USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 724 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 22:sc= 0.178 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.2) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 45:sc= 0.434 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot -37:sc= 0.0661! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0.088) USER MOD Single : A 30 SER OG : rot -150:sc= -0.827 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -2.21 K(o=-2.2,f=-3.5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0906 X(o=-0.091,f=-0.016) USER MOD Single : A 39 TYR OH : rot 180:sc= -1.06 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.00096 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 126:sc= -0.603 USER MOD Single : A 51 HIS : no HE2:sc= -4.64! C(o=-4.6!,f=-9.1!) USER MOD Single : A 52 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.246) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.223 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0479) USER MOD Single : A 84 LYS NZ :NH3+ 164:sc= -0.965 (180deg=-1.68) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.192 11.790 28.719 1.00 28.00 N ATOM 2 CA MET A 1 23.912 10.496 28.884 1.00 27.50 C ATOM 3 C MET A 1 24.172 10.243 30.370 1.00 27.81 C ATOM 4 O MET A 1 25.175 10.664 30.914 1.00 28.44 O ATOM 5 CB MET A 1 25.246 10.555 28.137 1.00 27.59 C ATOM 6 CG MET A 1 25.802 9.140 27.968 1.00 27.43 C ATOM 7 SD MET A 1 27.275 9.189 26.918 1.00 27.62 S ATOM 8 CE MET A 1 27.190 7.481 26.329 1.00 27.12 C ATOM 0 H1 MET A 1 23.015 11.962 27.709 1.00 28.00 H new ATOM 0 H2 MET A 1 22.286 11.750 29.227 1.00 28.00 H new ATOM 0 H3 MET A 1 23.772 12.562 29.105 1.00 28.00 H new ATOM 0 HA MET A 1 23.303 9.688 28.478 1.00 27.50 H new ATOM 0 HB2 MET A 1 25.108 11.021 27.162 1.00 27.59 H new ATOM 0 HB3 MET A 1 25.956 11.172 28.688 1.00 27.59 H new ATOM 0 HG2 MET A 1 26.051 8.717 28.941 1.00 27.43 H new ATOM 0 HG3 MET A 1 25.047 8.492 27.523 1.00 27.43 H new ATOM 0 HE1 MET A 1 28.022 7.288 25.652 1.00 27.12 H new ATOM 0 HE2 MET A 1 27.248 6.800 27.178 1.00 27.12 H new ATOM 0 HE3 MET A 1 26.249 7.324 25.802 1.00 27.12 H new ATOM 20 N SER A 2 23.272 9.557 31.029 1.00 27.55 N ATOM 21 CA SER A 2 23.457 9.270 32.483 1.00 28.06 C ATOM 22 C SER A 2 22.850 7.906 32.813 1.00 27.47 C ATOM 23 O SER A 2 