USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 554 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 47 LYS NZ :NH3+ 158:sc= 0.941 (180deg=0.302) USER MOD Set 1.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -56:sc= 0.0967 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.209 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -160:sc= 1.06 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc=7.54e-05 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot -32:sc= 0.12 USER MOD Single : A 46 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00783) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 57 MET CE :methyl 166:sc= 0 (180deg=-0.123) USER MOD Single : A 58 ASN : amide:sc= -1.21 X(o=-1.2,f=-0.95) USER MOD Single : A 61 THR OG1 : rot 150:sc= -2.79! USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 26:sc= 0.138 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.470 -23.537 -2.449 1.00 0.00 N ATOM 2 CA GLY A 1 -0.842 -22.540 -1.602 1.00 0.00 C ATOM 3 C GLY A 1 0.593 -22.891 -1.261 1.00 0.00 C ATOM 4 O GLY A 1 0.885 -23.337 -0.152 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.449 -23.252 -2.654 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.940 -23.619 -3.340 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.472 -24.455 -1.961 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.867 -21.573 -2.104 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.416 -22.436 -0.681 1.00 0.00 H new ATOM 8 N SER A 2 1.493 -22.692 -2.220 1.00 0.00 N ATOM 9 CA SER A 2 2.904 -22.995 -2.018 1.00 0.00 C ATOM 10 C SER A 2 3.644 -21.785 -1.454 1.00 0.00 C ATOM 11 O SER A 2 4.758 -21.472 -1.876 1.00 0.00 O ATOM 12 CB SER A 2 3.548 -23.431 -3.337 1.00 0.00 C ATOM 13 OG SER A 2 4.785 -24.083 -3.108 1.00 0.00 O ATOM 0 H SER A 2 1.269 -22.322 -3.144 1.00 0.00 H new ATOM 0 HA SER A 2 2.976 -23.811 -1.299 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.874 -24.100 -3.871 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.704 -22.561 -3.974 1.00 0.00 H new ATOM 0 HG SER A 2 5.374 -23.494 -2.592 1.00 0.00 H new ATOM 19 N SER A 3 3.017 -21.109 -0.496 1.00 0.00 N ATOM 20 CA SER A 3 3.614 -19.933 0.125 1.00 0.00 C ATOM 21 C SER A 3 4.470 -20.327 1.324 1.00 0.00 C ATOM 22 O SER A 3 4.264 -21.376 1.931 1.00 0.00 O ATOM 23 CB SER A 3 2.522 -18.954 0.563 1.00 0.00 C ATOM 24 OG SER A 3 1.638 -18.665 -0.506 1.00 0.00 O ATOM 0 H SER A 3 2.096 -21.356 -0.133 1.00 0.00 H new ATOM 0 HA SER A 3 4.254 -19.448 -0.612 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.963 -19.378 1.397 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.979 -18.031 0.921 1.00 0.00 H new ATOM 0 HG SER A 3 0.949 -18.039 -0.200 1.00 0.00 H new ATOM 30 N GLY A 4 5.435 -19.474 1.660 1.00 0.00 N ATOM 31 CA GLY A 4 6.309 -19.749 2.784 1.00 0.00 C ATOM 32 C GLY A 4 5.617 -19.555 4.119 1.00 0.00 C ATOM 33 O GLY A 4 4.496 -20.024 4.319 1.00 0.00 O ATOM 0 H GLY A 4 5.626 -18.598 1.173 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.675 -20.773 2.714 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.180 -19.095 2.731 1.00 0.00 H new ATOM 37 N SER A 5 6.286 -18.864 5.036 1.00 0.00 N ATOM 38 CA SER A 5 5.729 -18.612 6.360 1.00 0.00 C ATOM 39 C SER A 5 4.330 -18.014 6.257 1.00 0.00 C ATOM 40 O SER A 5 3.833 -17.753 5.161 1.00 0.00 O ATOM 41 CB SER A 5 6.641 -17.674 7.151 1.00 0.00 C ATOM 42 OG SER A 5 6.896 -16.482 6.428 1.00 0.00 O ATOM 0 H SER A 5 7.214 -18.469 4.887 1.00 0.00 H new ATOM 0 HA SER A 5 5.659 -19.565 6.884 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.177 -17.431 8.107 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.582 -18.177 7.372 1.00 0.00 H new ATOM 0 HG SER A 5 7.480 -15.898 6.956 1.00 0.00 H new ATOM 48 N SER A 6 3.700 -17.796 7.408 1.00 0.00 N ATOM 49 CA SER A 6 2.356 -17.231 7.449 1.00 0.00 C ATOM 50 C SER A 6 2.291 -16.055 8.417 1.00 0.00 C ATOM 51 O SER A 6 2.152 -16.237 9.626 1.00 0.00 O ATOM 52 CB SER A 6 1.342 -18.301 7.859 1.00 0.00 C ATOM 53 OG SER A 6 0.831 -18.981 6.725 1.00 0.00 O ATOM 0 H SER A 6 4.099 -18.002 8.324 1.00 0.00 H new ATOM 0 HA SER A 6 2.109 -16.871 6.450 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.815 -19.015 8.533 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.523 -17.838 8.409 1.00 0.00 H new ATOM 0 HG SER A 6 0.187 -19.661 7.014 1.00 0.00 H new ATOM 59 N GLY A 7 2.394 -14.844 7.876 1.00 0.00 N ATOM 60 CA GLY A 7 2.345 -13.655 8.706 1.00 0.00 C ATOM 61 C GLY A 7 1.599 -12.514 8.041 1.00 0.00 C ATOM 62 O GLY A 7 2.199 -11.687 7.355 1.00 0.00 O ATOM 0 H GLY A 7 2.510 -14.666 6.878 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.863 -13.897 9.654 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.361 -13.335 8.937 1.00 0.00 H new ATOM 66 N ASP A 8 0.286 -12.472 8.243 1.00 0.00 N ATOM 67 CA ASP A 8 -0.543 -11.426 7.658 1.00 0.00 C ATOM 68 C ASP A 8 -1.806 -11.207 8.487 1.00 0.00 C ATOM 69 O ASP A 8 -2.299 -12.109 9.162 1.00 0.00 O ATOM 70 CB ASP A 8 -0.920 -11.788 6.221 1.00 0.00 C ATOM 71 CG ASP A 8 0.288 -12.165 5.384 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.146 -11.287 5.150 1.00 0.00 O ATOM 73 OD2 ASP A 8 0.375 -13.337 4.964 1.00 0.00 O ATOM 0 H ASP A 8 -0.226 -13.150 8.807 1.00 0.00 H new ATOM 0 HA ASP A 8 0.033 -10.501 7.653 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.625 -12.619 6.232 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.430 -10.943 5.758 1.00 0.00 H new ATOM 78 N PRO A 9 -2.342 -9.978 8.435 1.00 0.00 N ATOM 79 CA PRO A 9 -3.553 -9.611 9.176 1.00 0.00 C ATOM 80 C PRO A 9 -4.801 -10.286 8.616 1.00 0.00 C ATOM 81 O PRO A 9 -4.842 -10.707 7.460 1.00 0.00 O ATOM 82 CB PRO A 9 -3.636 -8.094 8.990 1.00 0.00 C ATOM 83 CG PRO A 9 -2.905 -7.828 7.720 1.00 0.00 C ATOM 84 CD PRO A 9 -1.808 -8.853 7.650 1.00 0.00 C ATOM 0 HA PRO A 9 -3.504 -9.924 10.219 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.671 -7.759 8.929 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.179 -7.567 9.828 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.572 -7.911 6.862 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.496 -6.818 7.710 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.596 -9.145 6.622 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.877 -8.475 8.072 1.00 0.00 H new ATOM 92 N PRO A 10 -5.844 -10.391 9.453 1.00 0.00 N ATOM 93 CA PRO A 10 -7.112 -11.012 9.063 1.00 0.00 C ATOM 94 C PRO A 10 -7.883 -10.171 8.051 1.00 0.00 C ATOM 95 O PRO A 10 -8.996 -10.522 7.657 1.00 0.00 O ATOM 96 CB PRO A 10 -7.884 -11.102 10.382 1.00 0.00 C ATOM 97 CG PRO A 10 -7.314 -10.016 11.229 1.00 0.00 C ATOM 98 CD PRO A 10 -5.865 -9.909 10.845 1.00 0.00 C ATOM 0 HA PRO A 10 -6.961 -11.975 8.575 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.954 -10.962 10.225 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.756 -12.078 10.850 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.834 -9.074 11.057 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.421 -10.250 12.288 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.504 -8.883 10.920 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.232 -10.518 11.491 1.00 0.00 H new ATOM 106 N TRP A 11 -7.286 -9.061 7.635 1.00 0.00 N ATOM 107 CA TRP A 11 -7.917 -8.169 6.668 1.00 0.00 C ATOM 108 C TRP A 11 -7.057 -8.025 5.419 1.00 0.00 C ATOM 109 O TRP A 11 -7.231 -7.090 4.638 1.00 0.00 O ATOM 110 CB TRP A 11 -8.162 -6.796 7.295 1.00 0.00 C ATOM 111 CG TRP A 11 -6.998 -6.290 8.092 1.00 0.00 C ATOM 112 CD1 TRP A 11 -6.829 -6.382 9.444 1.00 0.00 C ATOM 113 CD2 TRP A 11 -5.845 -5.612 7.587 1.00 0.00 C ATOM 114 NE1 TRP A 11 -5.638 -5.803 9.810 1.00 0.00 N ATOM 115 CE2 TRP A 11 -5.015 -5.323 8.688 1.00 0.00 C ATOM 116 CE3 TRP A 11 -5.428 -5.222 6.311 1.00 0.00 C ATOM 117 CZ2 TRP A 11 -3.797 -4.663 8.551 1.00 0.00 C ATOM 118 CZ3 TRP A 11 -4.219 -4.564 6.176 1.00 0.00 C ATOM 119 CH2 TRP A 11 -3.414 -4.292 7.290 1.00 0.00 C ATOM 0 H TRP A 11 -6.366 -8.756 7.952 1.00 0.00 H new ATOM 0 HA TRP A 11 -8.873 -8.605 6.379 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.391 -6.080 6.506 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -9.039 -6.851 7.940 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -7.529 -6.842 10.126 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.277 -5.741 10.762 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -6.039 -5.431 5.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -3.176 -4.451 9.