USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 589 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.0171 (180deg=-0.113) USER MOD Single : A 3 HIS : no HD1:sc= -0.351 X(o=-0.35,f=-0.36) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 5 HIS : no HD1:sc= -0.39 X(o=-0.39,f=-0.63) USER MOD Single : A 6 HIS : no HD1:sc= -0.337 X(o=-0.34,f=-0.0073) USER MOD Single : A 7 HIS : no HD1:sc= -0.0149 X(o=-0.015,f=-0.0068) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.308 USER MOD Single : A 18 LYS NZ :NH3+ -129:sc= -0.894 (180deg=-2.57!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 29 MET CE :methyl 162:sc= -0.22 (180deg=-0.723) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -126:sc= -0.541 (180deg=-2.31!) USER MOD Single : A 36 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.69) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -76:sc= 0.545 USER MOD Single : A 49 LYS NZ :NH3+ -121:sc= 1.61 (180deg=-4.97!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.331 K(o=-0.33,f=-1.2) USER MOD Single : A 62 GLN : amide:sc= 0.302 X(o=0.3,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.804 20.043 -55.637 1.00 15.11 N ATOM 2 CA MET A 1 26.548 19.618 -54.418 1.00 1.10 C ATOM 3 C MET A 1 25.595 19.382 -53.237 1.00 62.32 C ATOM 4 O MET A 1 24.396 19.635 -53.336 1.00 32.52 O ATOM 5 CB MET A 1 27.601 20.673 -54.044 1.00 33.35 C ATOM 6 CG MET A 1 27.021 22.052 -53.753 1.00 12.33 C ATOM 7 SD MET A 1 28.283 23.264 -53.326 1.00 32.21 S ATOM 8 CE MET A 1 27.287 24.744 -53.157 1.00 55.34 C ATOM 0 H1 MET A 1 26.315 20.820 -56.102 1.00 15.11 H new ATOM 0 H2 MET A 1 25.724 19.240 -56.293 1.00 15.11 H new ATOM 0 H3 MET A 1 24.853 20.366 -55.368 1.00 15.11 H new ATOM 0 HA MET A 1 27.049 18.676 -54.642 1.00 1.10 H new ATOM 0 HB2 MET A 1 28.150 20.329 -53.167 1.00 33.35 H new ATOM 0 HB3 MET A 1 28.321 20.757 -54.858 1.00 33.35 H new ATOM 0 HG2 MET A 1 26.469 22.401 -54.626 1.00 12.33 H new ATOM 0 HG3 MET A 1 26.306 21.975 -52.934 1.00 12.33 H new ATOM 0 HE1 MET A 1 27.928 25.586 -52.893 1.00 55.34 H new ATOM 0 HE2 MET A 1 26.783 24.953 -54.101 1.00 55.34 H new ATOM 0 HE3 MET A 1 26.543 24.595 -52.374 1.00 55.34 H new ATOM 20 N GLY A 2 26.132 18.900 -52.119 1.00 43.03 N ATOM 21 CA GLY A 2 25.302 18.618 -50.950 1.00 55.44 C ATOM 22 C GLY A 2 24.420 17.381 -51.124 1.00 14.44 C ATOM 23 O GLY A 2 23.346 17.281 -50.528 1.00 72.03 O ATOM 0 H GLY A 2 27.124 18.699 -51.997 1.00 43.03 H new ATOM 0 HA2 GLY A 2 25.945 18.479 -50.081 1.00 55.44 H new ATOM 0 HA3 GLY A 2 24.670 19.482 -50.744 1.00 55.44 H new ATOM 27 N HIS A 3 24.886 16.425 -51.927 1.00 41.31 N ATOM 28 CA HIS A 3 24.120 15.204 -52.212 1.00 44.31 C ATOM 29 C HIS A 3 24.367 14.115 -51.144 1.00 3.44 C ATOM 30 O HIS A 3 23.969 12.962 -51.316 1.00 60.22 O ATOM 31 CB HIS A 3 24.483 14.684 -53.613 1.00 22.41 C ATOM 32 CG HIS A 3 23.626 13.547 -54.083 1.00 0.02 C ATOM 33 ND1 HIS A 3 24.115 12.282 -54.308 1.00 2.25 N ATOM 34 CD2 HIS A 3 22.305 13.493 -54.374 1.00 54.51 C ATOM 35 CE1 HIS A 3 23.139 11.499 -54.712 1.00 31.50 C ATOM 36 NE2 HIS A 3 22.029 12.205 -54.759 1.00 40.41 N ATOM 0 H HIS A 3 25.792 16.469 -52.394 1.00 41.31 H new ATOM 0 HA HIS A 3 23.058 15.449 -52.182 1.00 44.31 H new ATOM 0 HB2 HIS A 3 24.403 15.505 -54.326 1.00 22.41 H new ATOM 0 HB3 HIS A 3 25.525 14.364 -53.612 1.00 22.41 H new ATOM 0 HD2 HIS A 3 21.601 14.310 -54.314 1.00 54.51 H new ATOM 0 HE1 HIS A 3 23.232 10.453 -54.963 1.00 31.50 H new ATOM 0 HE2 HIS A 3 21.113 11.852 -55.036 1.00 40.41 H new ATOM 45 N HIS A 4 25.010 14.499 -50.038 1.00 72.32 N ATOM 46 CA HIS A 4 25.268 13.581 -48.914 1.00 43.22 C ATOM 47 C HIS A 4 24.016 12.773 -48.527 1.00 23.32 C ATOM 48 O HIS A 4 22.901 13.300 -48.510 1.00 14.44 O ATOM 49 CB HIS A 4 25.758 14.369 -47.690 1.00 24.54 C ATOM 50 CG HIS A 4 24.781 15.405 -47.212 1.00 12.02 C ATOM 51 ND1 HIS A 4 23.787 15.140 -46.291 1.00 11.41 N ATOM 52 CD2 HIS A 4 24.636 16.710 -47.547 1.00 42.00 C ATOM 53 CE1 HIS A 4 23.078 16.232 -46.087 1.00 31.42 C ATOM 54 NE2 HIS A 4 23.570 17.197 -46.834 1.00 63.24 N ATOM 0 H HIS A 4 25.365 15.444 -49.892 1.00 72.32 H new ATOM 0 HA HIS A 4 26.036 12.880 -49.242 1.00 43.22 H new ATOM 0 HB2 HIS A 4 25.962 13.672 -46.877 1.00 24.54 H new ATOM 0 HB3 HIS A 4 26.701 14.857 -47.936 1.00 24.54 H new ATOM 0 HD2 HIS A 4 25.246 17.264 -48.245 1.00 42.00 H new ATOM 0 HE1 HIS A 4 22.234 16.320 -45.419 1.00 31.42 H new ATOM 0 HE2 HIS A 4 23.216 18.153 -46.876 1.00 63.24 H new ATOM 63 N HIS A 5 24.208 11.496 -48.208 1.00 73.30 N ATOM 64 CA HIS A 5 23.096 10.623 -47.820 1.00 21.12 C ATOM 65 C HIS A 5 23.549 9.538 -46.827 1.00 24.42 C ATOM 66 O HIS A 5 24.118 8.516 -47.214 1.00 22.11 O ATOM 67 CB HIS A 5 22.441 9.997 -49.068 1.00 41.43 C ATOM 68 CG HIS A 5 23.394 9.265 -49.963 1.00 3.50 C ATOM 69 ND1 HIS A 5 23.527 7.892 -49.960 1.00 10.23 N ATOM 70 CD2 HIS A 5 24.253 9.718 -50.905 1.00 72.21 C ATOM 71 CE1 HIS A 5 24.422 7.537 -50.856 1.00 2.55 C ATOM 72 NE2 HIS A 5 24.876 8.622 -51.443 1.00 42.34 N ATOM 0 H HIS A 5 25.120 11.040 -48.209 1.00 73.30 H new ATOM 0 HA HIS A 5 22.351 11.235 -47.311 1.00 21.12 H new ATOM 0 HB2 HIS A 5 21.660 9.308 -48.747 1.00 41.43 H new ATOM 0 HB3 HIS A 5 21.954 10.785 -49.642 1.00 41.43 H new ATOM 0 HD2 HIS A 5 24.417 10.749 -51.181 1.00 72.21 H new ATOM 0 HE1 HIS A 5 24.732 6.525 -51.073 1.00 2.55 H new ATOM 0 HE2 HIS A 5 25.580 8.645 -52.181 1.00 42.34 H new ATOM 81 N HIS A 6 23.314 9.784 -45.539 1.00 54.44 N ATOM 82 CA HIS A 6 23.649 8.821 -44.482 1.00 21.34 C ATOM 83 C HIS A 6 22.863 9.120 -43.199 1.00 34.14 C ATOM 84 O HIS A 6 22.850 10.255 -42.721 1.00 1.21 O ATOM 85 CB HIS A 6 25.165 8.816 -44.200 1.00 51.12 C ATOM 86 CG HIS A 6 25.747 10.160 -43.859 1.00 40.32 C ATOM 87 ND1 HIS A 6 26.504 10.894 -44.747 1.00 42.31 N ATOM 88 CD2 HIS A 6 25.704 10.894 -42.718 1.00 60.25 C ATOM 89 CE1 HIS A 6 26.898 12.012 -44.173 1.00 74.22 C ATOM 90 NE2 HIS A 6 26.427 12.035 -42.947 1.00 30.01 N ATOM 0 H HIS A 6 22.890 10.647 -45.197 1.00 54.44 H new ATOM 0 HA HIS A 6 23.365 7.829 -44.833 1.00 21.34 H new ATOM 0 HB2 HIS A 6 25.365 8.130 -43.377 1.00 51.12 H new ATOM 0 HB3 HIS A 6 25.682 8.423 -45.076 1.00 51.12 H new ATOM 0 HD2 HIS A 6 25.196 10.629 -41.803 1.00 60.25 H new ATOM 0 HE1 HIS A 6 27.505 12.779 -44.632 1.00 74.22 H new ATOM 0 HE2 HIS A 6 26.576 12.785 -42.272 1.00 30.01 H new ATOM 99 N HIS A 7 22.204 8.099 -42.653 1.00 61.34 N ATOM 100 CA HIS A 7 21.408 8.255 -41.429 1.00 23.24 C ATOM 101 C HIS A 7 20.890 6.899 -40.926 1.00 2.31 C ATOM 102 O HIS A 7 20.463 6.056 -41.719 1.00 53.14 O ATOM 103 CB HIS A 7 20.224 9.203 -41.672 1.00 14.55 C ATOM 104 CG HIS A 7 19.221 8.681 -42.656 1.00 4.41 C ATOM 105 ND1 HIS A 7 17.949 8.289 -42.299 1.00 0.02 N ATOM 106 CD2 HIS A 7 19.305 8.492 -43.994 1.00 20.33 C ATOM 107 CE1 HIS A 7 17.298 7.883 -43.368 1.00 23.24 C ATOM 108 NE2 HIS A 7 18.095 7.996 -44.405 1.00 33.35 N ATOM 0 H HIS A 7 22.203 7.154 -43.036 1.00 61.34 H new ATOM 0 HA HIS A 7 22.058 8.682 -40.666 1.00 23.24 H new ATOM 0 HB2 HIS A 7 19.723 9.393 -40.723 1.00 14.55 H new ATOM 0 HB3 HIS A 7 20.605 10.160 -42.029 1.00 14.55 H new ATOM 0 HD2 HIS A 7 20.162 8.694 -44.619 1.00 20.33 H new ATOM 0 HE1 HIS A 7 16.281 7.519 -43.389 1.00 23.24 H new ATOM 0 HE2 HIS A 7 17.852 7.753 -45.365 1.00 33.35 H new ATOM 117 N HIS A 8 20.922 6.699 -39.611 1.00 75.23 N ATOM 118 CA HIS A 8 20.435 5.455 -39.005 1.00 24.33 C ATOM 119 C HIS A 8 20.217 5.614 -37.491 1.00 22.30 C ATOM 120 O HIS A 8 21.173 5.780 -36.729 1.00 65.35 O ATOM 121 CB HIS A 8 21.422 4.306 -39.275 1.00 43.14 C ATOM 122 CG HIS A 8 21.019 3.007 -38.646 1.00 51.32 C ATOM 123 ND1 HIS A 8 21.771 2.375 -37.681 1.00 75.33 N ATOM 124 CD2 HIS A 8 19.936 2.219 -38.848 1.00 50.41 C ATOM 125 CE1 HIS A 8 21.171 1.261 -37.316 1.00 4.42 C ATOM 126 NE2 HIS A 8 20.057 1.142 -38.006 1.00 71.11 N ATOM 0 H HIS A 8 21.279 7.380 -38.941 1.00 75.23 H new ATOM 0 HA HIS A 8 19.474 5.219 -39.462 1.00 24.33 H new ATOM 0 HB2 HIS A 8 21.516 4.165 -40.352 1.00 43.14 H new ATOM 0 HB3 HIS A 8 22.407 4.590 -38.904 1.00 43.14 H new ATOM 0 HD2 HIS A 8 19.129 2.404 -39.541 1.00 50.41 H new ATOM 0 HE1 HIS A 8 21.532 0.563 -36.575 1.00 4.42 H new ATOM 0 HE2 HIS A 8 