23.553 6.964 33.129 1.00 27.79 O ATOM 24 CB SER A 2 22.760 10.353 33.308 1.00 28.94 C ATOM 25 OG SER A 2 23.628 11.470 33.446 1.00 29.89 O ATOM 0 H SER A 2 22.415 9.183 30.621 1.00 27.55 H new ATOM 0 HA SER A 2 24.521 9.261 32.721 1.00 28.06 H new ATOM 0 HB2 SER A 2 21.833 10.656 32.822 1.00 28.94 H new ATOM 0 HB3 SER A 2 22.492 9.963 34.290 1.00 28.94 H new ATOM 0 HG SER A 2 24.292 11.460 32.725 1.00 29.89 H new ATOM 31 N LYS A 3 21.548 7.794 32.746 1.00 26.77 N ATOM 32 CA LYS A 3 20.884 6.495 33.054 1.00 26.36 C ATOM 33 C LYS A 3 20.944 5.586 31.825 1.00 24.80 C ATOM 34 O LYS A 3 21.518 4.513 31.864 1.00 24.62 O ATOM 35 CB LYS A 3 19.422 6.746 33.432 1.00 26.74 C ATOM 36 CG LYS A 3 18.896 5.566 34.252 1.00 27.38 C ATOM 37 CD LYS A 3 17.367 5.548 34.197 1.00 27.66 C ATOM 38 CE LYS A 3 16.805 6.473 35.277 1.00 28.82 C ATOM 39 NZ LYS A 3 15.473 5.971 35.718 1.00 29.45 N ATOM 0 H LYS A 3 20.915 8.551 32.490 1.00 26.77 H new ATOM 0 HA LYS A 3 21.397 6.014 33.886 1.00 26.36 H new ATOM 0 HB2 LYS A 3 19.337 7.668 34.007 1.00 26.74 H new ATOM 0 HB3 LYS A 3 18.820 6.875 32.533 1.00 26.74 H new ATOM 0 HG2 LYS A 3 19.296 4.630 33.861 1.00 27.38 H new ATOM 0 HG3 LYS A 3 19.232 5.649 35.285 1.00 27.38 H new ATOM 0 HD2 LYS A 3 17.024 5.870 33.214 1.00 27.66 H new ATOM 0 HD3 LYS A 3 16.999 4.533 34.346 1.00 27.66 H new ATOM 0 HE2 LYS A 3 17.488 6.516 36.125 1.00 28.82 H new ATOM 0 HE3 LYS A 3 16.713 7.488 34.890 1.00 28.82 H new ATOM 0 HZ1 LYS A 3 15.091 6.600 36.453 1.00 29.45 H new ATOM 0 HZ2 LYS A 3 14.823 5.952 34.906 1.00 29.45 H new ATOM 0 HZ3 LYS A 3 15.574 5.010 36.103 1.00 29.45 H new ATOM 53 N ARG A 4 20.355 6.010 30.735 1.00 23.84 N ATOM 54 CA ARG A 4 20.373 5.179 29.496 1.00 22.41 C ATOM 55 C ARG A 4 20.149 6.075 28.276 1.00 21.26 C ATOM 56 O ARG A 4 21.031 6.255 27.458 1.00 20.77 O ATOM 57 CB ARG A 4 19.261 4.129 29.571 1.00 22.33 C ATOM 58 CG ARG A 4 19.726 2.842 28.882 1.00 22.12 C ATOM 59 CD ARG A 4 19.076 1.627 29.557 1.00 22.69 C ATOM 60 NE ARG A 4 18.592 0.661 28.511 1.00 22.24 N ATOM 61 CZ ARG A 4 17.792 1.026 27.530 1.00 21.72 C ATOM 62 NH1 ARG A 4 17.216 2.205 27.517 1.00 21.63 N ATOM 63 NH2 ARG A 4 17.519 0.173 26.581 1.00 21.56 N ATOM 0 H ARG A 4 19.861 6.899 30.651 1.00 23.84 H new ATOM 0 HA ARG A 4 21.338 4.681 29.406 1.00 22.41 H new ATOM 0 HB2 ARG A 4 19.008 3.926 30.612 1.00 