USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 642 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+ -119:sc= -0.0133 (180deg=-0.117) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.537 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-0.47) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -3.58! C(o=-3.6!,f=-2.7!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0562 USER MOD Single : A 38 THR OG1 : rot -150:sc= -3.76! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 164:sc= -0.946 (180deg=-1.46) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.975 K(o=-0.98,f=-3.7!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.126 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.23) USER MOD Single : A 57 TYR OH : rot -145:sc= -0.0492 USER MOD Single : A 59 GLN : amide:sc= -0.798 K(o=-0.8,f=-1.8!) USER MOD Single : A 60 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.0435) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot -171:sc= 0.275 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.693 16.309 -10.968 1.00 0.00 N ATOM 2 CA MET A 1 -1.396 15.833 -11.530 1.00 0.00 C ATOM 3 C MET A 1 -0.295 15.926 -10.469 1.00 0.00 C ATOM 4 O MET A 1 0.398 14.963 -10.198 1.00 0.00 O ATOM 5 CB MET A 1 -1.099 16.776 -12.695 1.00 0.00 C ATOM 6 CG MET A 1 -1.866 16.313 -13.934 1.00 0.00 C ATOM 7 SD MET A 1 -1.040 14.870 -14.651 1.00 0.00 S ATOM 8 CE MET A 1 -2.288 14.495 -15.906 1.00 0.00 C ATOM 0 H1 MET A 1 -3.388 15.536 -10.996 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.554 16.614 -9.984 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.043 17.109 -11.532 1.00 0.00 H new ATOM 0 HA MET A 1 -1.441 14.792 -11.850 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.388 17.794 -12.435 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.029 16.791 -12.901 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.893 16.062 -13.667 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.915 17.119 -14.667 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.977 13.621 -16.479 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.242 14.290 -15.420 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.398 15.348 -16.576 1.00 0.00 H new ATOM 20 N LYS A 2 -0.133 17.078 -9.870 1.00 0.00 N ATOM 21 CA LYS A 2 0.920 17.243 -8.825 1.00 0.00 C ATOM 22 C LYS A 2 0.300 17.155 -7.427 1.00 0.00 C ATOM 23 O LYS A 2 -0.693 17.798 -7.139 1.00 0.00 O ATOM 24 CB LYS A 2 1.502 18.638 -9.067 1.00 0.00 C ATOM 25 CG LYS A 2 2.415 18.605 -10.294 1.00 0.00 C ATOM 26 CD LYS A 2 3.114 19.957 -10.447 1.00 0.00 C ATOM 27 CE LYS A 2 4.121 19.884 -11.598 1.00 0.00 C ATOM 28 NZ LYS A 2 4.829 21.194 -11.572 1.00 0.00 N ATOM 0 H LYS A 2 -0.687 17.913 -10.061 1.00 0.00 H new ATOM 0 HA LYS A 2 1.683 16.466 -8.882 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.698 19.358 -9.218 1.00 0.00 H new ATOM 0 HB3 LYS A 2 2.063 18.966 -8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.155 17.811 -10.189 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.833 18.382 -11.188 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.379 20.738 -10.642 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.623 20.222 -9.520 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.817 19.056 -11.462 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.619 19.725 -12.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.537 21.221 -12.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.142 21.963 -11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.303 21.314 -10.654 1.00 0.00 H new ATOM 42 N LYS A 3 0.877 16.361 -6.562 1.00 0.00 N ATOM 43 CA LYS A 3 0.326 16.223 -5.178 1.00 0.00 C ATOM 44 C LYS A 3 0.493 17.538 -4.408 1.00 0.00 C ATOM 45 O LYS A 3 1.422 17.709 -3.642 1.00 0.00 O ATOM 46 CB LYS A 3 1.141 15.101 -4.521 1.00 0.00 C ATOM 47 CG LYS A 3 2.641 15.440 -4.556 1.00 0.00 C ATOM 48 CD LYS A 3 3.430 14.259 -5.128 1.00 0.00 C ATOM 49 CE LYS A 3 3.506 13.141 -4.085 1.00 0.00 C ATOM 50 NZ LYS A 3 4.047 11.966 -4.822 1.00 0.00 N ATOM 0 H LYS A 3 1.708 15.801 -6.754 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.739 15.992 -5.184 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.816 14.963 -3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.962 14.160 -5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.808 16.329 -5.165 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.994 15.671 -3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.949 13.892 -6.035 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.434 14.580 -5.406 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.155 13.419 -3.254 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.524 12.926 -3.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.129 11.157 -4.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.405 11.720 -5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.985 12.199 -5.205 1.00 0.00 H new ATOM 64 N ASP A 4 -0.410 18.470 -4.608 1.00 0.00 N ATOM 65 CA ASP A 4 -0.327 19.790 -3.897 1.00 0.00 C ATOM 66 C ASP A 4 1.041 20.452 -4.143 1.00 0.00 C ATOM 67 O ASP A 4 1.898 19.867 -4.776 1.00 0.00 O ATOM 68 CB ASP A 4 -0.512 19.467 -2.406 1.00 0.00 C ATOM 69 CG ASP A 4 -1.879 19.970 -1.931 1.00 0.00 C ATOM 70 OD1 ASP A 4 -2.869 19.587 -2.530 1.00 0.00 O ATOM 71 OD2 ASP A 4 -1.909 20.728 -0.975 1.00 0.00 O ATOM 0 H ASP A 4 -1.207 18.373 -5.237 1.00 0.00 H new ATOM 0 HA ASP A 4 -1.083 20.489 -4.254 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -0.434 18.392 -2.245 1.00 0.00 H new ATOM 0 HB3 ASP A 4 0.281 19.935 -1.822 1.00 0.00 H new ATOM 76 N PRO A 5 1.209 21.656 -3.638 1.00 0.00 N ATOM 77 CA PRO A 5 2.494 22.374 -3.825 1.00 0.00 C ATOM 78 C PRO A 5 3.585 21.745 -2.957 1.00 0.00 C ATOM 79 O PRO A 5 3.770 22.110 -1.812 1.00 0.00 O ATOM 80 CB PRO A 5 2.187 23.796 -3.365 1.00 0.00 C ATOM 81 CG PRO A 5 1.038 23.658 -2.419 1.00 0.00 C ATOM 82 CD PRO A 5 0.245 22.455 -2.860 1.00 0.00 C ATOM 0 HA PRO A 5 2.859 22.336 -4.851 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.050 24.247 -2.875 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.929 24.436 -4.208 1.00 0.00 H new ATOM 0 HG2 PRO A 5 1.394 23.531 -1.396 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.418 24.554 -2.432 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.140 21.896 -2.007 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.614 22.744 -3.465 1.00 0.00 H new ATOM 90 N ASN A 6 4.313 20.798 -3.498 1.00 0.00 N ATOM 91 CA ASN A 6 5.409 20.126 -2.724 1.00 0.00 C ATOM 92 C ASN A 6 4.891 19.612 -1.374 1.00 0.00 C ATOM 93 O ASN A 6 5.639 19.484 -0.424 1.00 0.00 O ATOM 94 CB ASN A 6 6.473 21.205 -2.517 1.00 0.00 C ATOM 95 CG ASN A 6 7.482 21.156 -3.665 1.00 0.00 C ATOM 96 OD1 ASN A 6 8.346 20.301 -3.693 1.00 0.00 O ATOM 97 ND2 ASN A 6 7.409 22.043 -4.619 1.00 0.00 N ATOM 0 H ASN A 6 4.195 20.457 -4.452 1.00 0.00 H new ATOM 0 HA ASN A 6 5.804 19.259 -3.253 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.005 22.188 -2.473 1.00 0.00 H new ATOM 0 HB3 ASN A 6 6.982 21.051 -1.565 1.00 0.00 H new ATOM 0 HD21 ASN A 6 8.077 22.020 -5.389 1.00 0.00 H new ATOM 0 HD22 ASN A 6 6.684 22.760 -4.595 1.00 0.00 H new ATOM 104 N ALA A 7 3.618 19.317 -1.289 1.00 0.00 N ATOM 105 CA ALA A 7 3.048 18.810 -0.005 1.00 0.00 C ATOM 106 C ALA A 7 2.785 17.299 -0.102 1.00 0.00 C ATOM 107 O ALA A 7 2.549 16.786 -1.178 1.00 0.00 O ATOM 108 CB ALA A 7 1.734 19.569 0.181 1.00 0.00 C ATOM 0 H ALA A 7 2.949 19.406 -2.054 1.00 0.00 H new ATOM 0 HA ALA A 7 3.727 18.964 0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.256 19.248 1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.936 20.639 0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.072 19.361 -0.660 1.00 0.00 H new ATOM 114 N PRO A 8 2.829 16.625 1.028 1.00 0.00 N ATOM 115 CA PRO A 8 2.587 15.174 1.049 1.00 0.00 C ATOM 116 C PRO A 8 1.091 14.851 1.085 1.00 0.00 C ATOM 117 O PRO A 8 0.411 15.130 2.053 1.00 0.00 O ATOM 118 CB PRO A 8 3.287 14.701 2.304 1.00 0.00 C ATOM 119 CG PRO A 8 3.407 15.894 3.180 1.00 0.00 C ATOM 120 CD PRO A 8 3.099 17.133 2.372 1.00 0.00 C ATOM 0 HA PRO A 8 2.961 14.680 0.153 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.717 13.912 2.795 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.268 14.288 2.071 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.719 15.813 4.022 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.413 15.956 3.595 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.240 17.669 2.776 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.938 17.829 2.374 1.00 0.00 H new ATOM 128 N LYS A 9 0.577 14.257 0.038 1.00 0.00 N ATOM 129 CA LYS A 9 -0.876 13.904 0.002 1.00 0.00 C ATOM 130 C LYS A 9 -1.085 12.502 0.575 1.00 0.00 C ATOM 131 O LYS A 9 -0.162 11.888 1.072 1.00 0.00 O ATOM 132 CB LYS A 9 -1.257 13.941 -1.477 1.00 0.00 C ATOM 133 CG LYS A 9 -1.390 15.394 -1.936 1.00 0.00 C ATOM 134 CD LYS A 9 -2.174 15.446 -3.248 1.00 0.00 C ATOM 135 CE LYS A 9 -3.668 15.289 -2.956 1.00 0.00 C ATOM 136 NZ LYS A 9 -4.355 15.949 -4.102 1.00 0.00 N ATOM 0 H LYS A 9 1.103 14.000 -0.797 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.485 14.587 0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.500 13.429 -2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.197 13.412 -1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.899 15.982 -1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.403 15.835 -2.073 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.989 16.392 -3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.838 14.653 -3.917 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.947 14.238 -2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.937 15.759 -2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.385 15.883 -3.