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.890 -4.255 5.195 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.473 -3.780 7.151 1.00 0.00 H new ATOM 130 N ALA A 12 -6.128 -8.958 5.233 1.00 0.00 N ATOM 131 CA ALA A 12 -5.242 -8.935 4.076 1.00 0.00 C ATOM 132 C ALA A 12 -5.948 -9.468 2.835 1.00 0.00 C ATOM 133 O ALA A 12 -6.766 -10.386 2.902 1.00 0.00 O ATOM 134 CB ALA A 12 -3.984 -9.742 4.359 1.00 0.00 C ATOM 0 H ALA A 12 -5.970 -9.739 5.869 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.960 -7.900 3.885 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.331 -9.716 3.486 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.462 -9.314 5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.256 -10.775 4.578 1.00 0.00 H new ATOM 140 N PRO A 13 -5.627 -8.881 1.673 1.00 0.00 N ATOM 141 CA PRO A 13 -6.219 -9.281 0.393 1.00 0.00 C ATOM 142 C PRO A 13 -5.747 -10.659 -0.060 1.00 0.00 C ATOM 143 O PRO A 13 -4.675 -11.119 0.336 1.00 0.00 O ATOM 144 CB PRO A 13 -5.732 -8.203 -0.577 1.00 0.00 C ATOM 145 CG PRO A 13 -4.471 -7.692 0.028 1.00 0.00 C ATOM 146 CD PRO A 13 -4.660 -7.781 1.517 1.00 0.00 C ATOM 0 HA PRO A 13 -7.304 -9.359 0.454 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.556 -8.615 -1.571 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.469 -7.408 -0.688 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.615 -8.286 -0.293 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.279 -6.664 -0.280 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.722 -7.995 2.029 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.043 -6.848 1.930 1.00 0.00 H new ATOM 154 N ARG A 14 -6.551 -11.312 -0.892 1.00 0.00 N ATOM 155 CA ARG A 14 -6.214 -12.638 -1.398 1.00 0.00 C ATOM 156 C ARG A 14 -4.805 -12.655 -1.981 1.00 0.00 C ATOM 157 O ARG A 14 -3.974 -13.479 -1.602 1.00 0.00 O ATOM 158 CB ARG A 14 -7.223 -13.073 -2.462 1.00 0.00 C ATOM 159 CG ARG A 14 -7.423 -14.577 -2.533 1.00 0.00 C ATOM 160 CD ARG A 14 -6.261 -15.262 -3.236 1.00 0.00 C ATOM 161 NE ARG A 14 -6.163 -14.869 -4.639 1.00 0.00 N ATOM 162 CZ ARG A 14 -5.549 -15.597 -5.564 1.00 0.00 C ATOM 163 NH1 ARG A 14 -4.982 -16.751 -5.237 1.00 0.00 N ATOM 164 NH2 ARG A 14 -5.502 -15.173 -6.821 1.00 0.00 N ATOM 0 H ARG A 14 -7.440 -10.945 -1.230 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.252 -13.338 -0.564 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.182 -12.597 -2.257 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.890 -12.713 -3.435 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.528 -14.979 -1.525 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.350 -14.797 -3.062 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.331 -15.015 -2.724 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.384 -16.343 -3.170 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.589 -13.987 -4.924 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.017 -17.081 -4.273 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.511 -17.308 -5.950 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.938 -14.287 -7.077 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.030 -15.733 -7.531 1.00 0.00 H new ATOM 178 N SER A 15 -4.542 -11.738 -2.909 1.00 0.00 N ATOM 179 CA SER A 15 -3.234 -11.650 -3.548 1.00 0.00 C ATOM 180 C SER A 15 -2.873 -10.199 -3.848 1.00 0.00 C ATOM 181 O SER A 15 -3.727 -9.312 -3.807 1.00 0.00 O ATOM 182 CB SER A 15 -3.220 -12.468 -4.841 1.00 0.00 C ATOM 183 OG SER A 15 -1.959 -12.387 -5.481 1.00 0.00 O ATOM 0 H SER A 15 -5.218 -11.046 -3.234 1.00 0.00 H new ATOM 0 HA SER A 15 -2.492 -12.056 -2.860 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.452 -13.509 -4.619 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.997 -12.104 -5.514 1.00 0.00 H new ATOM 0 HG SER A 15 -1.975 -12.919 -6.304 1.00 0.00 H new ATOM 189 N TYR A 16 -1.600 -9.963 -4.149 1.00 0.00 N ATOM 190 CA TYR A 16 -1.123 -8.619 -4.453 1.00 0.00 C ATOM 191 C TYR A 16 0.176 -8.670 -5.251 1.00 0.00 C ATOM 192 O TYR A 16 0.923 -9.648 -5.184 1.00 0.00 O ATOM 193 CB TYR A 16 -0.912 -7.825 -3.163 1.00 0.00 C ATOM 194 CG TYR A 16 -0.126 -8.576 -2.112 1.00 0.00 C ATOM 195 CD1 TYR A 16 1.261 -8.634 -2.161 1.00 0.00 C ATOM 196 CD2 TYR A 16 -0.772 -9.230 -1.069 1.00 0.00 C ATOM 197 CE1 TYR A 16 1.983 -9.320 -1.204 1.00 0.00 C ATOM 198 CE2 TYR A 16 -0.058 -9.916 -0.107 1.00 0.00 C ATOM 199 CZ TYR A 16 1.319 -9.959 -0.179 1.00 0.00 C ATOM 200 OH TYR A 16 2.034 -10.643 0.779 1.00 0.00 O ATOM 0 H TYR A 16 -0.881 -10.685 -4.189 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.881 -8.120 -5.058 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.392 -6.896 -3.399 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.884 -7.551 -2.752 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.784 -8.133 -2.962 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -1.850 -9.201 -1.010 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.061 -9.355 -1.258 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.575 -10.417 0.698 1.00 0.00 H new ATOM 0 HH TYR A 16 1.416 -11.035 1.431 1.00 0.00 H new ATOM 210 N LEU A 17 0.441 -7.610 -6.005 1.00 0.00 N ATOM 211 CA LEU A 17 1.650 -7.530 -6.817 1.00 0.00 C ATOM 212 C LEU A 17 2.897 -7.510 -5.937 1.00 0.00 C ATOM 213 O LEU A 17 3.856 -8.237 -6.188 1.00 0.00 O ATOM 214 CB LEU A 17 1.616 -6.282 -7.699 1.00 0.00 C ATOM 215 CG LEU A 17 0.777 -6.383 -8.973 1.00 0.00 C ATOM 216 CD1 LEU A 17 -0.657 -5.953 -8.704 1.00 0.00 C ATOM 217 CD2 LEU A 17 1.389 -5.541 -10.084 1.00 0.00 C ATOM 0 H LEU A 17 -0.166 -6.793 -6.071 1.00 0.00 H new ATOM 0 HA LEU A 17 1.689 -8.415 -7.452 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.238 -5.451 -7.104 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.639 -6.033 -7.980 1.00 0.00 H new ATOM 0 HG LEU A 17 0.768 -7.424 -9.297 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.239 -6.032 -9.622 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.093 -6.598 -7.942 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.668 -4.920 -8.355 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.778 -5.625 -10.983 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.430 -4.498 -9.770 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.398 -5.896 -10.296 1.00 0.00 H new ATOM 229 N GLU A 18 2.871 -6.676 -4.903 1.00 0.00 N ATOM 230 CA GLU A 18 3.999 -6.563 -3.985 1.00 0.00 C ATOM 231 C GLU A 18 3.595 -5.817 -2.717 1.00 0.00 C ATOM 232 O GLU A 18 2.449 -5.392 -2.570 1.00 0.00 O ATOM 233 CB GLU A 18 5.166 -5.842 -4.662 1.00 0.00 C ATOM 234 CG GLU A 18 4.913 -4.362 -4.901 1.00 0.00 C ATOM 235 CD GLU A 18 6.100 -3.660 -5.530 1.00 0.00 C ATOM 236 OE1 GLU A 18 6.975 -3.181 -4.776 1.00 0.00 O ATOM 237 OE2 GLU A 18 6.156 -3.591 -6.776 1.00 0.00 O ATOM 0 H GLU A 18 2.082 -6.069 -4.680 1.00 0.00 H new ATOM 0 HA GLU A 18 4.313 -7.570 -3.710 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.058 -5.954 -4.046 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.375 -6.325 -5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.043 -4.246 -5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.672 -3.881 -3.953 1.00 0.00 H new ATOM 244 N LYS A 19 4.543 -5.665 -1.798 1.00 0.00 N ATOM 245 CA LYS A 19 4.288 -4.973 -0.541 1.00 0.00 C ATOM 246 C LYS A 19 5.192 -3.752 -0.401 1.00 0.00 C ATOM 247 O LYS A 19 6.400 -3.831 -0.628 1.00 0.00 O ATOM 248 CB LYS A 19 4.506 -5.921 0.640 1.00 0.00 C ATOM 249 CG LYS A 19 3.824 -5.465 1.919 1.00 0.00 C ATOM 250 CD LYS A 19 4.406 -6.160 3.139 1.00 0.00 C ATOM 251 CE LYS A 19 3.731 -7.500 3.390 1.00 0.00 C ATOM 252 NZ LYS A 19 4.237 -8.151 4.631 1.00 0.00 N ATOM 0 H LYS A 19 5.496 -6.013 -1.901 1.00 0.00 H new ATOM 0 HA LYS A 19 3.251 -4.638 -0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.136 -6.911 0.374 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.576 -6.019 0.824 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.934 -4.386 2.027 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.756 -5.672 1.856 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.476 -6.311 2.997 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.287 -5.522 4.014 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.654 -7.355 3.469 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.902 -8.158 2.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.753 -9.061 4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.261 -8.312 4.