22.33 H new ATOM 0 HB3 ARG A 4 18.358 4.505 29.091 1.00 22.33 H new ATOM 0 HG2 ARG A 4 19.460 2.868 27.825 1.00 22.12 H new ATOM 0 HG3 ARG A 4 20.812 2.762 28.936 1.00 22.12 H new ATOM 0 HD2 ARG A 4 19.795 1.136 30.213 1.00 22.69 H new ATOM 0 HD3 ARG A 4 18.242 1.949 30.181 1.00 22.69 H new ATOM 0 HE ARG A 4 18.894 -0.312 28.563 1.00 22.24 H new ATOM 0 HH11 ARG A 4 17.384 2.863 28.278 1.00 21.63 H new ATOM 0 HH12 ARG A 4 16.601 2.464 26.746 1.00 21.63 H new ATOM 0 HH21 ARG A 4 17.923 -0.763 26.605 1.00 21.56 H new ATOM 0 HH22 ARG A 4 16.901 0.442 25.815 1.00 21.56 H new ATOM 77 N LYS A 5 18.972 6.641 28.152 1.00 21.05 N ATOM 78 CA LYS A 5 18.676 7.531 26.987 1.00 20.16 C ATOM 79 C LYS A 5 18.848 6.751 25.681 1.00 18.53 C ATOM 80 O LYS A 5 19.888 6.803 25.051 1.00 18.40 O ATOM 81 CB LYS A 5 19.634 8.727 26.997 1.00 20.75 C ATOM 82 CG LYS A 5 18.970 9.909 27.707 1.00 21.90 C ATOM 83 CD LYS A 5 19.342 9.889 29.191 1.00 23.16 C ATOM 84 CE LYS A 5 18.956 11.223 29.832 1.00 24.39 C ATOM 85 NZ LYS A 5 17.483 11.420 29.718 1.00 24.80 N ATOM 0 H LYS A 5 18.202 6.524 28.810 1.00 21.05 H new ATOM 0 HA LYS A 5 17.648 7.887 27.061 1.00 20.16 H new ATOM 0 HB2 LYS A 5 20.561 8.459 27.504 1.00 20.75 H new ATOM 0 HB3 LYS A 5 19.897 9.004 25.976 1.00 20.75 H new ATOM 0 HG2 LYS A 5 19.292 10.846 27.253 1.00 21.90 H new ATOM 0 HG3 LYS A 5 17.887 9.854 27.592 1.00 21.90 H new ATOM 0 HD2 LYS A 5 18.829 9.070 29.694 1.00 23.16 H new ATOM 0 HD3 LYS A 5 20.412 9.714 29.306 1.00 23.16 H new ATOM 0 HE2 LYS A 5 19.256 11.235 30.880 1.00 24.39 H new ATOM 0 HE3 LYS A 5 19.482 12.041 29.340 1.00 24.39 H new ATOM 0 HZ1 LYS A 5 17.184 12.181 30.361 1.00 24.80 H new ATOM 0 HZ2 LYS A 5 17.242 11.678 28.740 1.00 24.80 H new ATOM 0 HZ3 LYS A 5 16.994 10.538 29.974 1.00 24.80 H new ATOM 99 N ALA A 6 17.833 6.032 25.271 1.00 17.48 N ATOM 100 CA ALA A 6 17.928 5.245 24.007 1.00 15.97 C ATOM 101 C ALA A 6 17.454 6.113 22.827 1.00 15.13 C ATOM 102 O ALA A 6 16.669 7.021 23.022 1.00 15.58 O ATOM 103 CB ALA A 6 17.043 4.002 24.112 1.00 15.37 C ATOM 0 H ALA A 6 16.941 5.957 25.760 1.00 17.48 H new ATOM 0 HA ALA A 6 18.962 4.942 23.844 1.00 15.97 H new ATOM 0 HB1 ALA A 6 17.112 3.427 23.189 1.00 15.37 H new ATOM 0 HB2 ALA A 6 17.377 3.387 24.948 1.00 15.37 H new ATOM 0 HB3 ALA A 6 16.008 4.305 24.274 1.00 15.37 H new ATOM 109 N PRO