19.391 0.373 -37.928 1.00 71.11 H new ATOM 135 N SER A 9 18.959 5.549 -37.065 1.00 2.04 N ATOM 136 CA SER A 9 18.611 5.636 -35.638 1.00 13.21 C ATOM 137 C SER A 9 18.480 4.242 -35.013 1.00 11.53 C ATOM 138 O SER A 9 18.068 3.289 -35.675 1.00 32.21 O ATOM 139 CB SER A 9 17.293 6.405 -35.446 1.00 45.23 C ATOM 140 OG SER A 9 17.391 7.742 -35.917 1.00 53.24 O ATOM 0 H SER A 9 18.157 5.436 -37.685 1.00 2.04 H new ATOM 0 HA SER A 9 19.418 6.171 -35.138 1.00 13.21 H new ATOM 0 HB2 SER A 9 16.491 5.891 -35.976 1.00 45.23 H new ATOM 0 HB3 SER A 9 17.025 6.410 -34.389 1.00 45.23 H new ATOM 0 HG SER A 9 16.536 8.200 -35.781 1.00 53.24 H new ATOM 146 N HIS A 10 18.837 4.125 -33.734 1.00 44.31 N ATOM 147 CA HIS A 10 18.733 2.846 -33.014 1.00 12.33 C ATOM 148 C HIS A 10 17.473 2.791 -32.133 1.00 0.32 C ATOM 149 O HIS A 10 16.928 3.824 -31.736 1.00 14.43 O ATOM 150 CB HIS A 10 19.982 2.616 -32.153 1.00 32.13 C ATOM 151 CG HIS A 10 21.236 2.434 -32.951 1.00 20.53 C ATOM 152 ND1 HIS A 10 21.710 1.200 -33.337 1.00 2.02 N ATOM 153 CD2 HIS A 10 22.118 3.338 -33.439 1.00 53.42 C ATOM 154 CE1 HIS A 10 22.825 1.349 -34.021 1.00 64.54 C ATOM 155 NE2 HIS A 10 23.093 2.632 -34.097 1.00 31.20 N ATOM 0 H HIS A 10 19.200 4.895 -33.172 1.00 44.31 H new ATOM 0 HA HIS A 10 18.657 2.055 -33.760 1.00 12.33 H new ATOM 0 HB2 HIS A 10 20.110 3.464 -31.480 1.00 32.13 H new ATOM 0 HB3 HIS A 10 19.827 1.735 -31.530 1.00 32.13 H new ATOM 0 HD2 HIS A 10 22.064 4.411 -33.331 1.00 53.42 H new ATOM 0 HE1 HIS A 10 23.417 0.553 -34.447 1.00 64.54 H new ATOM 0 HE2 HIS A 10 23.899 3.040 -34.571 1.00 31.20 H new ATOM 164 N MET A 11 17.011 1.577 -31.842 1.00 21.02 N ATOM 165 CA MET A 11 15.857 1.371 -30.958 1.00 11.13 C ATOM 166 C MET A 11 16.298 0.753 -29.623 1.00 54.43 C ATOM 167 O MET A 11 17.066 -0.213 -29.595 1.00 52.01 O ATOM 168 CB MET A 11 14.817 0.465 -31.636 1.00 12.25 C ATOM 169 CG MET A 11 14.249 1.038 -32.928 1.00 4.44 C ATOM 170 SD MET A 11 13.002 -0.038 -33.667 1.00 54.21 S ATOM 171 CE MET A 11 12.551 0.897 -35.130 1.00 21.43 C ATOM 0 H MET A 11 17.418 0.715 -32.205 1.00 21.02 H new ATOM 0 HA MET A 11 15.405 2.343 -30.759 1.00 11.13 H new ATOM 0 HB2 MET A 11 15.275 -0.501 -31.849 1.00 12.25 H new ATOM 0 HB3 MET A 11 13.998 0.284 -30.940 1.00 12.25 H new ATOM 0 HG2 MET A 11 13.809 2.015 -32.727 1.00 4.44 H new ATOM 0 HG3 MET A 11 15.059 1.194 -33.640 1.00 4.44 H new ATOM 0 HE1 MET A 11 11.787 0.354 -35.687 1.00 21.43 H new ATOM 0 HE2 MET A 11 12.161 1.871 -34.834 1.00 21.43 H new ATOM 0 HE3 MET A 11 13.430 1.035 -35.759 1.00 21.43 H new ATOM 181 N SER A 12 15.812 1.310 -28.519 1.00 64.01 N ATOM 182 CA SER A 12 16.188 0.833 -27.179 1.00 74.42 C ATOM 183 C SER A 12 14.946 0.524 -26.332 1.00 11.53 C ATOM 184 O SER A 12 14.012 1.324 -26.262 1.00 65.34 O ATOM 185 CB SER A 12 17.064 1.876 -26.466 1.00 2.32 C ATOM 186 OG SER A 12 18.243 2.160 -27.212 1.00 2.44 O ATOM 0 H SER A 12 15.157 2.092 -28.518 1.00 64.01 H new ATOM 0 HA SER A 12 16.757 -0.089 -27.300 1.00 74.42 H new ATOM 0 HB2 SER A 12 16.494 2.794 -26.320 1.00 2.32 H new ATOM 0 HB3 SER A 12 17.337 1.509 -25.477 1.00 2.32 H new ATOM 0 HG SER A 12 18.779 2.827 -26.735 1.00 2.44 H new ATOM 192 N THR A 13 14.938 -0.640 -25.686 1.00 31.44 N ATOM 193 CA THR A 13 13.801 -1.058 -24.854 1.00 15.24 C ATOM 194 C THR A 13 13.972 -0.599 -23.396 1.00 61.14 C ATOM 195 O THR A 13 15.097 -0.433 -22.916 1.00 62.03 O ATOM 196 CB THR A 13 13.611 -2.597 -24.882 1.00 25.44 C ATOM 197 OG1 THR A 13 14.791 -3.259 -24.396 1.00 2.55 O ATOM 198 CG2 THR A 13 13.299 -3.082 -26.294 1.00 54.23 C ATOM 0 H THR A 13 15.703 -1.313 -25.720 1.00 31.44 H new ATOM 0 HA THR A 13 12.916 -0.583 -25.276 1.00 15.24 H new ATOM 0 HB THR A 13 12.770 -2.841 -24.233 1.00 25.44 H new ATOM 0 HG1 THR A 13 14.654 -4.229 -24.418 1.00 2.55 H new ATOM 0 HG21 THR A 13 13.170 -4.164 -26.287 1.00 54.23 H new ATOM 0 HG22 THR A 13 12.382 -2.610 -26.647 1.00 54.23 H new ATOM 0 HG23 THR A 13 14.121 -2.819 -26.959 1.00 54.23 H new ATOM 206 N PRO A 14 12.855 -0.381 -22.670 1.00 61.41 N ATOM 207 CA PRO A 14 12.893 0.083 -21.268 1.00 54.40 C ATOM 208 C PRO A 14 13.323 -1.007 -20.266 1.00 75.33 C ATOM 209 O PRO A 14 13.833 -2.061 -20.650 1.00 12.45 O ATOM 210 CB PRO A 14 11.442 0.509 -21.011 1.00 55.43 C ATOM 211 CG PRO A 14 10.634 -0.363 -21.912 1.00 61.42 C ATOM 212 CD PRO A 14 11.467 -0.556 -23.152 1.00 21.11 C ATOM 0 HA PRO A 14 13.630 0.874 -21.128 1.00 54.40 H new ATOM 0 HB2 PRO A 14 11.165 0.366 -19.967 1.00 55.43 H new ATOM 0 HB3 PRO A 14 11.291 1.564 -21.239 1.00 55.43 H new ATOM 0 HG2 PRO A 14 10.413 -1.319 -21.437 1.00 61.42 H new ATOM 0 HG3 PRO A 14 9.678 0.102 -22.152 1.00 61.42 H new ATOM 0 HD2 PRO A 14 11.315 -1.544 -23.587 1.00 21.11 H new ATOM 0 HD3 PRO A 14 11.215 0.173 -23.922 1.00 21.11 H new ATOM 220 N LEU A 15 13.107 -0.738 -18.976 1.00 53.02 N ATOM 221 CA LEU A 15 13.485 -1.670 -17.904 1.00 54.32 C ATOM 222 C LEU A 15 12.445 -1.654 -16.769 1.00 4.23 C ATOM 223 O LEU A 15 11.398 -1.017 -16.889 1.00 73.23 O ATOM 224 CB LEU A 15 14.884 -1.328 -17.346 1.00 73.41 C ATOM 225 CG LEU A 15 15.023 0.034 -16.622 1.00 43.41 C ATOM 226 CD1 LEU A 15 16.348 0.107 -15.864 1.00 32.12 C ATOM 227 CD2 LEU A 15 14.913 1.205 -17.603 1.00 33.31 C ATOM 0 H LEU A 15 12.670 0.122 -18.645 1.00 53.02 H new ATOM 0 HA LEU A 15 13.516 -2.672 -18.331 1.00 54.32 H new ATOM 0 HB2 LEU A 15 15.177 -2.115 -16.651 1.00 73.41 H new ATOM 0 HB3 LEU A 15 15.596 -1.350 -18.171 1.00 73.41 H new ATOM 0 HG LEU A 15 14.202 0.112 -15.910 1.00 43.41 H new ATOM 0 HD11 LEU A 15 16.427 1.071 -15.362 1.00 32.12 H new ATOM 0 HD12 LEU A 15 16.388 -0.692 -15.124 1.00 32.12 H new ATOM 0 HD13 LEU A 15 17.175 -0.006 -16.565 1.00 32.12 H new ATOM 0 HD21 LEU A 15 15.015 2.145 -17.061 1.00 33.31 H new ATOM 0 HD22 LEU A 15 15.703 1.129 -18.350 1.00 33.31 H new ATOM 0 HD23 LEU A 15 13.942 1.175 -18.098 1.00 33.31 H new ATOM 239 N THR A 16 12.729 -2.358 -15.672 1.00 41.14 N ATOM 240 CA THR A 16 11.807 -2.399 -14.523 1.00 15.41 C ATOM 241 C THR A 16 11.840 -1.089 -13.722 1.00 34.11 C ATOM 242 O THR A 16 10.811 -0.427 -13.542 1.00 23.03 O ATOM 243 CB THR A 16 12.135 -3.572 -13.563 1.00 52.22 C ATOM 244 OG1 THR A 16 13.457 -3.414 -13.017 1.00 4.54 O ATOM 245 CG2 THR A 16 12.036 -4.917 -14.278 1.00 34.23 C ATOM 0 H THR A 16 13.581 -2.905 -15.550 1.00 41.14 H new ATOM 0 HA THR A 16 10.811 -2.543 -14.942 1.00 15.41 H new ATOM 0 HB THR A 16 11.403 -3.555 -12.756 1.00 52.22 H new ATOM 0 HG1 THR A 16 13.652 -4.159 -12.411 1.00 4.54 H new ATOM 0 HG21 THR A 16 12.272 -5.719 -13.579 1.00 34.23 H new ATOM 0 HG22 THR A 16 11.024 -5.053 -14.659 1.00 34.23 H new ATOM 0 HG23 THR A 16 12.742 -4.941 -15.108 1.00 34.23 H new ATOM 253 N GLY A 17 13.027 -0.729 -13.235 1.00 52.35 N ATOM 254 CA GLY A 17 13.177 0.461 -12.403 1.00 44.21 C ATOM 255 C GLY A 17 12.516 0.302 -11.038 1.00 23.23 C ATOM 256 O GLY A 17 12.190 1.286 -10.374 1.00 24.00 O ATOM 0 H GLY A 17 13.893 -1.242 -13.402 1.00 52.35 H new ATOM 0 HA2 GLY A 17 14.237 0.675 -12.268 1.00 44.21 H new ATOM 0 HA3 GLY A 17 12.742 1.318 -12.917 1.00 44.21 H new ATOM 260 N LYS A 18 12.321 -0.947 -10.615 1.00 43.32 N ATOM 261 CA LYS A 18 11.610 -1.253 -9.369 1.00 65.34 C ATOM 262 C LYS A 18 12.205 -2.482 -8.654 1.00 71.04 C ATOM 263 O LYS A 18 12.748 -3.385 -9.296 1.00 32.13 O ATOM 264 CB LYS A 18 10.124 -1.514 -9.663 1.00 0.34 C ATOM 265 CG LYS A 18 9.322 -0.270 -10.031 1.00 41.52 C ATOM 266 CD LYS A 18 7.878 -0.602 -10.419 1.00 21.33 C ATOM 267 CE LYS A 18 7.162 -1.454 -9.367 1.00 31.42 C ATOM 268 NZ LYS A 18 7.479 -2.908 -9.500 1.00 61.25 N ATOM 0 H LYS A 18 12.648 -1.771 -11.120 1.00 43.32 H new ATOM 0 HA LYS A 18 11.719 -0.390 -8.713 1.00 65.34 H new ATOM 0 HB2 LYS A 18 10.049 -2.233 -10.479 1.00 0.34 H new ATOM 0 HB3 LYS A 18 9.670 -1.977 -8.787 1.00 0.34 H new ATOM 0 HG2 LYS A 18 9.319 0.420 -9.188 1.00 41.52 H new ATOM 0 HG3 LYS A 18 9.810 0.242 -10.860 1.00 41.52 H new ATOM 0 HD2 LYS A 18 7.324 0.325 -10.567 1.00 21.33 H new ATOM 0 HD3 LYS A 18 7.875 -1.131 -11.372 1.00 21.33 H new ATOM 0 HE2 LYS A 18 7.446 -1.112 -8.372 1.00 31.42 H new ATOM 0 HE3 LYS A 18 6.085 -1.310 -9.458 1.00 31.42 H new ATOM 0 HZ1 LYS A 18 6.595 -3.455 -9.522 1.00 