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.075 16.950 -4.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.085 15.476 -4.988 1.00 0.00 H new ATOM 150 N ARG A 10 -2.301 12.006 0.526 1.00 0.00 N ATOM 151 CA ARG A 10 -2.620 10.639 1.077 1.00 0.00 C ATOM 152 C ARG A 10 -1.524 9.605 0.729 1.00 0.00 C ATOM 153 O ARG A 10 -1.285 9.338 -0.432 1.00 0.00 O ATOM 154 CB ARG A 10 -3.936 10.248 0.402 1.00 0.00 C ATOM 155 CG ARG A 10 -5.089 11.022 1.045 1.00 0.00 C ATOM 156 CD ARG A 10 -6.420 10.382 0.647 1.00 0.00 C ATOM 157 NE ARG A 10 -6.633 9.285 1.633 1.00 0.00 N ATOM 158 CZ ARG A 10 -7.451 8.307 1.354 1.00 0.00 C ATOM 159 NH1 ARG A 10 -7.026 7.274 0.679 1.00 0.00 N ATOM 160 NH2 ARG A 10 -8.693 8.363 1.750 1.00 0.00 N ATOM 0 H ARG A 10 -3.100 12.495 0.122 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.683 10.658 2.165 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.888 10.465 -0.665 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.104 9.176 0.502 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.982 11.019 2.130 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.064 12.064 0.725 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.233 11.108 0.683 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.383 9.995 -0.371 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.140 9.298 2.526 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.055 7.231 0.370 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.665 6.509 0.461 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.024 9.171 2.277 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.333 7.599 1.532 1.00 0.00 H new ATOM 174 N PRO A 11 -0.878 9.060 1.746 1.00 0.00 N ATOM 175 CA PRO A 11 0.199 8.068 1.503 1.00 0.00 C ATOM 176 C PRO A 11 -0.388 6.707 1.090 1.00 0.00 C ATOM 177 O PRO A 11 -1.586 6.514 1.143 1.00 0.00 O ATOM 178 CB PRO A 11 0.902 7.959 2.853 1.00 0.00 C ATOM 179 CG PRO A 11 -0.123 8.359 3.863 1.00 0.00 C ATOM 180 CD PRO A 11 -1.079 9.305 3.185 1.00 0.00 C ATOM 0 HA PRO A 11 0.868 8.366 0.696 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.255 6.944 3.032 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.774 8.612 2.897 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.652 7.484 4.240 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.350 8.840 4.720 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.109 9.109 3.481 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.864 10.341 3.445 1.00 0.00 H new ATOM 188 N PRO A 12 0.481 5.800 0.692 1.00 0.00 N ATOM 189 CA PRO A 12 0.025 4.448 0.274 1.00 0.00 C ATOM 190 C PRO A 12 -0.463 3.644 1.488 1.00 0.00 C ATOM 191 O PRO A 12 -0.757 4.199 2.529 1.00 0.00 O ATOM 192 CB PRO A 12 1.277 3.822 -0.338 1.00 0.00 C ATOM 193 CG PRO A 12 2.422 4.543 0.294 1.00 0.00 C ATOM 194 CD PRO A 12 1.945 5.936 0.593 1.00 0.00 C ATOM 0 HA PRO A 12 -0.813 4.473 -0.422 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.323 2.752 -0.133 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.287 3.940 -1.422 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.740 4.039 1.207 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.282 4.564 -0.375 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.374 6.314 1.521 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.228 6.633 -0.196 1.00 0.00 H new ATOM 202 N SER A 13 -0.548 2.337 1.362 1.00 0.00 N ATOM 203 CA SER A 13 -1.015 1.494 2.508 1.00 0.00 C ATOM 204 C SER A 13 -0.848 0.005 2.195 1.00 0.00 C ATOM 205 O SER A 13 -1.772 -0.771 2.347 1.00 0.00 O ATOM 206 CB SER A 13 -2.497 1.839 2.685 1.00 0.00 C ATOM 207 OG SER A 13 -3.158 1.723 1.432 1.00 0.00 O ATOM 0 H SER A 13 -0.314 1.820 0.514 1.00 0.00 H new ATOM 0 HA SER A 13 -0.437 1.689 3.411 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.954 1.169 3.414 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.603 2.852 3.073 1.00 0.00 H new ATOM 0 HG SER A 13 -4.107 1.941 1.541 1.00 0.00 H new ATOM 213 N ALA A 14 0.314 -0.400 1.727 1.00 0.00 N ATOM 214 CA ALA A 14 0.553 -1.841 1.363 1.00 0.00 C ATOM 215 C ALA A 14 -0.247 -2.178 0.111 1.00 0.00 C ATOM 216 O ALA A 14 0.310 -2.330 -0.960 1.00 0.00 O ATOM 217 CB ALA A 14 0.108 -2.708 2.555 1.00 0.00 C ATOM 0 H ALA A 14 1.116 0.213 1.580 1.00 0.00 H new ATOM 0 HA ALA A 14 1.606 -2.028 1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.270 -3.760 2.320 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.689 -2.440 3.437 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.950 -2.539 2.753 1.00 0.00 H new ATOM 223 N PHE A 15 -1.547 -2.290 0.227 1.00 0.00 N ATOM 224 CA PHE A 15 -2.378 -2.612 -0.976 1.00 0.00 C ATOM 225 C PHE A 15 -2.171 -1.548 -2.062 1.00 0.00 C ATOM 226 O PHE A 15 -2.353 -1.808 -3.237 1.00 0.00 O ATOM 227 CB PHE A 15 -3.831 -2.603 -0.485 1.00 0.00 C ATOM 228 CG PHE A 15 -4.754 -2.967 -1.626 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.551 -4.152 -2.344 1.00 0.00 C ATOM 230 CD2 PHE A 15 -5.813 -2.115 -1.968 1.00 0.00 C ATOM 231 CE1 PHE A 15 -5.403 -4.486 -3.402 1.00 0.00 C ATOM 232 CE2 PHE A 15 -6.664 -2.449 -3.028 1.00 0.00 C ATOM 233 CZ PHE A 15 -6.460 -3.635 -3.744 1.00 0.00 C ATOM 0 H PHE A 15 -2.067 -2.173 1.097 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.107 -3.573 -1.413 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.953 -3.311 0.335 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.088 -1.618 -0.096 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.735 -4.809 -2.081 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.972 -1.202 -1.414 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.245 -5.400 -3.955 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.479 -1.792 -3.294 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.118 -3.893 -4.560 1.00 0.00 H new ATOM 243 N PHE A 16 -1.788 -0.355 -1.674 1.00 0.00 N ATOM 244 CA PHE A 16 -1.565 0.721 -2.682 1.00 0.00 C ATOM 245 C PHE A 16 -0.289 0.441 -3.469 1.00 0.00 C ATOM 246 O PHE A 16 -0.218 0.713 -4.651 1.00 0.00 O ATOM 247 CB PHE A 16 -1.442 2.019 -1.881 1.00 0.00 C ATOM 248 CG PHE A 16 -1.881 3.182 -2.737 1.00 0.00 C ATOM 249 CD1 PHE A 16 -1.007 3.717 -3.693 1.00 0.00 C ATOM 250 CD2 PHE A 16 -3.160 3.728 -2.575 1.00 0.00 C ATOM 251 CE1 PHE A 16 -1.413 4.797 -4.486 1.00 0.00 C ATOM 252 CE2 PHE A 16 -3.566 4.808 -3.369 1.00 0.00 C ATOM 253 CZ PHE A 16 -2.694 5.342 -4.324 1.00 0.00 C ATOM 0 H PHE A 16 -1.621 -0.084 -0.705 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.378 0.781 -3.406 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.056 1.963 -0.982 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.412 2.162 -1.555 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.020 3.296 -3.818 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.833 3.316 -1.838 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.739 5.210 -5.222 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.553 5.229 -3.244 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.008 6.174 -4.936 1.00 0.00 H new ATOM 263 N LEU A 17 0.706 -0.140 -2.838 1.00 0.00 N ATOM 264 CA LEU A 17 1.960 -0.478 -3.582 1.00 0.00 C ATOM 265 C LEU A 17 1.587 -1.494 -4.667 1.00 0.00 C ATOM 266 O LEU A 17 1.493 -1.154 -5.828 1.00 0.00 O ATOM 267 CB LEU A 17 2.907 -1.092 -2.540 1.00 0.00 C ATOM 268 CG LEU A 17 3.666 0.007 -1.780 1.00 0.00 C ATOM 269 CD1 LEU A 17 4.508 0.831 -2.754 1.00 0.00 C ATOM 270 CD2 LEU A 17 2.672 0.924 -1.065 1.00 0.00 C ATOM 0 H LEU A 17 0.703 -0.392 -1.850 1.00 0.00 H new ATOM 0 HA LEU A 17 2.435 0.378 -4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.337 -1.700 -1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.617 -1.756 -3.033 1.00 0.00 H new ATOM 0 HG LEU A 17 4.321 -0.461 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.042 1.607 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.226 0.181 -3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.857 1.293 -3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.216 1.701 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.010 1.385 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.081 0.340 -0.359 1.00 0.00 H new ATOM 282 N PHE A 18 1.376 -2.738 -4.272 1.00 0.00 N ATOM 283 CA PHE A 18 0.988 -3.833 -5.236 1.00 0.00 C ATOM 284 C PHE A 18 0.091 -3.288 -6.369 1.00 0.00 C ATOM 285 O PHE A 18 0.396 -3.449 -7.535 1.00 0.00 O ATOM 286 CB PHE A 18 0.228 -4.848 -4.370 1.00 0.00 C ATOM 287 CG PHE A 18 -0.302 -5.983 -5.222 1.00 0.00 C ATOM 288 CD1 PHE A 18 0.561 -6.996 -5.658 1.00 0.00 C ATOM 289 CD2 PHE A 18 -1.658 -6.021 -5.567 1.00 0.00 C ATOM 290 CE1 PHE A 18 0.066 -8.047 -6.442 1.00 0.00 C ATOM 291 CE2 PHE A 18 -2.153 -7.072 -6.349 1.00 0.00 C ATOM 292 CZ PHE A 18 -1.292 -8.084 -6.787 1.00 0.00 C ATOM 0 H PHE A 18 1.458 -3.045 -3.303 1.00 0.00 H new ATOM 0 HA PHE A 18 1.853 -4.274 -5.731 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.889 -5.243 -3.598 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.598 -4.353 -3.860 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.607 -6.967 -5.390 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.323 -5.239 -5.230 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.731 -8.828 -6.780 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.200 -7.101 -6.614 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.674 -8.894 -7.391 1.00 0.00 H new ATOM 302 N CYS A 19 -1.009 -2.653 -6.037 1.00 0.00 N ATOM 303 CA CYS A 19 -1.901 -2.111 -7.107 1.00 0.00 C ATOM 304 C CYS A 19 -1.194 -1.004 -7.896 1.00 0.00 C ATOM 305 O CYS A 19 -1.300 -0.933 -9.106 1.00 0.00 O ATOM 306 CB CYS A 19 -3.125 -1.554 -6.376 1.00 0.00 C ATOM 307 SG CYS A 19 -4.357 -1.007 -7.585 1.00 0.00 S ATOM 0 H CYS A 19 -1.324 -2.489 -5.081 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.176 -2.881 -7.828 