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.051 -7.534 5.447 1.00 0.00 H new ATOM 266 N VAL A 20 4.600 -2.624 -0.023 1.00 0.00 N ATOM 267 CA VAL A 20 5.352 -1.386 0.151 1.00 0.00 C ATOM 268 C VAL A 20 5.231 -0.866 1.579 1.00 0.00 C ATOM 269 O VAL A 20 4.407 -1.344 2.358 1.00 0.00 O ATOM 270 CB VAL A 20 4.869 -0.294 -0.824 1.00 0.00 C ATOM 271 CG1 VAL A 20 5.083 -0.734 -2.264 1.00 0.00 C ATOM 272 CG2 VAL A 20 3.408 0.039 -0.570 1.00 0.00 C ATOM 0 H VAL A 20 3.602 -2.541 0.169 1.00 0.00 H new ATOM 0 HA VAL A 20 6.396 -1.617 -0.062 1.00 0.00 H new ATOM 0 HB VAL A 20 5.457 0.608 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.737 0.049 -2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.144 -0.917 -2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.522 -1.650 -2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.084 0.812 -1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.801 -0.855 -0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.289 0.400 0.452 1.00 0.00 H new ATOM 282 N VAL A 21 6.059 0.119 1.916 1.00 0.00 N ATOM 283 CA VAL A 21 6.045 0.705 3.252 1.00 0.00 C ATOM 284 C VAL A 21 5.848 2.216 3.184 1.00 0.00 C ATOM 285 O VAL A 21 6.439 2.893 2.343 1.00 0.00 O ATOM 286 CB VAL A 21 7.349 0.401 4.012 1.00 0.00 C ATOM 287 CG1 VAL A 21 8.554 0.895 3.227 1.00 0.00 C ATOM 288 CG2 VAL A 21 7.314 1.026 5.399 1.00 0.00 C ATOM 0 H VAL A 21 6.747 0.527 1.283 1.00 0.00 H new ATOM 0 HA VAL A 21 5.209 0.255 3.788 1.00 0.00 H new ATOM 0 HB VAL A 21 7.439 -0.679 4.126 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.466 0.671 3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.586 0.397 2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.475 1.972 3.079 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.243 0.802 5.923 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.200 2.106 5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.473 0.618 5.961 1.00 0.00 H new ATOM 298 N ALA A 22 5.015 2.739 4.078 1.00 0.00 N ATOM 299 CA ALA A 22 4.743 4.170 4.122 1.00 0.00 C ATOM 300 C ALA A 22 5.959 4.945 4.615 1.00 0.00 C ATOM 301 O ALA A 22 6.143 5.130 5.818 1.00 0.00 O ATOM 302 CB ALA A 22 3.540 4.451 5.012 1.00 0.00 C ATOM 0 H ALA A 22 4.517 2.193 4.781 1.00 0.00 H new ATOM 0 HA ALA A 22 4.519 4.503 3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.348 5.524 5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.666 3.935 4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.744 4.096 6.022 1.00 0.00 H new ATOM 308 N ILE A 23 6.786 5.396 3.678 1.00 0.00 N ATOM 309 CA ILE A 23 7.985 6.153 4.018 1.00 0.00 C ATOM 310 C ILE A 23 7.630 7.532 4.564 1.00 0.00 C ATOM 311 O ILE A 23 8.310 8.056 5.446 1.00 0.00 O ATOM 312 CB ILE A 23 8.911 6.319 2.798 1.00 0.00 C ATOM 313 CG1 ILE A 23 8.148 6.954 1.634 1.00 0.00 C ATOM 314 CG2 ILE A 23 9.492 4.973 2.388 1.00 0.00 C ATOM 315 CD1 ILE A 23 9.035 7.352 0.476 1.00 0.00 C ATOM 0 H ILE A 23 6.648 5.251 2.678 1.00 0.00 H new ATOM 0 HA ILE A 23 8.508 5.585 4.787 1.00 0.00 H new ATOM 0 HB ILE A 23 9.734 6.980 3.071 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.394 6.252 1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.618 7.836 1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.144 5.106 1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.066 4.557 3.216 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.682 4.291 2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.427 7.795 -0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.773 8.078 0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.545 6.470 0.089 1.00 0.00 H new ATOM 327 N TYR A 24 6.559 8.113 4.035 1.00 0.00 N ATOM 328 CA TYR A 24 6.113 9.432 4.469 1.00 0.00 C ATOM 329 C TYR A 24 4.629 9.414 4.826 1.00 0.00 C ATOM 330 O TYR A 24 3.859 8.619 4.287 1.00 0.00 O ATOM 331 CB TYR A 24 6.373 10.467 3.374 1.00 0.00 C ATOM 332 CG TYR A 24 7.841 10.703 3.101 1.00 0.00 C ATOM 333 CD1 TYR A 24 8.635 11.391 4.011 1.00 0.00 C ATOM 334 CD2 TYR A 24 8.435 10.239 1.934 1.00 0.00 C ATOM 335 CE1 TYR A 24 9.976 11.610 3.765 1.00 0.00 C ATOM 336 CE2 TYR A 24 9.776 10.453 1.680 1.00 0.00 C ATOM 337 CZ TYR A 24 10.543 11.138 2.600 1.00 0.00 C ATOM 338 OH TYR A 24 11.878 11.354 2.351 1.00 0.00 O ATOM 0 H TYR A 24 5.984 7.692 3.305 1.00 0.00 H new ATOM 0 HA TYR A 24 6.680 9.705 5.359 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.889 10.140 2.454 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.909 11.411 3.660 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.196 11.761 4.926 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.838 9.701 1.212 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.578 12.149 4.482 1.00 0.00 H new ATOM 0 HE2 TYR A 24 10.221 10.086 0.767 1.00 0.00 H new ATOM 0 HH TYR A 24 12.118 10.956 1.488 1.00 0.00 H new ATOM 348 N ASP A 25 4.237 10.298 5.736 1.00 0.00 N ATOM 349 CA ASP A 25 2.846 10.387 6.165 1.00 0.00 C ATOM 350 C ASP A 25 2.029 11.228 5.190 1.00 0.00 C ATOM 351 O ASP A 25 2.094 12.458 5.207 1.00 0.00 O ATOM 352 CB ASP A 25 2.760 10.986 7.570 1.00 0.00 C ATOM 353 CG ASP A 25 3.668 12.189 7.742 1.00 0.00 C ATOM 354 OD1 ASP A 25 3.291 13.287 7.282 1.00 0.00 O ATOM 355 OD2 ASP A 25 4.755 12.031 8.338 1.00 0.00 O ATOM 0 H ASP A 25 4.862 10.963 6.191 1.00 0.00 H new ATOM 0 HA ASP A 25 2.432 9.379 6.182 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.730 11.279 7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.027 10.225 8.303 1.00 0.00 H new ATOM 360 N TYR A 26 1.261 10.558 4.338 1.00 0.00 N ATOM 361 CA TYR A 26 0.434 11.244 3.352 1.00 0.00 C ATOM 362 C TYR A 26 -1.030 11.251 3.780 1.00 0.00 C ATOM 363 O TYR A 26 -1.591 10.215 4.141 1.00 0.00 O ATOM 364 CB TYR A 26 0.573 10.572 1.983 1.00 0.00 C ATOM 365 CG TYR A 26 -0.312 11.179 0.919 1.00 0.00 C ATOM 366 CD1 TYR A 26 -0.166 12.508 0.539 1.00 0.00 C ATOM 367 CD2 TYR A 26 -1.296 10.423 0.293 1.00 0.00 C ATOM 368 CE1 TYR A 26 -0.974 13.066 -0.433 1.00 0.00 C ATOM 369 CE2 TYR A 26 -2.107 10.972 -0.682 1.00 0.00 C ATOM 370 CZ TYR A 26 -1.942 12.294 -1.040 1.00 0.00 C ATOM 371 OH TYR A 26 -2.749 12.845 -2.009 1.00 0.00 O ATOM 0 H TYR A 26 1.194 9.541 4.310 1.00 0.00 H new ATOM 0 HA TYR A 26 0.778 12.276 3.280 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.612 10.636 1.660 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.335 9.513 2.081 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.592 13.115 1.012 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.429 9.389 0.573 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.848 14.101 -0.716 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.865 10.370 -1.161 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.556 12.299 -2.112 1.00 0.00 H new ATOM 381 N THR A 27 -1.647 12.429 3.735 1.00 0.00 N ATOM 382 CA THR A 27 -3.045 12.573 4.119 1.00 0.00 C ATOM 383 C THR A 27 -3.958 12.517 2.899 1.00 0.00 C ATOM 384 O THR A 27 -3.989 13.446 2.090 1.00 0.00 O ATOM 385 CB THR A 27 -3.288 13.897 4.867 1.00 0.00 C ATOM 386 OG1 THR A 27 -2.426 13.980 6.007 1.00 0.00 O ATOM 387 CG2 THR A 27 -4.738 14.009 5.313 1.00 0.00 C ATOM 0 H THR A 27 -1.200 13.296 3.436 1.00 0.00 H new ATOM 0 HA THR A 27 -3.278 11.741 4.783 1.00 0.00 H new ATOM 0 HB THR A 27 -3.070 14.719 4.185 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.585 14.825 6.477 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.885 14.952 5.839 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.391 13.974 4.441 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.979 13.181 5.979 1.00 0.00 H new ATOM 395 N LYS A 28 -4.702 11.425 2.772 1.00 0.00 N ATOM 396 CA LYS A 28 -5.619 11.249 1.651 1.00 0.00 C ATOM 397 C LYS A 28 -6.427 12.518 1.404 1.00 0.00 C ATOM 398 O LYS A 28 -6.825 13.204 2.345 1.00 0.00 O ATOM 399 CB LYS A 28 -6.563 10.074 1.918 1.00 0.00 C ATOM 400 CG LYS A 28 -7.652 10.387 2.930 1.00 0.00 C ATOM 401 CD LYS A 28 -8.802 9.397 2.835 1.00 0.00 C ATOM 402 CE LYS A 28 -10.081 9.974 3.419 1.00 0.00 C ATOM 403 NZ LYS A 28 -10.126 9.837 4.902 1.00 0.00 N ATOM 0 H LYS A 28 -4.689 10.647 3.432 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.028 11.037 0.760 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.027 9.771 0.979 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.981 9.224 2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.233 10.364 3.936 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.026 11.397 2.763 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.966 9.127 1.792 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.540 8.481 3.364 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.160 11.027 3.149 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.941 9.467 2.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.014 10.242 5.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.076 8.831 5.