61.25 H new ATOM 0 HZ2 LYS A 18 8.008 -3.069 -10.381 1.00 61.25 H new ATOM 0 HZ3 LYS A 18 8.055 -3.213 -8.690 1.00 61.25 H new ATOM 282 N PRO A 19 12.118 -2.521 -7.307 1.00 42.42 N ATOM 283 CA PRO A 19 12.528 -3.692 -6.508 1.00 44.53 C ATOM 284 C PRO A 19 11.552 -4.874 -6.653 1.00 30.03 C ATOM 285 O PRO A 19 10.407 -4.698 -7.072 1.00 61.31 O ATOM 286 CB PRO A 19 12.523 -3.166 -5.055 1.00 4.21 C ATOM 287 CG PRO A 19 12.370 -1.682 -5.162 1.00 62.42 C ATOM 288 CD PRO A 19 11.635 -1.431 -6.448 1.00 31.34 C ATOM 0 HA PRO A 19 13.495 -4.079 -6.830 1.00 44.53 H new ATOM 0 HB2 PRO A 19 11.705 -3.604 -4.483 1.00 4.21 H new ATOM 0 HB3 PRO A 19 13.448 -3.428 -4.541 1.00 4.21 H new ATOM 0 HG2 PRO A 19 11.815 -1.285 -4.312 1.00 62.42 H new ATOM 0 HG3 PRO A 19 13.342 -1.189 -5.166 1.00 62.42 H new ATOM 0 HD2 PRO A 19 10.554 -1.470 -6.312 1.00 31.34 H new ATOM 0 HD3 PRO A 19 11.869 -0.451 -6.865 1.00 31.34 H new ATOM 296 N GLY A 20 12.009 -6.075 -6.303 1.00 44.32 N ATOM 297 CA GLY A 20 11.148 -7.253 -6.368 1.00 41.13 C ATOM 298 C GLY A 20 9.886 -7.125 -5.514 1.00 23.22 C ATOM 299 O GLY A 20 8.780 -7.417 -5.975 1.00 53.20 O ATOM 0 H GLY A 20 12.958 -6.257 -5.976 1.00 44.32 H new ATOM 0 HA2 GLY A 20 10.861 -7.428 -7.405 1.00 41.13 H new ATOM 0 HA3 GLY A 20 11.713 -8.126 -6.042 1.00 41.13 H new ATOM 303 N ALA A 21 10.054 -6.679 -4.273 1.00 60.02 N ATOM 304 CA ALA A 21 8.930 -6.483 -3.350 1.00 72.25 C ATOM 305 C ALA A 21 8.326 -5.071 -3.479 1.00 21.41 C ATOM 306 O ALA A 21 8.565 -4.364 -4.463 1.00 63.11 O ATOM 307 CB ALA A 21 9.398 -6.734 -1.920 1.00 41.24 C ATOM 0 H ALA A 21 10.964 -6.443 -3.877 1.00 60.02 H new ATOM 0 HA ALA A 21 8.146 -7.195 -3.609 1.00 72.25 H new ATOM 0 HB1 ALA A 21 8.564 -6.589 -1.233 1.00 41.24 H new ATOM 0 HB2 ALA A 21 9.767 -7.756 -1.832 1.00 41.24 H new ATOM 0 HB3 ALA A 21 10.198 -6.037 -1.671 1.00 41.24 H new ATOM 313 N LEU A 22 7.525 -4.675 -2.491 1.00 20.14 N ATOM 314 CA LEU A 22 6.927 -3.337 -2.466 1.00 34.12 C ATOM 315 C LEU A 22 8.010 -2.251 -2.306 1.00 71.12 C ATOM 316 O LEU A 22 8.827 -2.310 -1.384 1.00 33.21 O ATOM 317 CB LEU A 22 5.895 -3.238 -1.332 1.00 74.30 C ATOM 318 CG LEU A 22 4.720 -4.230 -1.431 1.00 22.51 C ATOM 319 CD1 LEU A 22 3.770 -4.064 -0.249 1.00 44.14 C ATOM 320 CD2 LEU A 22 3.977 -4.058 -2.756 1.00 43.30 C ATOM 0 H LEU A 22 7.274 -5.261 -1.695 1.00 20.14 H new ATOM 0 HA LEU A 22 6.421 -3.171 -3.417 1.00 34.12 H new ATOM 0 HB2 LEU A 22 6.405 -3.397 -0.382 1.00 74.30 H new ATOM 0 HB3 LEU A 22 5.494 -2.224 -1.313 1.00 74.30 H new ATOM 0 HG LEU A 22 5.125 -5.242 -1.399 1.00 22.51 H new ATOM 0 HD11 LEU A 22 2.948 -4.774 -0.340 1.00 44.14 H new ATOM 0 HD12 LEU A 22 4.309 -4.250 0.680 1.00 44.14 H new ATOM 0 HD13 LEU A 22 3.373 -3.049 -0.241 1.00 44.14 H new ATOM 0 HD21 LEU A 22 3.151 -4.768 -2.805 1.00 43.30 H new ATOM 0 HD22 LEU A 22 3.587 -3.043 -2.825 1.00 43.30 H new ATOM 0 HD23 LEU A 22 4.662 -4.241 -3.584 1.00 43.30 H new ATOM 332 N PRO A 23 8.019 -1.241 -3.205 1.00 24.15 N ATOM 333 CA PRO A 23 9.069 -0.202 -3.238 1.00 54.22 C ATOM 334 C PRO A 23 9.131 0.664 -1.967 1.00 2.24 C ATOM 335 O PRO A 23 8.190 0.709 -1.176 1.00 1.21 O ATOM 336 CB PRO A 23 8.686 0.666 -4.455 1.00 54.34 C ATOM 337 CG PRO A 23 7.722 -0.157 -5.246 1.00 34.22 C ATOM 338 CD PRO A 23 7.005 -1.027 -4.252 1.00 35.31 C ATOM 0 HA PRO A 23 10.058 -0.656 -3.302 1.00 54.22 H new ATOM 0 HB2 PRO A 23 8.233 1.606 -4.139 1.00 54.34 H new ATOM 0 HB3 PRO A 23 9.565 0.919 -5.048 1.00 54.34 H new ATOM 0 HG2 PRO A 23 7.020 0.477 -5.787 1.00 34.22 H new ATOM 0 HG3 PRO A 23 8.243 -0.761 -5.989 1.00 34.22 H new ATOM 0 HD2 PRO A 23 6.114 -0.538 -3.857 1.00 35.31 H new ATOM 0 HD3 PRO A 23 6.681 -1.967 -4.698 1.00 35.31 H new ATOM 346 N ALA A 24 10.249 1.366 -1.787 1.00 3.31 N ATOM 347 CA ALA A 24 10.413 2.296 -0.660 1.00 22.44 C ATOM 348 C ALA A 24 9.875 3.694 -1.007 1.00 21.55 C ATOM 349 O ALA A 24 10.135 4.672 -0.304 1.00 22.53 O ATOM 350 CB ALA A 24 11.884 2.378 -0.263 1.00 20.21 C ATOM 0 H ALA A 24 11.058 1.311 -2.406 1.00 3.31 H new ATOM 0 HA ALA A 24 9.835 1.916 0.182 1.00 22.44 H new ATOM 0 HB1 ALA A 24 11.997 3.069 0.572 1.00 20.21 H new ATOM 0 HB2 ALA A 24 12.237 1.390 0.033 1.00 20.21 H new ATOM 0 HB3 ALA A 24 12.470 2.734 -1.110 1.00 20.21 H new ATOM 356 N ASN A 25 9.112 3.772 -2.094 1.00 32.41 N ATOM 357 CA ASN A 25 8.565 5.040 -2.586 1.00 25.14 C ATOM 358 C ASN A 25 7.070 5.179 -2.261 1.00 25.10 C ATOM 359 O ASN A 25 6.422 6.113 -2.727 1.00 43.14 O ATOM 360 CB ASN A 25 8.765 5.131 -4.102 1.00 24.42 C ATOM 361 CG ASN A 25 10.213 4.947 -4.506 1.00 74.44 C ATOM 362 OD1 ASN A 25 10.673 3.830 -4.711 1.00 24.45 O ATOM 363 ND2 ASN A 25 10.940 6.035 -4.631 1.00 71.22 N ATOM 0 H ASN A 25 8.854 2.963 -2.659 1.00 32.41 H new ATOM 0 HA ASN A 25 9.096 5.849 -2.085 1.00 25.14 H new ATOM 0 HB2 ASN A 25 8.155 4.372 -4.592 1.00 24.42 H new ATOM 0 HB3 ASN A 25 8.413 6.100 -4.455 1.00 24.42 H new ATOM 0 HD21 ASN A 25 11.920 5.965 -4.907 1.00 71.22 H new ATOM 0 HD22 ASN A 25 10.525 6.949 -4.452 1.00 71.22 H new ATOM 370 N LEU A 26 6.535 4.269 -1.443 1.00 53.02 N ATOM 371 CA LEU A 26 5.090 4.233 -1.148 1.00 24.22 C ATOM 372 C LEU A 26 4.587 5.574 -0.582 1.00 22.24 C ATOM 373 O LEU A 26 3.411 5.924 -0.723 1.00 41.14 O ATOM 374 CB LEU A 26 4.778 3.096 -0.165 1.00 0.31 C ATOM 375 CG LEU A 26 5.273 1.702 -0.593 1.00 53.53 C ATOM 376 CD1 LEU A 26 4.897 0.647 0.445 1.00 25.41 C ATOM 377 CD2 LEU A 26 4.727 1.324 -1.970 1.00 43.35 C ATOM 0 H LEU A 26 7.076 3.545 -0.970 1.00 53.02 H new ATOM 0 HA LEU A 26 4.567 4.053 -2.087 1.00 24.22 H new ATOM 0 HB2 LEU A 26 5.221 3.340 0.800 1.00 0.31 H new ATOM 0 HB3 LEU A 26 3.699 3.051 -0.018 1.00 0.31 H new ATOM 0 HG LEU A 26 6.360 1.741 -0.660 1.00 53.53 H new ATOM 0 HD11 LEU A 26 5.258 -0.329 0.119 1.00 25.41 H new ATOM 0 HD12 LEU A 26 5.351 0.901 1.403 1.00 25.41 H new ATOM 0 HD13 LEU A 26 3.813 0.615 0.555 1.00 25.41 H new ATOM 0 HD21 LEU A 26 5.092 0.335 -2.247 1.00 43.35 H new ATOM 0 HD22 LEU A 26 3.638 1.313 -1.939 1.00 43.35 H new ATOM 0 HD23 LEU A 26 5.061 2.054 -2.707 1.00 43.35 H new ATOM 389 N ASP A 27 5.488 6.311 0.065 1.00 35.00 N ATOM 390 CA ASP A 27 5.190 7.655 0.561 1.00 11.13 C ATOM 391 C ASP A 27 4.831 8.609 -0.597 1.00 44.22 C ATOM 392 O ASP A 27 3.776 9.252 -0.586 1.00 24.51 O ATOM 393 CB ASP A 27 6.392 8.200 1.341 1.00 51.31 C ATOM 394 CG ASP A 27 6.798 7.287 2.486 1.00 60.53 C ATOM 395 OD1 ASP A 27 7.486 6.276 2.233 1.00 34.13 O ATOM 396 OD2 ASP A 27 6.441 7.577 3.646 1.00 0.24 O ATOM 0 H ASP A 27 6.439 5.997 0.260 1.00 35.00 H new ATOM 0 HA ASP A 27 4.328 7.592 1.224 1.00 11.13 H new ATOM 0 HB2 ASP A 27 7.236 8.326 0.663 1.00 51.31 H new ATOM 0 HB3 ASP A 27 6.150 9.187 1.735 1.00 51.31 H new ATOM 401 N ASP A 28 5.712 8.677 -1.600 1.00 15.11 N ATOM 402 CA ASP A 28 5.497 9.535 -2.775 1.00 65.05 C ATOM 403 C ASP A 28 4.418 8.962 -3.707 1.00 21.15 C ATOM 404 O ASP A 28 3.689 9.712 -4.358 1.00 15.32 O ATOM 405 CB ASP A 28 6.809 9.712 -3.548 1.00 4.43 C ATOM 406 CG ASP A 28 7.862 10.441 -2.737 1.00 23.30 C ATOM 407 OD1 ASP A 28 7.889 11.689 -2.771 1.00 42.24 O ATOM 408 OD2 ASP A 28 8.674 9.772 -2.065 1.00 24.42 O ATOM 0 H ASP A 28 6.584 8.148 -1.624 1.00 15.11 H new ATOM 0 HA ASP A 28 5.151 10.504 -2.416 1.00 65.05 H new ATOM 0 HB2 ASP A 28 7.191 8.734 -3.839 1.00 4.43 H new ATOM 0 HB3 ASP A 28 6.615 10.265 -4.467 1.00 4.43 H new ATOM 413 N MET A 29 4.325 7.631 -3.769 1.00 61.11 N ATOM 414 CA MET A 29 3.314 6.962 -4.596 1.00 13.23 C ATOM 415 C MET A 29 1.903 7.419 -4.202 1.00 1.35 C ATOM 416 O MET A 29 1.494 7.293 -3.048 1.00 34.22 O ATOM 417 CB MET A 29 3.439 5.437 -4.488 1.00 33.03 C ATOM 418 CG MET A 29 4.702 4.884 -5.135 1.00 2.10 C ATOM 419 SD MET A 29 4.846 3.093 -4.980 1.00 52.32 S ATOM 420 CE MET A 29 3.350 2.547 -5.807 1.00 15.11 C ATOM 0 H MET A 29 4.936 6.995 -3.257 1.00 61.11 H new ATOM 0 HA MET A 29 3.488 7.243 -5.635 1.00 13.23 H new ATOM 0 HB2 MET A 29 3.425 5.153 -3.436 1.00 33.03 H new ATOM 0 HB3 MET A 29 2.569 4.975 -4.955 1.00 33.03 H new ATOM 0 HG2 MET A 29 4.711 5.154 -6.191 1.00 2.10 H new ATOM 0 HG3 MET A 29 5.573 5.354 -4.679 1.00 2.10 H new ATOM 0 HE1 MET A 29 3.446 1.495 -6.075 1.00 15.11 H new ATOM 0 HE2 MET A 29 2.498 2.675 -5.140 