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.552 -2.318 -5.727 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.832 -0.720 -5.738 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.397 -0.536 -6.962 1.00 0.00 H new ATOM 313 N SER A 20 -0.482 -0.135 -7.222 1.00 0.00 N ATOM 314 CA SER A 20 0.223 0.979 -7.936 1.00 0.00 C ATOM 315 C SER A 20 1.167 0.429 -9.012 1.00 0.00 C ATOM 316 O SER A 20 1.390 1.064 -10.026 1.00 0.00 O ATOM 317 CB SER A 20 1.019 1.722 -6.862 1.00 0.00 C ATOM 318 OG SER A 20 1.868 2.676 -7.484 1.00 0.00 O ATOM 0 H SER A 20 -0.357 -0.147 -6.210 1.00 0.00 H new ATOM 0 HA SER A 20 -0.485 1.634 -8.443 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.341 2.219 -6.169 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.611 1.017 -6.278 1.00 0.00 H new ATOM 0 HG SER A 20 2.379 3.155 -6.799 1.00 0.00 H new ATOM 324 N GLU A 21 1.731 -0.737 -8.798 1.00 0.00 N ATOM 325 CA GLU A 21 2.668 -1.305 -9.816 1.00 0.00 C ATOM 326 C GLU A 21 1.919 -2.180 -10.831 1.00 0.00 C ATOM 327 O GLU A 21 2.350 -2.314 -11.962 1.00 0.00 O ATOM 328 CB GLU A 21 3.697 -2.125 -9.027 1.00 0.00 C ATOM 329 CG GLU A 21 3.004 -3.248 -8.255 1.00 0.00 C ATOM 330 CD GLU A 21 4.034 -4.311 -7.866 1.00 0.00 C ATOM 331 OE1 GLU A 21 4.924 -4.563 -8.661 1.00 0.00 O ATOM 332 OE2 GLU A 21 3.913 -4.855 -6.781 1.00 0.00 O ATOM 0 H GLU A 21 1.584 -1.314 -7.970 1.00 0.00 H new ATOM 0 HA GLU A 21 3.150 -0.518 -10.396 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.436 -2.546 -9.709 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.234 -1.477 -8.335 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.524 -2.847 -7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.219 -3.693 -8.866 1.00 0.00 H new ATOM 339 N HIS A 22 0.806 -2.775 -10.457 1.00 0.00 N ATOM 340 CA HIS A 22 0.051 -3.630 -11.427 1.00 0.00 C ATOM 341 C HIS A 22 -1.143 -2.865 -12.015 1.00 0.00 C ATOM 342 O HIS A 22 -2.049 -3.457 -12.571 1.00 0.00 O ATOM 343 CB HIS A 22 -0.455 -4.815 -10.602 1.00 0.00 C ATOM 344 CG HIS A 22 0.696 -5.695 -10.200 1.00 0.00 C ATOM 345 ND1 HIS A 22 1.427 -6.425 -11.123 1.00 0.00 N ATOM 346 CD2 HIS A 22 1.244 -5.982 -8.976 1.00 0.00 C ATOM 347 CE1 HIS A 22 2.364 -7.112 -10.446 1.00 0.00 C ATOM 348 NE2 HIS A 22 2.298 -6.877 -9.132 1.00 0.00 N ATOM 0 H HIS A 22 0.392 -2.704 -9.527 1.00 0.00 H new ATOM 0 HA HIS A 22 0.679 -3.937 -12.263 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -0.974 -4.454 -9.714 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.177 -5.390 -11.182 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.908 -5.575 -8.034 1.00 0.00 H new ATOM 0 HE1 HIS A 22 3.082 -7.773 -10.908 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.892 -7.269 -8.401 1.00 0.00 H new ATOM 356 N ARG A 23 -1.154 -1.559 -11.899 1.00 0.00 N ATOM 357 CA ARG A 23 -2.290 -0.763 -12.451 1.00 0.00 C ATOM 358 C ARG A 23 -2.136 -0.536 -13.969 1.00 0.00 C ATOM 359 O ARG A 23 -3.098 -0.702 -14.695 1.00 0.00 O ATOM 360 CB ARG A 23 -2.269 0.563 -11.684 1.00 0.00 C ATOM 361 CG ARG A 23 -3.464 1.420 -12.110 1.00 0.00 C ATOM 362 CD ARG A 23 -4.647 1.147 -11.178 1.00 0.00 C ATOM 363 NE ARG A 23 -4.504 2.138 -10.077 1.00 0.00 N ATOM 364 CZ ARG A 23 -5.002 3.338 -10.210 1.00 0.00 C ATOM 365 NH1 ARG A 23 -6.288 3.526 -10.096 1.00 0.00 N ATOM 366 NH2 ARG A 23 -4.214 4.348 -10.457 1.00 0.00 N ATOM 0 H ARG A 23 -0.423 -1.011 -11.445 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.240 -1.284 -12.328 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.307 0.375 -10.611 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.338 1.095 -11.882 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.198 2.476 -12.077 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.739 1.193 -13.140 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.597 1.269 -11.699 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.622 0.126 -10.796 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.017 1.880 -9.219 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.904 2.736 -9.903 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.678 4.463 -10.200 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.209 4.201 -10.546 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.603 5.285 -10.561 1.00 0.00 H new ATOM 380 N PRO A 24 -0.949 -0.168 -14.427 1.00 0.00 N ATOM 381 CA PRO A 24 -0.762 0.058 -15.883 1.00 0.00 C ATOM 382 C PRO A 24 -0.695 -1.277 -16.645 1.00 0.00 C ATOM 383 O PRO A 24 -0.644 -1.295 -17.860 1.00 0.00 O ATOM 384 CB PRO A 24 0.571 0.793 -15.971 1.00 0.00 C ATOM 385 CG PRO A 24 1.317 0.403 -14.737 1.00 0.00 C ATOM 386 CD PRO A 24 0.299 0.070 -13.676 1.00 0.00 C ATOM 0 HA PRO A 24 -1.585 0.617 -16.327 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.119 0.508 -16.869 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.423 1.872 -16.017 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.960 -0.455 -14.933 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.963 1.217 -14.406 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.593 -0.811 -13.105 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.185 0.888 -12.964 1.00 0.00 H new ATOM 394 N LYS A 25 -0.695 -2.390 -15.945 1.00 0.00 N ATOM 395 CA LYS A 25 -0.632 -3.712 -16.638 1.00 0.00 C ATOM 396 C LYS A 25 -2.044 -4.223 -16.937 1.00 0.00 C ATOM 397 O LYS A 25 -2.300 -4.779 -17.988 1.00 0.00 O ATOM 398 CB LYS A 25 0.075 -4.640 -15.648 1.00 0.00 C ATOM 399 CG LYS A 25 0.604 -5.870 -16.389 1.00 0.00 C ATOM 400 CD LYS A 25 1.767 -6.478 -15.602 1.00 0.00 C ATOM 401 CE LYS A 25 2.177 -7.806 -16.241 1.00 0.00 C ATOM 402 NZ LYS A 25 3.565 -8.050 -15.759 1.00 0.00 N ATOM 0 H LYS A 25 -0.736 -2.436 -14.927 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.108 -3.654 -17.592 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.897 -4.113 -15.163 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.616 -4.945 -14.862 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.192 -6.605 -16.509 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.934 -5.591 -17.390 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.613 -5.790 -15.593 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.474 -6.637 -14.564 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.507 -8.612 -15.942 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.141 -7.749 -17.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.918 -8.945 -16.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.181 -7.270 -16.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.567 -8.106 -14.721 1.00 0.00 H new ATOM 416 N ILE A 26 -2.961 -4.034 -16.020 1.00 0.00 N ATOM 417 CA ILE A 26 -4.361 -4.504 -16.247 1.00 0.00 C ATOM 418 C ILE A 26 -5.055 -3.629 -17.299 1.00 0.00 C ATOM 419 O ILE A 26 -5.994 -4.053 -17.937 1.00 0.00 O ATOM 420 CB ILE A 26 -5.060 -4.380 -14.887 1.00 0.00 C ATOM 421 CG1 ILE A 26 -4.326 -5.242 -13.845 1.00 0.00 C ATOM 422 CG2 ILE A 26 -6.517 -4.846 -15.009 1.00 0.00 C ATOM 423 CD1 ILE A 26 -4.340 -6.719 -14.265 1.00 0.00 C ATOM 0 H ILE A 26 -2.799 -3.574 -15.124 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.392 -5.527 -16.621 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.041 -3.338 -14.568 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.297 -4.898 -13.739 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.802 -5.130 -12.871 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.010 -4.756 -14.041 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.037 -4.227 -15.740 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.540 -5.886 -15.333 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.817 -7.315 -13.517 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.371 -7.064 -14.348 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.843 -6.828 -15.229 1.00 0.00 H new ATOM 435 N LYS A 27 -4.583 -2.423 -17.498 1.00 0.00 N ATOM 436 CA LYS A 27 -5.202 -1.529 -18.527 1.00 0.00 C ATOM 437 C LYS A 27 -4.699 -1.897 -19.931 1.00 0.00 C ATOM 438 O LYS A 27 -5.311 -1.548 -20.923 1.00 0.00 O ATOM 439 CB LYS A 27 -4.753 -0.118 -18.147 1.00 0.00 C ATOM 440 CG LYS A 27 -5.626 0.404 -17.004 1.00 0.00 C ATOM 441 CD LYS A 27 -5.587 1.932 -16.988 1.00 0.00 C ATOM 442 CE LYS A 27 -6.937 2.473 -16.511 1.00 0.00 C ATOM 443 NZ LYS A 27 -7.710 2.731 -17.756 1.00 0.00 N ATOM 0 H LYS A 27 -3.795 -2.018 -16.992 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.288 -1.620 -18.550 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.706 -0.127 -17.844 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.830 0.544 -19.009 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.652 0.057 -17.129 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.270 0.011 -16.052 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.791 2.279 -16.329 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.363 2.311 -17.985 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.447 1.753 -15.872 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.813 3.385 -15.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.649 3.104 -17.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.204 3.425 -18.