21.562 6.916 -3.251 1.00 0.57 H new ATOM 0 HA2 GLY A 29 23.788 7.205 -2.381 1.00 0.57 H new ATOM 0 HA3 GLY A 29 23.294 6.552 -0.832 1.00 0.57 H new ATOM 166 N LYS A 30 22.712 4.303 -2.970 1.00 0.48 N ATOM 167 CA LYS A 30 23.023 2.923 -3.464 1.00 0.50 C ATOM 168 C LYS A 30 23.051 2.841 -5.005 1.00 0.52 C ATOM 169 O LYS A 30 22.537 3.715 -5.681 1.00 0.68 O ATOM 170 CB LYS A 30 21.942 2.008 -2.876 1.00 0.35 C ATOM 171 CG LYS A 30 22.113 2.000 -1.326 1.00 0.49 C ATOM 172 CD LYS A 30 22.445 0.572 -0.882 1.00 0.60 C ATOM 173 CE LYS A 30 21.191 -0.309 -0.855 1.00 1.47 C ATOM 174 NZ LYS A 30 21.630 -1.702 -0.528 1.00 1.55 N ATOM 0 H LYS A 30 21.755 4.605 -3.152 1.00 0.48 H new ATOM 0 HA LYS A 30 24.021 2.621 -3.146 1.00 0.50 H new ATOM 0 HB2 LYS A 30 20.949 2.366 -3.149 1.00 0.35 H new ATOM 0 HB3 LYS A 30 22.038 0.998 -3.276 1.00 0.35 H new ATOM 0 HG2 LYS A 30 22.908 2.684 -1.029 1.00 0.49 H new ATOM 0 HG3 LYS A 30 21.199 2.345 -0.842 1.00 0.49 H new ATOM 0 HD2 LYS A 30 23.181 0.140 -1.560 1.00 0.60 H new ATOM 0 HD3 LYS A 30 22.898 0.593 0.109 1.00 0.60 H new ATOM 0 HE2 LYS A 30 20.482 0.055 -0.111 1.00 1.47 H new ATOM 0 HE3 LYS A 30 20.683 -0.283 -1.819 1.00 1.47 H new ATOM 0 HZ1 LYS A 30 21.681 -2.264 -1.402 1.00 1.55 H new ATOM 0 HZ2 LYS A 30 22.568 -1.674 -0.079 1.00 1.55 H new ATOM 0 HZ3 LYS A 30 20.947 -2.137 0.124 1.00 1.55 H new ATOM 188 N SER A 31 23.637 1.777 -5.507 1.00 0.49 N ATOM 189 CA SER A 31 23.719 1.604 -6.997 1.00 0.44 C ATOM 190 C SER A 31 22.313 1.506 -7.549 1.00 0.37 C ATOM 191 O SER A 31 21.428 0.905 -6.965 1.00 0.32 O ATOM 192 CB SER A 31 24.453 0.294 -7.419 1.00 0.41 C ATOM 193 OG SER A 31 23.561 -0.793 -7.150 1.00 0.47 O ATOM 0 H SER A 31 24.058 1.028 -4.957 1.00 0.49 H new ATOM 0 HA SER A 31 24.274 2.459 -7.383 1.00 0.44 H new ATOM 0 HB2 SER A 31 24.717 0.324 -8.476 1.00 0.41 H new ATOM 0 HB3 SER A 31 25.383 0.177 -6.862 1.00 0.41 H new ATOM 0 HG SER A 31 23.904 -1.319 -6.398 1.00 0.47 H new ATOM 199 N VAL A 32 22.117 2.116 -8.676 1.00 0.38 N ATOM 200 CA VAL A 32 20.762 2.039 -9.258 1.00 0.32 C ATOM 201 C VAL A 32 20.270 0.577 -9.345 1.00 0.21 C ATOM 202 O VAL A 32 19.179 0.303 -8.892 1.00 0.23 O ATOM 203 CB VAL A 32 20.867 2.783 -10.605 1.00 0.38 C ATOM 204 CG1 VAL A 32 21.811 2.085 -11.617 1.00 0.33 C ATOM 205 CG2 VAL A 32 19.445 2.929 -11.121 1.00 0.43 C ATOM 0 H VAL A 32 22.810 2.647 -9.203 1.00 0.38 H new ATOM 0 HA VAL A 32 19.996 2.512 -8.643 1.00 0.32 H new ATOM 0 HB VAL A 32 21.328 3.761 -10.466 1.00 0.38 H new ATOM 0 HG11 VAL A 32 21.840 2.659 -12.543 1.00 0.33 H new ATOM 0 HG12 VAL A 32 22.815 2.024 -11.196 1.00 0.33 H new ATOM 0 HG13 VAL A 32 21.443 1.080 -11.824 1.00 0.33 H new ATOM 0 HG21 VAL A 32 19.457 3.451 -12.078 1.00 0.43 H new ATOM 0 HG22 VAL A 32 19.002 1.942 -11.252 1.00 0.43 H new ATOM 0 HG23 VAL A 32 18.854 3.499 -10.404 1.00 0.43 H new ATOM 215 N GLU A 33 21.014 -0.351 -9.885 1.00 0.23 N ATOM 216 CA GLU A 33 20.499 -1.747 -9.935 1.00 0.31 C ATOM 217 C GLU A 33 20.126 -2.185 -8.505 1.00 0.35 C ATOM 218 O GLU A 33 19.096 -2.798 -8.305 1.00 0.50 O ATOM 219 CB GLU A 33 21.590 -2.650 -10.579 1.00 0.40 C ATOM 220 CG GLU A 33 21.753 -2.302 -12.126 1.00 0.77 C ATOM 221 CD GLU A 33 20.437 -2.358 -12.938 1.00 1.26 C ATOM 222 OE1 GLU A 33 19.638 -1.445 -12.774 1.00 1.41 O ATOM 223 OE2 GLU A 33 20.298 -3.311 -13.682 1.00 1.96 O ATOM 0 H GLU A 33 21.940 -0.206 -10.287 1.00 0.23 H new ATOM 0 HA GLU A 33 19.600 -1.829 -10.546 1.00 0.31 H new ATOM 0 HB2 GLU A 33 22.540 -2.507 -10.065 1.00 0.40 H new ATOM 0 HB3 GLU A 33 21.319 -3.699 -10.462 1.00 0.40 H new ATOM 0 HG2 GLU A 33 22.180 -1.303 -12.218 1.00 0.77 H new ATOM 0 HG3 GLU A 33 22.468 -2.996 -12.568 1.00 0.77 H new ATOM 230 N GLU A 34 20.914 -1.884 -7.501 1.00 0.33 N ATOM 231 CA GLU A 34 20.495 -2.321 -6.117 1.00 0.49 C ATOM 232 C GLU A 34 19.129 -1.642 -5.867 1.00 0.48 C ATOM 233 O GLU A 34 18.138 -2.251 -5.529 1.00 0.56 O ATOM 234 CB GLU A 34 21.549 -1.834 -5.093 1.00 0.59 C ATOM 235 CG GLU A 34 22.566 -2.979 -4.712 1.00 1.03 C ATOM 236 CD GLU A 34 21.958 -3.959 -3.698 1.00 0.84 C ATOM 237 OE1 GLU A 34 21.460 -3.409 -2.726 1.00 1.42 O ATOM 238 OE2 GLU A 34 22.022 -5.155 -3.926 1.00 1.65 O ATOM 0 H GLU A 34 21.796 -1.376 -7.565 1.00 0.33 H new ATOM 0 HA GLU A 34 20.418 -3.404 -6.020 1.00 0.49 H new ATOM 0 HB2 GLU A 34 22.094 -0.986 -5.508 1.00 0.59 H new ATOM 0 HB3 GLU A 34 21.046 -1.480 -4.193 1.00 0.59 H new ATOM 0 HG2 GLU A 34 22.859 -3.520 -5.611 1.00 1.03 H new ATOM 0 HG3 GLU A 34 23.472 -2.538 -4.295 1.00 1.03 H new ATOM 245 N ALA A 35 19.082 -0.361 -6.038 1.00 0.41 N ATOM 246 CA ALA A 35 17.809 0.376 -5.827 1.00 0.42 C ATOM 247 C ALA A 35 16.640 -0.326 -6.512 1.00 0.43 C ATOM 248 O ALA A 35 15.549 -0.429 -5.989 1.00 0.57 O ATOM 249 CB ALA A 35 18.014 1.781 -6.379 1.00 0.35 C ATOM 0 H ALA A 35 19.875 0.217 -6.317 1.00 0.41 H new ATOM 0 HA ALA A 35 17.559 0.413 -4.767 1.00 0.42 H new ATOM 0 HB1 ALA A 35 17.101 2.361 -6.245 1.00 0.35 H new ATOM 0 HB2 ALA A 35 18.833 2.265 -5.847 1.00 0.35 H new ATOM 0 HB3 ALA A 35 18.255 1.723 -7.440 1.00 0.35 H new ATOM 255 N LYS A 36 16.926 -0.815 -7.675 1.00 0.36 N ATOM 256 CA LYS A 36 15.901 -1.530 -8.482 1.00 0.42 C ATOM 257 C LYS A 36 15.519 -2.772 -7.741 1.00 0.54 C ATOM 258 O LYS A 36 14.362 -2.996 -7.487 1.00 0.57 O ATOM 259 CB LYS A 36 16.478 -1.903 -9.823 1.00 0.49 C ATOM 260 CG LYS A 36 16.789 -0.638 -10.603 1.00 0.35 C ATOM 261 CD LYS A 36 16.579 -1.030 -12.020 1.00 0.69 C ATOM 262 CE LYS A 36 16.859 0.102 -12.921 1.00 0.87 C ATOM 263 NZ LYS A 36 16.213 -0.320 -14.194 1.00 2.10 N ATOM 0 H LYS A 36 17.844 -0.751 -8.114 1.00 0.36 H new ATOM 0 HA LYS A 36 15.030 -0.893 -8.640 1.00 0.42 H new ATOM 0 HB2 LYS A 36 17.384 -2.495 -9.690 1.00 0.49 H new ATOM 0 HB3 LYS A 36 15.772 -2.521 -10.377 1.00 0.49 H new ATOM 0 HG2 LYS A 36 16.131 0.181 -10.314 1.00 0.35 H new ATOM 0 HG3 LYS A 36 17.811 -0.303 -10.429 1.00 0.35 H new ATOM 0 HD2 LYS A 36 17.228 -1.869 -12.270 1.00 0.69 H new ATOM 0 HD3 LYS A 36 15.552 -1.368 -12.161 1.00 0.69 H new ATOM 0 HE2 LYS A 36 16.437 1.033 -12.543 1.00 0.87 H new ATOM 0 HE3 LYS A 36 17.930 0.264 -13.045 1.00 0.87 H new ATOM 0 HZ1 LYS A 36 16.777 0.019 -14.999 1.00 2.10 H new ATOM 0 HZ2 LYS A 36 16.154 -1.358 -14.226 1.00 2.10 H new ATOM 0 HZ3 LYS A 36 15.256 0.083 -14.248 1.00 2.10 H new ATOM 277 N LYS A 37 16.490 -3.559 -7.399 1.00 0.61 N ATOM 278 CA LYS A 37 16.228 -4.820 -6.656 1.00 0.72 C ATOM 279 C LYS A 37 15.281 -4.496 -5.490 1.00 0.73 C ATOM 280 O LYS A 37 14.345 -5.223 -5.223 1.00 0.80 O ATOM 281 CB LYS A 37 17.600 -5.361 -6.194 1.00 0.80 C ATOM 282 CG LYS A 37 17.855 -5.104 -4.719 1.00 2.17 C ATOM 283 CD LYS A 37 19.217 -5.663 -4.310 1.00 2.41 C ATOM 284 CE LYS A 37 19.213 -7.170 -4.061 1.00 1.94 C ATOM 285 NZ LYS A 37 18.221 -7.446 -2.970 1.00 2.82 N ATOM 0 H LYS A 37 17.473 -3.382 -7.605 1.00 0.61 H new ATOM 0 HA LYS A 37 15.743 -5.587 -7.260 1.00 0.72 H new ATOM 0 HB2 LYS A 37 17.649 -6.433 -6.387 1.00 0.80 H new ATOM 0 HB3 LYS A 37 18.389 -4.894 -6.783 1.00 0.80 H new ATOM 0 HG2 LYS A 37 17.819 -4.033 -4.518 1.00 2.17 H new ATOM 0 HG3 LYS A 37 17.070 -5.567 -4.121 1.00 2.17 H new ATOM 0 HD2 LYS A 37 19.943 -5.435 -5.091 1.00 2.41 H new ATOM 0 HD3 LYS A 37 19.551 -5.155 -3.405 1.00 2.41 H new ATOM 0 HE2 LYS A 37 18.942 -7.708 -4.970 1.00 1.94 H new ATOM 0 HE3 LYS A 37 20.206 -7.513 -3.771 1.00 1.94 H new ATOM 0 HZ1 LYS A 37 18.493 -8.313 -2.465 1.00 2.82 H new ATOM 0 HZ2 LYS A 37 18.207 -6.648 -2.304 1.00 2.82 H new ATOM 0 HZ3 LYS A 37 17.275 -7.569 -3.384 1.00 2.82 H new ATOM 299 N VAL A 38 15.568 -3.394 -4.845 1.00 0.69 N ATOM 300 CA VAL A 38 14.717 -2.966 -3.685 1.00 0.75 C ATOM 301 C VAL A 38 13.321 -2.612 -4.200 1.00 0.67 C ATOM 302 O VAL A 38 12.327 -3.199 -3.839 1.00 0.61 O ATOM 303 CB VAL A 38 15.419 -1.763 -3.048 1.00 0.74 C ATOM 304 CG1 VAL A 38 14.462 -1.075 -2.078 1.00 0.78 C ATOM 305 CG2 VAL A 38 16.695 -2.174 -2.290 1.00 0.89 C ATOM 0 H VAL A 38 16.347 -2.774 -5.066 1.00 0.69 H new ATOM 0 HA VAL A 38 14.596 -3.752 -2.940 1.00 0.75 H new ATOM 0 HB VAL A 38 15.708 -1.085 -3.851 1.00 0.74 H new ATOM 0 HG11 VAL A 38 14.959 -0.218 -1.623 1.00 0.78 H new ATOM 0 HG12 VAL A 38 13.577 -0.737 -2.618 1.00 0.78 H new ATOM 0 HG13 VAL A 38 14.165 -1.778 -1.300 1.00 0.78 H new ATOM 0 HG21 VAL A 38 17.160 -1.290 -1.854 1.00 0.89 H new ATOM 0 HG22 VAL A 38 16.437 -2.876 -1.497 1.00 0.89 H new ATOM 0 HG23 VAL A 38 17.392 -2.648 -2.981 1.00 0.89 H new ATOM 315 N ILE A 39 13.252 -1.647 -5.058 1.00 0.68 N ATOM 316 CA ILE A 39 11.944 -1.211 -5.633 1.00 0.61 C ATOM 317 C ILE A 39 11.127 -2.405 -6.080 1.00 0.66 C ATOM 318 O ILE A 39 9.933 -2.413 -5.897 1.00 0.70 O ATOM 319 CB ILE A 39 12.330 -0.256 -6.727 1.00 0.50 C ATOM 320 CG1 ILE A 39 12.828 0.962 -5.898 1.00 0.49 C ATOM 321 CG2 ILE A 39 11.079 0.112 -7.604 1.00 0.47 C ATOM 322 CD1 ILE A 39 13.688 1.923 -6.645 1.00 0.42 C ATOM 0 H ILE A 39 14.060 -1.125 -5.398 1.00 0.68 H new ATOM 0 HA ILE A 39 11.283 -0.715 -4.922 1.00 0.61 H new ATOM 0 HB ILE A 39 13.066 -0.640 -7.433 1.00 0.50 H new ATOM 0 HG12 ILE A 39 11.961 1.498 -5.511 1.00 0.49 H new ATOM 0 HG13 ILE A 39 13.385 0.593 -5.037 1.00 0.49 H new ATOM 0 HG21 ILE A 39 11.377 0.804 -8.391 1.00 0.47 H new ATOM 0 HG22 ILE A 39 10.670 -0.793 -8.053 1.00 0.47 H new ATOM 0 HG23 ILE A 39 10.320 0.581 -6.977 1.00 0.47 H new ATOM 0 HD11 ILE A 39 13.984 2.737 -5.983 1.00 0.42 H new ATOM 0 HD12 ILE A 39 14.578 1.409 -7.009 1.00 0.42 H new ATOM 0 HD13 ILE A 39 13.132 2.328 -7.491 1.00 0.42 H new ATOM 334 N LEU A 40 11.777 -3.373 -6.665 1.00 0.67 N ATOM 335 CA LEU A 40 11.066 -4.595 -7.119 1.00 0.68 C ATOM 336 C LEU A 40 10.613 -5.291 -5.831 1.00 0.79 C ATOM 337 O LEU A 40 9.463 -5.634 -5.712 1.00 0.94 O ATOM 338 CB LEU A 40 12.024 -5.529 -7.913 1.00 0.71 C ATOM 339 CG LEU A 40 12.418 -4.945 -9.272 1.00 0.55 C ATOM 340 CD1 LEU A 40 13.132 -6.056 -10.038 1.00 0.68 C ATOM 341 CD2 LEU A 40 11.182 -4.530 -10.091 1.00 0.45 C ATOM 0 H LEU A 40 12.780 -3.367 -6.848 1.00 0.67 H new ATOM 0 HA LEU A 40 10.234 -4.354 -7.781 1.00 0.68 H new ATOM 0 HB2 LEU A 40 12.923 -5.708 -7.323 1.00 0.71 H new ATOM 0 HB3 LEU A 40 11.543 -6.496 -8.062 1.00 0.71 H new ATOM 0 HG LEU A 40 13.040 -4.063 -9.119 1.00 0.55 H new ATOM 0 HD11 LEU A 40 13.434 -5.686 -11.018 1.00 0.68 H new ATOM 0 HD12 LEU A 40 14.015 -6.372 -9.482 1.00 0.68 H new ATOM 0 HD13 LEU A 40 12.458 -6.904 -10.162 1.00 0.68 H new ATOM 0 HD21 LEU A 40 11.501 -4.120 -11.049 1.00 0.45 H new ATOM 0 HD22 LEU A 40 10.549 -5.401 -10.262 1.00 0.45 H new ATOM 0 HD23 LEU A 40 10.619 -3.775 -9.543 1.00 0.45 H new ATOM 353 N GLN A 41 11.496 -5.487 -4.889 1.00 0.75 N ATOM 354 CA GLN A 41 11.121 -6.159 -3.600 1.00 0.86 C ATOM 355 C GLN A 41 9.768 -5.591 -3.090 1.00 0.87 C ATOM 356 O GLN A 41 8.863 -6.280 -2.672 1.00 0.94 O ATOM 357 CB GLN A 41 12.289 -5.903 -2.568 1.00 0.91 C ATOM 358 CG GLN A 41 11.891 -4.853 -1.462 1.00 2.82 C ATOM 359 CD GLN A 41 13.004 -4.437 -0.531 1.00 3.09 C ATOM 360 OE1 GLN A 41 12.890 -3.266 0.007 1.00 2.94 O flip ATOM 361 NE2 GLN A 41 13.962 -5.137 -0.278 1.00 3.60 N flip ATOM 0 H GLN A 41 12.475 -5.208 -4.954 1.00 0.75 H new ATOM 0 HA GLN A 41 10.991 -7.233 -3.735 1.00 0.86 H new ATOM 0 HB2 GLN A 41 12.562 -6.844 -2.091 1.00 0.91 H new ATOM 0 HB3 GLN A 41 13.171 -5.549 -3.102 1.00 0.91 H new ATOM 0 HG2 GLN A 41 11.501 -3.962 -1.955 1.00 2.82 H new ATOM 0 HG3 GLN A 41 11.079 -5.269 -0.866 1.00 2.82 H new ATOM 0 HE21 GLN A 41 14.047 -6.059 -0.705 1.00 3.60 H new ATOM 0 HE22 GLN A 41 14.683 -4.803 0.362 1.00 3.60 H new ATOM 370 N ASP A 42 9.728 -4.295 -3.166 1.00 0.80 N ATOM 371 CA ASP A 42 8.574 -3.454 -2.750 1.00 0.88 C ATOM 372 C ASP A 42 7.372 -3.402 -3.725 1.00 0.98 C ATOM 373 O ASP A 42 6.207 -3.380 -3.375 1.00 1.35 O ATOM 374 CB ASP A 42 9.205 -2.094 -2.540 1.00 0.77 C ATOM 375 CG ASP A 42 10.154 -2.035 -1.345 1.00 0.75 C ATOM 376 OD1 ASP A 42 9.943 -2.756 -0.389 1.00 0.52 O ATOM 377 OD2 ASP A 42 11.058 -1.224 -1.460 1.00 1.46 O ATOM 0 H ASP A 42 10.508 -3.746 -3.527 1.00 0.80 H new ATOM 0 HA ASP A 42 8.096 -3.875 -1.865 1.00 0.88 H new ATOM 0 HB2 ASP A 42 9.751 -1.814 -3.441 1.00 0.77 H new ATOM 0 HB3 ASP A 42 8.416 -1.355 -2.403 1.00 0.77 H new ATOM 382 N LYS A 43 7.749 -3.354 -4.954 1.00 0.66 N ATOM 383 CA LYS A 43 6.833 -3.292 -6.106 1.00 0.65 C ATOM 384 C LYS A 43 7.311 -4.276 -7.226 1.00 0.57 C ATOM 385 O LYS A 43 7.753 -3.846 -8.270 1.00 0.47 O ATOM 386 CB LYS A 43 6.864 -1.794 -6.447 1.00 0.58 C ATOM 387 CG LYS A 43 5.735 -1.499 -7.398 1.00 0.62 C ATOM 388 CD LYS A 43 5.675 0.026 -7.642 1.00 0.59 C ATOM 389 CE LYS A 43 4.691 0.238 -8.723 1.00 0.61 C ATOM 390 NZ LYS A 43 3.358 -0.270 -8.256 1.00 1.59 N ATOM 0 H LYS A 43 8.732 -3.355 -5.225 1.00 0.66 H new ATOM 0 HA LYS A 43 5.808 -3.621 -5.938 1.00 0.65 H new ATOM 0 HB2 LYS