1.00 15.11 H new ATOM 0 HE3 MET A 29 3.197 3.139 -6.709 1.00 15.11 H new ATOM 430 N LYS A 30 1.177 7.944 -5.180 1.00 75.03 N ATOM 431 CA LYS A 30 -0.108 8.610 -4.948 1.00 4.51 C ATOM 432 C LYS A 30 -1.229 7.635 -4.538 1.00 50.14 C ATOM 433 O LYS A 30 -1.091 6.418 -4.663 1.00 42.31 O ATOM 434 CB LYS A 30 -0.484 9.390 -6.211 1.00 55.24 C ATOM 435 CG LYS A 30 0.539 10.466 -6.570 1.00 21.35 C ATOM 436 CD LYS A 30 0.233 11.145 -7.900 1.00 71.41 C ATOM 437 CE LYS A 30 -1.090 11.899 -7.874 1.00 2.30 C ATOM 438 NZ LYS A 30 -1.295 12.695 -9.114 1.00 42.23 N ATOM 0 H LYS A 30 1.459 7.923 -6.160 1.00 75.03 H new ATOM 0 HA LYS A 30 0.005 9.290 -4.104 1.00 4.51 H new ATOM 0 HB2 LYS A 30 -0.582 8.696 -7.045 1.00 55.24 H new ATOM 0 HB3 LYS A 30 -1.459 9.856 -6.068 1.00 55.24 H new ATOM 0 HG2 LYS A 30 0.564 11.217 -5.780 1.00 21.35 H new ATOM 0 HG3 LYS A 30 1.532 10.018 -6.615 1.00 21.35 H new ATOM 0 HD2 LYS A 30 1.038 11.837 -8.146 1.00 71.41 H new ATOM 0 HD3 LYS A 30 0.206 10.395 -8.690 1.00 71.41 H new ATOM 0 HE2 LYS A 30 -1.910 11.191 -7.757 1.00 2.30 H new ATOM 0 HE3 LYS A 30 -1.114 12.561 -7.008 1.00 2.30 H new ATOM 0 HZ1 LYS A 30 -2.206 13.194 -9.060 1.00 42.23 H new ATOM 0 HZ2 LYS A 30 -0.526 13.388 -9.213 1.00 42.23 H new ATOM 0 HZ3 LYS A 30 -1.297 12.060 -9.938 1.00 42.23 H new ATOM 452 N VAL A 31 -2.342 8.195 -4.056 1.00 12.14 N ATOM 453 CA VAL A 31 -3.457 7.403 -3.510 1.00 20.02 C ATOM 454 C VAL A 31 -3.909 6.278 -4.460 1.00 41.11 C ATOM 455 O VAL A 31 -3.934 5.109 -4.073 1.00 31.44 O ATOM 456 CB VAL A 31 -4.680 8.298 -3.171 1.00 14.40 C ATOM 457 CG1 VAL A 31 -5.802 7.483 -2.528 1.00 31.45 C ATOM 458 CG2 VAL A 31 -4.273 9.458 -2.265 1.00 64.40 C ATOM 0 H VAL A 31 -2.499 9.203 -4.031 1.00 12.14 H new ATOM 0 HA VAL A 31 -3.073 6.948 -2.597 1.00 20.02 H new ATOM 0 HB VAL A 31 -5.057 8.710 -4.107 1.00 14.40 H new ATOM 0 HG11 VAL A 31 -6.644 8.138 -2.302 1.00 31.45 H new ATOM 0 HG12 VAL A 31 -6.124 6.701 -3.216 1.00 31.45 H new ATOM 0 HG13 VAL A 31 -5.439 7.028 -1.606 1.00 31.45 H new ATOM 0 HG21 VAL A 31 -5.147 10.070 -2.042 1.00 64.40 H new ATOM 0 HG22 VAL A 31 -3.858 9.066 -1.336 1.00 64.40 H new ATOM 0 HG23 VAL A 31 -3.523 10.067 -2.769 1.00 64.40 H new ATOM 468 N ALA A 32 -4.258 6.627 -5.701 1.00 31.34 N ATOM 469 CA ALA A 32 -4.717 5.632 -6.682 1.00 51.11 C ATOM 470 C ALA A 32 -3.644 4.571 -6.959 1.00 62.32 C ATOM 471 O ALA A 32 -3.946 3.381 -7.091 1.00 1.11 O ATOM 472 CB ALA A 32 -5.122 6.320 -7.977 1.00 22.52 C ATOM 0 H ALA A 32 -4.233 7.584 -6.052 1.00 31.34 H new ATOM 0 HA ALA A 32 -5.583 5.124 -6.258 1.00 51.11 H new ATOM 0 HB1 ALA A 32 -5.460 5.573 -8.695 1.00 22.52 H new ATOM 0 HB2 ALA A 32 -5.930 7.024 -7.778 1.00 22.52 H new ATOM 0 HB3 ALA A 32 -4.266 6.857 -8.387 1.00 22.52 H new ATOM 478 N GLU A 33 -2.394 5.019 -7.045 1.00 53.44 N ATOM 479 CA GLU A 33 -1.245 4.127 -7.244 1.00 55.51 C ATOM 480 C GLU A 33 -1.142 3.082 -6.116 1.00 71.34 C ATOM 481 O GLU A 33 -0.950 1.891 -6.372 1.00 24.21 O ATOM 482 CB GLU A 33 0.046 4.960 -7.323 1.00 4.14 C ATOM 483 CG GLU A 33 0.262 5.688 -8.657 1.00 33.20 C ATOM 484 CD GLU A 33 -0.970 6.424 -9.172 1.00 53.42 C ATOM 485 OE1 GLU A 33 -1.252 7.538 -8.687 1.00 31.34 O ATOM 486 OE2 GLU A 33 -1.657 5.896 -10.076 1.00 64.12 O ATOM 0 H GLU A 33 -2.145 6.006 -6.980 1.00 53.44 H new ATOM 0 HA GLU A 33 -1.387 3.587 -8.180 1.00 55.51 H new ATOM 0 HB2 GLU A 33 0.036 5.697 -6.520 1.00 4.14 H new ATOM 0 HB3 GLU A 33 0.897 4.303 -7.142 1.00 4.14 H new ATOM 0 HG2 GLU A 33 1.077 6.403 -8.541 1.00 33.20 H new ATOM 0 HG3 GLU A 33 0.579 4.963 -9.407 1.00 33.20 H new ATOM 493 N LEU A 34 -1.279 3.539 -4.871 1.00 61.11 N ATOM 494 CA LEU A 34 -1.273 2.645 -3.703 1.00 51.55 C ATOM 495 C LEU A 34 -2.483 1.697 -3.728 1.00 63.33 C ATOM 496 O LEU A 34 -2.355 0.489 -3.516 1.00 54.20 O ATOM 497 CB LEU A 34 -1.287 3.466 -2.402 1.00 60.43 C ATOM 498 CG LEU A 34 -0.092 4.414 -2.203 1.00 74.43 C ATOM 499 CD1 LEU A 34 -0.258 5.236 -0.928 1.00 4.00 C ATOM 500 CD2 LEU A 34 1.218 3.629 -2.166 1.00 21.53 C ATOM 0 H LEU A 34 -1.396 4.526 -4.641 1.00 61.11 H new ATOM 0 HA LEU A 34 -0.362 2.048 -3.743 1.00 51.55 H new ATOM 0 HB2 LEU A 34 -2.204 4.055 -2.375 1.00 60.43 H new ATOM 0 HB3 LEU A 34 -1.326 2.777 -1.559 1.00 60.43 H new ATOM 0 HG LEU A 34 -0.059 5.100 -3.050 1.00 74.43 H new ATOM 0 HD11 LEU A 34 0.599 5.899 -0.808 1.00 4.00 H new ATOM 0 HD12 LEU A 34 -1.170 5.830 -0.994 1.00 4.00 H new ATOM 0 HD13 LEU A 34 -0.322 4.567 -0.070 1.00 4.00 H new ATOM 0 HD21 LEU A 34 2.051 4.318 -2.025 1.00 21.53 H new ATOM 0 HD22 LEU A 34 1.192 2.917 -1.341 1.00 21.53 H new ATOM 0 HD23 LEU A 34 1.347 3.092 -3.106 1.00 21.53 H new ATOM 512 N LYS A 35 -3.659 2.262 -3.998 1.00 33.54 N ATOM 513 CA LYS A 35 -4.905 1.489 -4.077 1.00 71.45 C ATOM 514 C LYS A 35 -4.850 0.422 -5.184 1.00 61.44 C ATOM 515 O LYS A 35 -5.500 -0.620 -5.083 1.00 50.02 O ATOM 516 CB LYS A 35 -6.094 2.432 -4.312 1.00 0.24 C ATOM 517 CG LYS A 35 -6.385 3.356 -3.134 1.00 63.20 C ATOM 518 CD LYS A 35 -7.399 4.452 -3.473 1.00 21.52 C ATOM 519 CE LYS A 35 -8.750 3.901 -3.929 1.00 22.24 C ATOM 520 NZ LYS A 35 -8.750 3.495 -5.364 1.00 43.22 N ATOM 0 H LYS A 35 -3.779 3.261 -4.168 1.00 33.54 H new ATOM 0 HA LYS A 35 -5.033 0.970 -3.127 1.00 71.45 H new ATOM 0 HB2 LYS A 35 -5.897 3.037 -5.197 1.00 0.24 H new ATOM 0 HB3 LYS A 35 -6.982 1.837 -4.524 1.00 0.24 H new ATOM 0 HG2 LYS A 35 -6.762 2.765 -2.299 1.00 63.20 H new ATOM 0 HG3 LYS A 35 -5.455 3.818 -2.803 1.00 63.20 H new ATOM 0 HD2 LYS A 35 -7.548 5.084 -2.597 1.00 21.52 H new ATOM 0 HD3 LYS A 35 -6.989 5.087 -4.258 1.00 21.52 H new ATOM 0 HE2 LYS A 35 -9.014 3.042 -3.312 1.00 22.24 H new ATOM 0 HE3 LYS A 35 -9.519 4.657 -3.769 1.00 22.24 H new ATOM 0 HZ1 LYS A 35 -9.530 3.972 -5.860 1.00 43.22 H new ATOM 0 HZ2 LYS A 35 -7.846 3.765 -5.801 1.00 43.22 H new ATOM 0 HZ3 LYS A 35 -8.874 2.465 -5.433 1.00 43.22 H new ATOM 534 N GLN A 36 -4.079 0.690 -6.239 1.00 33.54 N ATOM 535 CA GLN A 36 -3.895 -0.277 -7.325 1.00 64.40 C ATOM 536 C GLN A 36 -3.221 -1.559 -6.808 1.00 1.11 C ATOM 537 O GLN A 36 -3.676 -2.667 -7.087 1.00 52.42 O ATOM 538 CB GLN A 36 -3.064 0.347 -8.459 1.00 1.14 C ATOM 539 CG GLN A 36 -2.943 -0.533 -9.702 1.00 71.23 C ATOM 540 CD GLN A 36 -4.291 -0.872 -10.321 1.00 74.10 C ATOM 541 OE1 GLN A 36 -5.250 -0.111 -10.220 1.00 52.00 O ATOM 542 NE2 GLN A 36 -4.372 -2.007 -10.979 1.00 31.43 N ATOM 0 H GLN A 36 -3.572 1.566 -6.366 1.00 33.54 H new ATOM 0 HA GLN A 36 -4.877 -0.544 -7.716 1.00 64.40 H new ATOM 0 HB2 GLN A 36 -3.514 1.298 -8.743 1.00 1.14 H new ATOM 0 HB3 GLN A 36 -2.064 0.566 -8.084 1.00 1.14 H new ATOM 0 HG2 GLN A 36 -2.326 -0.024 -10.443 1.00 71.23 H new ATOM 0 HG3 GLN A 36 -2.427 -1.456 -9.438 1.00 71.23 H new ATOM 0 HE21 GLN A 36 -3.558 -2.618 -11.045 1.00 31.43 H new ATOM 0 HE22 GLN A 36 -5.249 -2.277 -11.424 1.00 31.43 H new ATOM 551 N GLU A 37 -2.143 -1.396 -6.042 1.00 54.22 N ATOM 552 CA GLU A 37 -1.463 -2.532 -5.403 1.00 61.43 C ATOM 553 C GLU A 37 -2.397 -3.255 -4.420 1.00 43.04 C ATOM 554 O GLU A 37 -2.480 -4.484 -4.408 1.00 72.51 O ATOM 555 CB GLU A 37 -0.205 -2.051 -4.660 1.00 53.34 C ATOM 556 CG GLU A 37 0.951 -1.666 -5.576 1.00 51.35 C ATOM 557 CD GLU A 37 1.543 -2.869 -6.297 1.00 24.34 C ATOM 558 OE1 GLU A 37 2.309 -3.627 -5.664 1.00 75.00 O ATOM 559 OE2 GLU A 37 1.238 -3.074 -7.490 1.00 25.11 O ATOM 0 H GLU A 37 -1.718 -0.490 -5.846 1.00 54.22 H new ATOM 0 HA GLU A 37 -1.175 -3.233 -6.187 1.00 61.43 H new ATOM 0 HB2 GLU A 37 -0.467 -1.191 -4.043 1.00 53.34 H new ATOM 0 HB3 GLU A 37 0.128 -2.839 -3.984 1.00 53.34 H new ATOM 0 HG2 GLU A 37 0.603 -0.940 -6.311 1.00 51.35 H new ATOM 0 HG3 GLU A 37 1.729 -1.178 -4.989 1.00 51.35 H new ATOM 566 N LEU A 38 -3.105 -2.476 -3.604 1.00 33.34 N ATOM 567 CA LEU A 38 -4.021 -3.019 -2.592 1.00 53.54 C ATOM 568 C LEU A 38 -5.107 -3.922 -3.209 1.00 33.04 C ATOM 569 O LEU A 38 -5.270 -5.074 -2.797 1.00 50.23 O ATOM 570 CB LEU A 38 -4.678 -1.871 -1.821 1.00 5.51 C ATOM 571 CG LEU A 38 -3.731 -1.018 -0.965 1.00 73.23 C ATOM 572 CD1 LEU A 38 -4.470 0.189 -0.401 1.00 61.12 C ATOM 573 CD2 LEU A 38 -3.108 -1.847 0.160 1.00 65.22 C ATOM 0 H LEU A 38 -3.063 -1.457 -3.622 1.00 33.34 H new ATOM 0 HA LEU A 38 -3.431 -3.636 -1.915 