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.818 1.844 -18.287 1.00 0.00 H new ATOM 457 N SER A 28 -3.594 -2.603 -20.024 1.00 0.00 N ATOM 458 CA SER A 28 -3.063 -2.996 -21.367 1.00 0.00 C ATOM 459 C SER A 28 -3.902 -4.141 -21.942 1.00 0.00 C ATOM 460 O SER A 28 -4.323 -4.104 -23.082 1.00 0.00 O ATOM 461 CB SER A 28 -1.627 -3.457 -21.113 1.00 0.00 C ATOM 462 OG SER A 28 -0.902 -3.425 -22.335 1.00 0.00 O ATOM 0 H SER A 28 -3.040 -2.922 -19.229 1.00 0.00 H new ATOM 0 HA SER A 28 -3.101 -2.176 -22.084 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.150 -2.811 -20.376 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.624 -4.466 -20.701 1.00 0.00 H new ATOM 0 HG SER A 28 0.020 -3.718 -22.176 1.00 0.00 H new ATOM 468 N GLU A 29 -4.155 -5.152 -21.148 1.00 0.00 N ATOM 469 CA GLU A 29 -4.979 -6.304 -21.627 1.00 0.00 C ATOM 470 C GLU A 29 -6.480 -6.019 -21.438 1.00 0.00 C ATOM 471 O GLU A 29 -7.311 -6.880 -21.654 1.00 0.00 O ATOM 472 CB GLU A 29 -4.545 -7.484 -20.757 1.00 0.00 C ATOM 473 CG GLU A 29 -3.086 -7.833 -21.061 1.00 0.00 C ATOM 474 CD GLU A 29 -2.765 -9.220 -20.501 1.00 0.00 C ATOM 475 OE1 GLU A 29 -3.334 -10.181 -20.992 1.00 0.00 O ATOM 476 OE2 GLU A 29 -1.955 -9.298 -19.592 1.00 0.00 O ATOM 0 H GLU A 29 -3.825 -5.229 -20.186 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.832 -6.497 -22.690 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.658 -7.233 -19.702 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.184 -8.346 -20.950 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.913 -7.815 -22.137 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.423 -7.089 -20.619 1.00 0.00 H new ATOM 483 N HIS A 30 -6.833 -4.813 -21.055 1.00 0.00 N ATOM 484 CA HIS A 30 -8.273 -4.458 -20.872 1.00 0.00 C ATOM 485 C HIS A 30 -8.441 -2.946 -21.073 1.00 0.00 C ATOM 486 O HIS A 30 -8.482 -2.199 -20.117 1.00 0.00 O ATOM 487 CB HIS A 30 -8.643 -4.842 -19.434 1.00 0.00 C ATOM 488 CG HIS A 30 -8.457 -6.319 -19.219 1.00 0.00 C ATOM 489 ND1 HIS A 30 -9.487 -7.229 -19.394 1.00 0.00 N ATOM 490 CD2 HIS A 30 -7.370 -7.053 -18.823 1.00 0.00 C ATOM 491 CE1 HIS A 30 -9.001 -8.451 -19.103 1.00 0.00 C ATOM 492 NE2 HIS A 30 -7.713 -8.399 -18.750 1.00 0.00 N ATOM 0 H HIS A 30 -6.178 -4.056 -20.861 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.913 -4.977 -21.586 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.023 -4.285 -18.732 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.678 -4.567 -19.233 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.394 -6.648 -18.601 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.581 -9.361 -19.149 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.111 -9.178 -18.484 1.00 0.00 H new ATOM 500 N PRO A 31 -8.527 -2.533 -22.314 1.00 0.00 N ATOM 501 CA PRO A 31 -8.686 -1.088 -22.612 1.00 0.00 C ATOM 502 C PRO A 31 -10.042 -0.596 -22.104 1.00 0.00 C ATOM 503 O PRO A 31 -11.080 -0.946 -22.635 1.00 0.00 O ATOM 504 CB PRO A 31 -8.598 -1.024 -24.137 1.00 0.00 C ATOM 505 CG PRO A 31 -8.990 -2.392 -24.595 1.00 0.00 C ATOM 506 CD PRO A 31 -8.492 -3.343 -23.540 1.00 0.00 C ATOM 0 HA PRO A 31 -7.939 -0.457 -22.131 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.267 -0.264 -24.541 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.590 -0.769 -24.466 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.071 -2.470 -24.711 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.548 -2.620 -25.565 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.129 -4.224 -23.459 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.485 -3.697 -23.760 1.00 0.00 H new ATOM 514 N GLY A 32 -10.036 0.201 -21.067 1.00 0.00 N ATOM 515 CA GLY A 32 -11.317 0.712 -20.497 1.00 0.00 C ATOM 516 C GLY A 32 -11.509 0.154 -19.080 1.00 0.00 C ATOM 517 O GLY A 32 -12.277 0.684 -18.301 1.00 0.00 O ATOM 0 H GLY A 32 -9.194 0.521 -20.588 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.306 1.802 -20.471 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.153 0.416 -21.131 1.00 0.00 H new ATOM 521 N LEU A 33 -10.829 -0.924 -18.748 1.00 0.00 N ATOM 522 CA LEU A 33 -10.966 -1.549 -17.386 1.00 0.00 C ATOM 523 C LEU A 33 -10.933 -0.498 -16.267 1.00 0.00 C ATOM 524 O LEU A 33 -9.963 0.214 -16.090 1.00 0.00 O ATOM 525 CB LEU A 33 -9.761 -2.490 -17.267 1.00 0.00 C ATOM 526 CG LEU A 33 -10.095 -3.705 -16.389 1.00 0.00 C ATOM 527 CD1 LEU A 33 -10.455 -3.241 -14.980 1.00 0.00 C ATOM 528 CD2 LEU A 33 -11.275 -4.480 -16.988 1.00 0.00 C ATOM 0 H LEU A 33 -10.178 -1.403 -19.370 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.920 -2.065 -17.281 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.458 -2.826 -18.259 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.915 -1.951 -16.841 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.223 -4.358 -16.346 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.691 -4.107 -14.361 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.611 -2.705 -14.547 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.321 -2.580 -15.025 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.503 -5.339 -16.358 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.147 -3.829 -17.044 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.014 -4.823 -17.989 1.00 0.00 H new ATOM 540 N SER A 34 -12.002 -0.405 -15.523 1.00 0.00 N ATOM 541 CA SER A 34 -12.077 0.590 -14.412 1.00 0.00 C ATOM 542 C SER A 34 -11.471 0.019 -13.133 1.00 0.00 C ATOM 543 O SER A 34 -10.969 -1.089 -13.112 1.00 0.00 O ATOM 544 CB SER A 34 -13.568 0.828 -14.205 1.00 0.00 C ATOM 545 OG SER A 34 -14.215 -0.420 -13.988 1.00 0.00 O ATOM 0 H SER A 34 -12.836 -0.981 -15.638 1.00 0.00 H new ATOM 0 HA SER A 34 -11.529 1.502 -14.649 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.728 1.487 -13.352 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.994 1.325 -15.077 1.00 0.00 H new ATOM 0 HG SER A 34 -15.174 -0.272 -13.853 1.00 0.00 H new ATOM 551 N ILE A 35 -11.542 0.764 -12.061 1.00 0.00 N ATOM 552 CA ILE A 35 -11.001 0.267 -10.764 1.00 0.00 C ATOM 553 C ILE A 35 -12.005 -0.704 -10.114 1.00 0.00 C ATOM 554 O ILE A 35 -11.733 -1.275 -9.074 1.00 0.00 O ATOM 555 CB ILE A 35 -10.810 1.516 -9.896 1.00 0.00 C ATOM 556 CG1 ILE A 35 -9.832 2.473 -10.584 1.00 0.00 C ATOM 557 CG2 ILE A 35 -10.245 1.113 -8.532 1.00 0.00 C ATOM 558 CD1 ILE A 35 -9.841 3.819 -9.856 1.00 0.00 C ATOM 0 H ILE A 35 -11.953 1.697 -12.029 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.065 -0.278 -10.888 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.772 2.010 -9.761 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.827 2.050 -10.578 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.114 2.610 -11.628 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.110 2.003 -7.917 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.938 0.432 -8.038 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.284 0.617 -8.668 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.145 4.501 -10.344 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.845 4.242 -9.885 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.539 3.674 -8.819 1.00 0.00 H new ATOM 570 N GLY A 36 -13.152 -0.919 -10.730 1.00 0.00 N ATOM 571 CA GLY A 36 -14.151 -1.874 -10.162 1.00 0.00 C ATOM 572 C GLY A 36 -13.950 -3.251 -10.810 1.00 0.00 C ATOM 573 O GLY A 36 -14.867 -4.041 -10.918 1.00 0.00 O ATOM 0 H GLY A 36 -13.433 -0.470 -11.602 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -14.031 -1.945 -9.081 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -15.163 -1.515 -10.347 1.00 0.00 H new ATOM 577 N ASP A 37 -12.743 -3.538 -11.226 1.00 0.00 N ATOM 578 CA ASP A 37 -12.436 -4.850 -11.852 1.00 0.00 C ATOM 579 C ASP A 37 -10.961 -5.176 -11.615 1.00 0.00 C ATOM 580 O ASP A 37 -10.629 -6.205 -11.056 1.00 0.00 O ATOM 581 CB ASP A 37 -12.722 -4.663 -13.341 1.00 0.00 C ATOM 582 CG ASP A 37 -14.192 -4.979 -13.622 1.00 0.00 C ATOM 583 OD1 ASP A 37 -14.606 -6.088 -13.325 1.00 0.00 O ATOM 584 OD2 ASP A 37 -14.879 -4.108 -14.129 1.00 0.00 O ATOM 0 H ASP A 37 -11.947 -2.904 -11.155 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.026 -5.669 -11.440 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.495 -3.640 -13.640 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.079 -5.317 -13.931 1.00 0.00 H new ATOM 589 N THR A 38 -10.071 -4.302 -12.029 1.00 0.00 N ATOM 590 CA THR A 38 -8.614 -4.561 -11.819 1.00 0.00 C ATOM 591 C THR A 38 -8.294 -4.518 -10.322 1.00 0.00 C ATOM 592 O THR A 38 -7.458 -5.254 -9.837 1.00 0.00 O ATOM 593 CB THR A 38 -7.878 -3.448 -12.587 1.00 0.00 C ATOM 594 OG1 THR A 38 -6.479 -3.687 -12.531 1.00 0.00 O ATOM 595 CG2 THR A 38 -8.176 -2.075 -11.980 1.00 0.00 C ATOM 0 H THR A 38 -10.292 -3.425 -12.501 1.00 0.00 H new ATOM 0 HA THR A 38 -8.308 -5.543 -12.178 1.00 0.00 H new ATOM 0 HB THR A 38 -8.223 -3.455 -13.621 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.000 -2.833 -12.566 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.644 -1.306 -12.541 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.248 -1.882 -12.026 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.849 -2.058 -10.940 1.00 0.00 H new ATOM 603 N ALA A 39 -8.970 -3.669 -9.592 1.00 0.00 N ATOM 604 CA ALA A 39 -8.731 -3.575 -8.119 1.00 0.00 C ATOM 605 C ALA A 39 -9.320 -4.807 -7.435 1.00 0.00 C ATOM 606 O ALA A 39 -8.804 -5.288 -6.444 1.00 0.00 O ATOM 607 CB ALA A 39 -9.458 -2.307 -7.671 1.00 0.00 C ATOM 0 H ALA A 39 -9.681 -3.033 -9.954 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.672 -3.533 -7.866 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.327 -2.172 -6.597 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.046 -1.446 -8.198 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.520 -2.397 -7.898 1.00 0.00 H new ATOM 613 N LYS A 40 -10.389 -5.329 -7.978 1.00 0.00 N ATOM 614 CA LYS A 40 -11.011 -6.548 -7.390 1.00 0.00 C ATOM 615 C LYS A 40 -10.088 -7.734 -7.653 1.00 0.00 C ATOM 616 O LYS A 40 -9.833 -8.546 -6.785 1.00 0.00 O ATOM 617 CB LYS A 40 -12.342 -6.724 -8.124 1.00 0.00 C ATOM 618 CG LYS A 40 -13.435 -5.939 -7.394 1.00 0.00 C ATOM 619 CD LYS A 40 -14.788 -6.213 -8.054 1.00 0.00 C ATOM 620 CE LYS A 40 -15.325 -7.564 -7.576 1.00 0.00 C ATOM 621 NZ LYS A 40 -16.748 -7.587 -8.011 1.00 0.00 N ATOM 0 H LYS A 40 -10.858 -4.961 -8.806 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.168 -6.472 -6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.252 -6.373 -9.152 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.607 -7.780 -8.170 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.466 -6.229 -6.344 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.213 -4.872 -7.424 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.493 -5.420 -7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.682 -6.215 -9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -14.764 -8.389 -8.015 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.241 -7.662 -6.