A 7 17.936 5.822 21.629 1.00 14.23 N ATOM 110 CA PRO A 7 17.543 6.596 20.435 1.00 13.69 C ATOM 111 C PRO A 7 16.033 6.480 20.205 1.00 12.93 C ATOM 112 O PRO A 7 15.552 5.498 19.672 1.00 12.11 O ATOM 113 CB PRO A 7 18.322 5.956 19.274 1.00 13.12 C ATOM 114 CG PRO A 7 19.161 4.789 19.851 1.00 13.40 C ATOM 115 CD PRO A 7 18.894 4.724 21.363 1.00 14.09 C ATOM 0 HA PRO A 7 17.766 7.658 20.536 1.00 13.69 H new ATOM 0 HB2 PRO A 7 17.636 5.591 18.509 1.00 13.12 H new ATOM 0 HB3 PRO A 7 18.969 6.692 18.797 1.00 13.12 H new ATOM 0 HG2 PRO A 7 18.887 3.848 19.374 1.00 13.40 H new ATOM 0 HG3 PRO A 7 20.222 4.948 19.656 1.00 13.40 H new ATOM 0 HD2 PRO A 7 18.477 3.758 21.649 1.00 14.09 H new ATOM 0 HD3 PRO A 7 19.814 4.856 21.933 1.00 14.09 H new ATOM 123 N GLN A 8 15.286 7.478 20.606 1.00 13.53 N ATOM 124 CA GLN A 8 13.805 7.436 20.417 1.00 13.25 C ATOM 125 C GLN A 8 13.479 7.361 18.922 1.00 12.21 C ATOM 126 O GLN A 8 13.677 8.310 18.187 1.00 12.70 O ATOM 127 CB GLN A 8 13.175 8.697 21.019 1.00 14.60 C ATOM 128 CG GLN A 8 13.802 9.944 20.387 1.00 15.24 C ATOM 129 CD GLN A 8 13.891 11.059 21.431 1.00 16.57 C ATOM 130 OE1 GLN A 8 12.895 11.446 22.009 1.00 17.32 O ATOM 131 NE2 GLN A 8 15.050 11.596 21.699 1.00 17.13 N ATOM 0 H GLN A 8 15.640 8.322 21.057 1.00 13.53 H new ATOM 0 HA GLN A 8 13.401 6.556 20.918 1.00 13.25 H new ATOM 0 HB2 GLN A 8 12.099 8.694 20.848 1.00 14.60 H new ATOM 0 HB3 GLN A 8 13.326 8.710 22.098 1.00 14.60 H new ATOM 0 HG2 GLN A 8 14.796 9.710 20.005 1.00 15.24 H new ATOM 0 HG3 GLN A 8 13.203 10.274 19.538 1.00 15.24 H new ATOM 0 HE21 GLN A 8 15.887 11.272 21.214 1.00 17.13 H new ATOM 0 HE22 GLN A 8 15.119 12.340 22.393 1.00 17.13 H new ATOM 140 N GLU A 9 12.982 6.236 18.471 1.00 11.08 N ATOM 141 CA GLU A 9 12.641 6.088 17.026 1.00 10.27 C ATOM 142 C GLU A 9 11.454 5.132 16.877 1.00 9.45 C ATOM 143 O GLU A 9 10.427 5.488 16.333 1.00 9.98 O ATOM 144 CB GLU A 9 13.848 5.523 16.273 1.00 9.77 C ATOM 145 CG GLU A 9 14.678 6.675 15.702 1.00 10.71 C ATOM 146 CD GLU A 9 16.007 6.133 15.174 1.00 10.91 C ATOM 147 OE1 GLU A 9 15.977 5.164 14.434 1.00 10.66 O ATOM 148 OE2 GLU A 9 17.034 6.696 15.519 1.00 11.75 O ATOM 0 H GLU A 9 12.798 5.413 19.044 1.00 11.08 H new ATOM 0 HA GLU A 9 12.378 7.062 16.613 1.00 10.27 H new ATOM 0 HB2 GLU A 9 14.458 4.919 16.944 1.00 9.77 H new ATOM 0 HB3 GLU A 