1.00 53.54 H new ATOM 0 HB2 LEU A 38 -5.180 -1.218 -2.535 1.00 5.51 H new ATOM 0 HB3 LEU A 38 -5.449 -2.287 -1.173 1.00 5.51 H new ATOM 0 HG LEU A 38 -2.922 -0.663 -1.603 1.00 73.23 H new ATOM 0 HD11 LEU A 38 -3.786 0.784 0.204 1.00 61.12 H new ATOM 0 HD12 LEU A 38 -4.853 0.797 -1.221 1.00 61.12 H new ATOM 0 HD13 LEU A 38 -5.301 -0.150 0.218 1.00 61.12 H new ATOM 0 HD21 LEU A 38 -2.442 -1.217 0.750 1.00 65.22 H new ATOM 0 HD22 LEU A 38 -3.897 -2.242 0.801 1.00 65.22 H new ATOM 0 HD23 LEU A 38 -2.541 -2.674 -0.268 1.00 65.22 H new ATOM 585 N LYS A 39 -5.840 -3.401 -4.199 1.00 42.15 N ATOM 586 CA LYS A 39 -6.949 -4.148 -4.819 1.00 44.11 C ATOM 587 C LYS A 39 -6.477 -5.497 -5.395 1.00 72.35 C ATOM 588 O LYS A 39 -7.176 -6.506 -5.293 1.00 11.42 O ATOM 589 CB LYS A 39 -7.627 -3.307 -5.918 1.00 15.05 C ATOM 590 CG LYS A 39 -6.748 -3.034 -7.137 1.00 43.22 C ATOM 591 CD LYS A 39 -7.485 -2.235 -8.211 1.00 22.23 C ATOM 592 CE LYS A 39 -7.802 -0.818 -7.751 1.00 33.13 C ATOM 593 NZ LYS A 39 -8.504 -0.039 -8.805 1.00 34.20 N ATOM 0 H LYS A 39 -5.690 -2.471 -4.589 1.00 42.15 H new ATOM 0 HA LYS A 39 -7.677 -4.356 -4.035 1.00 44.11 H new ATOM 0 HB2 LYS A 39 -8.531 -3.820 -6.245 1.00 15.05 H new ATOM 0 HB3 LYS A 39 -7.938 -2.354 -5.489 1.00 15.05 H new ATOM 0 HG2 LYS A 39 -5.858 -2.487 -6.826 1.00 43.22 H new ATOM 0 HG3 LYS A 39 -6.410 -3.981 -7.558 1.00 43.22 H new ATOM 0 HD2 LYS A 39 -6.877 -2.195 -9.115 1.00 22.23 H new ATOM 0 HD3 LYS A 39 -8.411 -2.747 -8.472 1.00 22.23 H new ATOM 0 HE2 LYS A 39 -8.421 -0.857 -6.855 1.00 33.13 H new ATOM 0 HE3 LYS A 39 -6.878 -0.309 -7.478 1.00 33.13 H new ATOM 0 HZ1 LYS A 39 -8.702 0.920 -8.454 1.00 34.20 H new ATOM 0 HZ2 LYS A 39 -7.903 0.020 -9.652 1.00 34.20 H new ATOM 0 HZ3 LYS A 39 -9.398 -0.511 -9.048 1.00 34.20 H new ATOM 607 N LEU A 40 -5.280 -5.513 -5.981 1.00 65.34 N ATOM 608 CA LEU A 40 -4.701 -6.744 -6.536 1.00 4.45 C ATOM 609 C LEU A 40 -4.396 -7.771 -5.432 1.00 53.14 C ATOM 610 O LEU A 40 -4.340 -8.977 -5.680 1.00 2.21 O ATOM 611 CB LEU A 40 -3.416 -6.417 -7.312 1.00 22.12 C ATOM 612 CG LEU A 40 -3.594 -5.487 -8.525 1.00 50.13 C ATOM 613 CD1 LEU A 40 -2.241 -5.162 -9.157 1.00 14.32 C ATOM 614 CD2 LEU A 40 -4.532 -6.118 -9.552 1.00 63.14 C ATOM 0 H LEU A 40 -4.689 -4.688 -6.085 1.00 65.34 H new ATOM 0 HA LEU A 40 -5.435 -7.183 -7.212 1.00 4.45 H new ATOM 0 HB2 LEU A 40 -2.704 -5.958 -6.626 1.00 22.12 H new ATOM 0 HB3 LEU A 40 -2.971 -7.351 -7.655 1.00 22.12 H new ATOM 0 HG LEU A 40 -4.042 -4.555 -8.180 1.00 50.13 H new ATOM 0 HD11 LEU A 40 -2.388 -4.503 -10.013 1.00 14.32 H new ATOM 0 HD12 LEU A 40 -1.606 -4.666 -8.423 1.00 14.32 H new ATOM 0 HD13 LEU A 40 -1.763 -6.084 -9.487 1.00 14.32 H new ATOM 0 HD21 LEU A 40 -4.646 -5.446 -10.402 1.00 63.14 H new ATOM 0 HD22 LEU A 40 -4.115 -7.066 -9.892 1.00 63.14 H new ATOM 0 HD23 LEU A 40 -5.506 -6.293 -9.096 1.00 63.14 H new ATOM 626 N ARG A 41 -4.204 -7.279 -4.210 1.00 52.43 N ATOM 627 CA ARG A 41 -3.851 -8.129 -3.067 1.00 10.42 C ATOM 628 C ARG A 41 -5.032 -8.296 -2.094 1.00 65.54 C ATOM 629 O ARG A 41 -4.856 -8.758 -0.965 1.00 4.11 O ATOM 630 CB ARG A 41 -2.648 -7.518 -2.343 1.00 5.44 C ATOM 631 CG ARG A 41 -1.500 -7.177 -3.287 1.00 64.22 C ATOM 632 CD ARG A 41 -0.358 -6.459 -2.580 1.00 42.12 C ATOM 633 NE ARG A 41 0.641 -5.981 -3.531 1.00 45.21 N ATOM 634 CZ ARG A 41 1.571 -6.735 -4.055 1.00 73.35 C ATOM 635 NH1 ARG A 41 1.664 -7.987 -3.733 1.00 42.35 N ATOM 636 NH2 ARG A 41 2.403 -6.238 -4.910 1.00 23.13 N ATOM 0 H ARG A 41 -4.287 -6.288 -3.981 1.00 52.43 H new ATOM 0 HA ARG A 41 -3.597 -9.122 -3.439 1.00 10.42 H new ATOM 0 HB2 ARG A 41 -2.964 -6.614 -1.822 1.00 5.44 H new ATOM 0 HB3 ARG A 41 -2.293 -8.216 -1.585 1.00 5.44 H new ATOM 0 HG2 ARG A 41 -1.123 -8.093 -3.741 1.00 64.22 H new ATOM 0 HG3 ARG A 41 -1.873 -6.550 -4.097 1.00 64.22 H new ATOM 0 HD2 ARG A 41 -0.752 -5.617 -2.011 1.00 42.12 H new ATOM 0 HD3 ARG A 41 0.112 -7.135 -1.866 1.00 42.12 H new ATOM 0 HE ARG A 41 0.611 -4.998 -3.803 1.00 45.21 H new ATOM 0 HH11 ARG A 41 1.008 -8.392 -3.065 1.00 42.35 H new ATOM 0 HH12 ARG A 41 2.393 -8.567 -4.147 1.00 42.35 H new ATOM 0 HH21 ARG A 41 2.334 -5.256 -5.177 1.00 23.13 H new ATOM 0 HH22 ARG A 41 3.128 -6.828 -5.318 1.00 23.13 H new ATOM 650 N SER A 42 -6.234 -7.917 -2.544 1.00 34.13 N ATOM 651 CA SER A 42 -7.463 -8.039 -1.733 1.00 12.01 C ATOM 652 C SER A 42 -7.406 -7.178 -0.459 1.00 1.01 C ATOM 653 O SER A 42 -8.143 -7.414 0.501 1.00 1.30 O ATOM 654 CB SER A 42 -7.723 -9.509 -1.364 1.00 71.14 C ATOM 655 OG SER A 42 -7.929 -10.301 -2.527 1.00 60.41 O ATOM 0 H SER A 42 -6.388 -7.520 -3.471 1.00 34.13 H new ATOM 0 HA SER A 42 -8.287 -7.670 -2.344 1.00 12.01 H new ATOM 0 HB2 SER A 42 -6.877 -9.900 -0.799 1.00 71.14 H new ATOM 0 HB3 SER A 42 -8.597 -9.575 -0.716 1.00 71.14 H new ATOM 0 HG SER A 42 -8.090 -11.231 -2.265 1.00 60.41 H new ATOM 661 N LEU A 43 -6.553 -6.161 -0.476 1.00 74.03 N ATOM 662 CA LEU A 43 -6.377 -5.254 0.667 1.00 41.41 C ATOM 663 C LEU A 43 -7.361 -4.071 0.606 1.00 31.20 C ATOM 664 O LEU A 43 -7.735 -3.626 -0.482 1.00 52.15 O ATOM 665 CB LEU A 43 -4.931 -4.734 0.686 1.00 33.23 C ATOM 666 CG LEU A 43 -3.861 -5.769 1.068 1.00 61.40 C ATOM 667 CD1 LEU A 43 -2.466 -5.281 0.683 1.00 1.21 C ATOM 668 CD2 LEU A 43 -3.928 -6.058 2.564 1.00 63.34 C ATOM 0 H LEU A 43 -5.962 -5.937 -1.277 1.00 74.03 H new ATOM 0 HA LEU A 43 -6.584 -5.810 1.581 1.00 41.41 H new ATOM 0 HB2 LEU A 43 -4.693 -4.338 -0.301 1.00 33.23 H new ATOM 0 HB3 LEU A 43 -4.872 -3.901 1.386 1.00 33.23 H new ATOM 0 HG LEU A 43 -4.059 -6.689 0.518 1.00 61.40 H new ATOM 0 HD11 LEU A 43 -1.727 -6.032 0.964 1.00 1.21 H new ATOM 0 HD12 LEU A 43 -2.423 -5.115 -0.393 1.00 1.21 H new ATOM 0 HD13 LEU A 43 -2.251 -4.348 1.203 1.00 1.21 H new ATOM 0 HD21 LEU A 43 -3.167 -6.792 2.827 1.00 63.34 H new ATOM 0 HD22 LEU A 43 -3.752 -5.138 3.121 1.00 63.34 H new ATOM 0 HD23 LEU A 43 -4.913 -6.451 2.815 1.00 63.34 H new ATOM 680 N PRO A 44 -7.806 -3.557 1.776 1.00 71.01 N ATOM 681 CA PRO A 44 -8.704 -2.384 1.848 1.00 61.33 C ATOM 682 C PRO A 44 -8.156 -1.143 1.122 1.00 41.50 C ATOM 683 O PRO A 44 -7.111 -0.597 1.493 1.00 21.12 O ATOM 684 CB PRO A 44 -8.819 -2.110 3.355 1.00 31.35 C ATOM 685 CG PRO A 44 -8.512 -3.414 4.005 1.00 34.14 C ATOM 686 CD PRO A 44 -7.503 -4.096 3.118 1.00 40.45 C ATOM 0 HA PRO A 44 -9.654 -2.589 1.355 1.00 61.33 H new ATOM 0 HB2 PRO A 44 -8.119 -1.337 3.671 1.00 31.35 H new ATOM 0 HB3 PRO A 44 -9.818 -1.763 3.618 1.00 31.35 H new ATOM 0 HG2 PRO A 44 -8.112 -3.265 5.008 1.00 34.14 H new ATOM 0 HG3 PRO A 44 -9.412 -4.020 4.108 1.00 34.14 H new ATOM 0 HD2 PRO A 44 -6.482 -3.867 3.422 1.00 40.45 H new ATOM 0 HD3 PRO A 44 -7.609 -5.180 3.149 1.00 40.45 H new ATOM 694 N VAL A 45 -8.876 -0.696 0.093 1.00 22.31 N ATOM 695 CA VAL A 45 -8.475 0.478 -0.694 1.00 71.02 C ATOM 696 C VAL A 45 -9.100 1.777 -0.152 1.00 52.33 C ATOM 697 O VAL A 45 -8.629 2.876 -0.446 1.00 53.33 O ATOM 698 CB VAL A 45 -8.868 0.315 -2.186 1.00 35.21 C ATOM 699 CG1 VAL A 45 -8.183 -0.910 -2.795 1.00 63.11 C ATOM 700 CG2 VAL A 45 -10.388 0.228 -2.348 1.00 61.22 C ATOM 0 H VAL A 45 -9.745 -1.130 -0.219 1.00 22.31 H new ATOM 0 HA VAL A 45 -7.391 0.549 -0.608 1.00 71.02 H new ATOM 0 HB VAL A 45 -8.525 1.199 -2.724 1.00 35.21 H new ATOM 0 HG11 VAL A 45 -8.472 -1.006 -3.842 1.00 63.11 H new ATOM 0 HG12 VAL A 45 -7.101 -0.794 -2.727 1.00 63.11 H new ATOM 0 HG13 VAL A 45 -8.487 -1.805 -2.251 1.00 63.11 H new ATOM 0 HG21 VAL A 45 -10.635 0.114 -3.403 1.00 61.22 H new ATOM 0 HG22 VAL A 45 -10.765 -0.631 -1.792 1.00 61.22 H new ATOM 0 HG23 VAL A 45 -10.848 1.139 -1.964 1.00 61.22 H new ATOM 710 N SER A 46 -10.157 1.643 0.647 1.00 62.53 N ATOM 711 CA SER A 46 -10.880 2.805 1.192 1.00 71.50 C ATOM 712 C SER A 46 -10.223 3.344 2.470 1.00 50.35 C ATOM 713 O SER A 46 -10.886 3.542 3.489 1.00 54.23 O ATOM 714 CB SER A 46 -12.347 2.441 1.472 1.00 71.42 C ATOM 715 OG SER A 46 -13.016 2.037 0.284 1.00 1.13 O ATOM 0 H SER A 46 -10.537 0.742 0.936 1.00 62.53 H new ATOM 0 HA SER A 46 -10.839 3.592 0.439 1.00 71.50 H new ATOM 0 HB2 SER A 46 -12.390 1.637 2.207 1.00 71.42 H new ATOM 0 HB3 SER A 46 -12.860 3.299 1.907 1.00 71.42 H new ATOM 0 HG SER A 46 -13.946 1.810 0.493 1.00 