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.186 -8.484 -7.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.258 -6.794 -7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -16.796 -7.499 -9.046 1.00 0.00 H new ATOM 635 N LYS A 41 -9.573 -7.819 -8.853 1.00 0.00 N ATOM 636 CA LYS A 41 -8.642 -8.937 -9.195 1.00 0.00 C ATOM 637 C LYS A 41 -7.346 -8.782 -8.396 1.00 0.00 C ATOM 638 O LYS A 41 -6.893 -9.701 -7.742 1.00 0.00 O ATOM 639 CB LYS A 41 -8.371 -8.795 -10.694 1.00 0.00 C ATOM 640 CG LYS A 41 -7.800 -10.107 -11.235 1.00 0.00 C ATOM 641 CD LYS A 41 -7.305 -9.898 -12.668 1.00 0.00 C ATOM 642 CE LYS A 41 -6.927 -11.248 -13.280 1.00 0.00 C ATOM 643 NZ LYS A 41 -6.104 -10.911 -14.475 1.00 0.00 N ATOM 0 H LYS A 41 -9.757 -7.162 -9.611 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.059 -9.916 -8.957 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.293 -8.543 -11.219 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.670 -7.980 -10.872 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.980 -10.447 -10.602 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.564 -10.884 -11.213 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.081 -9.420 -13.266 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.443 -9.231 -12.673 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.365 -11.859 -12.573 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.814 -11.817 -13.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.806 -11.787 -14.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.667 -10.335 -15.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.264 -10.375 -14.178 1.00 0.00 H new ATOM 657 N LEU A 42 -6.748 -7.618 -8.448 1.00 0.00 N ATOM 658 CA LEU A 42 -5.471 -7.371 -7.698 1.00 0.00 C ATOM 659 C LEU A 42 -5.607 -7.783 -6.227 1.00 0.00 C ATOM 660 O LEU A 42 -4.835 -8.576 -5.723 1.00 0.00 O ATOM 661 CB LEU A 42 -5.247 -5.860 -7.793 1.00 0.00 C ATOM 662 CG LEU A 42 -4.221 -5.545 -8.885 1.00 0.00 C ATOM 663 CD1 LEU A 42 -4.733 -6.006 -10.252 1.00 0.00 C ATOM 664 CD2 LEU A 42 -3.997 -4.039 -8.921 1.00 0.00 C ATOM 0 H LEU A 42 -7.091 -6.819 -8.982 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.645 -7.949 -8.112 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.189 -5.359 -8.014 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.898 -5.476 -6.834 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.291 -6.068 -8.664 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.991 -5.774 -11.016 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.908 -7.082 -10.231 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.665 -5.491 -10.484 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.268 -3.798 -9.695 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.939 -3.536 -9.141 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.624 -3.703 -7.953 1.00 0.00 H new ATOM 676 N GLY A 43 -6.586 -7.246 -5.535 1.00 0.00 N ATOM 677 CA GLY A 43 -6.781 -7.596 -4.091 1.00 0.00 C ATOM 678 C GLY A 43 -6.841 -9.118 -3.927 1.00 0.00 C ATOM 679 O GLY A 43 -6.449 -9.657 -2.908 1.00 0.00 O ATOM 0 H GLY A 43 -7.260 -6.578 -5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.964 -7.189 -3.496 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.701 -7.145 -3.719 1.00 0.00 H new ATOM 683 N GLU A 44 -7.301 -9.811 -4.938 1.00 0.00 N ATOM 684 CA GLU A 44 -7.357 -11.298 -4.860 1.00 0.00 C ATOM 685 C GLU A 44 -5.933 -11.842 -4.955 1.00 0.00 C ATOM 686 O GLU A 44 -5.590 -12.831 -4.336 1.00 0.00 O ATOM 687 CB GLU A 44 -8.189 -11.742 -6.065 1.00 0.00 C ATOM 688 CG GLU A 44 -8.656 -13.185 -5.861 1.00 0.00 C ATOM 689 CD GLU A 44 -9.534 -13.610 -7.039 1.00 0.00 C ATOM 690 OE1 GLU A 44 -8.981 -13.974 -8.064 1.00 0.00 O ATOM 691 OE2 GLU A 44 -10.745 -13.562 -6.897 1.00 0.00 O ATOM 0 H GLU A 44 -7.639 -9.409 -5.812 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.796 -11.660 -3.930 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.049 -11.084 -6.188 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.597 -11.666 -6.977 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.795 -13.848 -5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.215 -13.269 -4.929 1.00 0.00 H new ATOM 698 N MET A 45 -5.100 -11.183 -5.721 1.00 0.00 N ATOM 699 CA MET A 45 -3.686 -11.630 -5.862 1.00 0.00 C ATOM 700 C MET A 45 -2.858 -11.090 -4.693 1.00 0.00 C ATOM 701 O MET A 45 -2.026 -11.783 -4.145 1.00 0.00 O ATOM 702 CB MET A 45 -3.205 -11.030 -7.183 1.00 0.00 C ATOM 703 CG MET A 45 -3.715 -11.882 -8.348 1.00 0.00 C ATOM 704 SD MET A 45 -3.125 -11.182 -9.910 1.00 0.00 S ATOM 705 CE MET A 45 -4.319 -12.006 -10.993 1.00 0.00 C ATOM 0 H MET A 45 -5.343 -10.350 -6.257 1.00 0.00 H new ATOM 0 HA MET A 45 -3.589 -12.716 -5.856 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.566 -10.006 -7.282 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.116 -10.987 -7.200 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.365 -12.909 -8.242 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.805 -11.914 -8.340 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.330 -11.512 -11.965 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.034 -13.050 -11.120 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.312 -11.952 -10.547 1.00 0.00 H new ATOM 715 N TRP A 46 -3.097 -9.858 -4.295 1.00 0.00 N ATOM 716 CA TRP A 46 -2.336 -9.263 -3.143 1.00 0.00 C ATOM 717 C TRP A 46 -2.435 -10.190 -1.923 1.00 0.00 C ATOM 718 O TRP A 46 -1.443 -10.509 -1.294 1.00 0.00 O ATOM 719 CB TRP A 46 -3.012 -7.907 -2.874 1.00 0.00 C ATOM 720 CG TRP A 46 -2.427 -7.274 -1.650 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.121 -6.902 -0.550 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.039 -6.943 -1.389 1.00 0.00 C ATOM 723 NE1 TRP A 46 -2.241 -6.358 0.369 1.00 0.00 N ATOM 724 CE2 TRP A 46 -0.944 -6.363 -0.105 1.00 0.00 C ATOM 725 CE3 TRP A 46 0.133 -7.091 -2.141 1.00 0.00 C ATOM 726 CZ2 TRP A 46 0.281 -5.943 0.415 1.00 0.00 C ATOM 727 CZ3 TRP A 46 1.367 -6.671 -1.626 1.00 0.00 C ATOM 728 CH2 TRP A 46 1.440 -6.098 -0.351 1.00 0.00 C ATOM 0 H TRP A 46 -3.787 -9.238 -4.719 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.274 -9.139 -3.357 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.878 -7.249 -3.732 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.085 -8.046 -2.743 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.187 -7.012 -0.412 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.516 -5.998 1.283 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.086 -7.532 -3.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.333 -5.502 1.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.265 -6.790 -2.215 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.393 -5.775 0.041 1.00 0.00 H new ATOM 739 N SER A 47 -3.624 -10.634 -1.599 1.00 0.00 N ATOM 740 CA SER A 47 -3.794 -11.554 -0.434 1.00 0.00 C ATOM 741 C SER A 47 -3.089 -12.892 -0.697 1.00 0.00 C ATOM 742 O SER A 47 -2.945 -13.705 0.197 1.00 0.00 O ATOM 743 CB SER A 47 -5.305 -11.765 -0.304 1.00 0.00 C ATOM 744 OG SER A 47 -5.607 -12.193 1.016 1.00 0.00 O ATOM 0 H SER A 47 -4.485 -10.398 -2.092 1.00 0.00 H new ATOM 0 HA SER A 47 -3.359 -11.140 0.476 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.834 -10.839 -0.528 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.644 -12.508 -1.026 1.00 0.00 H new ATOM 0 HG SER A 47 -6.574 -12.328 1.103 1.00 0.00 H new ATOM 750 N GLU A 48 -2.638 -13.126 -1.910 1.00 0.00 N ATOM 751 CA GLU A 48 -1.935 -14.396 -2.224 1.00 0.00 C ATOM 752 C GLU A 48 -0.423 -14.166 -2.302 1.00 0.00 C ATOM 753 O GLU A 48 0.344 -15.112 -2.325 1.00 0.00 O ATOM 754 CB GLU A 48 -2.489 -14.811 -3.586 1.00 0.00 C ATOM 755 CG GLU A 48 -3.833 -15.518 -3.398 1.00 0.00 C ATOM 756 CD GLU A 48 -4.227 -16.221 -4.698 1.00 0.00 C ATOM 757 OE1 GLU A 48 -3.647 -17.254 -4.989 1.00 0.00 O ATOM 758 OE2 GLU A 48 -5.104 -15.715 -5.379 1.00 0.00 O ATOM 0 H GLU A 48 -2.732 -12.482 -2.695 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.093 -15.160 -1.463 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.613 -13.935 -4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.785 -15.473 -4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.764 -16.243 -2.587 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.599 -14.796 -3.116 1.00 0.00 H new ATOM 765 N GLN A 49 0.022 -12.927 -2.335 1.00 0.00 N ATOM 766 CA GLN A 49 1.489 -12.671 -2.401 1.00 0.00 C ATOM 767 C GLN A 49 2.152 -13.172 -1.121 1.00 0.00 C ATOM 768 O GLN A 49 1.603 -13.056 -0.042 1.00 0.00 O ATOM 769 CB GLN A 49 1.650 -11.148 -2.511 1.00 0.00 C ATOM 770 CG GLN A 49 0.960 -10.625 -3.774 1.00 0.00 C ATOM 771 CD GLN A 49 1.585 -11.263 -5.018 1.00 0.00 C ATOM 772 OE1 GLN A 49 2.744 -11.631 -5.011 1.00 0.00 O ATOM 773 NE2 GLN A 49 0.860 -11.409 -6.093 1.00 0.00 N ATOM 0 H GLN A 49 -0.566 -12.094 -2.319 1.00 0.00 H new ATOM 0 HA GLN A 49 1.952 -13.183 -3.245 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.223 -10.667 -1.631 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.709 -10.889 -2.534 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.106 -10.852 -3.736 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.054 -9.540 -3.826 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.112 -11.100 -6.098 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.265 -11.832 -6.928 1.00 0.00 H new ATOM 782 N SER A 50 3.331 -13.710 -1.233 1.00 0.00 N ATOM 783 CA SER A 50 4.052 -14.197 -0.024 1.00 0.00 C ATOM 784 C SER A 50 4.994 -13.077 0.472 1.00 0.00 C ATOM 785 O SER A 50 4.526 -12.035 0.895 1.00 0.00 O ATOM 786 CB SER A 50 4.803 -15.448 -0.497 1.00 0.00 C ATOM 787 OG SER A 50 5.791 -15.070 -1.447 1.00 0.00 O ATOM 0 H SER A 50 3.830 -13.835 -2.114 1.00 0.00 H new ATOM 0 HA SER A 50 3.405 -14.446 0.817 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.270 -15.949 0.351 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.106 -16.158 -0.942 1.00 0.00 H new ATOM 0 HG SER A 50 6.275 -15.866 -1.751 1.00 0.00 H new ATOM 793 N ALA A 51 6.298 -13.255 0.417 1.00 0.00 N ATOM 794 CA ALA A 51 7.218 -12.171 0.875 1.00 0.00 C ATOM 795 C ALA A 51 7.867 -11.476 -0.331 1.00 0.00 C ATOM 796 O ALA A 51 8.346 -10.363 -0.229 1.00 0.00 O ATOM 797 CB ALA A 51 8.277 -12.879 1.722 1.00 0.00 C ATOM 0 H ALA A 51 6.757 -14.100 0.076 1.00 0.00 H new ATOM 0 HA ALA A 51 6.695 -11.399 1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.993 -12.147 2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.796 -13.379 2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.798 -13.616 1.111 1.00 0.00 H new ATOM 803 N LYS A 52 7.891 -12.126 -1.470 1.00 0.00 N ATOM 804 CA LYS A 52 8.514 -11.505 -2.681 1.00 0.00 C ATOM 805 C LYS A 52 7.753 -10.238 -3.087 1.00 0.00 C ATOM 806 O LYS A 52 8.347 -9.204 -3.331 1.00 0.00 O ATOM 807 CB LYS A 52 8.409 -12.564 -3.781 1.00 0.00 C ATOM 808 CG LYS A 52 9.495 -12.315 -4.830 1.00 0.00 C ATOM 809 CD LYS A 52 9.238 -13.196 -6.054 1.00 0.00 C ATOM 810 CE LYS A 52 10.286 -12.894 -7.128 1.00 0.00 C ATOM 811 NZ LYS A 52 9.800 -13.595 -8.347 1.00 0.00 N ATOM 0 H LYS A 52 7.506 -13.060 -1.613 1.00 0.00 H new ATOM 0 HA LYS A 52 9.547 -11.210 -2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.522 -13.561 -3.354 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.424 -12.526 -4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.500 -11.264 -5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.477 -12.535 -4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.282 -14.248 -5.774 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.237 -13.011 -6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.378 -11.822 -7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.271 -13.255 -6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.467 -13.435 -9.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.729 -14.615 -8.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.864 -13.226 -8.610 1.00 0.00 H new ATOM 825 N ASP A 53 6.448 -10.311 -3.164 1.00 0.00 N ATOM 826 CA ASP A 53 5.649 -9.110 -3.560 1.00 0.00 C ATOM 827 C ASP A 53 4.678 -8.719 -2.441 1.00 0.00 C ATOM 828 O ASP A 53 3.475 -8.686 -2.626 1.00 0.00 O ATOM 829 CB ASP A 53 4.876 -9.538 -4.805 1.00 0.00 C ATOM 830 CG ASP A 53 5.612 -9.060 -6.059 1.00 0.00 C ATOM 831 OD1 ASP A 53 6.572 -9.708 -6.441 1.00 0.00 O ATOM 832 OD2 ASP A 53 5.202 -8.054 -6.615 1.00 0.00 O ATOM 0 H ASP A 53 5.901 -11.150 -2.970 1.00 0.00 H new ATOM 0 HA ASP A 53 6.283 -8.243 -3.748 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.771 -10.623 -4.825 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.869 -9.121 -4.781 1.00 0.00 H new ATOM 837 N LYS A 54 5.200 -8.416 -1.282 1.00 0.00 N ATOM 838 CA LYS A 54 4.324 -8.019 -0.143 1.00 0.00 C ATOM 839 C LYS A 54 5.150 -7.495 1.039 1.00 0.00 C ATOM 840 O LYS A 54 4.696 -6.651 1.787 1.00 0.00 O ATOM 841 CB LYS A 54 3.592 -9.299 0.246 1.00 0.00 C ATOM 842 CG LYS A 54 2.141 -8.967 0.610 1.00 0.00 C ATOM 843 CD LYS A 54 1.519 -10.123 1.391 1.00 0.00 C ATOM 844 CE LYS A 54 2.095 -10.156 2.808 1.00 0.00 C ATOM 845 NZ LYS A 54 2.113 -11.597 3.182 1.00 0.00 N ATOM 0 H LYS A 54 6.199 -8.427 -1.075 1.00 0.00 H new ATOM 0 HA LYS A 54 3.643 -7.214 -0.419 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.617 -10.010 -0.579 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.091 -9.773 1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.107 -8.055 1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.565 -8.778 -0.296 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.436 -10.007 1.431 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.720 -11.067 0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.097 -9.728 2.837 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.481 -9.577 3.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.496 -11.701 4.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.145 -11.976 3.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.711 -12.122 2.512 1.00 0.00 H new ATOM 859 N GLN A 55 6.352 -7.985 1.214 1.00 0.00 N ATOM 860 CA GLN A 55 7.202 -7.511 2.349 1.00 0.00 C ATOM 861 C GLN A 55 7.784 -6.113 2.062 1.00 0.00 C ATOM 862 O GLN A 55 7.676 -5.233 2.892 1.00 0.00 O ATOM 863 CB GLN A 55 8.326 -8.541 2.472 1.00 0.00 C ATOM 864 CG GLN A 55 7.907 -9.641 3.449 1.00 0.00 C ATOM 865 CD GLN A 55 7.854 -9.071 4.867 1.00 0.00 C ATOM 866 OE1 GLN A 55 8.878 -8.828 5.476 1.00 0.00 O ATOM 867 NE2 GLN A 55 6.696 -8.845 5.424 1.00 0.00 N ATOM 0 H GLN A 55 6.782 -8.694 0.619 1.00 0.00 H new ATOM 0 HA GLN A 55 6.624 -7.422 3.269 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.547 -8.972 1.496 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.239 -8.059 2.821 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.932 -10.039 3.169 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.614 -10.470 3.405 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.836 -9.048 4.914 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.650 -8.465 6.369 1.00 0.00 H new ATOM 876 N PRO A 56 8.396 -5.940 0.906 1.00 0.00 N ATOM 877 CA PRO A 56 8.990 -4.620 0.571 1.00 0.00 C ATOM 878 C PRO A 56 7.905 -3.585 0.242 1.00 0.00 C ATOM 879 O PRO A 56 8.184 -2.404 0.149 1.00 0.00 O ATOM 880 CB PRO A 56 9.852 -4.910 -0.654 1.00 0.00 C ATOM 881 CG PRO A 56 9.245 -6.122 -1.282 1.00 0.00 C ATOM 882 CD PRO A 56 8.596 -6.919 -0.180 1.00 0.00 C ATOM 0 HA PRO A 56 9.557 -4.197 1.400 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.851 -4.067 -1.344 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.889 -5.090 -0.372 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.510 -5.838 -2.035 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.007 -6.715 -1.788 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.650 -7.351 -0.505 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.231 -7.745 0.141 1.00 0.00 H new ATOM 890 N TYR A 57 6.673 -4.008 0.066 1.00 0.00 N ATOM 891 CA TYR A 57 5.587 -3.034 -0.255 1.00 0.00 C ATOM 892 C TYR A 57 4.980 -2.467 1.032 1.00 0.00 C ATOM 893 O TYR A 57 4.621 -1.306 1.093 1.00 0.00 O ATOM 894 CB TYR A 57 4.543 -3.836 -1.037 1.00 0.00 C ATOM 895 CG TYR A 57 5.059 -4.154 -2.428 1.00 0.00 C ATOM 896 CD1 TYR A 57 5.647 -3.152 -3.215 1.00 0.00 C ATOM 897 CD2 TYR A 57 4.942 -5.455 -2.930 1.00 0.00 C ATOM 898 CE1 TYR A 57 6.116 -3.453 -4.499 1.00 0.00 C ATOM 899 CE2 TYR A 57 5.412 -5.755 -4.215 1.00 0.00 C ATOM 900 CZ TYR A 57 5.998 -4.754 -4.999 1.00 0.00 C ATOM 901 OH TYR A 57 6.461 -5.052 -6.265 1.00 0.00 O ATOM 0 H TYR A 57 6.377 -4.982 0.131 1.00 0.00 H new ATOM 0 HA TYR A 57 5.957 -2.185 -0.829 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.312 -4.760 -0.507 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.615 -3.268 -1.107 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.738 -2.147 -2.829 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.489 -6.228 -2.327 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.569 -2.681 -5.103 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.322 -6.760 -4.601 1.00 0.00 H new ATOM 0 HH TYR A 57 5.876 -5.721 -6.678 1.00 0.00 H new ATOM 911 N GLU A 58 4.867 -3.274 2.059 1.00 0.00 N ATOM 912 CA GLU A 58 4.286 -2.773 3.343 1.00 0.00 C ATOM 913 C GLU A 58 5.303 -1.890 4.082 1.00 0.00 C ATOM 914 O GLU A 58 4.936 -1.070 4.903 1.00 0.00 O ATOM 915 CB GLU A 58 3.949 -4.027 4.161 1.00 0.00 C ATOM 916 CG GLU A 58 5.213 -4.868 4.390 1.00 0.00 C ATOM 917 CD GLU A 58 5.298 -5.288 5.861 1.00 0.00 C ATOM 918 OE1 GLU A 58 5.848 -4.528 6.642 1.00 0.00 O ATOM 919 OE2 GLU A 58 4.810 -6.359 6.180 1.00 0.00 O ATOM 0 H GLU A 58 5.151 -4.254 2.064 1.00 0.00 H new ATOM 0 HA GLU A 58 3.401 -2.158 3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.517 -3.739 5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.199 -4.620 3.638 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.194 -5.751 3.751 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.098 -4.294 4.115 1.00 0.00 H new ATOM 926 N GLN A 59 6.573 -2.046 3.790 1.00 0.00 N ATOM 927 CA GLN A 59 7.610 -1.211 4.469 1.00 0.00 C ATOM 928 C GLN A 59 7.634 0.189 3.851 1.00 0.00 C ATOM 929 O GLN A 59 7.285 1.163 4.488 1.00 0.00 O ATOM 930 CB GLN A 59 8.934 -1.934 4.220 1.00 0.00 C ATOM 931 CG GLN A 59 9.062 -3.112 5.187 1.00 0.00 C ATOM 932 CD GLN A 59 9.992 -4.167 4.588 1.00 0.00 C ATOM 933 OE1 GLN A 59 9.631 -5.321 4.476 1.00 0.00 O ATOM 934 NE2 GLN A 59 11.187 -3.817 4.194 1.00 0.00 N ATOM 0 H GLN A 59 6.934 -2.716 3.111 1.00 0.00 H new ATOM 0 HA GLN A 59 7.414 -1.089 5.534 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.979 -2.289 3.190 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.768 -1.245 4.357 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.454 -2.769 6.145 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.081 -3.545 5.381 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.491 -2.848 4.288 1.00 0.00 H new ATOM 0 HE22 GLN A 59 11.816 -4.513 3.793 1.00 0.00 H new ATOM 943 N LYS A 60 8.057 0.294 2.611 1.00 0.00 N ATOM 944 CA LYS A 60 8.125 1.630 1.925 1.00 0.00 C ATOM 945 C LYS A 60 6.832 2.437 2.125 1.00 0.00 C ATOM 946 O LYS A 60 6.845 3.653 2.095 1.00 0.00 O ATOM 947 CB LYS A 60 8.317 1.303 0.442 1.00 0.00 C ATOM 948 CG LYS A 60 8.824 2.543 -0.295 1.00 0.00 C ATOM 949 CD LYS A 60 8.807 2.283 -1.803 1.00 0.00 C ATOM 950 CE LYS A 60 9.625 3.361 -2.518 1.00 0.00 C ATOM 951 NZ LYS A 60 8.741 4.560 -2.541 1.00 0.00 N ATOM 0 H LYS A 60 8.361 -0.494 2.039 1.00 0.00 H new ATOM 0 HA LYS A 60 8.931 2.242 2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.028 0.484 0.329 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.375 0.969 0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.198 3.402 -0.056 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.835 2.785 0.032 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.220 1.297 -2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.781 2.286 -2.171 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.556 3.566 -1.989 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.894 3.049 -3.