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.320 10.342 5.322 1.00 0.00 H new ATOM 417 N ASP A 29 -6.665 12.824 0.134 1.00 0.00 N ATOM 418 CA ASP A 29 -7.430 14.010 -0.237 1.00 0.00 C ATOM 419 C ASP A 29 -8.897 13.663 -0.462 1.00 0.00 C ATOM 420 O ASP A 29 -9.792 14.327 0.064 1.00 0.00 O ATOM 421 CB ASP A 29 -6.844 14.646 -1.499 1.00 0.00 C ATOM 422 CG ASP A 29 -7.684 15.801 -2.009 1.00 0.00 C ATOM 423 OD1 ASP A 29 -7.804 16.813 -1.285 1.00 0.00 O ATOM 424 OD2 ASP A 29 -8.221 15.694 -3.130 1.00 0.00 O ATOM 0 H ASP A 29 -6.340 12.268 -0.657 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.367 14.724 0.584 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.835 15.000 -1.289 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.761 13.889 -2.279 1.00 0.00 H new ATOM 429 N LYS A 30 -9.140 12.619 -1.247 1.00 0.00 N ATOM 430 CA LYS A 30 -10.499 12.182 -1.543 1.00 0.00 C ATOM 431 C LYS A 30 -10.877 10.969 -0.698 1.00 0.00 C ATOM 432 O LYS A 30 -10.053 10.440 0.046 1.00 0.00 O ATOM 433 CB LYS A 30 -10.637 11.845 -3.029 1.00 0.00 C ATOM 434 CG LYS A 30 -10.388 13.029 -3.948 1.00 0.00 C ATOM 435 CD LYS A 30 -11.675 13.784 -4.243 1.00 0.00 C ATOM 436 CE LYS A 30 -11.917 14.891 -3.229 1.00 0.00 C ATOM 437 NZ LYS A 30 -13.049 15.773 -3.630 1.00 0.00 N ATOM 0 H LYS A 30 -8.412 12.059 -1.690 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.178 12.999 -1.298 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.936 11.048 -3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.639 11.457 -3.213 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.666 13.704 -3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.947 12.680 -4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.626 14.211 -5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.516 13.090 -4.233 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.127 14.451 -2.254 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.012 15.488 -3.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.182 16.515 -2.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.838 16.213 -4.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.918 15.208 -3.709 1.00 0.00 H new ATOM 451 N GLU A 31 -12.127 10.534 -0.821 1.00 0.00 N ATOM 452 CA GLU A 31 -12.612 9.383 -0.068 1.00 0.00 C ATOM 453 C GLU A 31 -11.934 8.099 -0.540 1.00 0.00 C ATOM 454 O GLU A 31 -11.609 7.226 0.263 1.00 0.00 O ATOM 455 CB GLU A 31 -14.130 9.255 -0.213 1.00 0.00 C ATOM 456 CG GLU A 31 -14.594 9.108 -1.652 1.00 0.00 C ATOM 457 CD GLU A 31 -16.099 8.959 -1.767 1.00 0.00 C ATOM 458 OE1 GLU A 31 -16.819 9.556 -0.940 1.00 0.00 O ATOM 459 OE2 GLU A 31 -16.557 8.246 -2.685 1.00 0.00 O ATOM 0 H GLU A 31 -12.822 10.961 -1.434 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.366 9.538 0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.470 8.392 0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.604 10.134 0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.274 9.979 -2.224 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -14.111 8.239 -2.099 1.00 0.00 H new ATOM 466 N ASP A 32 -11.726 7.995 -1.848 1.00 0.00 N ATOM 467 CA ASP A 32 -11.087 6.819 -2.428 1.00 0.00 C ATOM 468 C ASP A 32 -9.644 6.694 -1.949 1.00 0.00 C ATOM 469 O ASP A 32 -9.170 5.596 -1.657 1.00 0.00 O ATOM 470 CB ASP A 32 -11.125 6.893 -3.956 1.00 0.00 C ATOM 471 CG ASP A 32 -10.730 8.259 -4.481 1.00 0.00 C ATOM 472 OD1 ASP A 32 -9.526 8.590 -4.427 1.00 0.00 O ATOM 473 OD2 ASP A 32 -11.624 8.999 -4.944 1.00 0.00 O ATOM 0 H ASP A 32 -11.990 8.710 -2.526 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.638 5.937 -2.101 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.454 6.140 -4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.129 6.650 -4.303 1.00 0.00 H new ATOM 478 N GLU A 33 -8.950 7.825 -1.873 1.00 0.00 N ATOM 479 CA GLU A 33 -7.561 7.840 -1.432 1.00 0.00 C ATOM 480 C GLU A 33 -7.424 7.222 -0.043 1.00 0.00 C ATOM 481 O GLU A 33 -8.406 7.088 0.688 1.00 0.00 O ATOM 482 CB GLU A 33 -7.021 9.272 -1.421 1.00 0.00 C ATOM 483 CG GLU A 33 -6.695 9.811 -2.802 1.00 0.00 C ATOM 484 CD GLU A 33 -5.865 11.078 -2.754 1.00 0.00 C ATOM 485 OE1 GLU A 33 -4.854 11.098 -2.021 1.00 0.00 O ATOM 486 OE2 GLU A 33 -6.224 12.050 -3.452 1.00 0.00 O ATOM 0 H GLU A 33 -9.327 8.742 -2.111 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.977 7.245 -2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.756 9.925 -0.950 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.122 9.307 -0.805 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.157 9.050 -3.367 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.623 10.009 -3.339 1.00 0.00 H new ATOM 493 N LEU A 34 -6.200 6.849 0.314 1.00 0.00 N ATOM 494 CA LEU A 34 -5.934 6.245 1.615 1.00 0.00 C ATOM 495 C LEU A 34 -4.970 7.103 2.426 1.00 0.00 C ATOM 496 O LEU A 34 -4.018 7.666 1.885 1.00 0.00 O ATOM 497 CB LEU A 34 -5.358 4.838 1.437 1.00 0.00 C ATOM 498 CG LEU A 34 -5.674 3.839 2.550 1.00 0.00 C ATOM 499 CD1 LEU A 34 -5.577 2.413 2.030 1.00 0.00 C ATOM 500 CD2 LEU A 34 -4.738 4.042 3.733 1.00 0.00 C ATOM 0 H LEU A 34 -5.377 6.954 -0.279 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.877 6.179 2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.728 4.432 0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.275 4.919 1.345 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.696 4.013 2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.805 1.716 2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.289 2.273 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.567 2.227 1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.978 3.322 4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.707 3.897 3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.857 5.053 4.122 1.00 0.00 H new ATOM 512 N SER A 35 -5.219 7.196 3.729 1.00 0.00 N ATOM 513 CA SER A 35 -4.375 7.987 4.615 1.00 0.00 C ATOM 514 C SER A 35 -3.542 7.084 5.521 1.00 0.00 C ATOM 515 O SER A 35 -4.058 6.137 6.115 1.00 0.00 O ATOM 516 CB SER A 35 -5.230 8.930 5.463 1.00 0.00 C ATOM 517 OG SER A 35 -6.392 8.274 5.940 1.00 0.00 O ATOM 0 H SER A 35 -6.000 6.732 4.194 1.00 0.00 H new ATOM 0 HA SER A 35 -3.698 8.579 3.998 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.645 9.298 6.306 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.516 9.799 4.870 1.00 0.00 H new ATOM 0 HG SER A 35 -6.921 8.897 6.481 1.00 0.00 H new ATOM 523 N PHE A 36 -2.252 7.385 5.621 1.00 0.00 N ATOM 524 CA PHE A 36 -1.347 6.600 6.452 1.00 0.00 C ATOM 525 C PHE A 36 -0.139 7.430 6.876 1.00 0.00 C ATOM 526 O PHE A 36 0.259 8.365 6.178 1.00 0.00 O ATOM 527 CB PHE A 36 -0.883 5.351 5.702 1.00 0.00 C ATOM 528 CG PHE A 36 -0.307 5.645 4.347 1.00 0.00 C ATOM 529 CD1 PHE A 36 0.882 6.348 4.222 1.00 0.00 C ATOM 530 CD2 PHE A 36 -0.952 5.219 3.197 1.00 0.00 C ATOM 531 CE1 PHE A 36 1.414 6.621 2.977 1.00 0.00 C ATOM 532 CE2 PHE A 36 -0.425 5.489 1.948 1.00 0.00 C ATOM 533 CZ PHE A 36 0.760 6.190 1.839 1.00 0.00 C ATOM 0 H PHE A 36 -1.810 8.167 5.137 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.890 6.296 7.347 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.134 4.834 6.302 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.727 4.670 5.589 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.398 6.686 5.109 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.878 4.669 3.278 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.340 7.171 2.893 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.939 5.153 1.060 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.175 6.401 0.865 1.00 0.00 H new ATOM 543 N GLN A 37 0.439 7.084 8.020 1.00 0.00 N ATOM 544 CA GLN A 37 1.601 7.799 8.536 1.00 0.00 C ATOM 545 C GLN A 37 2.870 6.966 8.372 1.00 0.00 C ATOM 546 O GLN A 37 2.806 5.748 8.212 1.00 0.00 O ATOM 547 CB GLN A 37 1.396 8.151 10.011 1.00 0.00 C ATOM 548 CG GLN A 37 0.518 9.372 10.229 1.00 0.00 C ATOM 549 CD GLN A 37 0.678 9.968 11.613 1.00 0.00 C ATOM 550 OE1 GLN A 37 0.474 9.288 12.620 1.00 0.00 O ATOM 551 NE2 GLN A 37 1.045 11.242 11.672 1.00 0.00 N ATOM 0 H GLN A 37 0.123 6.313 8.608 1.00 0.00 H new ATOM 0 HA GLN A 37 1.715 8.719 7.962 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.950 7.297 10.521 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.368 8.326 10.473 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.762 10.128 9.482 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.525 9.096 10.075 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.203 11.767 10.812 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.169 11.696 12.577 1.00 0.00 H new ATOM 560 N GLU A 38 4.018 7.634 8.412 1.00 0.00 N ATOM 561 CA GLU A 38 5.301 6.956 8.265 1.00 0.00 C ATOM 562 C GLU A 38 5.348 5.691 9.118 1.00 0.00 C ATOM 563 O GLU A 38 4.901 5.687 10.265 1.00 0.00 O ATOM 564 CB GLU A 38 6.445 7.892 8.657 1.00 0.00 C ATOM 565 CG GLU A 38 7.817 7.241 8.584 1.00 0.00 C ATOM 566 CD GLU A 38 8.218 6.580 9.888 1.00 0.00 C ATOM 567 OE1 GLU A 38 7.317 6.246 10.686 1.00 0.00 O ATOM 