1.13 H new ATOM 721 N GLY A 47 -8.915 3.577 2.414 1.00 50.43 N ATOM 722 CA GLY A 47 -8.200 4.182 3.537 1.00 12.41 C ATOM 723 C GLY A 47 -7.426 5.433 3.133 1.00 51.43 C ATOM 724 O GLY A 47 -7.224 5.690 1.944 1.00 51.05 O ATOM 0 H GLY A 47 -8.330 3.358 1.608 1.00 50.43 H new ATOM 0 HA2 GLY A 47 -8.912 4.437 4.322 1.00 12.41 H new ATOM 0 HA3 GLY A 47 -7.509 3.452 3.959 1.00 12.41 H new ATOM 728 N THR A 48 -6.989 6.214 4.118 1.00 41.33 N ATOM 729 CA THR A 48 -6.209 7.433 3.850 1.00 3.01 C ATOM 730 C THR A 48 -4.756 7.109 3.473 1.00 54.15 C ATOM 731 O THR A 48 -4.278 5.998 3.699 1.00 44.12 O ATOM 732 CB THR A 48 -6.209 8.402 5.059 1.00 15.15 C ATOM 733 OG1 THR A 48 -5.645 7.762 6.216 1.00 14.00 O ATOM 734 CG2 THR A 48 -7.620 8.882 5.379 1.00 13.45 C ATOM 0 H THR A 48 -7.158 6.031 5.107 1.00 41.33 H new ATOM 0 HA THR A 48 -6.699 7.920 3.007 1.00 3.01 H new ATOM 0 HB THR A 48 -5.600 9.265 4.791 1.00 15.15 H new ATOM 0 HG1 THR A 48 -6.298 7.138 6.595 1.00 14.00 H new ATOM 0 HG21 THR A 48 -7.589 9.560 6.232 1.00 13.45 H new ATOM 0 HG22 THR A 48 -8.032 9.404 4.515 1.00 13.45 H new ATOM 0 HG23 THR A 48 -8.250 8.026 5.620 1.00 13.45 H new ATOM 742 N LYS A 49 -4.056 8.100 2.917 1.00 21.14 N ATOM 743 CA LYS A 49 -2.687 7.930 2.399 1.00 13.42 C ATOM 744 C LYS A 49 -1.784 7.135 3.364 1.00 65.34 C ATOM 745 O LYS A 49 -1.171 6.137 2.979 1.00 3.14 O ATOM 746 CB LYS A 49 -2.065 9.309 2.133 1.00 34.55 C ATOM 747 CG LYS A 49 -0.779 9.273 1.312 1.00 13.10 C ATOM 748 CD LYS A 49 -1.035 8.822 -0.127 1.00 23.42 C ATOM 749 CE LYS A 49 0.171 9.079 -1.025 1.00 13.13 C ATOM 750 NZ LYS A 49 1.353 8.258 -0.644 1.00 43.35 N ATOM 0 H LYS A 49 -4.419 9.047 2.811 1.00 21.14 H new ATOM 0 HA LYS A 49 -2.758 7.358 1.474 1.00 13.42 H new ATOM 0 HB2 LYS A 49 -2.796 9.930 1.614 1.00 34.55 H new ATOM 0 HB3 LYS A 49 -1.858 9.791 3.088 1.00 34.55 H new ATOM 0 HG2 LYS A 49 -0.324 10.263 1.307 1.00 13.10 H new ATOM 0 HG3 LYS A 49 -0.066 8.597 1.783 1.00 13.10 H new ATOM 0 HD2 LYS A 49 -1.276 7.759 -0.137 1.00 23.42 H new ATOM 0 HD3 LYS A 49 -1.903 9.349 -0.524 1.00 23.42 H new ATOM 0 HE2 LYS A 49 -0.098 8.864 -2.059 1.00 13.13 H new ATOM 0 HE3 LYS A 49 0.436 10.135 -0.978 1.00 13.13 H new ATOM 0 HZ1 LYS A 49 2.150 8.884 -0.412 1.00 43.35 H new ATOM 0 HZ2 LYS A 49 1.118 7.675 0.185 1.00 43.35 H new ATOM 0 HZ3 LYS A 49 1.617 7.640 -1.438 1.00 43.35 H new ATOM 764 N THR A 50 -1.708 7.583 4.615 1.00 72.02 N ATOM 765 CA THR A 50 -0.879 6.916 5.630 1.00 22.31 C ATOM 766 C THR A 50 -1.346 5.477 5.888 1.00 42.03 C ATOM 767 O THR A 50 -0.527 4.561 5.988 1.00 62.00 O ATOM 768 CB THR A 50 -0.877 7.695 6.967 1.00 40.13 C ATOM 769 OG1 THR A 50 -0.442 9.048 6.746 1.00 10.44 O ATOM 770 CG2 THR A 50 0.033 7.034 7.999 1.00 42.52 C ATOM 0 H THR A 50 -2.208 8.404 4.955 1.00 72.02 H new ATOM 0 HA THR A 50 0.135 6.893 5.230 1.00 22.31 H new ATOM 0 HB THR A 50 -1.896 7.690 7.355 1.00 40.13 H new ATOM 0 HG1 THR A 50 -0.445 9.536 7.596 1.00 10.44 H new ATOM 0 HG21 THR A 50 0.010 7.608 8.925 1.00 42.52 H new ATOM 0 HG22 THR A 50 -0.313 6.019 8.192 1.00 42.52 H new ATOM 0 HG23 THR A 50 1.053 7.003 7.617 1.00 42.52 H new ATOM 778 N GLU A 51 -2.666 5.277 5.983 1.00 4.24 N ATOM 779 CA GLU A 51 -3.233 3.934 6.183 1.00 24.22 C ATOM 780 C GLU A 51 -2.796 2.982 5.062 1.00 64.35 C ATOM 781 O GLU A 51 -2.448 1.827 5.312 1.00 33.40 O ATOM 782 CB GLU A 51 -4.769 3.989 6.239 1.00 13.13 C ATOM 783 CG GLU A 51 -5.327 4.757 7.432 1.00 22.14 C ATOM 784 CD GLU A 51 -6.851 4.752 7.466 1.00 61.34 C ATOM 785 OE1 GLU A 51 -7.439 3.765 7.958 1.00 72.00 O ATOM 786 OE2 GLU A 51 -7.467 5.725 6.986 1.00 12.43 O ATOM 0 H GLU A 51 -3.360 6.022 5.925 1.00 4.24 H new ATOM 0 HA GLU A 51 -2.857 3.558 7.134 1.00 24.22 H new ATOM 0 HB2 GLU A 51 -5.138 4.448 5.322 1.00 13.13 H new ATOM 0 HB3 GLU A 51 -5.157 2.971 6.264 1.00 13.13 H new ATOM 0 HG2 GLU A 51 -4.944 4.319 8.354 1.00 22.14 H new ATOM 0 HG3 GLU A 51 -4.971 5.786 7.397 1.00 22.14 H new ATOM 793 N LEU A 52 -2.806 3.483 3.828 1.00 62.11 N ATOM 794 CA LEU A 52 -2.400 2.691 2.662 1.00 3.31 C ATOM 795 C LEU A 52 -0.916 2.292 2.751 1.00 41.22 C ATOM 796 O LEU A 52 -0.549 1.149 2.470 1.00 60.31 O ATOM 797 CB LEU A 52 -2.648 3.485 1.367 1.00 0.13 C ATOM 798 CG LEU A 52 -4.053 4.102 1.220 1.00 52.22 C ATOM 799 CD1 LEU A 52 -4.194 4.820 -0.121 1.00 61.52 C ATOM 800 CD2 LEU A 52 -5.139 3.042 1.385 1.00 71.44 C ATOM 0 H LEU A 52 -3.091 4.437 3.607 1.00 62.11 H new ATOM 0 HA LEU A 52 -3.001 1.782 2.649 1.00 3.31 H new ATOM 0 HB2 LEU A 52 -1.911 4.286 1.307 1.00 0.13 H new ATOM 0 HB3 LEU A 52 -2.471 2.825 0.518 1.00 0.13 H new ATOM 0 HG LEU A 52 -4.180 4.838 2.014 1.00 52.22 H new ATOM 0 HD11 LEU A 52 -5.194 5.247 -0.202 1.00 61.52 H new ATOM 0 HD12 LEU A 52 -3.453 5.616 -0.187 1.00 61.52 H new ATOM 0 HD13 LEU A 52 -4.036 4.109 -0.932 1.00 61.52 H new ATOM 0 HD21 LEU A 52 -6.119 3.506 1.276 1.00 71.44 H new ATOM 0 HD22 LEU A 52 -5.015 2.272 0.623 1.00 71.44 H new ATOM 0 HD23 LEU A 52 -5.059 2.590 2.374 1.00 71.44 H new ATOM 812 N ILE A 53 -0.071 3.244 3.154 1.00 72.15 N ATOM 813 CA ILE A 53 1.373 3.004 3.283 1.00 51.10 C ATOM 814 C ILE A 53 1.678 1.975 4.385 1.00 34.24 C ATOM 815 O ILE A 53 2.396 0.998 4.153 1.00 2.30 O ATOM 816 CB ILE A 53 2.135 4.323 3.580 1.00 23.20 C ATOM 817 CG1 ILE A 53 1.845 5.365 2.488 1.00 1.41 C ATOM 818 CG2 ILE A 53 3.639 4.065 3.686 1.00 42.12 C ATOM 819 CD1 ILE A 53 2.447 6.728 2.761 1.00 3.51 C ATOM 0 H ILE A 53 -0.360 4.191 3.398 1.00 72.15 H new ATOM 0 HA ILE A 53 1.714 2.603 2.329 1.00 51.10 H new ATOM 0 HB ILE A 53 1.786 4.714 4.536 1.00 23.20 H new ATOM 0 HG12 ILE A 53 2.227 4.995 1.536 1.00 1.41 H new ATOM 0 HG13 ILE A 53 0.766 5.471 2.379 1.00 1.41 H new ATOM 0 HG21 ILE A 53 4.155 5.002 3.894 1.00 42.12 H new ATOM 0 HG22 ILE A 53 3.831 3.358 4.493 1.00 42.12 H new ATOM 0 HG23 ILE A 53 4.004 3.651 2.746 1.00 42.12 H new ATOM 0 HD11 ILE A 53 2.197 7.406 1.945 1.00 3.51 H new ATOM 0 HD12 ILE A 53 2.047 7.122 3.695 1.00 3.51 H new ATOM 0 HD13 ILE A 53 3.530 6.638 2.840 1.00 3.51 H new ATOM 831 N GLU A 54 1.133 2.198 5.585 1.00 65.32 N ATOM 832 CA GLU A 54 1.312 1.258 6.701 1.00 54.04 C ATOM 833 C GLU A 54 0.806 -0.143 6.327 1.00 63.51 C ATOM 834 O GLU A 54 1.468 -1.145 6.588 1.00 42.32 O ATOM 835 CB GLU A 54 0.580 1.750 7.964 1.00 0.25 C ATOM 836 CG GLU A 54 1.112 3.065 8.535 1.00 63.31 C ATOM 837 CD GLU A 54 0.480 3.414 9.878 1.00 62.54 C ATOM 838 OE1 GLU A 54 -0.582 4.070 9.897 1.00 61.32 O ATOM 839 OE2 GLU A 54 1.037 3.017 10.926 1.00 41.22 O ATOM 0 H GLU A 54 0.567 3.016 5.810 1.00 65.32 H new ATOM 0 HA GLU A 54 2.380 1.204 6.912 1.00 54.04 H new ATOM 0 HB2 GLU A 54 -0.478 1.872 7.731 1.00 0.25 H new ATOM 0 HB3 GLU A 54 0.651 0.980 8.732 1.00 0.25 H new ATOM 0 HG2 GLU A 54 2.193 2.996 8.653 1.00 63.31 H new ATOM 0 HG3 GLU A 54 0.919 3.870 7.826 1.00 63.31 H new ATOM 846 N ARG A 55 -0.367 -0.188 5.700 1.00 3.13 N ATOM 847 CA ARG A 55 -0.985 -1.444 5.265 1.00 5.41 C ATOM 848 C ARG A 55 -0.068 -2.239 4.319 1.00 22.42 C ATOM 849 O ARG A 55 0.113 -3.446 4.485 1.00 33.42 O ATOM 850 CB ARG A 55 -2.325 -1.137 4.584 1.00 2.32 C ATOM 851 CG ARG A 55 -3.052 -2.356 4.027 1.00 32.33 C ATOM 852 CD ARG A 55 -4.513 -2.029 3.734 1.00 71.23 C ATOM 853 NE ARG A 55 -5.228 -1.676 4.960 1.00 33.31 N ATOM 854 CZ ARG A 55 -6.012 -0.640 5.101 1.00 32.34 C ATOM 855 NH1 ARG A 55 -6.297 0.126 4.095 1.00 40.33 N ATOM 856 NH2 ARG A 55 -6.537 -0.389 6.253 1.00 23.03 N ATOM 0 H ARG A 55 -0.917 0.642 5.478 1.00 3.13 H new ATOM 0 HA ARG A 55 -1.151 -2.067 6.144 1.00 5.41 H new ATOM 0 HB2 ARG A 55 -2.976 -0.640 5.303 1.00 2.32 H new ATOM 0 HB3 ARG A 55 -2.151 -0.432 3.771 1.00 2.32 H new ATOM 0 HG2 ARG A 55 -2.560 -2.693 3.114 1.00 32.33 H new ATOM 0 HG3 ARG A 55 -2.995 -3.177 4.742 1.00 32.33 H new ATOM 0 HD2 ARG A 55 -4.569 -1.203 3.025 1.00 71.23 H new ATOM 0 HD3 ARG A 55 -4.994 -2.886 3.263 1.00 71.23 H new ATOM 0 HE ARG A 55 -5.105 -2.286 5.768 1.00 33.31 H new ATOM 0 HH11 ARG A 55 -5.907 -0.075 3.174 1.00 40.33 H new ATOM 0 HH12 ARG A 55 -6.911 0.930 4.224 1.00 40.33 H new ATOM 0 HH21 ARG A 55 -6.339 -0.998 7.047 1.00 23.03 H new ATOM 0 HH22 ARG A 55 -7.150 0.418 6.369 1.00 23.03 H new ATOM 870 N LEU A 56 0.508 -1.555 3.335 1.00 13.41 