A 43 6.762 -1.197 -5.541 1.00 0.58 H new ATOM 0 HB3 LYS A 43 7.820 -1.528 -6.899 1.00 0.58 H new ATOM 0 HG2 LYS A 43 5.887 -2.026 -8.340 1.00 0.62 H new ATOM 0 HG3 LYS A 43 4.791 -1.852 -6.984 1.00 0.62 H new ATOM 0 HD2 LYS A 43 5.376 0.553 -6.736 1.00 0.59 H new ATOM 0 HD3 LYS A 43 6.654 0.412 -7.927 1.00 0.59 H new ATOM 0 HE2 LYS A 43 4.626 1.297 -8.975 1.00 0.61 H new ATOM 0 HE3 LYS A 43 5.001 -0.286 -9.627 1.00 0.61 H new ATOM 0 HZ1 LYS A 43 2.600 0.209 -8.783 1.00 1.59 H new ATOM 0 HZ2 LYS A 43 3.300 -1.295 -8.421 1.00 1.59 H new ATOM 0 HZ3 LYS A 43 3.249 -0.076 -7.240 1.00 1.59 H new ATOM 404 N PRO A 44 7.203 -5.564 -6.971 1.00 0.71 N ATOM 405 CA PRO A 44 7.862 -6.654 -7.772 1.00 0.80 C ATOM 406 C PRO A 44 7.786 -6.546 -9.292 1.00 0.67 C ATOM 407 O PRO A 44 8.682 -6.948 -10.005 1.00 0.89 O ATOM 408 CB PRO A 44 7.210 -7.924 -7.209 1.00 0.98 C ATOM 409 CG PRO A 44 7.023 -7.538 -5.729 1.00 1.09 C ATOM 410 CD PRO A 44 6.407 -6.143 -5.848 1.00 0.88 C ATOM 0 HA PRO A 44 8.945 -6.616 -7.657 1.00 0.80 H new ATOM 0 HB2 PRO A 44 6.262 -8.150 -7.697 1.00 0.98 H new ATOM 0 HB3 PRO A 44 7.847 -8.800 -7.328 1.00 0.98 H new ATOM 0 HG2 PRO A 44 6.366 -8.232 -5.205 1.00 1.09 H new ATOM 0 HG3 PRO A 44 7.969 -7.523 -5.187 1.00 1.09 H new ATOM 0 HD2 PRO A 44 5.342 -6.182 -6.077 1.00 0.88 H new ATOM 0 HD3 PRO A 44 6.514 -5.567 -4.929 1.00 0.88 H new ATOM 418 N GLU A 45 6.697 -5.998 -9.722 1.00 0.42 N ATOM 419 CA GLU A 45 6.381 -5.788 -11.161 1.00 0.53 C ATOM 420 C GLU A 45 6.854 -4.427 -11.721 1.00 0.51 C ATOM 421 O GLU A 45 6.945 -4.238 -12.923 1.00 1.05 O ATOM 422 CB GLU A 45 4.851 -5.910 -11.301 1.00 0.48 C ATOM 423 CG GLU A 45 4.216 -7.149 -10.534 1.00 1.27 C ATOM 424 CD GLU A 45 3.811 -6.861 -9.065 1.00 1.55 C ATOM 425 OE1 GLU A 45 4.267 -5.880 -8.494 1.00 1.73 O ATOM 426 OE2 GLU A 45 3.043 -7.683 -8.593 1.00 2.02 O ATOM 0 H GLU A 45 5.964 -5.665 -9.096 1.00 0.42 H new ATOM 0 HA GLU A 45 6.919 -6.536 -11.743 1.00 0.53 H new ATOM 0 HB2 GLU A 45 4.391 -4.994 -10.930 1.00 0.48 H new ATOM 0 HB3 GLU A 45 4.601 -5.987 -12.359 1.00 0.48 H new ATOM 0 HG2 GLU A 45 3.335 -7.485 -11.081 1.00 1.27 H new ATOM 0 HG3 GLU A 45 4.931 -7.972 -10.545 1.00 1.27 H new ATOM 433 N ALA A 46 7.141 -3.527 -10.824 1.00 0.16 N ATOM 434 CA ALA A 46 7.595 -2.162 -11.188 1.00 0.13 C ATOM 435 C ALA A 46 8.541 -2.059 -12.380 1.00 0.18 C ATOM 436 O ALA A 46 9.585 -2.687 -12.389 1.00 0.42 O ATOM 437 CB ALA A 46 8.285 -1.527 -9.962 1.00 0.34 C ATOM 0 H ALA A 46 7.076 -3.690 -9.819 1.00 0.16 H new ATOM 0 HA ALA A 46 6.690 -1.638 -11.495 1.00 0.13 H new ATOM 0 HB1 ALA A 46 8.624 -0.523 -10.215 1.00 0.34 H new ATOM 0 HB2 ALA A 46 7.578 -1.473 -9.134 1.00 0.34 H new ATOM 0 HB3 ALA A 46 9.141 -2.136 -9.670 1.00 0.34 H new ATOM 443 N GLN A 47 8.207 -1.275 -13.371 1.00 0.36 N ATOM 444 CA GLN A 47 9.138 -1.158 -14.516 1.00 0.73 C ATOM 445 C GLN A 47 9.902 0.019 -13.856 1.00 0.63 C ATOM 446 O GLN A 47 9.418 1.115 -13.629 1.00 0.63 O ATOM 447 CB GLN A 47 8.318 -0.801 -15.793 1.00 1.05 C ATOM 448 CG GLN A 47 8.727 0.583 -16.300 1.00 1.97 C ATOM 449 CD GLN A 47 8.150 0.965 -17.657 1.00 1.83 C ATOM 450 OE1 GLN A 47 8.268 2.090 -18.081 1.00 2.66 O ATOM 451 NE2 GLN A 47 7.517 0.142 -18.422 1.00 1.37 N ATOM 0 H GLN A 47 7.350 -0.725 -13.433 1.00 0.36 H new ATOM 0 HA GLN A 47 9.746 -1.993 -14.865 1.00 0.73 H new ATOM 0 HB2 GLN A 47 8.490 -1.548 -16.568 1.00 1.05 H new ATOM 0 HB3 GLN A 47 7.252 -0.816 -15.568 1.00 1.05 H new ATOM 0 HG2 GLN A 47 8.418 1.328 -15.567 1.00 1.97 H new ATOM 0 HG3 GLN A 47 9.815 0.626 -16.359 1.00 1.97 H new ATOM 0 HE21 GLN A 47 7.380 -0.825 -18.128 1.00 1.37 H new ATOM 0 HE22 GLN A 47 7.154 0.458 -19.321 1.00 1.37 H new ATOM 460 N ILE A 48 11.121 -0.258 -13.526 1.00 0.56 N ATOM 461 CA ILE A 48 11.964 0.777 -12.864 1.00 0.36 C ATOM 462 C ILE A 48 12.792 1.554 -13.881 1.00 0.52 C ATOM 463 O ILE A 48 13.780 1.073 -14.413 1.00 0.80 O ATOM 464 CB ILE A 48 12.850 0.041 -11.830 1.00 0.40 C ATOM 465 CG1 ILE A 48 11.945 -0.951 -11.015 1.00 0.42 C ATOM 466 CG2 ILE A 48 13.406 1.093 -10.856 1.00 0.33 C ATOM 467 CD1 ILE A 48 12.700 -1.590 -9.857 1.00 0.55 C ATOM 0 H ILE A 48 11.578 -1.156 -13.683 1.00 0.56 H new ATOM 0 HA ILE A 48 11.344 1.521 -12.364 1.00 0.36 H new ATOM 0 HB ILE A 48 13.656 -0.500 -12.326 1.00 0.40 H new ATOM 0 HG12 ILE A 48 11.076 -0.417 -10.631 1.00 0.42 H new ATOM 0 HG13 ILE A 48 11.572 -1.731 -11.679 1.00 0.42 H new ATOM 0 HG21 ILE A 48 14.036 0.604 -10.113 1.00 0.33 H new ATOM 0 HG22 ILE A 48 13.997 1.824 -11.408 1.00 0.33 H new ATOM 0 HG23 ILE A 48 12.580 1.598 -10.355 1.00 0.33 H new ATOM 0 HD11 ILE A 48 12.037 -2.268 -9.320 1.00 0.55 H new ATOM 0 HD12 ILE A 48 13.554 -2.147 -10.243 1.00 0.55 H new ATOM 0 HD13 ILE A 48 13.050 -0.813 -9.178 1.00 0.55 H new ATOM 479 N ILE A 49 12.329 2.755 -14.073 1.00 0.46 N ATOM 480 CA ILE A 49 12.922 3.742 -15.013 1.00 0.60 C ATOM 481 C ILE A 49 14.008 4.515 -14.291 1.00 0.60 C ATOM 482 O ILE A 49 14.024 4.571 -13.081 1.00 0.59 O ATOM 483 CB ILE A 49 11.813 4.645 -15.429 1.00 0.64 C ATOM 484 CG1 ILE A 49 10.893 3.760 -16.293 1.00 0.59 C ATOM 485 CG2 ILE A 49 12.344 5.945 -16.105 1.00 0.84 C ATOM 486 CD1 ILE A 49 9.899 4.617 -16.931 1.00 0.40 C ATOM 0 H ILE A 49 11.509 3.112 -13.582 1.00 0.46 H new ATOM 0 HA ILE A 49 13.371 3.267 -15.885 1.00 0.60 H new ATOM 0 HB ILE A 49 11.242 5.050 -14.593 1.00 0.64 H new ATOM 0 HG12 ILE A 49 11.475 3.229 -17.046 1.00 0.59 H new ATOM 0 HG13 ILE A 49 10.404 3.005 -15.677 1.00 0.59 H new ATOM 0 HG21 ILE A 49 11.503 6.575 -16.393 1.00 0.84 H new ATOM 0 HG22 ILE A 49 12.979 6.486 -15.404 1.00 0.84 H new ATOM 0 HG23 ILE A 49 12.922 5.684 -16.992 1.00 0.84 H new ATOM 0 HD11 ILE A 49 9.237 4.009 -17.548 1.00 0.40 H new ATOM 0 HD12 ILE A 49 9.314 5.128 -16.166 1.00 0.40 H new ATOM 0 HD13 ILE A 49 10.402 5.355 -17.556 1.00 0.40 H new ATOM 498 N VAL A 50 14.903 5.106 -15.021 1.00 0.62 N ATOM 499 CA VAL A 50 15.996 5.891 -14.423 1.00 0.62 C ATOM 500 C VAL A 50 16.047 7.266 -15.123 1.00 0.74 C ATOM 501 O VAL A 50 15.992 7.320 -16.337 1.00 0.95 O ATOM 502 CB VAL A 50 17.342 5.140 -14.619 1.00 0.64 C ATOM 503 CG1 VAL A 50 18.412 5.813 -13.757 1.00 0.59 C ATOM 504 CG2 VAL A 50 17.255 3.661 -14.175 1.00 0.63 C ATOM 0 H VAL A 50 14.918 5.073 -16.040 1.00 0.62 H new ATOM 0 HA VAL A 50 15.826 6.027 -13.355 1.00 0.62 H new ATOM 0 HB VAL A 50 17.585 5.176 -15.681 1.00 0.64 H new ATOM 0 HG11 VAL