568 OE2 GLU A 38 9.432 6.394 10.109 1.00 0.00 O ATOM 0 H GLU A 38 4.086 8.643 8.545 1.00 0.00 H new ATOM 0 HA GLU A 38 5.416 6.673 7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.430 8.764 8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.277 8.252 9.672 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.820 6.497 7.788 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.559 7.994 8.319 1.00 0.00 H new ATOM 575 N GLY A 39 5.892 4.620 8.548 1.00 0.00 N ATOM 576 CA GLY A 39 5.987 3.365 9.269 1.00 0.00 C ATOM 577 C GLY A 39 4.698 2.569 9.220 1.00 0.00 C ATOM 578 O GLY A 39 4.217 2.088 10.247 1.00 0.00 O ATOM 0 H GLY A 39 6.268 4.600 7.600 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.795 2.768 8.847 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.247 3.565 10.308 1.00 0.00 H new ATOM 582 N ALA A 40 4.137 2.429 8.024 1.00 0.00 N ATOM 583 CA ALA A 40 2.896 1.685 7.844 1.00 0.00 C ATOM 584 C ALA A 40 3.026 0.662 6.721 1.00 0.00 C ATOM 585 O ALA A 40 3.672 0.921 5.705 1.00 0.00 O ATOM 586 CB ALA A 40 1.744 2.639 7.562 1.00 0.00 C ATOM 0 H ALA A 40 4.522 2.821 7.165 1.00 0.00 H new ATOM 0 HA ALA A 40 2.688 1.146 8.768 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.824 2.070 7.430 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.628 3.327 8.400 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.954 3.205 6.654 1.00 0.00 H new ATOM 592 N ILE A 41 2.410 -0.500 6.910 1.00 0.00 N ATOM 593 CA ILE A 41 2.458 -1.560 5.912 1.00 0.00 C ATOM 594 C ILE A 41 1.240 -1.509 4.997 1.00 0.00 C ATOM 595 O ILE A 41 0.121 -1.268 5.449 1.00 0.00 O ATOM 596 CB ILE A 41 2.533 -2.950 6.570 1.00 0.00 C ATOM 597 CG1 ILE A 41 3.714 -3.017 7.540 1.00 0.00 C ATOM 598 CG2 ILE A 41 2.650 -4.034 5.508 1.00 0.00 C ATOM 599 CD1 ILE A 41 5.062 -2.948 6.855 1.00 0.00 C ATOM 0 H ILE A 41 1.872 -0.731 7.745 1.00 0.00 H new ATOM 0 HA ILE A 41 3.360 -1.397 5.322 1.00 0.00 H new ATOM 0 HB ILE A 41 1.615 -3.118 7.133 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.635 -2.197 8.253 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.653 -3.943 8.111 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.702 -5.011 5.989 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.779 -3.998 4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.553 -3.871 4.920 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.853 -3.001 7.603 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.161 -3.784 6.162 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.144 -2.010 6.306 1.00 0.00 H new ATOM 611 N ILE A 42 1.465 -1.738 3.706 1.00 0.00 N ATOM 612 CA ILE A 42 0.386 -1.721 2.729 1.00 0.00 C ATOM 613 C ILE A 42 0.579 -2.807 1.676 1.00 0.00 C ATOM 614 O ILE A 42 1.704 -3.094 1.264 1.00 0.00 O ATOM 615 CB ILE A 42 0.283 -0.354 2.026 1.00 0.00 C ATOM 616 CG1 ILE A 42 0.051 0.756 3.053 1.00 0.00 C ATOM 617 CG2 ILE A 42 -0.835 -0.371 0.994 1.00 0.00 C ATOM 618 CD1 ILE A 42 0.590 2.102 2.621 1.00 0.00 C ATOM 0 H ILE A 42 2.386 -1.937 3.314 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.537 -1.909 3.277 1.00 0.00 H new ATOM 0 HB ILE A 42 1.223 -0.156 1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.019 0.846 3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.519 0.472 3.995 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.895 0.602 0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.630 -1.139 0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.782 -0.588 1.487 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.390 2.840 3.398 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.665 2.028 2.459 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.104 2.409 1.695 1.00 0.00 H new ATOM 630 N TYR A 43 -0.524 -3.407 1.242 1.00 0.00 N ATOM 631 CA TYR A 43 -0.476 -4.463 0.238 1.00 0.00 C ATOM 632 C TYR A 43 -0.900 -3.934 -1.129 1.00 0.00 C ATOM 633 O TYR A 43 -2.092 -3.815 -1.418 1.00 0.00 O ATOM 634 CB TYR A 43 -1.376 -5.629 0.648 1.00 0.00 C ATOM 635 CG TYR A 43 -0.916 -6.335 1.903 1.00 0.00 C ATOM 636 CD1 TYR A 43 0.038 -7.344 1.847 1.00 0.00 C ATOM 637 CD2 TYR A 43 -1.436 -5.996 3.147 1.00 0.00 C ATOM 638 CE1 TYR A 43 0.461 -7.992 2.991 1.00 0.00 C ATOM 639 CE2 TYR A 43 -1.019 -6.637 4.296 1.00 0.00 C ATOM 640 CZ TYR A 43 -0.071 -7.636 4.213 1.00 0.00 C ATOM 641 OH TYR A 43 0.347 -8.279 5.355 1.00 0.00 O ATOM 0 H TYR A 43 -1.463 -3.180 1.570 1.00 0.00 H new ATOM 0 HA TYR A 43 0.553 -4.816 0.168 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.390 -5.259 0.800 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.419 -6.349 -0.169 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.456 -7.626 0.892 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.180 -5.216 3.216 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.204 -8.773 2.929 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -1.432 -6.358 5.254 1.00 0.00 H new ATOM 0 HH TYR A 43 0.576 -9.208 5.142 1.00 0.00 H new ATOM 651 N VAL A 44 0.082 -3.618 -1.966 1.00 0.00 N ATOM 652 CA VAL A 44 -0.189 -3.105 -3.304 1.00 0.00 C ATOM 653 C VAL A 44 -0.903 -4.145 -4.159 1.00 0.00 C ATOM 654 O VAL A 44 -0.267 -5.007 -4.765 1.00 0.00 O ATOM 655 CB VAL A 44 1.110 -2.675 -4.013 1.00 0.00 C ATOM 656 CG1 VAL A 44 0.795 -1.993 -5.336 1.00 0.00 C ATOM 657 CG2 VAL A 44 1.931 -1.764 -3.116 1.00 0.00 C ATOM 0 H VAL A 44 1.073 -3.708 -1.742 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.835 -2.235 -3.185 1.00 0.00 H new ATOM 0 HB VAL A 44 1.701 -3.567 -4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.724 -1.696 -5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.252 -2.684 -5.981 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.183 -1.110 -5.153 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.844 -1.471 -3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.351 -0.874 -2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.188 -2.293 -2.198 1.00 0.00 H new ATOM 667 N ILE A 45 -2.227 -4.058 -4.202 1.00 0.00 N ATOM 668 CA ILE A 45 -3.029 -4.992 -4.985 1.00 0.00 C ATOM 669 C ILE A 45 -3.199 -4.503 -6.418 1.00 0.00 C ATOM 670 O ILE A 45 -3.245 -5.299 -7.357 1.00 0.00 O ATOM 671 CB ILE A 45 -4.419 -5.203 -4.359 1.00 0.00 C ATOM 672 CG1 ILE A 45 -5.178 -3.875 -4.290 1.00 0.00 C ATOM 673 CG2 ILE A 45 -4.289 -5.817 -2.972 1.00 0.00 C ATOM 674 CD1 ILE A 45 -6.623 -4.027 -3.869 1.00 0.00 C ATOM 0 H ILE A 45 -2.768 -3.351 -3.704 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.493 -5.941 -4.988 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.983 -5.891 -4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.671 -3.212 -3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.141 -3.393 -5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.281 -5.960 -2.543 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.784 -6.780 -3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.709 -5.151 -2.332 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.099 -3.047 -3.842 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.145 -4.664 -4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.668 -4.480 -2.879 1.00 0.00 H new ATOM 686 N LYS A 46 -3.288 -3.187 -6.583 1.00 0.00 N ATOM 687 CA LYS A 46 -3.449 -2.589 -7.903 1.00 0.00 C ATOM 688 C LYS A 46 -2.373 -1.539 -8.160 1.00 0.00 C ATOM 689 O LYS A 46 -1.913 -0.868 -7.236 1.00 0.00 O ATOM 690 CB LYS A 46 -4.836 -1.958 -8.033 1.00 0.00 C ATOM 691 CG LYS A 46 -5.284 -1.763 -9.472 1.00 0.00 C ATOM 692 CD LYS A 46 -5.768 -3.066 -10.086 1.00 0.00 C ATOM 693 CE LYS A 46 -7.216 -3.351 -9.718 1.00 0.00 C ATOM 694 NZ LYS A 46 -8.165 -2.537 -10.526 1.00 0.00 N ATOM 0 H LYS A 46 -3.251 -2.514 -5.818 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.345 -3.378 -8.648 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.562 -2.587 -7.518 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.835 -0.992 -7.528 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.084 -1.023 -9.508 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.457 -1.367 -10.061 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.670 -3.017 -11.170 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.137 -3.887 -9.746 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.427 -4.410 -9.868 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.369 -3.142 -8.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.024 -2.351 -9.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.717 -1.635 -10.