9 13.514 4.868 15.469 1.00 9.77 H new ATOM 0 HG2 GLU A 9 14.130 7.169 14.900 1.00 10.71 H new ATOM 0 HG3 GLU A 9 14.859 7.424 16.473 1.00 10.71 H new ATOM 155 N THR A 10 11.596 3.917 17.356 1.00 8.58 N ATOM 156 CA THR A 10 10.490 2.904 17.260 1.00 8.14 C ATOM 157 C THR A 10 9.912 2.857 15.836 1.00 7.05 C ATOM 158 O THR A 10 8.758 2.529 15.638 1.00 7.26 O ATOM 159 CB THR A 10 9.376 3.248 18.257 1.00 9.52 C ATOM 160 OG1 THR A 10 9.157 4.652 18.274 1.00 10.25 O ATOM 161 CG2 THR A 10 9.778 2.779 19.656 1.00 10.54 C ATOM 0 H THR A 10 12.442 3.579 17.815 1.00 8.58 H new ATOM 0 HA THR A 10 10.903 1.924 17.500 1.00 8.14 H new ATOM 0 HB THR A 10 8.458 2.745 17.953 1.00 9.52 H new ATOM 0 HG1 THR A 10 9.128 4.990 17.354 1.00 10.25 H new ATOM 0 HG21 THR A 10 8.986 3.024 20.363 1.00 10.54 H new ATOM 0 HG22 THR A 10 9.936 1.701 19.647 1.00 10.54 H new ATOM 0 HG23 THR A 10 10.699 3.278 19.956 1.00 10.54 H new ATOM 169 N LEU A 11 10.710 3.186 14.852 1.00 6.40 N ATOM 170 CA LEU A 11 10.218 3.165 13.441 1.00 5.74 C ATOM 171 C LEU A 11 10.195 1.722 12.925 1.00 4.28 C ATOM 172 O LEU A 11 10.578 0.800 13.622 1.00 4.54 O ATOM 173 CB LEU A 11 11.142 4.018 12.562 1.00 6.47 C ATOM 174 CG LEU A 11 12.576 3.470 12.616 1.00 6.68 C ATOM 175 CD1 LEU A 11 12.854 2.633 11.365 1.00 6.91 C ATOM 176 CD2 LEU A 11 13.570 4.634 12.676 1.00 7.96 C ATOM 0 H LEU A 11 11.683 3.469 14.965 1.00 6.40 H new ATOM 0 HA LEU A 11 9.208 3.574 13.403 1.00 5.74 H new ATOM 0 HB2 LEU A 11 10.782 4.016 11.533 1.00 6.47 H new ATOM 0 HB3 LEU A 11 11.127 5.053 12.903 1.00 6.47 H new ATOM 0 HG LEU A 11 12.688 2.848 13.504 1.00 6.68 H new ATOM 0 HD11 LEU A 11 13.872 2.245 11.405 1.00 6.91 H new ATOM 0 HD12 LEU A 11 12.151 1.802 11.320 1.00 6.91 H new ATOM 0 HD13 LEU A 11 12.738 3.255 10.478 1.00 6.91 H new ATOM 0 HD21 LEU A 11 14.587 4.243 12.714 1.00 7.96 H new ATOM 0 HD22 LEU A 11 13.454 5.257 11.789 1.00 7.96 H new ATOM 0 HD23 LEU A 11 13.377 5.231 13.567 1.00 7.96 H new ATOM 188 N ASN A 12 9.748 1.521 11.709 1.00 3.35 N ATOM 189 CA ASN A 12 9.698 0.140 11.143 1.00 2.61 C ATOM 190 C ASN A 12 9.950 0.191 9.632 1.00 1.92 C ATOM 191 O ASN A 12 10.967 -0.272 9.151 1.00 2.04 O ATOM 192 CB ASN A 12 8.322 -0.473 11.414 1.00 3.50 C ATOM 193 CG ASN A 12 8.475 -1.971 11.685 1.00 4.62 C ATOM 194 OD1 ASN A 12 8.430 -2.773 10.773 1.00 5.27 O ATOM 195 ND2 ASN