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.792 5.011 -3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.760 4.272 -2.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.053 5.235 -1.814 1.00 0.00 H new ATOM 965 N ALA A 61 5.726 1.771 2.348 1.00 0.00 N ATOM 966 CA ALA A 61 4.442 2.501 2.571 1.00 0.00 C ATOM 967 C ALA A 61 4.276 2.785 4.063 1.00 0.00 C ATOM 968 O ALA A 61 3.803 3.834 4.458 1.00 0.00 O ATOM 969 CB ALA A 61 3.348 1.551 2.084 1.00 0.00 C ATOM 0 H ALA A 61 5.658 0.754 2.385 1.00 0.00 H new ATOM 0 HA ALA A 61 4.406 3.455 2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.373 2.020 2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.503 1.328 1.028 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.387 0.626 2.659 1.00 0.00 H new ATOM 975 N ALA A 62 4.669 1.852 4.892 1.00 0.00 N ATOM 976 CA ALA A 62 4.546 2.049 6.370 1.00 0.00 C ATOM 977 C ALA A 62 5.345 3.281 6.806 1.00 0.00 C ATOM 978 O ALA A 62 4.847 4.129 7.523 1.00 0.00 O ATOM 979 CB ALA A 62 5.133 0.783 6.999 1.00 0.00 C ATOM 0 H ALA A 62 5.071 0.959 4.609 1.00 0.00 H new ATOM 0 HA ALA A 62 3.512 2.211 6.676 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.076 0.856 8.085 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.567 -0.086 6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.175 0.676 6.696 1.00 0.00 H new ATOM 985 N LYS A 63 6.576 3.389 6.370 1.00 0.00 N ATOM 986 CA LYS A 63 7.407 4.574 6.750 1.00 0.00 C ATOM 987 C LYS A 63 6.941 5.827 5.995 1.00 0.00 C ATOM 988 O LYS A 63 7.360 6.929 6.300 1.00 0.00 O ATOM 989 CB LYS A 63 8.836 4.206 6.343 1.00 0.00 C ATOM 990 CG LYS A 63 9.831 4.998 7.195 1.00 0.00 C ATOM 991 CD LYS A 63 11.256 4.563 6.850 1.00 0.00 C ATOM 992 CE LYS A 63 12.182 4.861 8.032 1.00 0.00 C ATOM 993 NZ LYS A 63 13.279 3.860 7.923 1.00 0.00 N ATOM 0 H LYS A 63 7.041 2.709 5.768 1.00 0.00 H new ATOM 0 HA LYS A 63 7.329 4.801 7.813 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.999 3.136 6.475 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.992 4.424 5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.712 6.066 7.014 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.634 4.830 8.254 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.276 3.498 6.618 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.603 5.090 5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.570 5.879 7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.654 4.766 8.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.956 4.000 8.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.881 2.901 7.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.768 3.979 7.013 1.00 0.00 H new ATOM 1007 N LEU A 64 6.067 5.675 5.027 1.00 0.00 N ATOM 1008 CA LEU A 64 5.567 6.859 4.272 1.00 0.00 C ATOM 1009 C LEU A 64 4.253 7.332 4.892 1.00 0.00 C ATOM 1010 O LEU A 64 3.946 8.510 4.904 1.00 0.00 O ATOM 1011 CB LEU A 64 5.340 6.358 2.844 1.00 0.00 C ATOM 1012 CG LEU A 64 6.588 6.627 2.004 1.00 0.00 C ATOM 1013 CD1 LEU A 64 6.434 5.965 0.634 1.00 0.00 C ATOM 1014 CD2 LEU A 64 6.763 8.136 1.821 1.00 0.00 C ATOM 0 H LEU A 64 5.681 4.779 4.730 1.00 0.00 H new ATOM 0 HA LEU A 64 6.262 7.698 4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.118 5.291 2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.478 6.859 2.404 1.00 0.00 H new ATOM 0 HG LEU A 64 7.461 6.217 2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.324 6.157 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.307 4.890 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.560 6.376 0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.653 8.329 1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.889 8.545 1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.872 8.611 2.796 1.00 0.00 H new ATOM 1026 N LYS A 65 3.479 6.413 5.413 1.00 0.00 N ATOM 1027 CA LYS A 65 2.181 6.789 6.046 1.00 0.00 C ATOM 1028 C LYS A 65 2.433 7.493 7.382 1.00 0.00 C ATOM 1029 O LYS A 65 1.958 8.588 7.617 1.00 0.00 O ATOM 1030 CB LYS A 65 1.444 5.466 6.268 1.00 0.00 C ATOM 1031 CG LYS A 65 0.058 5.743 6.852 1.00 0.00 C ATOM 1032 CD LYS A 65 -0.560 4.433 7.346 1.00 0.00 C ATOM 1033 CE LYS A 65 -1.854 4.733 8.104 1.00 0.00 C ATOM 1034 NZ LYS A 65 -2.420 3.397 8.440 1.00 0.00 N ATOM 0 H LYS A 65 3.692 5.416 5.426 1.00 0.00 H new ATOM 0 HA LYS A 65 1.603 7.475 5.426 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.351 4.927 5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.014 4.829 6.944 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.134 6.454 7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.583 6.197 6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.765 3.774 6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.142 3.910 7.996 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.659 5.317 9.003 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.545 5.312 7.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.311 3.519 8.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.602 2.867 7.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.743 2.871 9.029 1.00 0.00 H new ATOM 1048 N GLU A 66 3.177 6.867 8.258 1.00 0.00 N ATOM 1049 CA GLU A 66 3.466 7.490 9.589 1.00 0.00 C ATOM 1050 C GLU A 66 4.215 8.813 9.407 1.00 0.00 C ATOM 1051 O GLU A 66 4.083 9.724 10.202 1.00 0.00 O ATOM 1052 CB GLU A 66 4.343 6.476 10.327 1.00 0.00 C ATOM 1053 CG GLU A 66 4.532 6.923 11.777 1.00 0.00 C ATOM 1054 CD GLU A 66 3.316 6.501 12.605 1.00 0.00 C ATOM 1055 OE1 GLU A 66 2.347 7.243 12.618 1.00 0.00 O ATOM 1056 OE2 GLU A 66 3.375 5.444 13.210 1.00 0.00 O ATOM 0 H GLU A 66 3.598 5.950 8.110 1.00 0.00 H new ATOM 0 HA GLU A 66 2.553 7.715 10.141 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.880 5.490 10.297 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.311 6.389 9.833 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.438 6.479 12.190 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.658 8.005 11.822 1.00 0.00 H new ATOM 1063 N LYS A 67 5.000 8.921 8.366 1.00 0.00 N ATOM 1064 CA LYS A 67 5.765 10.184 8.122 1.00 0.00 C ATOM 1065 C LYS A 67 4.841 11.277 7.571 1.00 0.00 C ATOM 1066 O LYS A 67 5.104 12.451 7.728 1.00 0.00 O ATOM 1067 CB LYS A 67 6.831 9.809 7.088 1.00 0.00 C ATOM 1068 CG LYS A 67 7.718 11.026 6.783 1.00 0.00 C ATOM 1069 CD LYS A 67 9.194 10.643 6.926 1.00 0.00 C ATOM 1070 CE LYS A 67 9.645 9.876 5.681 1.00 0.00 C ATOM 1071 NZ LYS A 67 10.076 10.927 4.718 1.00 0.00 N ATOM 0 H LYS A 67 5.145 8.188 7.672 1.00 0.00 H new ATOM 0 HA LYS A 67 6.204 10.579 9.038 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.442 8.989 7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.354 9.458 6.173 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.523 11.385 5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.477 11.842 7.464 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.802 11.538 7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.337 10.030 7.816 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.462 9.193 5.912 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.833 9.274 5.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.400 10.479 3.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.275 11.558 4.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.854 11.479 5.132 1.00 0.00 H new ATOM 1085 N TYR A 68 3.763 10.893 6.936 1.00 0.00 N ATOM 1086 CA TYR A 68 2.803 11.898 6.368 1.00 0.00 C ATOM 1087 C TYR A 68 2.062 12.612 7.513 1.00 0.00 C ATOM 1088 O TYR A 68 1.756 13.786 7.434 1.00 0.00 O ATOM 1089 CB TYR A 68 1.859 11.044 5.490 1.00 0.00 C ATOM 1090 CG TYR A 68 0.537 11.735 5.209 1.00 0.00 C ATOM 1091 CD1 TYR A 68 -0.509 11.643 6.137 1.00 0.00 C ATOM 1092 CD2 TYR A 68 0.351 12.439 4.013 1.00 0.00 C ATOM 1093 CE1 TYR A 68 -1.739 12.257 5.870 1.00 0.00 C ATOM 1094 CE2 TYR A 68 -0.881 13.049 3.744 1.00 0.00 C ATOM 1095 CZ TYR A 68 -1.925 12.958 4.674 1.00 0.00 C ATOM 1096 OH TYR A 68 -3.139 13.560 4.409 1.00 0.00 O ATOM 0 H TYR A 68 3.501 9.919 6.784 1.00 0.00 H new ATOM 0 HA TYR A 68 3.276 12.691 5.788 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.354 10.817 4.546 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.669 10.093 5.987 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -0.366 11.098 7.059 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.157 12.512 3.298 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -2.544 12.189 6.587 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.026 13.589 2.820 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.100 14.006 3.537 1.00 0.00 H new ATOM 1106 N GLU A 69 1.772 11.896 8.562 1.00 0.00 N ATOM 1107 CA GLU A 69 1.042 12.502 9.722 1.00 0.00 C ATOM 1108 C GLU A 69 1.882 13.604 10.374 1.00 0.00 C ATOM 1109 O GLU A 69 1.357 14.597 10.842 1.00 0.00 O