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.419 -3.056 -11.391 1.00 0.00 H new ATOM 708 N LYS A 47 -1.976 -1.400 -9.421 1.00 0.00 N ATOM 709 CA LYS A 47 -0.957 -0.428 -9.800 1.00 0.00 C ATOM 710 C LYS A 47 -1.356 0.309 -11.073 1.00 0.00 C ATOM 711 O LYS A 47 -1.418 -0.281 -12.150 1.00 0.00 O ATOM 712 CB LYS A 47 0.390 -1.125 -10.002 1.00 0.00 C ATOM 713 CG LYS A 47 0.881 -1.869 -8.771 1.00 0.00 C ATOM 714 CD LYS A 47 2.398 -1.962 -8.746 1.00 0.00 C ATOM 715 CE LYS A 47 3.017 -0.776 -8.020 1.00 0.00 C ATOM 716 NZ LYS A 47 4.463 -0.627 -8.336 1.00 0.00 N ATOM 0 H LYS A 47 -2.345 -1.949 -10.198 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.866 0.300 -8.994 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.305 -1.828 -10.831 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.135 -0.382 -10.288 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.532 -1.360 -7.873 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.453 -2.872 -8.756 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.699 -2.888 -8.256 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.778 -2.004 -9.767 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.489 0.136 -8.298 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.891 -0.902 -6.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.760 0.352 -8.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.017 -1.277 -7.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.624 -0.852 -9.338 1.00 0.00 H new ATOM 730 N ASN A 48 -1.626 1.604 -10.941 1.00 0.00 N ATOM 731 CA ASN A 48 -2.018 2.423 -12.083 1.00 0.00 C ATOM 732 C ASN A 48 -0.791 2.992 -12.791 1.00 0.00 C ATOM 733 O ASN A 48 0.246 3.222 -12.170 1.00 0.00 O ATOM 734 CB ASN A 48 -2.933 3.563 -11.629 1.00 0.00 C ATOM 735 CG ASN A 48 -4.330 3.081 -11.289 1.00 0.00 C ATOM 736 OD1 ASN A 48 -4.620 1.888 -11.354 1.00 0.00 O ATOM 737 ND2 ASN A 48 -5.203 4.012 -10.921 1.00 0.00 N ATOM 0 H ASN A 48 -1.581 2.108 -10.056 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.559 1.789 -12.785 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.497 4.050 -10.757 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.992 4.314 -12.417 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.158 3.748 -10.678 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.918 4.991 -10.881 1.00 0.00 H new ATOM 744 N ASP A 49 -0.919 3.217 -14.094 1.00 0.00 N ATOM 745 CA ASP A 49 0.178 3.761 -14.887 1.00 0.00 C ATOM 746 C ASP A 49 0.891 4.878 -14.133 1.00 0.00 C ATOM 747 O ASP A 49 2.118 4.884 -14.030 1.00 0.00 O ATOM 748 CB ASP A 49 -0.345 4.286 -16.226 1.00 0.00 C ATOM 749 CG ASP A 49 -0.359 3.217 -17.301 1.00 0.00 C ATOM 750 OD1 ASP A 49 0.383 2.221 -17.158 1.00 0.00 O ATOM 751 OD2 ASP A 49 -1.110 3.375 -18.285 1.00 0.00 O ATOM 0 H ASP A 49 -1.771 3.031 -14.624 1.00 0.00 H new ATOM 0 HA ASP A 49 0.892 2.959 -15.073 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.354 4.675 -16.091 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.277 5.119 -16.554 1.00 0.00 H new ATOM 756 N ASP A 50 0.116 5.822 -13.609 1.00 0.00 N ATOM 757 CA ASP A 50 0.676 6.943 -12.865 1.00 0.00 C ATOM 758 C ASP A 50 1.188 6.490 -11.502 1.00 0.00 C ATOM 759 O ASP A 50 1.027 5.332 -11.121 1.00 0.00 O ATOM 760 CB ASP A 50 -0.375 8.040 -12.689 1.00 0.00 C ATOM 761 CG ASP A 50 -1.042 8.420 -13.997 1.00 0.00 C ATOM 762 OD1 ASP A 50 -2.020 7.744 -14.382 1.00 0.00 O ATOM 763 OD2 ASP A 50 -0.584 9.389 -14.637 1.00 0.00 O ATOM 0 H ASP A 50 -0.901 5.833 -13.686 1.00 0.00 H new ATOM 0 HA ASP A 50 1.516 7.341 -13.434 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.133 7.702 -11.983 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.095 8.922 -12.254 1.00 0.00 H new ATOM 768 N GLY A 51 1.808 7.412 -10.771 1.00 0.00 N ATOM 769 CA GLY A 51 2.336 7.086 -9.460 1.00 0.00 C ATOM 770 C GLY A 51 1.247 6.943 -8.414 1.00 0.00 C ATOM 771 O GLY A 51 1.212 7.689 -7.437 1.00 0.00 O ATOM 0 H GLY A 51 1.954 8.378 -11.064 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.901 6.156 -9.521 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.034 7.864 -9.149 1.00 0.00 H new ATOM 775 N TRP A 52 0.354 5.981 -8.623 1.00 0.00 N ATOM 776 CA TRP A 52 -0.743 5.743 -7.693 1.00 0.00 C ATOM 777 C TRP A 52 -1.171 4.279 -7.718 1.00 0.00 C ATOM 778 O TRP A 52 -1.738 3.806 -8.704 1.00 0.00 O ATOM 779 CB TRP A 52 -1.934 6.641 -8.034 1.00 0.00 C ATOM 780 CG TRP A 52 -1.708 8.082 -7.690 1.00 0.00 C ATOM 781 CD1 TRP A 52 -1.095 9.024 -8.466 1.00 0.00 C ATOM 782 CD2 TRP A 52 -2.091 8.745 -6.480 1.00 0.00 C ATOM 783 NE1 TRP A 52 -1.074 10.232 -7.813 1.00 0.00 N ATOM 784 CE2 TRP A 52 -1.681 10.088 -6.592 1.00 0.00 C ATOM 785 CE3 TRP A 52 -2.744 8.334 -5.314 1.00 0.00 C ATOM 786 CZ2 TRP A 52 -1.900 11.019 -5.581 1.00 0.00 C ATOM 787 CZ3 TRP A 52 -2.961 9.261 -4.312 1.00 0.00 C ATOM 788 CH2 TRP A 52 -2.541 10.590 -4.451 1.00 0.00 C ATOM 0 H TRP A 52 0.369 5.354 -9.428 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.392 5.983 -6.689 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.149 6.558 -9.099 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.815 6.282 -7.502 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.686 8.845 -9.450 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.672 11.096 -8.177 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -3.073 7.312 -5.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -1.575 12.044 -5.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -3.463 8.955 -3.406 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -2.727 11.290 -3.650 1.00 0.00 H new ATOM 799 N TYR A 53 -0.896 3.568 -6.632 1.00 0.00 N ATOM 800 CA TYR A 53 -1.250 2.157 -6.530 1.00 0.00 C ATOM 801 C TYR A 53 -2.329 1.941 -5.475 1.00 0.00 C ATOM 802 O TYR A 53 -2.430 2.698 -4.511 1.00 0.00 O ATOM 803 CB TYR A 53 -0.013 1.322 -6.193 1.00 0.00 C ATOM 804 CG TYR A 53 1.201 1.672 -7.024 1.00 0.00 C ATOM 805 CD1 TYR A 53 1.073 2.018 -8.364 1.00 0.00 C ATOM 806 CD2 TYR A 53 2.474 1.659 -6.469 1.00 0.00 C ATOM 807 CE1 TYR A 53 2.179 2.337 -9.126 1.00 0.00 C ATOM 808 CE2 TYR A 53 3.586 1.978 -7.224 1.00 0.00 C ATOM 809 CZ TYR A 53 3.433 2.317 -8.553 1.00 0.00 C ATOM 810 OH TYR A 53 4.538 2.636 -9.309 1.00 0.00 O ATOM 0 H TYR A 53 -0.428 3.945 -5.808 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.643 1.836 -7.495 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.229 1.456 -5.139 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.248 0.267 -6.335 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.093 2.038 -8.816 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.597 1.395 -5.429 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.063 2.601 -10.167 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.569 1.962 -6.777 1.00 0.00 H new ATOM 0 HH TYR A 53 5.343 2.574 -8.754 1.00 0.00 H new ATOM 820 N GLU A 54 -3.131 0.899 -5.663 1.00 0.00 N ATOM 821 CA GLU A 54 -4.203 0.580 -4.727 1.00 0.00 C ATOM 822 C GLU A 54 -3.785 -0.540 -3.780 1.00 0.00 C ATOM 823 O GLU A 54 -3.349 -1.605 -4.217 1.00 0.00 O ATOM 824 CB GLU A 54 -5.471 0.178 -5.484 1.00 0.00 C ATOM 825 CG GLU A 54 -6.755 0.520 -4.747 1.00 0.00 C ATOM 826 CD GLU A 54 -7.989 -0.006 -5.452 1.00 0.00 C ATOM 827 OE1 GLU A 54 -7.869 -1.001 -6.198 1.00 0.00 O ATOM 828 OE2 GLU A 54 -9.076 0.579 -5.259 1.00 0.00 O ATOM 0 H GLU A 54 -3.059 0.261 -6.455 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.410 1.472 -4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.477 0.673 -6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.446 -0.895 -5.674 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.713 0.106 -3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.833 1.602 -4.644 1.00 0.00 H new ATOM 835 N GLY A 55 -3.920 -0.293 -2.481 1.00 0.00 N ATOM 836 CA GLY A 55 -3.552 -1.291 -1.493 1.00 0.00 C ATOM 837 C GLY A 55 -4.470 -1.280 -0.287 1.00 0.00 C ATOM 838 O GLY A 55 -5.188 -0.307 -0.052 1.00 0.00 O ATOM 0 H GLY A 55 -4.278 0.581 -2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.574 -2.279 -1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.527 -1.114 -1.167 1.00 0.00 H new ATOM 842 N VAL A 56 -4.450 -2.365 0.480 1.00 0.00 N ATOM 843 CA VAL A 56 -5.288 -2.477 1.668 1.00 0.00 C ATOM 844 C VAL A 56 -4.508 -2.112 2.926 1.00 0.00 C ATOM 845 O VAL A 56 -3.341 -2.471 3.071 1.00 0.00 O ATOM 846 CB VAL A 56 -5.855 -3.900 1.823 1.00 0.00 C ATOM 847 CG1 VAL A 56 -6.656 -4.019 3.109 1.00 0.00 C ATOM 848 CG2 VAL A 56 -6.707 -4.268 0.617 1.00 0.00 C ATOM 0 H VAL A 56 -3.863 -3.179 0.300 1.00 0.00 H new ATOM 0 HA VAL A 56 -6.114 -1.777 1.540 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.022 -4.601 1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.049 -5.032 3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.011 -3.801 3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.483 -3.310 3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.100 -5.277 