N ATOM 871 CA LEU A 56 1.444 -2.188 2.397 1.00 34.22 C ATOM 872 C LEU A 56 2.711 -2.690 3.109 1.00 52.12 C ATOM 873 O LEU A 56 3.121 -3.841 2.932 1.00 44.12 O ATOM 874 CB LEU A 56 1.820 -1.205 1.274 1.00 11.21 C ATOM 875 CG LEU A 56 0.707 -0.914 0.252 1.00 22.10 C ATOM 876 CD1 LEU A 56 1.144 0.171 -0.730 1.00 23.35 C ATOM 877 CD2 LEU A 56 0.317 -2.190 -0.493 1.00 35.10 C ATOM 0 H LEU A 56 0.347 -0.563 3.162 1.00 13.41 H new ATOM 0 HA LEU A 56 0.942 -3.053 1.964 1.00 34.22 H new ATOM 0 HB2 LEU A 56 2.129 -0.263 1.727 1.00 11.21 H new ATOM 0 HB3 LEU A 56 2.684 -1.602 0.741 1.00 11.21 H new ATOM 0 HG LEU A 56 -0.167 -0.551 0.792 1.00 22.10 H new ATOM 0 HD11 LEU A 56 0.342 0.361 -1.443 1.00 23.35 H new ATOM 0 HD12 LEU A 56 1.368 1.087 -0.184 1.00 23.35 H new ATOM 0 HD13 LEU A 56 2.034 -0.159 -1.265 1.00 23.35 H new ATOM 0 HD21 LEU A 56 -0.471 -1.965 -1.212 1.00 35.10 H new ATOM 0 HD22 LEU A 56 1.186 -2.584 -1.019 1.00 35.10 H new ATOM 0 HD23 LEU A 56 -0.043 -2.932 0.220 1.00 35.10 H new ATOM 889 N ARG A 57 3.321 -1.829 3.924 1.00 51.42 N ATOM 890 CA ARG A 57 4.555 -2.183 4.638 1.00 75.54 C ATOM 891 C ARG A 57 4.325 -3.320 5.649 1.00 21.40 C ATOM 892 O ARG A 57 5.180 -4.186 5.815 1.00 0.52 O ATOM 893 CB ARG A 57 5.142 -0.954 5.349 1.00 65.30 C ATOM 894 CG ARG A 57 5.511 0.187 4.404 1.00 22.13 C ATOM 895 CD ARG A 57 6.171 1.349 5.147 1.00 2.10 C ATOM 896 NE ARG A 57 5.341 1.840 6.250 1.00 12.51 N ATOM 897 CZ ARG A 57 5.304 3.083 6.648 1.00 12.15 C ATOM 898 NH1 ARG A 57 6.019 3.989 6.063 1.00 43.42 N ATOM 899 NH2 ARG A 57 4.540 3.415 7.637 1.00 62.15 N ATOM 0 H ARG A 57 2.985 -0.884 4.108 1.00 51.42 H new ATOM 0 HA ARG A 57 5.268 -2.538 3.894 1.00 75.54 H new ATOM 0 HB2 ARG A 57 4.420 -0.589 6.079 1.00 65.30 H new ATOM 0 HB3 ARG A 57 6.031 -1.256 5.903 1.00 65.30 H new ATOM 0 HG2 ARG A 57 6.188 -0.183 3.634 1.00 22.13 H new ATOM 0 HG3 ARG A 57 4.615 0.543 3.896 1.00 22.13 H new ATOM 0 HD2 ARG A 57 7.137 1.028 5.536 1.00 2.10 H new ATOM 0 HD3 ARG A 57 6.363 2.163 4.448 1.00 2.10 H new ATOM 0 HE ARG A 57 4.753 1.166 6.740 1.00 12.51 H new ATOM 0 HH11 ARG A 57 6.622 3.736 5.280 1.00 43.42 H new ATOM 0 HH12 ARG A 57 5.980 4.956 6.385 1.00 43.42 H new ATOM 0 HH21 ARG A 57 3.971 2.708 8.102 1.00 62.15 H new ATOM 0 HH22 ARG A 57 4.507 4.384 7.953 1.00 62.15 H new ATOM 913 N ALA A 58 3.171 -3.315 6.314 1.00 25.11 N ATOM 914 CA ALA A 58 2.828 -4.361 7.288 1.00 63.30 C ATOM 915 C ALA A 58 2.469 -5.682 6.589 1.00 34.31 C ATOM 916 O ALA A 58 2.748 -6.771 7.099 1.00 1.32 O ATOM 917 CB ALA A 58 1.677 -3.898 8.176 1.00 71.14 C ATOM 0 H ALA A 58 2.454 -2.599 6.199 1.00 25.11 H new ATOM 0 HA ALA A 58 3.705 -4.542 7.910 1.00 63.30 H new ATOM 0 HB1 ALA A 58 1.433 -4.682 8.893 1.00 71.14 H new ATOM 0 HB2 ALA A 58 1.971 -2.995 8.711 1.00 71.14 H new ATOM 0 HB3 ALA A 58 0.804 -3.686 7.559 1.00 71.14 H new ATOM 923 N TYR A 59 1.838 -5.580 5.421 1.00 42.21 N ATOM 924 CA TYR A 59 1.514 -6.756 4.607 1.00 0.40 C ATOM 925 C TYR A 59 2.796 -7.453 4.125 1.00 13.34 C ATOM 926 O TYR A 59 3.006 -8.641 4.376 1.00 74.32 O ATOM 927 CB TYR A 59 0.647 -6.341 3.408 1.00 55.23 C ATOM 928 CG TYR A 59 0.229 -7.491 2.502 1.00 44.15 C ATOM 929 CD1 TYR A 59 -0.738 -8.408 2.906 1.00 62.41 C ATOM 930 CD2 TYR A 59 0.804 -7.660 1.246 1.00 63.43 C ATOM 931 CE1 TYR A 59 -1.123 -9.449 2.084 1.00 70.32 C ATOM 932 CE2 TYR A 59 0.420 -8.699 0.420 1.00 50.32 C ATOM 933 CZ TYR A 59 -0.540 -9.593 0.846 1.00 72.41 C ATOM 934 OH TYR A 59 -0.929 -10.630 0.026 1.00 61.35 O ATOM 0 H TYR A 59 1.539 -4.694 5.014 1.00 42.21 H new ATOM 0 HA TYR A 59 0.954 -7.461 5.221 1.00 0.40 H new ATOM 0 HB2 TYR A 59 -0.249 -5.843 3.779 1.00 55.23 H new ATOM 0 HB3 TYR A 59 1.196 -5.609 2.815 1.00 55.23 H new ATOM 0 HD1 TYR A 59 -1.195 -8.303 3.879 1.00 62.41 H new ATOM 0 HD2 TYR A 59 1.563 -6.968 0.911 1.00 63.43 H new ATOM 0 HE1 TYR A 59 -1.879 -10.147 2.412 1.00 70.32 H new ATOM 0 HE2 TYR A 59 0.870 -8.811 -0.555 1.00 50.32 H new ATOM 0 HH TYR A 59 -0.423 -10.591 -0.813 1.00 61.35 H new ATOM 944 N GLN A 60 3.656 -6.694 3.446 1.00 41.12 N ATOM 945 CA GLN A 60 4.941 -7.212 2.960 1.00 52.15 C ATOM 946 C GLN A 60 5.821 -7.711 4.120 1.00 15.42 C ATOM 947 O GLN A 60 6.504 -8.729 4.005 1.00 31.34 O ATOM 948 CB GLN A 60 5.676 -6.119 2.171 1.00 53.14 C ATOM 949 CG GLN A 60 7.003 -6.566 1.558 1.00 41.51 C ATOM 950 CD GLN A 60 6.851 -7.713 0.572 1.00 24.13 C ATOM 951 OE1 GLN A 60 5.825 -7.859 -0.088 1.00 42.30 O ATOM 952 NE2 GLN A 60 7.874 -8.534 0.457 1.00 63.34 N ATOM 0 H GLN A 60 3.488 -5.714 3.218 1.00 41.12 H new ATOM 0 HA GLN A 60 4.740 -8.061 2.306 1.00 52.15 H new ATOM 0 HB2 GLN A 60 5.024 -5.762 1.374 1.00 53.14 H new ATOM 0 HB3 GLN A 60 5.862 -5.273 2.833 1.00 53.14 H new ATOM 0 HG2 GLN A 60 7.465 -5.719 1.051 1.00 41.51 H new ATOM 0 HG3 GLN A 60 7.681 -6.869 2.356 1.00 41.51 H new ATOM 0 HE21 GLN A 60 8.712 -8.386 1.019 1.00 63.34 H new ATOM 0 HE22 GLN A 60 7.828 -9.318 -0.194 1.00 63.34 H new ATOM 961 N ASP A 61 5.785 -6.986 5.237 1.00 3.54 N ATOM 962 CA ASP A 61 6.552 -7.340 6.439 1.00 42.11 C ATOM 963 C ASP A 61 6.264 -8.780 6.907 1.00 51.11 C ATOM 964 O ASP A 61 7.173 -9.603 7.020 1.00 13.35 O ATOM 965 CB ASP A 61 6.205 -6.356 7.562 1.00 43.42 C ATOM 966 CG ASP A 61 7.046 -6.550 8.812 1.00 64.33 C ATOM 967 OD1 ASP A 61 6.678 -7.386 9.659 1.00 23.32 O ATOM 968 OD2 ASP A 61 8.066 -5.846 8.959 1.00 23.14 O ATOM 0 H ASP A 61 5.226 -6.139 5.338 1.00 3.54 H new ATOM 0 HA ASP A 61 7.612 -7.282 6.192 1.00 42.11 H new ATOM 0 HB2 ASP A 61 6.338 -5.338 7.197 1.00 43.42 H new ATOM 0 HB3 ASP A 61 5.152 -6.467 7.820 1.00 43.42 H new ATOM 973 N GLN A 62 4.988 -9.069 7.161 1.00 15.35 N ATOM 974 CA GLN A 62 4.584 -10.354 7.747 1.00 13.44 C ATOM 975 C GLN A 62 4.689 -11.527 6.753 1.00 14.35 C ATOM 976 O GLN A 62 4.924 -12.668 7.161 1.00 20.34 O ATOM 977 CB GLN A 62 3.153 -10.255 8.291 1.00 3.22 C ATOM 978 CG GLN A 62 2.096 -10.011 7.220 1.00 40.04 C ATOM 979 CD GLN A 62 0.719 -9.766 7.808 1.00 65.13 C ATOM 980 OE1 GLN A 62 -0.050 -10.695 8.035 1.00 0.41 O ATOM 981 NE2 GLN A 62 0.400 -8.513 8.066 1.00 4.10 N ATOM 0 H GLN A 62 4.214 -8.433 6.971 1.00 15.35 H new ATOM 0 HA GLN A 62 5.279 -10.564 8.560 1.00 13.44 H new ATOM 0 HB2 GLN A 62 2.912 -11.177 8.821 1.00 3.22 H new ATOM 0 HB3 GLN A 62 3.108 -9.447 9.021 1.00 3.22 H new ATOM 0 HG2 GLN A 62 2.387 -9.152 6.615 1.00 40.04 H new ATOM 0 HG3 GLN A 62 2.055 -10.872 6.552 1.00 40.04 H new ATOM 0 HE21 GLN A 62 1.064 -7.766 7.864 1.00 4.10 H new ATOM 0 HE22 GLN A 62 -0.511 -8.291 8.467 1.00 4.10 H new ATOM 990 N ILE A 63 4.502 -11.262 5.458 1.00 10.24 N ATOM 991 CA ILE A 63 4.589 -12.326 4.442 1.00 52.33 C ATOM 992 C ILE A 63 6.051 -12.628 4.068 1.00 22.11 C ATOM 993 O ILE A 63 6.357 -13.688 3.518 1.00 62.22 O ATOM 994 CB ILE A 63 3.789 -11.981 3.157 1.00 1.22 C ATOM 995 CG1 ILE A 63 4.402 -10.765 2.437 1.00 25.14 C ATOM 996 CG2 ILE A 63 2.315 -11.737 3.492 1.00 63.12 C ATOM 997 CD1 ILE A 63 3.712 -10.403 1.138 1.00 41.21 C ATOM 0 H ILE A 63 4.292 -10.335 5.087 1.00 10.24 H new ATOM 0 HA ILE A 63 4.144 -13.212 4.894 1.00 52.33 H new ATOM 0 HB ILE A 63 3.847 -12.832 2.479 1.00 1.22 H new ATOM 0 HG12 ILE A 63 4.368 -9.905 3.106 1.00 25.14 H new ATOM 0 HG13 ILE A 63 5.453 -10.969 2.233 1.00 25.14 H new ATOM 0 HG21 ILE A 63 1.769 -11.496 2.580 1.00 63.12 H new ATOM 0 HG22 ILE A 63 1.891 -12.634 3.942 1.00 63.12 H new ATOM 0 HG23 ILE A 63 2.234 -10.906 4.193 1.00 63.12 H new ATOM 0 HD11 ILE A 63 4.203 -9.537 0.694 1.00 41.21 H new ATOM 0 HD12 ILE A 63 3.769 -11.246 0.449 1.00 41.21 H new ATOM 0 HD13 ILE A 63 2.667 -10.165 1.335 1.00 41.21 H new ATOM 1009 N SER A 64 6.945 -11.688 4.372 1.00 54.35 N ATOM 1010 CA SER A 64 8.383 -11.868 4.127 1.00 62.32 C ATOM 1011 C SER A 64 9.072 -12.537 5.329 1.00 31.11 C ATOM 1012 O SER A 64 8.805 -12.188 6.478 1.00 4.12 O ATOM 1013 CB SER A 64 9.051 -10.516 3.842 1.00 44.10 C ATOM 1014 OG SER A 64 10.467 -10.635 3.797 1.00 11.41 O ATOM 0 H SER A 64 6.702 -10.790 4.790 1.00 54.35 H new ATOM 0 HA SER A 64 8.492 -12.516 3.258 1.00 62.32 H new ATOM 0 HB2 SER A 64 8.687 -10.122 2.893 1.00 44.10 H new ATOM 0 HB3 SER A 64 8.769 -9.800 4.614 1.00 44.10 H new ATOM 0 HG SER A 64 10.863 -9.758 3.612 1.00 11.41 H