A 50 19.362 5.295 -13.886 1.00 0.59 H new ATOM 0 HG12 VAL A 50 18.522 6.854 -14.061 1.00 0.59 H new ATOM 0 HG13 VAL A 50 18.115 5.771 -12.709 1.00 0.59 H new ATOM 0 HG21 VAL A 50 18.219 3.177 -14.331 1.00 0.63 H new ATOM 0 HG22 VAL A 50 16.991 3.613 -13.118 1.00 0.63 H new ATOM 0 HG23 VAL A 50 16.493 3.149 -14.763 1.00 0.63 H new ATOM 514 N LEU A 51 16.129 8.311 -14.354 1.00 0.67 N ATOM 515 CA LEU A 51 16.205 9.704 -14.868 1.00 0.88 C ATOM 516 C LEU A 51 17.329 10.348 -14.042 1.00 0.91 C ATOM 517 O LEU A 51 17.940 9.687 -13.216 1.00 0.71 O ATOM 518 CB LEU A 51 14.864 10.470 -14.633 1.00 0.92 C ATOM 519 CG LEU A 51 14.567 10.681 -13.127 1.00 0.85 C ATOM 520 CD1 LEU A 51 13.687 11.933 -12.953 1.00 1.07 C ATOM 521 CD2 LEU A 51 13.727 9.504 -12.648 1.00 0.87 C ATOM 0 H LEU A 51 16.147 8.251 -13.336 1.00 0.67 H new ATOM 0 HA LEU A 51 16.390 9.732 -15.942 1.00 0.88 H new ATOM 0 HB2 LEU A 51 14.908 11.438 -15.132 1.00 0.92 H new ATOM 0 HB3 LEU A 51 14.045 9.914 -15.089 1.00 0.92 H new ATOM 0 HG LEU A 51 15.504 10.778 -12.579 1.00 0.85 H new ATOM 0 HD11 LEU A 51 13.476 12.085 -11.895 1.00 1.07 H new ATOM 0 HD12 LEU A 51 14.211 12.804 -13.347 1.00 1.07 H new ATOM 0 HD13 LEU A 51 12.751 11.798 -13.494 1.00 1.07 H new ATOM 0 HD21 LEU A 51 13.502 9.625 -11.588 1.00 0.87 H new ATOM 0 HD22 LEU A 51 12.797 9.466 -13.215 1.00 0.87 H new ATOM 0 HD23 LEU A 51 14.281 8.577 -12.798 1.00 0.87 H new ATOM 533 N GLU A 52 17.528 11.608 -14.298 1.00 1.20 N ATOM 534 CA GLU A 52 18.572 12.409 -13.603 1.00 1.33 C ATOM 535 C GLU A 52 18.358 12.479 -12.036 1.00 1.31 C ATOM 536 O GLU A 52 17.778 11.659 -11.354 1.00 1.34 O ATOM 537 CB GLU A 52 18.541 13.863 -14.262 1.00 1.35 C ATOM 538 CG GLU A 52 18.585 13.916 -15.833 1.00 1.77 C ATOM 539 CD GLU A 52 18.377 15.361 -16.365 1.00 2.17 C ATOM 540 OE1 GLU A 52 18.919 16.270 -15.750 1.00 1.79 O ATOM 541 OE2 GLU A 52 17.689 15.493 -17.361 1.00 3.07 O ATOM 0 H GLU A 52 16.990 12.135 -14.986 1.00 1.20 H new ATOM 0 HA GLU A 52 19.546 11.935 -13.728 1.00 1.33 H new ATOM 0 HB2 GLU A 52 17.637 14.371 -13.928 1.00 1.35 H new ATOM 0 HB3 GLU A 52 19.387 14.432 -13.876 1.00 1.35 H new ATOM 0 HG2 GLU A 52 19.544 13.534 -16.183 1.00 1.77 H new ATOM 0 HG3 GLU A 52 17.813 13.263 -16.241 1.00 1.77 H new ATOM 548 N LYS A 53 18.903 13.561 -11.583 1.00 1.47 N ATOM 549 CA LYS A 53 18.976 14.103 -10.201 1.00 1.71 C ATOM 550 C LYS A 53 17.572 14.333 -9.586 1.00 1.42 C ATOM 551 O LYS A 53 16.566 13.828 -10.057 1.00 1.09 O ATOM 552 CB LYS A 53 19.799 15.443 -10.316 1.00 1.99 C ATOM 553 CG LYS A 53 19.192 16.325 -11.484 1.00 3.26 C ATOM 554 CD LYS A 53 19.786 17.762 -11.531 1.00 3.51 C ATOM 555 CE LYS A 53 19.362 18.461 -12.848 1.00 5.25 C ATOM 556 NZ LYS A 53 20.241 17.967 -13.960 1.00 6.18 N ATOM 0 H LYS A 53 19.377 14.190 -12.231 1.00 1.47 H new ATOM 0 HA LYS A 53 19.459 13.397 -9.525 1.00 1.71 H new ATOM 0 HB2 LYS A 53 19.761 15.989 -9.374 1.00 1.99 H new ATOM 0 HB3 LYS A 53 20.848 15.224 -10.516 1.00 1.99 H new ATOM 0 HG2 LYS A 53 19.375 15.831 -12.438 1.00 3.26 H new ATOM 0 HG3 LYS A 53 18.111 16.388 -11.360 1.00 3.26 H new ATOM 0 HD2 LYS A 53 19.437 18.338 -10.674 1.00 3.51 H new ATOM 0 HD3 LYS A 53 20.873 17.719 -11.465 1.00 3.51 H new ATOM 0 HE2 LYS A 53 18.316 18.247 -13.070 1.00 5.25 H new ATOM 0 HE3 LYS A 53 19.452 19.543 -12.748 1.00 5.25 H new ATOM 0 HZ1 LYS A 53 20.583 18.776 -14.517 1.00 6.18 H new ATOM 0 HZ2 LYS A 53 21.052 17.454 -13.559 1.00 6.18 H new ATOM 0 HZ3 LYS A 53 19.697 17.328 -14.575 1.00 6.18 H new ATOM 570 N GLN A 54 17.574 15.107 -8.528 1.00 1.76 N ATOM 571 CA GLN A 54 16.320 15.468 -7.793 1.00 1.95 C ATOM 572 C GLN A 54 15.491 16.442 -8.671 1.00 1.63 C ATOM 573 O GLN A 54 15.296 17.605 -8.383 1.00 1.87 O ATOM 574 CB GLN A 54 16.723 16.122 -6.457 1.00 2.54 C ATOM 575 CG GLN A 54 17.710 17.333 -6.625 1.00 2.95 C ATOM 576 CD GLN A 54 18.003 17.988 -5.271 1.00 3.43 C ATOM 577 OE1 GLN A 54 18.830 18.863 -5.157 1.00 4.29 O ATOM 578 NE2 GLN A 54 17.367 17.621 -4.204 1.00 3.29 N ATOM 0 H GLN A 54 18.420 15.516 -8.131 1.00 1.76 H new ATOM 0 HA GLN A 54 15.709 14.589 -7.587 1.00 1.95 H new ATOM 0 HB2 GLN A 54 15.825 16.464 -5.943 1.00 2.54 H new ATOM 0 HB3 GLN A 54 17.188 15.370 -5.819 1.00 2.54 H new ATOM 0 HG2 GLN A 54 18.641 16.990 -7.077 1.00 2.95 H new ATOM 0 HG3 GLN A 54 17.278 18.068 -7.304 1.00 2.95 H new ATOM 0 HE21 GLN A 54 16.662 16.886 -4.258 1.00 3.29 H new ATOM 0 HE22 GLN A 54 17.571 18.067 -3.310 1.00 3.29 H new ATOM 587 N ALA A 55 15.031 15.890 -9.748 1.00 1.19 N ATOM 588 CA ALA A 55 14.217 16.632 -10.740 1.00 1.11 C ATOM 589 C ALA A 55 12.748 16.212 -10.622 1.00 1.82 C ATOM 590 O ALA A 55 12.132 16.176 -9.567 1.00 3.49 O ATOM 591 CB ALA A 55 14.913 16.314 -12.113 1.00 0.70 C ATOM 0 H ALA A 55 15.193 14.913 -9.992 1.00 1.19 H new ATOM 0 HA ALA A 55 14.180 17.712 -10.599 1.00 1.11 H new ATOM 0 HB1 ALA A 55 14.380 16.822 -12.917 1.00 0.70 H new ATOM 0 HB2 ALA A 55 15.946 16.661 -12.086 1.00 0.70 H new ATOM 0 HB3 ALA A 55 14.896 15.238 -12.289 1.00 0.70 H new ATOM 597 N VAL A 56 12.253 15.929 -11.778 1.00 0.95 N ATOM 598 CA VAL A 56 10.849 15.496 -11.877 1.00 1.23 C ATOM 599 C VAL A 56 10.553 13.992 -11.718 1.00 3.09 C ATOM 600 O VAL A 56 10.799 13.129 -12.546 1.00 3.89 O ATOM 601 CB VAL A 56 10.285 15.987 -13.220 1.00 0.91 C ATOM 602 CG1 VAL A 56 10.887 15.295 -14.468 1.00 2.42 C ATOM 603 CG2 VAL A 56 8.801 15.659 -13.163 1.00 1.22 C ATOM 0 H VAL A 56 12.760 15.979 -12.662 1.00 0.95 H new ATOM 0 HA VAL A 56 10.363 15.943 -11.010 1.00 1.23 H new ATOM 0 HB VAL A 56 10.522 17.045 -13.334 1.00 0.91 H new ATOM 0 HG11 VAL A 56 10.429 15.705 -15.368 1.00 2.42 H new ATOM 0 HG12 VAL A 56 11.963 15.468 -14.497 1.00 2.42 H new ATOM 0 HG13 VAL A 56 10.693 14.223 -14.419 1.00 2.42 H new ATOM 0 HG21 VAL A 56 8.322 15.979 -14.088 1.00 1.22 H new ATOM 0 HG22 VAL A 56 8.670 14.584 -13.040 1.00 1.22 H new ATOM 0 HG23 VAL A 56 8.346 16.179 -12.320 1.00 1.22 H new ATOM 613 N ASP A 57 10.013 13.783 -10.559 1.00 4.36 N ATOM 614 CA ASP A 57 9.572 12.452 -10.072 1.00 6.32 C ATOM 615 C ASP A 57 8.173 12.792 -9.470 1.00 6.70 C ATOM 616 O ASP A 57 7.708 12.265 -8.483 1.00 7.75 O ATOM 617 CB ASP A 57 10.636 11.965 -9.018 1.00 7.85 C ATOM 618 CG ASP A 57 10.463 10.476 -8.663 1.00 9.28 C ATOM 619 OD1 ASP A 57 9.502 9.879 -9.110 1.00 9.68 O ATOM 620 OD2 ASP A 57 11.313 9.993 -7.949 1.00 10.10 O ATOM 0 H ASP A 57 9.849 14.531 -9.886 1.00 4.36 H new ATOM 0 HA ASP A 57 9.496 11.645 -10.801 1.00 6.32 H new ATOM 0 HB2 ASP A 57 11.638 12.128 -9.414 1.00 7.85 H new ATOM 0 HB3 ASP A 57 10.549 12.565 -8.112 1.00 7.85 H new ATOM 625 N ASN A 58 7.544 13.727 -10.134 1.00 5.94 N ATOM 626 CA ASN A 58 6.193 14.240 -9.735 1.00 6.49 C ATOM 627 C ASN A 58 5.374 14.789 -10.900 1.00 5.79 C ATOM 628 O ASN A 58 4.288 14.350 -11.228 1.00 6.01 O ATOM 629 CB ASN A 58 6.519 15.285 -8.602 1.00 7.19 C ATOM 630 CG ASN A 58 7.893 15.896 -8.903 1.00 5.99 C ATOM 631 OD1 ASN A 58 8.050 16.591 -9.880 1.00 5.02 O ATOM 632 ND2 ASN A 58 8.925 15.667 -8.152 1.00 6.10 N ATOM 0 H ASN A 58 7.924 14.174 -10.968 1.00 5.94 H new ATOM 0 HA ASN A 58 5.531 13.452 -9.376 1.00 6.49 H new ATOM 0 HB2 ASN A 58 5.755 16.062 -8.569 1.00 7.19 H new ATOM 0 HB3 ASN A 58 6.523 14.800 -7.626 1.00 7.19 H new ATOM 0 HD21 ASN A 58 9.831 16.069 -8.394 1.00 6.10 H new ATOM 0 HD22 ASN A 58 8.831 15.085 -7.319 1.00 6.10 H new ATOM 639 N ALA A 59 5.955 15.763 -11.505 1.00 5.06 N ATOM 640 CA ALA A 59 5.310 16.424 -12.668 1.00 4.57 C ATOM 641 C ALA A 59 5.729 15.617 -13.923 1.00 3.84 C ATOM 642 O ALA A 59 6.314 16.095 -14.872 1.00 3.85 O ATOM 643 CB ALA A 59 5.834 17.835 -12.581 1.00 4.58 C ATOM 0 H ALA A 59 6.865 16.143 -11.246 1.00 5.06 H new ATOM 0 HA ALA A 59 4.221 16.455 -12.700 1.00 4.57 H new ATOM 0 HB1 ALA A 59 5.422 18.427 -13.398 1.00 4.58 H new ATOM 0 HB2 ALA A 59 5.538 18.275 -11.629 1.00 4.58 H new ATOM 0 HB3 ALA A 59 6.922 17.824 -12.653 1.00 4.58 H new ATOM 649 N TYR A 60 5.373 14.365 -13.855 1.00 3.45 N ATOM 650 CA TYR A 60 5.683 13.407 -14.952 1.00 2.87 C ATOM 651 C TYR A 60 4.471 13.330 -15.888 1.00 1.58 C ATOM 652 O TYR A 60 3.772 14.302 -16.087 1.00 1.13 O ATOM 653 CB TYR A 60 6.045 12.068 -14.230 1.00 3.28 C ATOM 654 CG TYR A 60 6.612 10.962 -15.157 1.00 1.81 C ATOM 655 CD1 TYR A 60 7.050 11.198 -16.455 1.00 0.80 C ATOM 656 CD2 TYR A 60 6.685 9.673 -14.662 1.00 2.17 C ATOM 657 CE1 TYR A 60 7.541 10.156 -17.224 1.00 1.27 C ATOM 658 CE2 TYR A 60 7.181 8.645 -15.432 1.00 1.51 C ATOM 659 CZ TYR A 60 7.608 8.879 -16.713 1.00 1.33 C ATOM 660 OH TYR A 60 8.098 7.826 -17.451 1.00 2.48 O ATOM 0 H TYR A 60 4.869 13.957 -13.068 1.00 3.45 H new ATOM 0 HA TYR A 60 6.518 13.693 -15.592 1.00 2.87 H new ATOM 0 HB2 TYR A 60 6.776 12.279 -13.450 1.00 3.28 H new ATOM 0 HB3 TYR A 60 5.152 11.685 -13.735 1.00 3.28 H new ATOM 0 HD1 TYR A 60 7.007 12.196 -16.865 1.00 0.80 H new ATOM 0 HD2 TYR A 60 6.348 9.470 -13.656 1.00 2.17 H new ATOM 0 HE1 TYR A 60 7.874 10.347 -18.233 1.00 1.27 H new ATOM 0 HE2 TYR A 60 7.234 7.647 -15.023 1.00 1.51 H new ATOM 0 HH TYR A 60 8.509 7.169 -16.851 1.00 2.48 H new ATOM 670 N ALA A 61 4.285 12.178 -16.430 1.00 1.45 N ATOM 671 CA ALA A 61 3.162 11.922 -17.367 1.00 1.17 C ATOM 672 C ALA A 61 2.059 11.111 -16.661 1.00 1.01 C ATOM 673 O ALA A 61 2.010 11.020 -15.448 1.00 0.57 O ATOM 674 CB ALA A 61 3.788 11.186 -18.564 1.00 2.16 C ATOM 0 H ALA A 61 4.882 11.369 -16.261 1.00 1.45 H new ATOM 0 HA ALA A 61 2.672 12.834 -17.708 1.00 1.17 H new ATOM 0 HB1 ALA A 61 3.015 10.964 -19.299 1.00 2.16 H new ATOM 0 HB2 ALA A 61 4.552 11.816 -19.020 1.00 2.16 H new ATOM 0 HB3 ALA A 61 4.242 10.256 -18.222 1.00 2.16 H new ATOM 680 N GLU A 62 1.199 10.559 -17.468 1.00 1.93 N ATOM 681 CA GLU A 62 0.041 9.720 -17.008 1.00 2.62 C ATOM 682 C GLU A 62 0.486 8.772 -15.863 1.00 2.29 C ATOM 683 O GLU A 62 0.953 7.682 -16.134 1.00 2.41 O ATOM 684 CB GLU A 62 -0.499 8.865 -18.209 1.00 3.70 C ATOM 685 CG GLU A 62 -0.612 9.649 -19.568 1.00 4.29 C ATOM 686 CD GLU A 62 0.765 9.916 -20.183 1.00 4.82 C ATOM 687 OE1 GLU A 62 1.494 8.957 -20.378 1.00 5.48 O ATOM 688 OE2 GLU A 62 1.000 11.090 -20.403 1.00 4.91 O ATOM 0 H GLU A 62 1.250 10.657 -18.482 1.00 1.93 H new ATOM 0 HA GLU A 62 -0.746 10.378 -16.640 1.00 2.62 H new ATOM 0 HB2 GLU A 62 0.158 8.007 -18.352 1.00 3.70 H new ATOM 0 HB3 GLU A 62 -1.482 8.473 -17.947 1.00 3.70 H new ATOM 0 HG2 GLU A 62 -1.219 9.076 -20.269 1.00 4.29 H new ATOM 0 HG3 GLU A 62 -1.126 10.596 -19.401 1.00 4.29 H new ATOM 695 N TYR A 63 0.338 9.197 -14.627 1.00 2.04 N ATOM 696 CA TYR A 63 0.759 8.318 -13.475 1.00 1.80 C ATOM 697 C TYR A 63 0.403 6.849 -13.725 1.00 1.50 C ATOM 698 O TYR A 63 -0.767 6.504 -13.773 1.00 1.29 O ATOM 699 CB TYR A 63 0.054 8.762 -12.143 1.00 1.78 C ATOM 700 CG TYR A 63 0.162 7.632 -11.068 1.00 1.58 C ATOM 701 CD1 TYR A 63 1.256 7.504 -10.233 1.00 1.48 C ATOM 702 CD2 TYR A 63 -0.858 6.704 -10.947 1.00 2.03 C ATOM 703 CE1 TYR A 63 1.328 6.475 -9.302 1.00 1.27 C ATOM 704 CE2 TYR A 63 -0.793 5.679 -10.020 1.00 1.99 C ATOM 705 CZ TYR A 63 0.295 5.567 -9.194 1.00 1.31 C ATOM 706 OH TYR A 63 0.282 4.566 -8.246 1.00 1.29 O ATOM 0 H TYR A 63 -0.051 10.103 -14.364 1.00 2.04 H new ATOM 0 HA TYR A 63 1.840 8.424 -13.386 1.00 1.80 H new ATOM 0 HB2 TYR A 63 0.514 9.676 -11.767 1.00 1.78 H new ATOM 0 HB3 TYR A 63 -0.994 8.990 -12.337 1.00 1.78 H new ATOM 0 HD1 TYR A 63 2.067 8.214 -10.305 1.00 1.48 H new ATOM 0 HD2 TYR A 63 -1.723 6.782 -11.590 1.00 2.03 H new ATOM 0 HE1 TYR A 63 2.194 6.386 -8.662 1.00 1.27 H new ATOM 0 HE2 TYR A 63 -1.601 4.966 -9.947 1.00 1.99 H new ATOM 0 HH TYR A 63 -0.577 4.573 -7.775 1.00 1.29 H new ATOM 716 N ARG A 64 1.390 6.021 -13.884 1.00 1.50 N ATOM 717 CA ARG A 64 1.025 4.596 -14.117 1.00 1.27 C ATOM 718 C ARG A 64 1.601 3.774 -13.040 1.00 1.19 C ATOM 719 O ARG A 64 2.715 3.335 -13.137 1.00 1.38 O ATOM 720 CB ARG A 64 1.550 3.993 -15.420 1.00 1.58 C ATOM 721 CG ARG A 64 0.681 4.459 -16.585 1.00 1.82 C ATOM 722 CD ARG A 64 0.885 3.474 -17.717 1.00 2.93 C ATOM 723 NE ARG A 64 0.422 2.124 -17.204 1.00 3.50 N ATOM 724 CZ ARG A 64 -0.582 1.443 -17.600 1.00 4.29 C ATOM 725 NH1 ARG A 64 -0.922 1.440 -18.824 1.00 4.95 N ATOM 726 NH2 ARG A 64 -1.149 0.811 -16.656 1.00 4.56 N ATOM 0 H ARG A 64 2.385 6.247 -13.866 1.00 1.50 H new ATOM 0 HA ARG A 64 -0.064 4.592 -14.157 1.00 1.27 H new ATOM 0 HB2 ARG A 64 2.585 4.295 -15.581 1.00 1.58 H new ATOM 0 HB3 ARG A 64 1.541 2.905 -15.359 1.00 1.58 H new ATOM 0 HG2 ARG A 64 -0.368 4.496 -16.292 1.00 1.82 H new ATOM 0 HG3 ARG A 64 0.961 5.466 -16.896 1.00 1.82 H new ATOM 0 HD2 ARG A 64 0.314 3.771 -18.597 1.00 2.93 H new ATOM 0 HD3 ARG A 64 1.933 3.437 -18.015 1.00 2.93 H new ATOM 0 HE ARG A 64 0.978 1.712 -16.455 1.00 3.50 H new ATOM 0 HH11 ARG A 64 -0.391 1.986 -19.502 1.00 4.95 H new ATOM 0 HH12 ARG A 64 -1.726 