0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.535 -3.565 0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.097 -4.226 -0.286 1.00 0.00 H new ATOM 858 N MET A 57 -5.163 -1.396 3.835 1.00 0.00 N ATOM 859 CA MET A 57 -4.532 -0.984 5.082 1.00 0.00 C ATOM 860 C MET A 57 -5.575 -0.784 6.179 1.00 0.00 C ATOM 861 O MET A 57 -6.375 0.148 6.123 1.00 0.00 O ATOM 862 CB MET A 57 -3.738 0.307 4.875 1.00 0.00 C ATOM 863 CG MET A 57 -2.551 0.447 5.814 1.00 0.00 C ATOM 864 SD MET A 57 -2.158 2.168 6.183 1.00 0.00 S ATOM 865 CE MET A 57 -3.483 2.583 7.314 1.00 0.00 C ATOM 0 H MET A 57 -6.130 -1.090 3.730 1.00 0.00 H new ATOM 0 HA MET A 57 -3.850 -1.775 5.394 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.383 0.344 3.845 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.403 1.159 5.014 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.764 -0.081 6.744 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.680 -0.033 5.367 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.248 3.519 7.822 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.414 2.695 6.758 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.594 1.788 8.051 1.00 0.00 H new ATOM 875 N ASN A 58 -5.557 -1.664 7.173 1.00 0.00 N ATOM 876 CA ASN A 58 -6.501 -1.584 8.282 1.00 0.00 C ATOM 877 C ASN A 58 -7.934 -1.748 7.788 1.00 0.00 C ATOM 878 O ASN A 58 -8.847 -1.072 8.263 1.00 0.00 O ATOM 879 CB ASN A 58 -6.350 -0.247 9.011 1.00 0.00 C ATOM 880 CG ASN A 58 -7.324 -0.106 10.166 1.00 0.00 C ATOM 881 OD1 ASN A 58 -7.231 -0.823 11.162 1.00 0.00 O ATOM 882 ND2 ASN A 58 -8.264 0.824 10.037 1.00 0.00 N ATOM 0 H ASN A 58 -4.899 -2.441 7.234 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.280 -2.395 8.975 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.331 -0.153 9.385 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.507 0.569 8.305 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.946 0.966 10.782 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.303 1.396 9.193 1.00 0.00 H new ATOM 889 N GLY A 59 -8.126 -2.650 6.831 1.00 0.00 N ATOM 890 CA GLY A 59 -9.451 -2.888 6.289 1.00 0.00 C ATOM 891 C GLY A 59 -9.831 -1.878 5.224 1.00 0.00 C ATOM 892 O GLY A 59 -10.513 -2.214 4.255 1.00 0.00 O ATOM 0 H GLY A 59 -7.387 -3.221 6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.492 -3.891 5.865 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.182 -2.853 7.096 1.00 0.00 H new ATOM 896 N VAL A 60 -9.390 -0.638 5.403 1.00 0.00 N ATOM 897 CA VAL A 60 -9.689 0.426 4.450 1.00 0.00 C ATOM 898 C VAL A 60 -8.759 0.358 3.243 1.00 0.00 C ATOM 899 O VAL A 60 -7.541 0.264 3.388 1.00 0.00 O ATOM 900 CB VAL A 60 -9.565 1.816 5.101 1.00 0.00 C ATOM 901 CG1 VAL A 60 -9.834 2.910 4.081 1.00 0.00 C ATOM 902 CG2 VAL A 60 -10.514 1.934 6.285 1.00 0.00 C ATOM 0 H VAL A 60 -8.824 -0.344 6.199 1.00 0.00 H new ATOM 0 HA VAL A 60 -10.718 0.278 4.123 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.545 1.938 5.467 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.742 3.885 4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.112 2.835 3.268 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.842 2.796 3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.414 2.922 6.734 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.540 1.792 5.945 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.269 1.173 7.025 1.00 0.00 H new ATOM 912 N THR A 61 -9.343 0.405 2.050 1.00 0.00 N ATOM 913 CA THR A 61 -8.568 0.349 0.816 1.00 0.00 C ATOM 914 C THR A 61 -8.722 1.635 0.011 1.00 0.00 C ATOM 915 O THR A 61 -9.834 2.112 -0.209 1.00 0.00 O ATOM 916 CB THR A 61 -8.992 -0.845 -0.058 1.00 0.00 C ATOM 917 OG1 THR A 61 -8.830 -2.067 0.669 1.00 0.00 O ATOM 918 CG2 THR A 61 -8.170 -0.898 -1.338 1.00 0.00 C ATOM 0 H THR A 61 -10.351 0.482 1.912 1.00 0.00 H new ATOM 0 HA THR A 61 -7.524 0.227 1.103 1.00 0.00 H new ATOM 0 HB THR A 61 -10.041 -0.717 -0.323 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.494 -2.720 0.363 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.488 -1.750 -1.939 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.319 0.021 -1.904 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.114 -1.004 -1.088 1.00 0.00 H new ATOM 926 N GLY A 62 -7.597 2.190 -0.427 1.00 0.00 N ATOM 927 CA GLY A 62 -7.630 3.416 -1.204 1.00 0.00 C ATOM 928 C GLY A 62 -6.376 3.609 -2.035 1.00 0.00 C ATOM 929 O GLY A 62 -5.357 2.962 -1.794 1.00 0.00 O ATOM 0 H GLY A 62 -6.664 1.814 -0.258 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.499 3.403 -1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.751 4.266 -0.532 1.00 0.00 H new ATOM 933 N LEU A 63 -6.451 4.499 -3.018 1.00 0.00 N ATOM 934 CA LEU A 63 -5.315 4.775 -3.891 1.00 0.00 C ATOM 935 C LEU A 63 -4.327 5.720 -3.215 1.00 0.00 C ATOM 936 O LEU A 63 -4.689 6.824 -2.808 1.00 0.00 O ATOM 937 CB LEU A 63 -5.794 5.377 -5.211 1.00 0.00 C ATOM 938 CG LEU A 63 -6.112 4.381 -6.328 1.00 0.00 C ATOM 939 CD1 LEU A 63 -7.160 4.952 -7.270 1.00 0.00 C ATOM 940 CD2 LEU A 63 -4.847 4.017 -7.093 1.00 0.00 C ATOM 0 H LEU A 63 -7.287 5.043 -3.231 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.807 3.832 -4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.688 5.969 -5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.029 6.065 -5.572 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.514 3.474 -5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.373 4.230 -8.058 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.073 5.162 -6.714 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.786 5.874 -7.715 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.091 3.308 -7.884 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.416 4.917 -7.533 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.126 3.566 -6.411 1.00 0.00 H new ATOM 952 N PHE A 64 -3.079 5.282 -3.102 1.00 0.00 N ATOM 953 CA PHE A 64 -2.036 6.089 -2.477 1.00 0.00 C ATOM 954 C PHE A 64 -0.954 6.457 -3.487 1.00 0.00 C ATOM 955 O PHE A 64 -0.698 5.735 -4.451 1.00 0.00 O ATOM 956 CB PHE A 64 -1.417 5.337 -1.298 1.00 0.00 C ATOM 957 CG PHE A 64 -0.810 4.018 -1.681 1.00 0.00 C ATOM 958 CD1 PHE A 64 0.409 3.966 -2.340 1.00 0.00 C ATOM 959 CD2 PHE A 64 -1.458 2.830 -1.385 1.00 0.00 C ATOM 960 CE1 PHE A 64 0.969 2.752 -2.694 1.00 0.00 C ATOM 961 CE2 PHE A 64 -0.902 1.614 -1.737 1.00 0.00 C ATOM 962 CZ PHE A 64 0.313 1.576 -2.393 1.00 0.00 C ATOM 0 H PHE A 64 -2.763 4.371 -3.435 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.493 7.008 -2.111 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.650 5.962 -0.841 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.184 5.169 -0.542 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.927 4.883 -2.579 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.409 2.854 -0.873 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.920 2.724 -3.206 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.417 0.695 -1.499 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.749 0.627 -2.670 1.00 0.00 H new ATOM 972 N PRO A 65 -0.304 7.609 -3.264 1.00 0.00 N ATOM 973 CA PRO A 65 0.761 8.101 -4.143 1.00 0.00 C ATOM 974 C PRO A 65 2.026 7.255 -4.049 1.00 0.00 C ATOM 975 O PRO A 65 2.643 7.157 -2.989 1.00 0.00 O ATOM 976 CB PRO A 65 1.025 9.516 -3.624 1.00 0.00 C ATOM 977 CG PRO A 65 0.596 9.482 -2.197 1.00 0.00 C ATOM 978 CD PRO A 65 -0.558 8.520 -2.135 1.00 0.00 C ATOM 0 HA PRO A 65 0.472 8.065 -5.193 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.078 9.781 -3.715 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.460 10.257 -4.190 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.412 9.155 -1.552 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.297 10.473 -1.856 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.585 7.985 -1.185 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.514 9.032 -2.239 1.00 0.00 H new ATOM 986 N GLY A 66 2.408 6.642 -5.166 1.00 0.00 N ATOM 987 CA GLY A 66 3.598 5.812 -5.189 1.00 0.00 C ATOM 988 C GLY A 66 4.829 6.553 -4.706 1.00 0.00 C ATOM 989 O GLY A 66 5.863 5.941 -4.438 1.00 0.00 O ATOM 0 H GLY A 66 1.914 6.706 -6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.437 4.934 -4.564 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.768 5.454 -6.204 1.00 0.00 H new ATOM 993 N ASN A 67 4.719 7.872 -4.597 1.00 0.00 N ATOM 994 CA ASN A 67 5.835 8.697 -4.147 1.00 0.00 C ATOM 995 C ASN A 67 6.029 8.572 -2.638 1.00 0.00 C ATOM 996 O ASN A 67 7.153 8.623 -2.140 1.00 0.00 O ATOM 997 CB ASN A 67 5.599 10.161 -4.523 1.00 0.00 C ATOM 998 CG ASN A 67 5.112 10.319 -5.950 1.00 0.00 C ATOM 999 OD1 ASN A 67 3.965 10.700 -6.188 1.00 0.00 O ATOM 1000 ND2 ASN A 67 5.983 10.027 -6.909 1.00 0.00 N ATOM 0 H