ATOM 1110 CB GLU A 69 0.816 11.349 10.702 1.00 0.00 C ATOM 1111 CG GLU A 69 -0.151 10.337 10.086 1.00 0.00 C ATOM 1112 CD GLU A 69 -0.740 9.457 11.190 1.00 0.00 C ATOM 1113 OE1 GLU A 69 0.014 8.713 11.793 1.00 0.00 O ATOM 1114 OE2 GLU A 69 -1.937 9.541 11.413 1.00 0.00 O ATOM 0 H GLU A 69 2.009 10.910 8.671 1.00 0.00 H new ATOM 0 HA GLU A 69 0.105 12.965 9.413 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.764 10.866 10.936 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.412 11.729 11.640 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.949 10.857 9.556 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.369 9.720 9.353 1.00 0.00 H new ATOM 1121 N LYS A 70 3.183 13.448 10.393 1.00 0.00 N ATOM 1122 CA LYS A 70 4.058 14.498 10.999 1.00 0.00 C ATOM 1123 C LYS A 70 4.467 15.505 9.919 1.00 0.00 C ATOM 1124 O LYS A 70 4.723 16.662 10.196 1.00 0.00 O ATOM 1125 CB LYS A 70 5.276 13.751 11.563 1.00 0.00 C ATOM 1126 CG LYS A 70 6.029 13.023 10.443 1.00 0.00 C ATOM 1127 CD LYS A 70 7.414 12.614 10.951 1.00 0.00 C ATOM 1128 CE LYS A 70 8.338 12.346 9.762 1.00 0.00 C ATOM 1129 NZ LYS A 70 9.712 12.343 10.335 1.00 0.00 N ATOM 0 H LYS A 70 3.676 12.639 10.015 1.00 0.00 H new ATOM 0 HA LYS A 70 3.555 15.061 11.786 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.944 14.455 12.059 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.952 13.033 12.317 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.470 12.143 10.125 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.125 13.671 9.572 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.830 13.403 11.577 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.336 11.722 11.572 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.106 11.392 9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.231 13.116 8.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.403 12.165 9.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.908 13.266 10.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.786 11.596 11.055 1.00 0.00 H new ATOM 1143 N ASP A 71 4.496 15.070 8.684 1.00 0.00 N ATOM 1144 CA ASP A 71 4.849 15.990 7.566 1.00 0.00 C ATOM 1145 C ASP A 71 3.698 16.971 7.362 1.00 0.00 C ATOM 1146 O ASP A 71 3.870 18.174 7.369 1.00 0.00 O ATOM 1147 CB ASP A 71 4.998 15.088 6.339 1.00 0.00 C ATOM 1148 CG ASP A 71 6.481 14.816 6.076 1.00 0.00 C ATOM 1149 OD1 ASP A 71 7.114 14.219 6.932 1.00 0.00 O ATOM 1150 OD2 ASP A 71 6.958 15.209 5.025 1.00 0.00 O ATOM 0 H ASP A 71 4.289 14.111 8.403 1.00 0.00 H new ATOM 0 HA ASP A 71 5.757 16.563 7.754 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.469 14.149 6.500 1.00 0.00 H new ATOM 0 HB3 ASP A 71 4.546 15.564 5.469 1.00 0.00 H new ATOM 1155 N ILE A 72 2.520 16.441 7.177 1.00 0.00 N ATOM 1156 CA ILE A 72 1.316 17.301 6.962 1.00 0.00 C ATOM 1157 C ILE A 72 1.124 18.269 8.141 1.00 0.00 C ATOM 1158 O ILE A 72 0.620 19.363 7.970 1.00 0.00 O ATOM 1159 CB ILE A 72 0.149 16.297 6.858 1.00 0.00 C ATOM 1160 CG1 ILE A 72 0.231 15.574 5.507 1.00 0.00 C ATOM 1161 CG2 ILE A 72 -1.212 17.003 6.978 1.00 0.00 C ATOM 1162 CD1 ILE A 72 0.049 16.570 4.351 1.00 0.00 C ATOM 0 H ILE A 72 2.336 15.438 7.165 1.00 0.00 H new ATOM 0 HA ILE A 72 1.396 17.929 6.074 1.00 0.00 H new ATOM 0 HB ILE A 72 0.233 15.584 7.678 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.194 15.072 5.414 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.537 14.802 5.454 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.012 16.267 6.900 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.276 17.508 7.942 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.314 17.735 6.177 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.110 16.040 3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.925 17.052 4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.833 17.326 4.395 1.00 0.00 H new ATOM 1174 N ALA A 73 1.511 17.876 9.327 1.00 0.00 N ATOM 1175 CA ALA A 73 1.336 18.777 10.510 1.00 0.00 C ATOM 1176 C ALA A 73 2.133 20.070 10.327 1.00 0.00 C ATOM 1177 O ALA A 73 1.604 21.158 10.461 1.00 0.00 O ATOM 1178 CB ALA A 73 1.870 17.985 11.706 1.00 0.00 C ATOM 0 H ALA A 73 1.940 16.973 9.529 1.00 0.00 H new ATOM 0 HA ALA A 73 0.294 19.066 10.646 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.774 18.584 12.611 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.297 17.064 11.818 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.920 17.742 11.542 1.00 0.00 H new ATOM 1184 N ALA A 74 3.401 19.960 10.027 1.00 0.00 N ATOM 1185 CA ALA A 74 4.240 21.184 9.840 1.00 0.00 C ATOM 1186 C ALA A 74 3.932 21.831 8.491 1.00 0.00 C ATOM 1187 O ALA A 74 3.944 23.041 8.356 1.00 0.00 O ATOM 1188 CB ALA A 74 5.688 20.689 9.880 1.00 0.00 C ATOM 0 H ALA A 74 3.893 19.075 9.903 1.00 0.00 H new ATOM 0 HA ALA A 74 4.048 21.935 10.606 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.365 21.533 9.749 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.883 20.213 10.841 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.848 19.968 9.079 1.00 0.00 H new ATOM 1194 N TYR A 75 3.657 21.033 7.491 1.00 0.00 N ATOM 1195 CA TYR A 75 3.348 21.596 6.142 1.00 0.00 C ATOM 1196 C TYR A 75 1.973 22.270 6.148 1.00 0.00 C ATOM 1197 O TYR A 75 1.704 23.144 5.346 1.00 0.00 O ATOM 1198 CB TYR A 75 3.354 20.397 5.192 1.00 0.00 C ATOM 1199 CG TYR A 75 3.884 20.827 3.846 1.00 0.00 C ATOM 1200 CD1 TYR A 75 5.265 20.842 3.610 1.00 0.00 C ATOM 1201 CD2 TYR A 75 2.997 21.213 2.835 1.00 0.00 C ATOM 1202 CE1 TYR A 75 5.756 21.243 2.362 1.00 0.00 C ATOM 1203 CE2 TYR A 75 3.489 21.613 1.587 1.00 0.00 C ATOM 1204 CZ TYR A 75 4.870 21.629 1.350 1.00 0.00 C ATOM 1205 OH TYR A 75 5.354 22.024 0.121 1.00 0.00 O ATOM 0 H TYR A 75 3.633 20.015 7.551 1.00 0.00 H new ATOM 0 HA TYR A 75 4.071 22.354 5.841 1.00 0.00 H new ATOM 0 HB2 TYR A 75 3.973 19.598 5.601 1.00 0.00 H new ATOM 0 HB3 TYR A 75 2.346 19.997 5.087 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.950 20.544 4.390 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.933 21.202 3.018 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.820 21.254 2.180 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.804 21.909 0.806 1.00 0.00 H new ATOM 0 HH TYR A 75 4.622 22.393 -0.416 1.00 0.00 H new ATOM 1215 N ARG A 76 1.098 21.871 7.041 1.00 0.00 N ATOM 1216 CA ARG A 76 -0.261 22.493 7.091 1.00 0.00 C ATOM 1217 C ARG A 76 -0.253 23.778 7.936 1.00 0.00 C ATOM 1218 O ARG A 76 -1.235 24.494 7.982 1.00 0.00 O ATOM 1219 CB ARG A 76 -1.156 21.433 7.736 1.00 0.00 C ATOM 1220 CG ARG A 76 -2.601 21.932 7.771 1.00 0.00 C ATOM 1221 CD ARG A 76 -3.551 20.737 7.872 1.00 0.00 C ATOM 1222 NE ARG A 76 -4.763 21.267 8.557 1.00 0.00 N ATOM 1223 CZ ARG A 76 -5.103 20.804 9.729 1.00 0.00 C ATOM 1224 NH1 ARG A 76 -5.638 19.618 9.832 1.00 0.00 N ATOM 1225 NH2 ARG A 76 -4.910 21.529 10.798 1.00 0.00 N ATOM 0 H ARG A 76 1.267 21.143 7.735 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.609 22.782 6.099 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.096 20.501 7.174 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.811 21.218 8.747 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.746 22.599 8.621 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.820 22.509 6.872 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.796 20.342 6.886 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.101 19.922 8.439 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.326 21.991 8.111 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.790 19.053 8.997 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.904 19.256 10.748 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.494 22.457 10.717 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.176 21.168 11.714 1.00 0.00 H new ATOM 1239 N ALA A 77 0.839 24.079 8.601 1.00 0.00 N ATOM 1240 CA ALA A 77 0.893 25.318 9.433 1.00 0.00 C ATOM 1241 C ALA A 77 1.981 26.259 8.913 1.00 0.00 C ATOM 1242 O ALA A 77 1.703 27.260 8.283 1.00 0.00 O ATOM 1243 CB ALA A 77 1.220 24.833 10.848 1.00 0.00 C ATOM 0 H ALA A 77 1.692 23.519 8.602 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.042 25.877 9.405 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.277 25.688 11.522 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.439 24.154 11.189 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.177 24.311 10.842 1.00 0.00 H new ATOM 1249 N LYS A 78 3.220 25.938 9.176 1.00 0.00 N ATOM 1250 CA LYS A 78 4.360 26.797 8.710 1.00 0.00 C ATOM 1251 C LYS A 78 4.157 28.253 9.145 1.00 0.00 C ATOM 1252 O LYS A 78 4.812 29.116 8.582 1.00 0.00 O ATOM 1253 CB LYS A 78 4.352 26.687 7.182 1.00 0.00 C ATOM 1254 CG LYS A 78 5.671 27.228 6.624 1.00 0.00 C ATOM 1255 CD LYS A 78 5.991 26.528 5.303 1.00 0.00 C ATOM 1256 CE LYS A 78 7.504 26.545 5.069 1.00 0.00 C ATOM 1257 NZ LYS A 78 7.698 25.866 3.758 1.00 0.00 N ATOM 1258 OXT LYS A 78 3.352 28.479 10.032 1.00 0.00 O ATOM 0 H LYS A 78 3.499 25.108 9.700 1.00 0.00 H new ATOM 0 HA LYS A 78 5.309 26.473 9.137 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.217 25.648 6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.513 27.249 6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.598 28.304 6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.476 27.063 7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.628 25.501 5.326 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.480 27.029 4.481 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.889 27.565 5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.033 26.023 5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.712 25.838 3.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.329 24.895 3.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.189 26.389 3.017 1.00 0.00 H new TER 1272 LYS A 78