A 12 8.655 -2.386 12.909 1.00 5.61 N ATOM 0 H ASN A 12 9.416 2.256 11.085 1.00 3.35 H new ATOM 0 HA ASN A 12 10.467 -0.472 11.614 1.00 2.61 H new ATOM 0 HB2 ASN A 12 7.856 0.016 12.269 1.00 3.50 H new ATOM 0 HB3 ASN A 12 7.666 -0.313 10.559 1.00 3.50 H new ATOM 0 HD21 ASN A 12 8.758 -3.383 13.100 1.00 5.61 H new ATOM 0 HD22 ASN A 12 8.693 -1.714 13.675 1.00 5.61 H new ATOM 202 N GLY A 13 9.033 0.752 8.882 1.00 1.58 N ATOM 203 CA GLY A 13 9.216 0.834 7.401 1.00 1.54 C ATOM 204 C GLY A 13 8.782 -0.482 6.750 1.00 1.40 C ATOM 205 O GLY A 13 8.394 -1.418 7.424 1.00 2.08 O ATOM 0 H GLY A 13 8.165 1.157 9.233 1.00 1.58 H new ATOM 0 HA2 GLY A 13 8.630 1.660 6.998 1.00 1.54 H new ATOM 0 HA3 GLY A 13 10.260 1.040 7.165 1.00 1.54 H new ATOM 209 N GLY A 14 8.847 -0.558 5.443 1.00 1.39 N ATOM 210 CA GLY A 14 8.442 -1.810 4.737 1.00 1.26 C ATOM 211 C GLY A 14 7.030 -1.644 4.169 1.00 1.10 C ATOM 212 O GLY A 14 6.276 -2.595 4.074 1.00 1.23 O ATOM 0 H GLY A 14 9.164 0.196 4.834 1.00 1.39 H new ATOM 0 HA2 GLY A 14 9.145 -2.030 3.933 1.00 1.26 H new ATOM 0 HA3 GLY A 14 8.471 -2.654 5.426 1.00 1.26 H new ATOM 216 N ILE A 15 6.669 -0.442 3.796 1.00 0.98 N ATOM 217 CA ILE A 15 5.305 -0.202 3.237 1.00 0.85 C ATOM 218 C ILE A 15 5.324 -0.375 1.727 1.00 0.71 C ATOM 219 O ILE A 15 4.640 -1.216 1.180 1.00 0.76 O ATOM 220 CB ILE A 15 4.863 1.226 3.527 1.00 0.84 C ATOM 221 CG1 ILE A 15 5.065 1.555 5.001 1.00 1.11 C ATOM 222 CG2 ILE A 15 3.383 1.379 3.177 1.00 0.83 C ATOM 223 CD1 ILE A 15 4.713 3.020 5.216 1.00 1.32 C ATOM 0 H ILE A 15 7.263 0.385 3.855 1.00 0.98 H new ATOM 0 HA ILE A 15 4.622 -0.915 3.698 1.00 0.85 H new ATOM 0 HB ILE A 15 5.462 1.909 2.925 1.00 0.84 H new ATOM 0 HG12 ILE A 15 4.435 0.918 5.622 1.00 1.11 H new ATOM 0 HG13 ILE A 15 6.098 1.366 5.294 1.00 1.11 H new ATOM 0 HG21 ILE A 15 3.064 2.401 3.384 1.00 0.83 H new ATOM 0 HG22 ILE A 15 3.235 1.159 2.120 1.00 0.83 H new ATOM 0 HG23 ILE A 15 2.794 0.686 3.778 1.00 0.83 H new ATOM 0 HD11 ILE A 15 4.851 3.277 6.266 1.00 1.32 H new ATOM 0 HD12 ILE A 15 5.362 3.644 4.602 1.00 1.32 H new ATOM 0 HD13 ILE A 15 3.674 3.190 4.934 1.00 1.32 H new ATOM 235 N THR A 16 6.083 0.448 1.050 1.00 0.71 N ATOM 236 CA THR A 16 6.131 0.369 -0.432 1.00 0.74 C ATOM 237 C THR A 16 6.763 -0.956 -0.890 1.00 0.81 C ATOM 238 O THR A 16 6.713 -1.291 -2.056 1.00 0.85 O ATOM 239 