new ATOM 1020 N PRO A 65 9.968 -13.514 5.081 1.00 23.20 N ATOM 1021 CA PRO A 65 10.700 -14.211 6.156 1.00 12.31 C ATOM 1022 C PRO A 65 11.760 -13.313 6.827 1.00 73.23 C ATOM 1023 O PRO A 65 12.685 -12.833 6.170 1.00 54.25 O ATOM 1024 CB PRO A 65 11.361 -15.388 5.423 1.00 64.21 C ATOM 1025 CG PRO A 65 11.521 -14.914 4.017 1.00 2.01 C ATOM 1026 CD PRO A 65 10.343 -14.016 3.742 1.00 74.10 C ATOM 0 HA PRO A 65 10.043 -14.516 6.971 1.00 12.31 H new ATOM 0 HB2 PRO A 65 12.323 -15.642 5.868 1.00 64.21 H new ATOM 0 HB3 PRO A 65 10.741 -16.283 5.471 1.00 64.21 H new ATOM 0 HG2 PRO A 65 12.460 -14.374 3.892 1.00 2.01 H new ATOM 0 HG3 PRO A 65 11.541 -15.754 3.323 1.00 2.01 H new ATOM 0 HD2 PRO A 65 10.609 -13.201 3.068 1.00 74.10 H new ATOM 0 HD3 PRO A 65 9.523 -14.562 3.274 1.00 74.10 H new ATOM 1034 N VAL A 66 11.613 -13.087 8.134 1.00 55.12 N ATOM 1035 CA VAL A 66 12.544 -12.234 8.886 1.00 30.32 C ATOM 1036 C VAL A 66 13.992 -12.776 8.845 1.00 70.21 C ATOM 1037 O VAL A 66 14.254 -13.926 9.212 1.00 74.05 O ATOM 1038 CB VAL A 66 12.087 -12.061 10.360 1.00 10.33 C ATOM 1039 CG1 VAL A 66 10.756 -11.316 10.428 1.00 73.33 C ATOM 1040 CG2 VAL A 66 11.982 -13.414 11.068 1.00 11.13 C ATOM 0 H VAL A 66 10.859 -13.482 8.696 1.00 55.12 H new ATOM 0 HA VAL A 66 12.534 -11.260 8.397 1.00 30.32 H new ATOM 0 HB VAL A 66 12.842 -11.468 10.877 1.00 10.33 H new ATOM 0 HG11 VAL A 66 10.454 -11.205 11.469 1.00 73.33 H new ATOM 0 HG12 VAL A 66 10.867 -10.330 9.976 1.00 73.33 H new ATOM 0 HG13 VAL A 66 9.996 -11.880 9.887 1.00 73.33 H new ATOM 0 HG21 VAL A 66 11.660 -13.262 12.098 1.00 11.13 H new ATOM 0 HG22 VAL A 66 11.256 -14.040 10.550 1.00 11.13 H new ATOM 0 HG23 VAL A 66 12.955 -13.905 11.061 1.00 11.13 H new ATOM 1050 N PRO A 67 14.956 -11.950 8.395 1.00 51.41 N ATOM 1051 CA PRO A 67 16.353 -12.379 8.228 1.00 41.12 C ATOM 1052 C PRO A 67 17.138 -12.424 9.553 1.00 1.23 C ATOM 1053 O PRO A 67 17.714 -11.422 9.989 1.00 52.32 O ATOM 1054 CB PRO A 67 16.916 -11.316 7.277 1.00 20.31 C ATOM 1055 CG PRO A 67 16.140 -10.080 7.592 1.00 21.12 C ATOM 1056 CD PRO A 67 14.760 -10.537 8.009 1.00 23.10 C ATOM 0 HA PRO A 67 16.431 -13.399 7.851 1.00 41.12 H new ATOM 0 HB2 PRO A 67 17.984 -11.166 7.438 1.00 20.31 H new ATOM 0 HB3 PRO A 67 16.789 -11.609 6.235 1.00 20.31 H new ATOM 0 HG2 PRO A 67 16.619 -9.513 8.390 1.00 21.12 H new ATOM 0 HG3 PRO A 67 16.086 -9.424 6.724 1.00 21.12 H new ATOM 0 HD2 PRO A 67 14.377 -9.945 8.840 1.00 23.10 H new ATOM 0 HD3 PRO A 67 14.044 -10.441 7.193 1.00 23.10 H new ATOM 1064 N GLY A 68 17.138 -13.589 10.201 1.00 22.54 N ATOM 1065 CA GLY A 68 17.869 -13.766 11.457 1.00 52.44 C ATOM 1066 C GLY A 68 17.340 -12.907 12.608 1.00 63.01 C ATOM 1067 O GLY A 68 18.013 -12.743 13.629 1.00 42.24 O ATOM 0 H GLY A 68 16.643 -14.421 9.879 1.00 22.54 H new ATOM 0 HA2 GLY A 68 17.823 -14.815 11.748 1.00 52.44 H new ATOM 0 HA3 GLY A 68 18.920 -13.527 11.291 1.00 52.44 H new ATOM 1071 N ALA A 69 16.136 -12.367 12.449 1.00 31.32 N ATOM 1072 CA ALA A 69 15.531 -11.510 13.474 1.00 20.34 C ATOM 1073 C ALA A 69 14.966 -12.340 14.641 1.00 2.33 C ATOM 1074 O ALA A 69 14.367 -13.397 14.427 1.00 13.24 O ATOM 1075 CB ALA A 69 14.439 -10.644 12.853 1.00 32.22 C ATOM 0 H ALA A 69 15.556 -12.505 11.621 1.00 31.32 H new ATOM 0 HA ALA A 69 16.310 -10.864 13.878 1.00 20.34 H new ATOM 0 HB1 ALA A 69 13.995 -10.011 13.622 1.00 32.22 H new ATOM 0 HB2 ALA A 69 14.871 -10.018 12.072 1.00 32.22 H new ATOM 0 HB3 ALA A 69 13.669 -11.283 12.421 1.00 32.22 H new ATOM 1081 N PRO A 70 15.148 -11.873 15.893 1.00 11.32 N ATOM 1082 CA PRO A 70 14.669 -12.594 17.083 1.00 15.53 C ATOM 1083 C PRO A 70 13.135 -12.626 17.189 1.00 21.41 C ATOM 1084 O PRO A 70 12.512 -11.733 17.766 1.00 63.01 O ATOM 1085 CB PRO A 70 15.288 -11.811 18.251 1.00 54.12 C ATOM 1086 CG PRO A 70 15.512 -10.435 17.713 1.00 22.15 C ATOM 1087 CD PRO A 70 15.830 -10.610 16.250 1.00 43.25 C ATOM 0 HA PRO A 70 14.958 -13.645 17.061 1.00 15.53 H new ATOM 0 HB2 PRO A 70 14.622 -11.795 19.113 1.00 54.12 H new ATOM 0 HB3 PRO A 70 16.223 -12.264 18.579 1.00 54.12 H new ATOM 0 HG2 PRO A 70 14.627 -9.814 17.849 1.00 22.15 H new ATOM 0 HG3 PRO A 70 16.332 -9.940 18.234 1.00 22.15 H new ATOM 0 HD2 PRO A 70 15.460 -9.774 15.657 1.00 43.25 H new ATOM 0 HD3 PRO A 70 16.905 -10.672 16.078 1.00 43.25 H new ATOM 1095 N LYS A 71 12.532 -13.657 16.601 1.00 4.25 N ATOM 1096 CA LYS A 71 11.079 -13.850 16.651 1.00 62.31 C ATOM 1097 C LYS A 71 10.656 -14.529 17.964 1.00 71.24 C ATOM 1098 O LYS A 71 9.506 -14.422 18.391 1.00 70.34 O ATOM 1099 CB LYS A 71 10.623 -14.705 15.456 1.00 64.54 C ATOM 1100 CG LYS A 71 9.107 -14.876 15.357 1.00 24.45 C ATOM 1101 CD LYS A 71 8.714 -15.925 14.318 1.00 73.30 C ATOM 1102 CE LYS A 71 9.195 -17.319 14.713 1.00 61.13 C ATOM 1103 NZ LYS A 71 8.784 -18.353 13.725 1.00 53.50 N ATOM 0 H LYS A 71 13.030 -14.379 16.080 1.00 4.25 H new ATOM 0 HA LYS A 71 10.604 -12.870 16.602 1.00 62.31 H new ATOM 0 HB2 LYS A 71 10.988 -14.249 14.536 1.00 64.54 H new ATOM 0 HB3 LYS A 71 11.085 -15.689 15.529 1.00 64.54 H new ATOM 0 HG2 LYS A 71 8.711 -15.164 16.331 1.00 24.45 H new ATOM 0 HG3 LYS A 71 8.651 -13.921 15.098 1.00 24.45 H new ATOM 0 HD2 LYS A 71 7.630 -15.933 14.201 1.00 73.30 H new ATOM 0 HD3 LYS A 71 9.137 -15.655 13.350 1.00 73.30 H new ATOM 0 HE2 LYS A 71 10.281 -17.315 14.803 1.00 61.13 H new ATOM 0 HE3 LYS A 71 8.795 -17.576 15.694 1.00 61.13 H new ATOM 0 HZ1 LYS A 71 9.131 -19.284 14.032 1.00 53.50 H new ATOM 0 HZ2 LYS A 71 7.746 -18.375 13.657 1.00 53.50 H new ATOM 0 HZ3 LYS A 71 9.187 -18.123 12.794 1.00 53.50 H new ATOM 1117 N ALA A 72 11.596 -15.233 18.595 1.00 33.50 N ATOM 1118 CA ALA A 72 11.314 -15.992 19.819 1.00 30.34 C ATOM 1119 C ALA A 72 11.940 -15.339 21.067 1.00 75.45 C ATOM 1120 O ALA A 72 13.115 -15.559 21.370 1.00 12.34 O ATOM 1121 CB ALA A 72 11.816 -17.425 19.662 1.00 21.21 C ATOM 0 H ALA A 72 12.564 -15.295 18.279 1.00 33.50 H new ATOM 0 HA ALA A 72 10.234 -15.994 19.967 1.00 30.34 H new ATOM 0 HB1 ALA A 72 11.605 -17.986 20.572 1.00 21.21 H new ATOM 0 HB2 ALA A 72 11.311 -17.897 18.819 1.00 21.21 H new ATOM 0 HB3 ALA A 72 12.891 -17.416 19.482 1.00 21.21 H new ATOM 1127 N PRO A 73 11.167 -14.518 21.805 1.00 21.54 N ATOM 1128 CA PRO A 73 11.622 -13.938 23.075 1.00 64.33 C ATOM 1129 C PRO A 73 11.416 -14.897 24.264 1.00 2.42 C ATOM 1130 O PRO A 73 11.163 -16.088 24.078 1.00 23.25 O ATOM 1131 CB PRO A 73 10.730 -12.702 23.206 1.00 72.35 C ATOM 1132 CG PRO A 73 9.443 -13.102 22.561 1.00 52.32 C ATOM 1133 CD PRO A 73 9.801 -14.071 21.457 1.00 23.42 C ATOM 0 HA PRO A 73 12.690 -13.720 23.083 1.00 64.33 H new ATOM 0 HB2 PRO A 73 10.582 -12.427 24.250 1.00 72.35 H new ATOM 0 HB3 PRO A 73 11.172 -11.839 22.709 1.00 72.35 H new ATOM 0 HG2 PRO A 73 8.774 -13.568 23.285 1.00 52.32 H new ATOM 0 HG3 PRO A 73 8.923 -12.232 22.160 1.00 52.32 H new ATOM 0 HD2 PRO A 73 9.104 -14.908 21.419 1.00 23.42 H new ATOM 0 HD3 PRO A 73 9.775 -13.590 20.479 1.00 23.42 H new ATOM 1141 N ALA A 74 11.541 -14.373 25.484 1.00 52.02 N ATOM 1142 CA ALA A 74 11.345 -15.165 26.708 1.00 41.14 C ATOM 1143 C ALA A 74 11.396 -14.268 27.952 1.00 75.32 C ATOM 1144 O ALA A 74 11.581 -13.056 27.842 1.00 71.32 O ATOM 1145 CB ALA A 74 12.403 -16.260 26.813 1.00 34.03 C ATOM 0 H ALA A 74 11.779 -13.396 25.656 1.00 52.02 H new ATOM 0 HA ALA A 74 10.360 -15.629 26.654 1.00 41.14 H new ATOM 0 HB1 ALA A 74 12.242 -16.835 27.725 1.00 34.03 H new ATOM 0 HB2 ALA A 74 12.330 -16.921 25.949 1.00 34.03 H new ATOM 0 HB3 ALA A 74 13.394 -15.807 26.840 1.00 34.03 H new ATOM 1151 N ALA A 75 11.225 -14.863 29.128 1.00 71.11 N ATOM 1152 CA ALA A 75 11.352 -14.123 30.389 1.00 21.45 C ATOM 1153 C ALA A 75 12.834 -13.866 30.742 1.00 62.10 C ATOM 1154 O ALA A 75 13.405 -14.628 31.554 1.00 37.28 O ATOM 1155 CB ALA A 75 10.649 -14.884 31.510 1.00 24.25 C ATOM 1156 OXT ALA A 75 13.428 -12.912 30.184 1.00 37.28 O ATOM 0 H ALA A 75 10.999 -15.851 29.239 1.00 71.11 H new ATOM 0 HA ALA A 75 10.873 -13.151 30.269 1.00 21.45 H new ATOM 0 HB1 ALA A 75 10.747 -14.329 32.443 1.00 24.25 H new ATOM 0 HB2 ALA A 75 9.593 -14.999 31.265 1.00 24.25 H new ATOM 0 HB3 ALA A 75 11.104 -15.868 31.623 1.00 24.25 H new TER 1162 ALA A 75