ASN A 67 3.869 8.393 -4.814 1.00 0.00 H new ATOM 0 HA ASN A 67 6.739 8.344 -4.643 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.867 10.595 -3.842 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.525 10.721 -4.394 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.712 10.115 -7.888 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.923 9.715 -6.666 1.00 0.00 H new ATOM 1007 N TYR A 68 4.925 8.409 -1.917 1.00 0.00 N ATOM 1008 CA TYR A 68 4.972 8.279 -0.466 1.00 0.00 C ATOM 1009 C TYR A 68 4.999 6.811 -0.051 1.00 0.00 C ATOM 1010 O TYR A 68 4.467 6.439 0.995 1.00 0.00 O ATOM 1011 CB TYR A 68 3.769 8.978 0.168 1.00 0.00 C ATOM 1012 CG TYR A 68 3.720 10.465 -0.101 1.00 0.00 C ATOM 1013 CD1 TYR A 68 3.473 10.950 -1.380 1.00 0.00 C ATOM 1014 CD2 TYR A 68 3.923 11.383 0.920 1.00 0.00 C ATOM 1015 CE1 TYR A 68 3.427 12.308 -1.632 1.00 0.00 C ATOM 1016 CE2 TYR A 68 3.879 12.743 0.678 1.00 0.00 C ATOM 1017 CZ TYR A 68 3.630 13.201 -0.600 1.00 0.00 C ATOM 1018 OH TYR A 68 3.587 14.553 -0.846 1.00 0.00 O ATOM 0 H TYR A 68 3.987 8.364 -2.314 1.00 0.00 H new ATOM 0 HA TYR A 68 5.887 8.754 -0.113 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.854 8.519 -0.207 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.790 8.813 1.245 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.314 10.254 -2.190 1.00 0.00 H new ATOM 0 HD2 TYR A 68 4.119 11.028 1.921 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.233 12.668 -2.631 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.039 13.443 1.484 1.00 0.00 H new ATOM 0 HH TYR A 68 3.749 15.042 -0.013 1.00 0.00 H new ATOM 1028 N VAL A 69 5.624 5.981 -0.879 1.00 0.00 N ATOM 1029 CA VAL A 69 5.723 4.552 -0.600 1.00 0.00 C ATOM 1030 C VAL A 69 6.885 3.923 -1.360 1.00 0.00 C ATOM 1031 O VAL A 69 7.122 4.242 -2.524 1.00 0.00 O ATOM 1032 CB VAL A 69 4.422 3.817 -0.971 1.00 0.00 C ATOM 1033 CG1 VAL A 69 3.265 4.309 -0.115 1.00 0.00 C ATOM 1034 CG2 VAL A 69 4.113 3.992 -2.451 1.00 0.00 C ATOM 0 H VAL A 69 6.070 6.273 -1.749 1.00 0.00 H new ATOM 0 HA VAL A 69 5.896 4.449 0.471 1.00 0.00 H new ATOM 0 HB VAL A 69 4.560 2.754 -0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.355 3.777 -0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.486 4.125 0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.123 5.378 -0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.190 3.466 -2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.996 5.052 -2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.931 3.584 -3.044 1.00 0.00 H new ATOM 1044 N GLU A 70 7.605 3.026 -0.692 1.00 0.00 N ATOM 1045 CA GLU A 70 8.744 2.353 -1.305 1.00 0.00 C ATOM 1046 C GLU A 70 8.538 0.840 -1.318 1.00 0.00 C ATOM 1047 O GLU A 70 7.756 0.303 -0.534 1.00 0.00 O ATOM 1048 CB GLU A 70 10.033 2.696 -0.557 1.00 0.00 C ATOM 1049 CG GLU A 70 10.689 3.981 -1.033 1.00 0.00 C ATOM 1050 CD GLU A 70 11.458 3.799 -2.327 1.00 0.00 C ATOM 1051 OE1 GLU A 70 12.218 2.814 -2.434 1.00 0.00 O ATOM 1052 OE2 GLU A 70 11.295 4.641 -3.236 1.00 0.00 O ATOM 0 H GLU A 70 7.420 2.749 0.272 1.00 0.00 H new ATOM 0 HA GLU A 70 8.828 2.701 -2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.814 2.783 0.507 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.739 1.874 -0.671 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.924 4.745 -1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.366 4.347 -0.261 1.00 0.00 H new ATOM 1059 N SER A 71 9.246 0.161 -2.215 1.00 0.00 N ATOM 1060 CA SER A 71 9.138 -1.290 -2.334 1.00 0.00 C ATOM 1061 C SER A 71 10.153 -1.985 -1.432 1.00 0.00 C ATOM 1062 O SER A 71 11.349 -1.696 -1.485 1.00 0.00 O ATOM 1063 CB SER A 71 9.351 -1.720 -3.786 1.00 0.00 C ATOM 1064 OG SER A 71 10.598 -1.260 -4.277 1.00 0.00 O ATOM 0 H SER A 71 9.900 0.591 -2.869 1.00 0.00 H new ATOM 0 HA SER A 71 8.137 -1.583 -2.019 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.307 -2.807 -3.857 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.545 -1.328 -4.407 1.00 0.00 H new ATOM 0 HG SER A 71 11.219 -1.138 -3.529 1.00 0.00 H new ATOM 1070 N ILE A 72 9.666 -2.902 -0.602 1.00 0.00 N ATOM 1071 CA ILE A 72 10.530 -3.640 0.311 1.00 0.00 C ATOM 1072 C ILE A 72 10.613 -5.112 -0.079 1.00 0.00 C ATOM 1073 O ILE A 72 11.669 -5.735 0.031 1.00 0.00 O ATOM 1074 CB ILE A 72 10.033 -3.534 1.765 1.00 0.00 C ATOM 1075 CG1 ILE A 72 8.601 -4.061 1.877 1.00 0.00 C ATOM 1076 CG2 ILE A 72 10.112 -2.094 2.248 1.00 0.00 C ATOM 1077 CD1 ILE A 72 8.123 -4.214 3.305 1.00 0.00 C ATOM 0 H ILE A 72 8.679 -3.151 -0.543 1.00 0.00 H new ATOM 0 HA ILE A 72 11.521 -3.191 0.240 1.00 0.00 H new ATOM 0 HB ILE A 72 10.676 -4.145 2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.931 -3.383 1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.538 -5.027 1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.757 -2.035 3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.145 -1.750 2.200 1.00 0.00 H new ATOM 0 HG23 ILE A 72 9.490 -1.463 1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.100 -4.592 3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.770 -4.915 3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.154 -3.246 3.805 1.00 0.00 H new ATOM 1089 N SER A 73 9.494 -5.661 -0.540 1.00 0.00 N ATOM 1090 CA SER A 73 9.439 -7.060 -0.946 1.00 0.00 C ATOM 1091 C SER A 73 9.385 -7.183 -2.466 1.00 0.00 C ATOM 1092 O SER A 73 8.333 -7.004 -3.078 1.00 0.00 O ATOM 1093 CB SER A 73 8.222 -7.747 -0.323 1.00 0.00 C ATOM 1094 OG SER A 73 8.378 -7.890 1.078 1.00 0.00 O ATOM 0 H SER A 73 8.613 -5.158 -0.642 1.00 0.00 H new ATOM 0 HA SER A 73 10.345 -7.551 -0.591 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.325 -7.166 -0.535 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.081 -8.727 -0.778 1.00 0.00 H new ATOM 0 HG SER A 73 7.586 -8.330 1.452 1.00 0.00 H new ATOM 1100 N GLY A 74 10.529 -7.492 -3.069 1.00 0.00 N ATOM 1101 CA GLY A 74 10.591 -7.633 -4.512 1.00 0.00 C ATOM 1102 C GLY A 74 12.000 -7.890 -5.009 1.00 0.00 C ATOM 1103 O GLY A 74 12.937 -8.055 -4.228 1.00 0.00 O ATOM 0 H GLY A 74 11.413 -7.647 -2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.944 -8.454 -4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.203 -6.728 -4.980 1.00 0.00 H new ATOM 1107 N PRO A 75 12.165 -7.931 -6.339 1.00 0.00 N ATOM 1108 CA PRO A 75 13.466 -8.171 -6.970 1.00 0.00 C ATOM 1109 C PRO A 75 14.424 -6.998 -6.788 1.00 0.00 C ATOM 1110 O PRO A 75 15.554 -7.027 -7.276 1.00 0.00 O ATOM 1111 CB PRO A 75 13.116 -8.351 -8.450 1.00 0.00 C ATOM 1112 CG PRO A 75 11.840 -7.607 -8.631 1.00 0.00 C ATOM 1113 CD PRO A 75 11.093 -7.744 -7.332 1.00 0.00 C ATOM 0 HA PRO A 75 13.979 -9.027 -6.532 1.00 0.00 H new ATOM 0 HB2 PRO A 75 13.901 -7.953 -9.093 1.00 0.00 H new ATOM 0 HB3 PRO A 75 12.999 -9.405 -8.704 1.00 0.00 H new ATOM 0 HG2 PRO A 75 12.029 -6.559 -8.864 1.00 0.00 H new ATOM 0 HG3 PRO A 75 11.262 -8.018 -9.459 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.496 -6.858 -7.117 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.409 -8.593 -7.349 1.00 0.00 H new ATOM 1121 N SER A 76 13.964 -5.969 -6.083 1.00 0.00 N ATOM 1122 CA SER A 76 14.781 -4.786 -5.840 1.00 0.00 C ATOM 1123 C SER A 76 15.131 -4.661 -4.360 1.00 0.00 C ATOM 1124 O SER A 76 14.483 -3.925 -3.618 1.00 0.00 O ATOM 1125 CB SER A 76 14.044 -3.528 -6.308 1.00 0.00 C ATOM 1126 OG SER A 76 14.891 -2.393 -6.258 1.00 0.00 O ATOM 0 H SER A 76 13.032 -5.931 -5.671 1.00 0.00 H new ATOM 0 HA SER A 76 15.706 -4.891 -6.407 1.00 0.00 H new ATOM 0 HB2 SER A 76 13.683 -3.672 -7.326 1.00 0.00 H new ATOM 0 HB3 SER A 76 13.169 -3.361 -5.680 1.00 0.00 H new ATOM 0 HG SER A 76 14.398 -1.603 -6.563 1.00 0.00 H new ATOM 1132 N SER A 77 16.161 -5.387 -3.940 1.00 0.00 N ATOM 1133 CA SER A 77 16.596 -5.363 -2.548 1.00 0.00 C ATOM 1134 C SER A 77 17.215 -4.013 -2.196 1.00 0.00 C ATOM 1135 O SER A 77 18.426 -3.828 -2.297 1.00 0.00 O ATOM 1136 CB SER A 77 17.607 -6.482 -2.288 1.00 0.00 C ATOM 1137 OG SER A 77 17.630 -6.840 -0.917 1.00 0.00 O ATOM 0 H SER A 77 16.710 -5.999 -4.543 1.00 0.00 H new ATOM 0 HA SER A 77 15.721 -5.519 -1.917 1.00 0.00 H new ATOM 0 HB2 SER A 77 17.352 -7.354 -2.891 1.00 0.00 H new ATOM 0 HB3 SER A 77 18.600 -6.159 -2.599 1.00 0.00 H new ATOM 0 HG SER A 77 18.282 -7.558 -0.777 1.00 0.00 H new ATOM 1143 N GLY A 78 16.371 -3.074 -1.782 1.00 0.00 N ATOM 1144 CA GLY A 78 16.851 -1.752 -1.421 1.00 0.00 C ATOM 1145 C GLY A 78 16.627 -1.435 0.043 1.00 0.00 C ATOM 1146 O GLY A 78 16.047 -2.234 0.779 1.00 0.00 O ATOM 0 H GLY A 78 15.364 -3.204 -1.690 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.915 -1.681 -1.646 1.00 0.00 H new ATOM 0 HA3 GLY A 78 16.345 -1.005 -2.033 1.00 0.00 H new TER 1150 GLY A 78