0.892 -19.129 1.00 4.95 H new ATOM 0 HH21 ARG A 64 -0.789 0.884 -15.705 1.00 4.56 H new ATOM 0 HH22 ARG A 64 -1.965 0.230 -16.849 1.00 4.56 H new ATOM 740 N ILE A 65 0.818 3.600 -12.037 1.00 0.97 N ATOM 741 CA ILE A 65 1.178 2.794 -10.834 1.00 0.87 C ATOM 742 C ILE A 65 2.152 1.594 -11.056 1.00 0.71 C ATOM 743 O ILE A 65 2.688 1.071 -10.114 1.00 0.67 O ATOM 744 CB ILE A 65 -0.178 2.353 -10.236 1.00 0.87 C ATOM 745 CG1 ILE A 65 -0.036 1.481 -9.001 1.00 0.80 C ATOM 746 CG2 ILE A 65 -1.095 1.772 -11.312 1.00 0.83 C ATOM 747 CD1 ILE A 65 -1.367 1.577 -8.218 1.00 0.93 C ATOM 0 H ILE A 65 -0.117 4.004 -11.989 1.00 0.97 H new ATOM 0 HA ILE A 65 1.772 3.411 -10.159 1.00 0.87 H new ATOM 0 HB ILE A 65 -0.674 3.249 -9.864 1.00 0.87 H new ATOM 0 HG12 ILE A 65 0.172 0.448 -9.281 1.00 0.80 H new ATOM 0 HG13 ILE A 65 0.798 1.819 -8.385 1.00 0.80 H new ATOM 0 HG21 ILE A 65 -2.040 1.471 -10.861 1.00 0.83 H new ATOM 0 HG22 ILE A 65 -1.282 2.526 -12.077 1.00 0.83 H new ATOM 0 HG23 ILE A 65 -0.618 0.904 -11.767 1.00 0.83 H new ATOM 0 HD11 ILE A 65 -1.306 0.962 -7.320 1.00 0.93 H new ATOM 0 HD12 ILE A 65 -1.549 2.614 -7.936 1.00 0.93 H new ATOM 0 HD13 ILE A 65 -2.185 1.222 -8.846 1.00 0.93 H new ATOM 759 N ASP A 66 2.358 1.180 -12.266 1.00 0.67 N ATOM 760 CA ASP A 66 3.254 0.046 -12.673 1.00 0.53 C ATOM 761 C ASP A 66 4.727 0.506 -12.820 1.00 0.49 C ATOM 762 O ASP A 66 5.662 -0.275 -12.812 1.00 0.47 O ATOM 763 CB ASP A 66 2.737 -0.493 -14.023 1.00 0.65 C ATOM 764 CG ASP A 66 1.256 -0.229 -14.149 1.00 1.13 C ATOM 765 OD1 ASP A 66 0.484 -0.835 -13.441 1.00 1.80 O ATOM 766 OD2 ASP A 66 0.989 0.617 -14.978 1.00 1.24 O ATOM 0 H ASP A 66 1.902 1.619 -13.066 1.00 0.67 H new ATOM 0 HA ASP A 66 3.234 -0.727 -11.905 1.00 0.53 H new ATOM 0 HB2 ASP A 66 3.271 -0.015 -14.844 1.00 0.65 H new ATOM 0 HB3 ASP A 66 2.932 -1.563 -14.096 1.00 0.65 H new ATOM 771 N ARG A 67 4.936 1.780 -12.975 1.00 0.53 N ATOM 772 CA ARG A 67 6.338 2.297 -13.126 1.00 0.53 C ATOM 773 C ARG A 67 6.911 3.159 -11.992 1.00 0.53 C ATOM 774 O ARG A 67 6.220 3.873 -11.296 1.00 0.83 O ATOM 775 CB ARG A 67 6.360 3.089 -14.348 1.00 0.92 C ATOM 776 CG ARG A 67 5.768 2.278 -15.509 1.00 2.09 C ATOM 777 CD ARG A 67 5.921 3.144 -16.684 1.00 2.10 C ATOM 778 NE ARG A 67 5.084 4.333 -16.355 1.00 1.93 N ATOM 779 CZ ARG A 67 5.545 5.512 -16.344 1.00 1.12 C ATOM 780 NH1 ARG A 67 6.371 5.773 -17.255 1.00 2.43 N ATOM 781 NH2 ARG A 67 5.178 6.335 -15.453 1.00 0.99 N ATOM 0 H ARG A 67 4.205 2.491 -13.005 1.00 0.53 H new ATOM 0 HA ARG A 67 6.973 1.411 -13.126 1.00 0.53 H new ATOM 0 HB2 ARG A 67 5.790 4.007 -14.207 1.00 0.92 H new ATOM 0 HB3 ARG A 67 7.383 3.382 -14.583 1.00 0.92 H new ATOM 0 HG2 ARG A 67 6.296 1.333 -15.642 1.00 2.09 H new ATOM 0 HG3 ARG A 67 4.721 2.036 -15.329 1.00 2.09 H new ATOM 0 HD2 ARG A 67 6.963 3.420 -16.846 1.00 2.10 H new ATOM 0 HD3 ARG A 67 5.577 2.651 -17.593 1.00 2.10 H new ATOM 0 HE ARG A 67 4.099 4.191 -16.130 1.00 1.93 H new ATOM 0 HH11 ARG A 67 6.624 5.056 -17.935 1.00 2.43 H new ATOM 0 HH12 ARG A 67 6.788 6.702 -17.314 1.00 2.43 H new ATOM 0 HH21 ARG A 67 4.508 6.049 -14.739 1.00 0.99 H new ATOM 0 HH22 ARG A 67 5.553 7.284 -15.449 1.00 0.99 H new ATOM 795 N VAL A 68 8.200 3.064 -11.867 1.00 0.42 N ATOM 796 CA VAL A 68 8.932 3.848 -10.812 1.00 0.48 C ATOM 797 C VAL A 68 9.976 4.620 -11.603 1.00 0.57 C ATOM 798 O VAL A 68 10.405 4.204 -12.667 1.00 0.83 O ATOM 799 CB VAL A 68 9.657 2.906 -9.727 1.00 0.35 C ATOM 800 CG1 VAL A 68 10.457 3.762 -8.629 1.00 0.50 C ATOM 801 CG2 VAL A 68 8.563 2.154 -8.936 1.00 0.36 C ATOM 0 H VAL A 68 8.793 2.474 -12.451 1.00 0.42 H new ATOM 0 HA VAL A 68 8.250 4.476 -10.238 1.00 0.48 H new ATOM 0 HB VAL A 68 10.341 2.251 -10.267 1.00 0.35 H new ATOM 0 HG11 VAL A 68 10.931 3.087 -7.916 1.00 0.50 H new ATOM 0 HG12 VAL A 68 11.220 4.364 -9.122 1.00 0.50 H new ATOM 0 HG13 VAL A 68 9.763 4.417 -8.102 1.00 0.50 H new ATOM 0 HG21 VAL A 68 9.030 1.508 -8.193 1.00 0.36 H new ATOM 0 HG22 VAL A 68 7.916 2.874 -8.435 1.00 0.36 H new ATOM 0 HG23 VAL A 68 7.970 1.549 -9.621 1.00 0.36 H new ATOM 811 N ARG A 69 10.322 5.728 -11.040 1.00 0.39 N ATOM 812 CA ARG A 69 11.334 6.655 -11.613 1.00 0.32 C ATOM 813 C ARG A 69 12.556 6.509 -10.722 1.00 0.38 C ATOM 814 O ARG A 69 12.371 6.554 -9.521 1.00 0.38 O ATOM 815 CB ARG A 69 10.812 8.059 -11.519 1.00 0.17 C ATOM 816 CG ARG A 69 9.536 8.243 -12.317 1.00 0.26 C ATOM 817 CD ARG A 69 9.333 9.755 -12.413 1.00 0.20 C ATOM 818 NE ARG A 69 10.474 10.365 -13.192 1.00 0.54 N ATOM 819 CZ ARG A 69 10.322 10.598 -14.440 1.00 1.36 C ATOM 820 NH1 ARG A 69 9.838 9.700 -15.177 1.00 2.52 N ATOM 821 NH2 ARG A 69 10.674 11.736 -14.858 1.00 1.59 N ATOM 0 H ARG A 69 9.926 6.051 -10.157 1.00 0.39 H new ATOM 0 HA ARG A 69 11.560 6.437 -12.657 1.00 0.32 H new ATOM 0 HB2 ARG A 69 10.626 8.308 -10.474 1.00 0.17 H new ATOM 0 HB3 ARG A 69 11.570 8.753 -11.882 1.00 0.17 H new ATOM 0 HG2 ARG A 69 9.623 7.795 -13.307 1.00 0.26 H new ATOM 0 HG3 ARG A 69 8.691 7.764 -11.823 1.00 0.26 H new ATOM 0 HD2 ARG A 69 8.385 9.975 -12.903 1.00 0.20 H new ATOM 0 HD3 ARG A 69 9.285 10.191 -11.415 1.00 0.20 H new ATOM 0 HE ARG A 69 11.355 10.588 -12.728 1.00 0.54 H new ATOM 0 HH11 ARG A 69 9.573 8.800 -14.777 1.00 2.52 H new ATOM 0 HH12 ARG A 69 9.711 9.872 -16.174 1.00 2.52 H new ATOM 0 HH21 ARG A 69 11.060 12.421 -14.208 1.00 1.59 H new ATOM 0 HH22 ARG A 69 10.573 11.970 -15.846 1.00 1.59 H new ATOM 835 N LEU A 70 13.743 6.342 -11.241 1.00 0.39 N ATOM 836 CA LEU A 70 14.869 6.221 -10.254 1.00 0.33 C ATOM 837 C LEU A 70 15.655 7.517 -10.514 1.00 0.38 C ATOM 838 O LEU A 70 15.970 7.797 -11.657 1.00 0.48 O ATOM 839 CB LEU A 70 15.734 4.965 -10.566 1.00 0.29 C ATOM 840 CG LEU A 70 15.457 3.927 -9.423 1.00 0.39 C ATOM 841 CD1 LEU A 70 16.161 2.613 -9.680 1.00 0.25 C ATOM 842 CD2 LEU A 70 15.952 4.400 -8.071 1.00 0.72 C ATOM 0 H LEU A 70 13.980 6.286 -12.232 1.00 0.39 H new ATOM 0 HA LEU A 70 14.549 6.104 -9.219 1.00 0.33 H new ATOM 0 HB2 LEU A 70 15.473 4.548 -11.538 1.00 0.29 H new ATOM 0 HB3 LEU A 70 16.792 5.224 -10.604 1.00 0.29 H new ATOM 0 HG LEU A 70 14.373 3.809 -9.416 1.00 0.39 H new ATOM 0 HD11 LEU A 70 15.945 1.920 -8.867 1.00 0.25 H new ATOM 0 HD12 LEU A 70 15.809 2.190 -10.621 1.00 0.25 H new ATOM 0 HD13 LEU A 70 17.236 2.782 -9.738 1.00 0.25 H new ATOM 0 HD21 LEU A 70 15.734 3.642 -7.318 1.00 0.72 H new ATOM 0 HD22 LEU A 70 17.028 4.568 -8.116 1.00 