CB THR A 16 6.945 1.539 -0.997 1.00 0.84 C ATOM 240 OG1 THR A 16 7.189 1.315 -2.379 1.00 1.02 O ATOM 241 CG2 THR A 16 8.278 1.654 -0.258 1.00 0.89 C ATOM 0 H THR A 16 6.671 1.171 1.465 1.00 0.71 H new ATOM 0 HA THR A 16 5.108 0.420 -0.805 1.00 0.74 H new ATOM 0 HB THR A 16 6.384 2.464 -0.865 1.00 0.84 H new ATOM 0 HG1 THR A 16 7.350 0.360 -2.532 1.00 1.02 H new ATOM 0 HG21 THR A 16 8.849 2.488 -0.666 1.00 0.89 H new ATOM 0 HG22 THR A 16 8.093 1.826 0.802 1.00 0.89 H new ATOM 0 HG23 THR A 16 8.844 0.731 -0.383 1.00 0.89 H new ATOM 249 N ASP A 17 7.365 -1.706 0.005 1.00 0.87 N ATOM 250 CA ASP A 17 7.996 -2.996 -0.400 1.00 0.98 C ATOM 251 C ASP A 17 6.913 -4.061 -0.608 1.00 0.89 C ATOM 252 O ASP A 17 6.834 -4.681 -1.652 1.00 0.92 O ATOM 253 CB ASP A 17 8.959 -3.458 0.695 1.00 1.14 C ATOM 254 CG ASP A 17 10.092 -4.274 0.071 1.00 2.20 C ATOM 255 OD1 ASP A 17 10.956 -3.675 -0.547 1.00 2.43 O ATOM 256 OD2 ASP A 17 10.075 -5.485 0.221 1.00 3.60 O ATOM 0 H ASP A 17 7.444 -1.477 0.996 1.00 0.87 H new ATOM 0 HA ASP A 17 8.543 -2.851 -1.332 1.00 0.98 H new ATOM 0 HB2 ASP A 17 9.366 -2.596 1.223 1.00 1.14 H new ATOM 0 HB3 ASP A 17 8.427 -4.060 1.431 1.00 1.14 H new ATOM 261 N MET A 18 6.083 -4.277 0.382 1.00 0.84 N ATOM 262 CA MET A 18 5.005 -5.305 0.255 1.00 0.82 C ATOM 263 C MET A 18 3.844 -4.757 -0.586 1.00 0.70 C ATOM 264 O MET A 18 3.069 -5.514 -1.148 1.00 0.68 O ATOM 265 CB MET A 18 4.493 -5.674 1.649 1.00 0.90 C ATOM 266 CG MET A 18 5.544 -6.514 2.374 1.00 1.28 C ATOM 267 SD MET A 18 4.737 -7.537 3.632 1.00 2.10 S ATOM 268 CE MET A 18 6.219 -8.401 4.207 1.00 2.37 C ATOM 0 H MET A 18 6.106 -3.784 1.275 1.00 0.84 H new ATOM 0 HA MET A 18 5.412 -6.188 -0.237 1.00 0.82 H new ATOM 0 HB2 MET A 18 4.278 -4.771 2.220 1.00 0.90 H new ATOM 0 HB3 MET A 18 3.559 -6.231 1.569 1.00 0.90 H new ATOM 0 HG2 MET A 18 6.075 -7.146 1.662 1.00 1.28 H new ATOM 0 HG3 MET A 18 6.286 -5.865 2.839 1.00 1.28 H new ATOM 0 HE1 MET A 18 5.949 -9.098 5.001 1.00 2.37 H new ATOM 0 HE2 MET A 18 6.665 -8.951 3.378 1.00 2.37 H new ATOM 0 HE3 MET A 18 6.937 -7.676 4.589 1.00 2.37 H new ATOM 278 N LEU A 19 3.729 -3.455 -0.701 1.00 0.69 N ATOM 279 CA LEU A 19 2.634 -2.870 -1.520 1.00 0.66 C ATOM 280 C LEU A 19 3.029 -3.042 -2.980 1.00 0.65 C ATOM 281 O LEU A 19 2.284 -3.551 -3.803 1.00 0.70 O ATOM 282 CB LEU A 19 2.478 -1.383 -1.189 