0.72 H new ATOM 0 HD23 LEU A 70 15.451 5.331 -7.805 1.00 0.72 H new ATOM 854 N ALA A 71 15.955 8.270 -9.485 1.00 0.38 N ATOM 855 CA ALA A 71 16.715 9.540 -9.695 1.00 0.53 C ATOM 856 C ALA A 71 18.173 9.344 -9.256 1.00 0.48 C ATOM 857 O ALA A 71 18.529 9.364 -8.088 1.00 0.48 O ATOM 858 CB ALA A 71 16.052 10.647 -8.876 1.00 0.69 C ATOM 0 H ALA A 71 15.709 8.063 -8.517 1.00 0.38 H new ATOM 0 HA ALA A 71 16.707 9.817 -10.749 1.00 0.53 H new ATOM 0 HB1 ALA A 71 16.596 11.581 -9.019 1.00 0.69 H new ATOM 0 HB2 ALA A 71 15.020 10.774 -9.204 1.00 0.69 H new ATOM 0 HB3 ALA A 71 16.066 10.377 -7.820 1.00 0.69 H new ATOM 864 N VAL A 72 18.988 9.160 -10.245 1.00 0.48 N ATOM 865 CA VAL A 72 20.449 8.943 -10.015 1.00 0.51 C ATOM 866 C VAL A 72 21.296 10.144 -10.432 1.00 0.52 C ATOM 867 O VAL A 72 20.843 11.040 -11.122 1.00 0.54 O ATOM 868 CB VAL A 72 20.910 7.728 -10.821 1.00 0.48 C ATOM 869 CG1 VAL A 72 20.270 6.497 -10.254 1.00 0.41 C ATOM 870 CG2 VAL A 72 20.450 7.865 -12.265 1.00 0.45 C ATOM 0 H VAL A 72 18.706 9.149 -11.225 1.00 0.48 H new ATOM 0 HA VAL A 72 20.585 8.789 -8.945 1.00 0.51 H new ATOM 0 HB VAL A 72 21.997 7.661 -10.775 1.00 0.48 H new ATOM 0 HG11 VAL A 72 20.593 5.625 -10.822 1.00 0.41 H new ATOM 0 HG12 VAL A 72 20.566 6.381 -9.211 1.00 0.41 H new ATOM 0 HG13 VAL A 72 19.186 6.589 -10.316 1.00 0.41 H new ATOM 0 HG21 VAL A 72 20.780 6.997 -12.836 1.00 0.45 H new ATOM 0 HG22 VAL A 72 19.362 7.927 -12.296 1.00 0.45 H new ATOM 0 HG23 VAL A 72 20.877 8.769 -12.699 1.00 0.45 H new ATOM 880 N ASP A 73 22.521 10.115 -9.992 1.00 0.48 N ATOM 881 CA ASP A 73 23.438 11.228 -10.338 1.00 0.45 C ATOM 882 C ASP A 73 24.250 10.816 -11.585 1.00 0.49 C ATOM 883 O ASP A 73 23.809 10.116 -12.475 1.00 0.55 O ATOM 884 CB ASP A 73 24.332 11.460 -9.109 1.00 0.39 C ATOM 885 CG ASP A 73 25.360 10.356 -9.008 1.00 0.50 C ATOM 886 OD1 ASP A 73 24.964 9.206 -8.935 1.00 0.99 O ATOM 887 OD2 ASP A 73 26.496 10.793 -9.033 1.00 1.52 O ATOM 0 H ASP A 73 22.922 9.376 -9.414 1.00 0.48 H new ATOM 0 HA ASP A 73 22.915 12.154 -10.579 1.00 0.45 H new ATOM 0 HB2 ASP A 73 24.830 12.427 -9.187 1.00 0.39 H new ATOM 0 HB3 ASP A 73 23.724 11.487 -8.205 1.00 0.39 H new ATOM 892 N LYS A 74 25.458 11.283 -11.611 1.00 0.45 N ATOM 893 CA LYS A 74 26.378 10.999 -12.708 1.00 0.47 C ATOM 894 C LYS A 74 27.082 9.640 -12.505 1.00 0.46 C ATOM 895 O LYS A 74 27.804 9.197 -13.369 1.00 0.52 O ATOM 896 CB LYS A 74 27.360 12.191 -12.765 1.00 0.48 C ATOM 897 CG LYS A 74 28.210 12.363 -11.482 1.00 1.76 C ATOM 898 CD LYS A 74 27.582 13.467 -10.566 1.00 1.92 C ATOM 899 CE LYS A 74 28.501 13.780 -9.390 1.00 3.51 C ATOM 900 NZ LYS A 74 28.558 12.580 -8.502 1.00 4.58 N ATOM 0 H LYS A 74 25.851 11.875 -10.879 1.00 0.45 H new ATOM 0 HA LYS A 74 25.859 10.903 -13.661 1.00 0.47 H new ATOM 0 HB2 LYS A 74 28.027 12.059 -13.617 1.00 0.48 H new ATOM 0 HB3 LYS A 74 26.795 13.107 -12.941 1.00 0.48 H new ATOM 0 HG2 LYS A 74 28.263 11.418 -10.942 1.00 1.76 H new ATOM 0 HG3 LYS A 74 29.231 12.636 -11.747 1.00 1.76 H new ATOM 0 HD2 LYS A 74 27.406 14.372 -11.147 1.00 1.92 H new ATOM 0 HD3 LYS A 74 26.613 13.132 -10.197 1.00 1.92 H new ATOM 0 HE2 LYS A 74 29.499 14.035 -9.746 1.00 3.51 H new ATOM 0 HE3 LYS A 74 28.129 14.643 -8.838 1.00 3.51 H new ATOM 0 HZ1 LYS A 74 28.597 12.885 -7.508 1.00 4.58 H new ATOM 0 HZ2 LYS A 74 27.710 11.997 -8.652 1.00 4.58 H new ATOM 0 HZ3 LYS A 74 29.406 12.022 -8.727 1.00 4.58 H new ATOM 914 N LEU A 75 26.861 9.020 -11.374 1.00 0.44 N ATOM 915 CA LEU A 75 27.488 7.693 -11.047 1.00 0.48 C ATOM 916 C LEU A 75 26.398 6.648 -10.836 1.00 0.57 C ATOM 917 O LEU A 75 26.480 5.824 -9.947 1.00 0.62 O ATOM 918 CB LEU A 75 28.251 7.834 -9.767 1.00 0.39 C ATOM 919 CG LEU A 75 29.175 9.014 -9.683 1.00 0.22 C ATOM 920 CD1 LEU A 75 29.767 8.911 -8.291 1.00 0.40 C ATOM 921 CD2 LEU A 75 30.232 8.951 -10.772 1.00 0.48 C ATOM 0 H LEU A 75 26.255 9.386 -10.640 1.00 0.44 H new ATOM 0 HA LEU A 75 28.142 7.387 -11.863 1.00 0.48 H new ATOM 0 HB2 LEU A 75 27.537 7.896 -8.946 1.00 0.39 H new ATOM 0 HB3 LEU A 75 28.836 6.927 -9.613 1.00 0.39 H new ATOM 0 HG LEU A 75 28.673 9.969 -9.838 1.00 0.22 H new ATOM 0 HD11 LEU A 75 30.462 9.735 -8.129 1.00 0.40 H new ATOM 0 HD12 LEU A 75 28.968 8.960 -7.551 1.00 0.40 H new ATOM 0 HD13 LEU A 75 30.297 7.964 -8.190 1.00 0.40 H new ATOM 0 HD21 LEU A 75 30.890 9.816 -10.691 1.00 0.48 H new ATOM 0 HD22 LEU A 75 30.817 8.038 -10.659 1.00 0.48 H new ATOM 0 HD23 LEU A 75 29.748 8.953 -11.749 1.00 0.48 H new ATOM 933 N ASP A 76 25.421 6.711 -11.673 1.00 0.58 N ATOM 934 CA ASP A 76 24.278 5.761 -11.580 1.00 0.55 C ATOM 935 C ASP A 76 23.915 5.294 -10.124 1.00 0.54 C ATOM 936 O ASP A 76 23.484 4.180 -9.897 1.00 0.57 O ATOM 937 CB ASP A 76 24.617 4.547 -12.549 1.00 0.53 C ATOM 938 CG ASP A 76 26.108 4.325 -12.856 1.00 0.74 C ATOM 939 OD1 ASP A 76 26.628 5.129 -13.615 1.00 1.71 O ATOM 940 OD2 ASP A 76 26.632 3.365 -12.317 1.00 0.61 O ATOM 0 H ASP A 76 25.356 7.388 -12.433 1.00 0.58 H new ATOM 0 HA ASP A 76 23.368 6.274 -11.889 1.00 0.55 H new ATOM 0 HB2 ASP A 76 24.217 3.634 -12.108 1.00 0.53 H new ATOM 0 HB3 ASP A 76 24.092 4.703 -13.491 1.00 0.53 H new ATOM 945 N ASN A 77 24.106 6.180 -9.165 1.00 0.49 N ATOM 946 CA ASN A 77 23.769 5.863 -7.740 1.00 0.48 C ATOM 947 C ASN A 77 22.544 6.764 -7.498 1.00 0.50 C ATOM 948 O ASN A 77 22.457 7.846 -8.058 1.00 0.49 O ATOM 949 CB ASN A 77 24.878 6.288 -6.785 1.00 0.53 C ATOM 950 CG ASN A 77 26.078 5.390 -6.954 1.00 1.38 C ATOM 951 OD1 ASN A 77 27.119 5.909 -7.508 1.00 2.69 O flip ATOM 952 ND2 ASN A 77 26.097 4.231 -6.595 1.00 1.23 N flip ATOM 0 H ASN A 77 24.484 7.115 -9.315 1.00 0.49 H new ATOM 0 HA ASN A 77 23.613 4.797 -7.574 1.00 0.48 H new ATOM 0 HB2 ASN A 77 25.158 7.323 -6.978 1.00 0.53 H new ATOM 0 HB3 ASN A 77 24.521 6.241 -5.756 1.00 0.53 H new ATOM 0 HD21 ASN A 77 25.273 3.819 -6.156 1.00 1.23 H new ATOM 0 HD22 ASN A 77 26.937 3.668 -6.732 1.00 1.23 H new ATOM 959 N ILE A 78 21.671 6.266 -6.671 1.00 0.54 N ATOM 960 CA ILE A 78 20.419 6.999 -6.333 1.00 0.54 C ATOM 961 C ILE A 78 20.727 8.268 -5.574 1.00 0.53 C ATOM 962 O ILE A 78 21.117 8.265 -4.425 1.00 0.52 O ATOM 963 CB ILE A 78 19.492 6.037 -5.509 1.00 0.56 C ATOM 964 CG1 ILE A 78 19.217 4.701 -6.250 1.00 0.62 C ATOM 965 CG2 ILE A 78 18.092 6.707 -5.204 1.00 0.49 C ATOM 966 CD1 ILE A 78 19.299 4.850 -7.768 1.00 0.60 C ATOM 0 H ILE A 78 21.773 5.364 -6.205 1.00 0.54 H new ATOM 0 HA ILE A 78 19.902 7.300 -7.244 1.00 0.54 H new ATOM 0 HB ILE A 78 20.031 5.836 -4.583 1.00 0.56 H new ATOM 0 HG12 ILE A 78 19.937 3.952 -5.922 1.00 0.62 H new ATOM 0 HG13 ILE A 78 18.228 4.334 -5.977 1.00 0.62 H new ATOM 0 HG21 ILE A 78 17.474 6.015 -4.632 1.00 0.49 H new ATOM 0 HG22 ILE A 78 18.243 7.620 -4.627 1.00 0.49 H new ATOM 0 HG23 ILE A 78 17.592 6.949 -6.142 1.00 0.49 H new ATOM 0 HD11 ILE A 78 19.099 3.888 -8.239 1.00 0.60 H new ATOM 0 HD12 ILE A 78 18.560 5.578 -8.103 1.00 0.60 H new ATOM 0 HD13 ILE A 78 20.296 5.190 -8.047 1.00 0.60 H new ATOM 978 N ALA A 79 20.501 9.316 -6.307 1.00 0.53 N ATOM 979 CA ALA A 79 20.718 10.700 -5.821 1.00 0.55 C ATOM 980 C ALA A 79 19.516 11.031 -4.933 1.00 0.53 C ATOM 981 O ALA A 79 19.653 11.684 -3.916 1.00 0.55 O ATOM 982 CB ALA A 79 20.805 11.596 -7.075 1.00 0.58 C ATOM 0 H ALA A 79 20.159 9.265 -7.267 1.00 0.53 H new ATOM 0 HA ALA A 79 21.628 10.842 -5.239 1.00 0.55 H new ATOM 0 HB1 ALA A 79 20.965 12.631 -6.772 1.00 0.58 H new ATOM 0 HB2 ALA A 79 21.636 11.268 -7.700 1.00 0.58 H new ATOM 0 HB3 ALA A 79 19.876 11.523 -7.640 1.00 0.58 H new ATOM 988 N GLN A 80 18.363 10.577 -5.338 1.00 0.48 N ATOM 989 CA GLN A 80 17.158 10.869 -4.492 1.00 0.43 C ATOM 990 C GLN A 80 16.184 9.760 -4.203 1.00 0.33 C ATOM 991 O GLN A 80 16.236 8.711 -4.793 1.00 0.25 O ATOM 992 CB GLN A 80 16.347 12.006 -5.098 1.00 0.44 C ATOM 993 CG GLN A 80 16.234 13.098 -3.994 1.00 0.43 C ATOM 994 CD GLN A 80 15.113 14.049 -4.315 1.00 1.07 C ATOM 995 OE1 GLN A 80 15.264 15.245 -4.232 1.00 1.30 O ATOM 996 NE2 GLN A 80 13.952 13.617 -4.684 1.00 2.07 N ATOM 0 H GLN A 80 18.198 10.035 -6.186 1.00 0.48 H new ATOM 0 HA GLN A 80 17.627 11.099 -3.535 1.00 0.43 H new ATOM 0 HB2 GLN A 80 16.837 12.402 -5.988 1.00 0.44 H new ATOM 0 HB3 GLN A 80 15.360 11.659 -5.405 1.00 0.44 H new ATOM 0 HG2 GLN A 80 16.057 12.629 -3.026 1.00 0.43 H new ATOM 0 HG3 GLN A 80 17.174 13.645 -3.916 1.00 0.43 H new ATOM 0 HE21 GLN A 80 13.783 12.614 -4.766 1.00 2.07 H new ATOM 0 HE22 GLN A 80 13.204 14.279 -4.893 1.00 2.07 H new ATOM 1005 N VAL A 81 15.308 10.081 -3.287 1.00 0.39 N ATOM 1006 CA VAL A 81 14.236 9.157 -2.828 1.00 0.39 C ATOM 1007 C VAL A 81 13.338 8.971 -4.046 1.00 0.49 C ATOM 1008 O VAL A 81 12.520 9.841 -4.298 1.00 0.57 O ATOM 1009 CB VAL A 81 13.422 9.805 -1.681 1.00 0.41 C ATOM 1010 CG1 VAL A 81 12.347 8.799 -1.211 1.00 0.45 C ATOM 1011 CG2 VAL A 81 14.335 10.210 -0.510 1.00 0.36 C ATOM 0 H VAL A 81 15.295 10.988 -2.820 1.00 0.39 H new ATOM 0 HA VAL A 81 14.640 8.217 -2.452 1.00 0.39 H new ATOM 0 HB VAL A 81 12.945 10.714 -2.047 1.00 0.41 H new ATOM 0 HG11 VAL A 81 11.764 9.240 -0.402 1.00 0.45 H new ATOM 0 HG12 VAL A 81 11.687 8.557 -2.044 1.00 0.45 H new ATOM 0 HG13 VAL A 81 12.831 7.889 -0.855 1.00 0.45 H new ATOM 0 HG21 VAL A 81 13.735 10.662 0.280 1.00 0.36 H new ATOM 0 HG22 VAL A 81 14.841 9.327 -0.121 1.00 0.36 H new ATOM 0 HG23 VAL A 81 15.077 10.929 -0.859 1.00 0.36 H new ATOM 1021 N PRO A 82 13.491 7.890 -4.775 1.00 0.55 N ATOM 1022 CA PRO A 82 12.781 7.740 -6.073 1.00 0.66 C ATOM 1023 C PRO A 82 11.291 7.376 -5.742 1.00 0.70 C ATOM 1024 O PRO A 82 10.999 6.949 -4.631 1.00 0.79 O ATOM 1025 CB PRO A 82 13.678 6.679 -6.725 1.00 0.70 C ATOM 1026 CG PRO A 82 13.893 5.734 -5.565 1.00 0.67 C ATOM 1027 CD PRO A 82 14.326 6.684 -4.469 1.00 0.54 C ATOM 0 HA PRO A 82 12.665 8.586 -6.751 1.00 0.66 H new ATOM 0 HB2 PRO A 82 13.193 6.191 -7.570 1.00 0.70 H new ATOM 0 HB3 PRO A 82 14.614 7.099 -7.094 1.00 0.70 H new ATOM 0 HG2 PRO A 82 12.983 5.195 -5.303 1.00 0.67 H new ATOM 0 HG3 PRO A 82 14.655 4.986 -5.783 1.00 0.67 H new ATOM 0 HD2 PRO A 82 14.122 6.285 -3.475 1.00 0.54 H new ATOM 0 HD3 PRO A 82 15.393 6.902 -4.512 1.00 0.54 H new ATOM 1035 N ARG A 83 10.402 7.542 -6.697 1.00 0.66 N ATOM 1036 CA ARG A 83 8.926 7.249 -6.506 1.00 0.77 C ATOM 1037 C ARG A 83 8.161 6.507 -7.643 1.00 0.70 C ATOM 1038 O ARG A 83 8.718 6.230 -8.687 1.00 0.46 O ATOM 1039 CB ARG A 83 8.234 8.594 -6.258 1.00 0.90 C ATOM 1040 CG ARG A 83 9.000 9.407 -5.212 1.00 0.91 C ATOM 1041 CD ARG A 83 8.181 10.639 -4.887 1.00 1.09 C ATOM 1042 NE ARG A 83 8.980 11.375 -3.857 1.00 1.42 N ATOM 1043 CZ ARG A 83 8.764 11.148 -2.625 1.00 0.84 C ATOM 1044 NH1 ARG A 83 7.626 11.434 -2.130 1.00 0.86 N ATOM 1045 NH2 ARG A 83 9.735 10.635 -1.988 1.00 1.61 N ATOM 0 H ARG A 83 10.638 7.878 -7.631 1.00 0.66 H new ATOM 0 HA ARG A 83 8.889 6.540 -5.679 1.00 0.77 H new ATOM 0 HB2 ARG A 83 8.173 9.156 -7.190 1.00 0.90 H new ATOM 0 HB3 ARG A 83 7.212 8.426 -5.919 1.00 0.90 H new ATOM 0 HG2 ARG A 83 9.167 8.812 -4.314 1.00 0.91 H new ATOM 0 HG3 ARG A 83 9.981 9.691 -5.593 1.00 0.91 H new ATOM 0 HD2 ARG A 83 8.021 11.252 -5.774 1.00 1.09 H new ATOM 0 HD3 ARG A 83 7.197 10.369 -4.504 1.00 1.09 H new ATOM 0 HE ARG A 83 9.689 12.051 -4.140 1.00 1.42 H new ATOM 0 HH11 ARG A 83 6.900 11.840 -2.721 1.00 0.86 H new ATOM 0 HH12 ARG A 83 7.440 11.257 -1.143 1.00 0.86 H new ATOM 0 HH21 ARG A 83 10.612 10.434 -2.469 1.00 1.61 H new ATOM 0 HH22 ARG A 83 9.639 10.424 -0.995 1.00 1.61 H new ATOM 1059 N VAL A 84 6.903 6.232 -7.381 1.00 0.99 N ATOM 1060 CA VAL A 84 6.030 5.524 -8.399 1.00 0.96 C ATOM 1061 C VAL A 84 5.144 6.537 -9.133 1.00 1.09 C ATOM 1062 O VAL A 84 4.470 7.377 -8.568 1.00 2.41 O ATOM 1063 CB VAL A 84 5.010 4.597 -7.833 1.00 0.84 C ATOM 1064 CG1 VAL A 84 4.291 3.792 -8.936 1.00 0.83 C ATOM 1065 CG2 VAL A 84 5.585 3.642 -6.861 1.00 0.83 C ATOM 0 H VAL A 84 6.434 6.465 -6.506 1.00 0.99 H new ATOM 0 HA VAL A 84 6.759 4.987 -9.006 1.00 0.96 H new ATOM 0 HB VAL A 84 4.295 5.239 -7.318 1.00 0.84 H new ATOM 0 HG11 VAL A 84 3.556 3.128 -8.481 1.00 0.83 H new ATOM 0 HG12 VAL A 84 3.788 4.478 -9.618 1.00 0.83 H new ATOM 0 HG13 VAL A 84 5.021 3.200 -9.489 1.00 0.83 H new ATOM 0 HG21 VAL A 84 4.797 2.991 -6.481 1.00 0.83 H new ATOM 0 HG22 VAL A 84 6.349 3.039 -7.352 1.00 0.83 H new ATOM 0 HG23 VAL A 84 6.033 4.191 -6.033 1.00 0.83 H new ATOM 1075 N GLY A 85 5.195 6.370 -10.406 1.00 1.46 N ATOM 1076 CA GLY A 85 4.439 7.207 -11.384 1.00 1.49 C ATOM 1077 C GLY A 85 4.158 6.641 -12.762 1.00 3.18 C ATOM 1078 O GLY A 85 4.215 5.453 -12.936 1.00 4.32 O ATOM 1079 OXT GLY A 85 3.885 7.435 -13.641 1.00 3.80 O ATOM 0 H GLY A 85 5.762 5.645 -10.846 1.00 1.46 H new ATOM 0 HA2 GLY A 85 3.482 7.462 -10.930 1.00 1.49 H new ATOM 0 HA3 GLY A 85 4.988 8.139 -11.515 1.00 1.49 H new TER 1083 GLY A 85