1.00 0.69 C ATOM 283 CG LEU A 19 0.995 -0.989 -1.284 1.00 0.56 C ATOM 284 CD1 LEU A 19 0.620 -0.097 -0.099 1.00 1.64 C ATOM 285 CD2 LEU A 19 0.749 -0.228 -2.586 1.00 1.71 C ATOM 0 H LEU A 19 4.350 -2.776 -0.260 1.00 0.69 H new ATOM 0 HA LEU A 19 1.684 -3.364 -1.316 1.00 0.66 H new ATOM 0 HB2 LEU A 19 2.855 -1.181 -0.186 1.00 0.69 H new ATOM 0 HB3 LEU A 19 3.070 -0.782 -1.879 1.00 0.69 H new ATOM 0 HG LEU A 19 0.384 -1.891 -1.267 1.00 0.56 H new ATOM 0 HD11 LEU A 19 -0.432 0.180 -0.170 1.00 1.64 H new ATOM 0 HD12 LEU A 19 0.790 -0.638 0.832 1.00 1.64 H new ATOM 0 HD13 LEU A 19 1.234 0.804 -0.113 1.00 1.64 H new ATOM 0 HD21 LEU A 19 -0.303 0.050 -2.652 1.00 1.71 H new ATOM 0 HD22 LEU A 19 1.364 0.672 -2.603 1.00 1.71 H new ATOM 0 HD23 LEU A 19 1.010 -0.862 -3.433 1.00 1.71 H new ATOM 297 N VAL A 20 4.235 -2.652 -3.282 1.00 0.62 N ATOM 298 CA VAL A 20 4.763 -2.804 -4.656 1.00 0.65 C ATOM 299 C VAL A 20 4.965 -4.302 -4.956 1.00 0.66 C ATOM 300 O VAL A 20 5.164 -4.681 -6.092 1.00 0.66 O ATOM 301 CB VAL A 20 6.096 -2.053 -4.750 1.00 0.66 C ATOM 302 CG1 VAL A 20 6.729 -2.270 -6.122 1.00 0.74 C ATOM 303 CG2 VAL A 20 5.846 -0.556 -4.546 1.00 0.65 C ATOM 0 H VAL A 20 4.884 -2.228 -2.620 1.00 0.62 H new ATOM 0 HA VAL A 20 4.065 -2.393 -5.385 1.00 0.65 H new ATOM 0 HB VAL A 20 6.771 -2.430 -3.981 1.00 0.66 H new ATOM 0 HG11 VAL A 20 7.675 -1.731 -6.176 1.00 0.74 H new ATOM 0 HG12 VAL A 20 6.908 -3.334 -6.276 1.00 0.74 H new ATOM 0 HG13 VAL A 20 6.056 -1.900 -6.896 1.00 0.74 H new ATOM 0 HG21 VAL A 20 6.791 -0.017 -4.612 1.00 0.65 H new ATOM 0 HG22 VAL A 20 5.166 -0.192 -5.317 1.00 0.65 H new ATOM 0 HG23 VAL A 20 5.402 -0.392 -3.564 1.00 0.65 H new ATOM 313 N GLU A 21 4.913 -5.155 -3.950 1.00 0.76 N ATOM 314 CA GLU A 21 5.090 -6.615 -4.191 1.00 0.80 C ATOM 315 C GLU A 21 3.838 -7.152 -4.884 1.00 0.71 C ATOM 316 O GLU A 21 3.917 -7.864 -5.876 1.00 0.67 O ATOM 317 CB GLU A 21 5.287 -7.335 -2.855 1.00 0.98 C ATOM 318 CG GLU A 21 5.886 -8.720 -3.103 1.00 1.61 C ATOM 319 CD GLU A 21 6.364 -9.315 -1.777 1.00 2.16 C ATOM 320 OE1 GLU A 21 5.574 -9.350 -0.847 1.00 3.42 O ATOM 321 OE2 GLU A 21 7.510 -9.727 -1.713 1.00 2.48 O ATOM 0 H GLU A 21 4.755 -4.894 -2.977 1.00 0.76 H new ATOM 0 HA GLU A 21 5.964 -6.786 -4.819 1.00 0.80 H new ATOM 0 HB2 GLU A 21 5.945 -6.753 -2.210 1.00 0.98 H new ATOM 0 HB3 GLU A 21 4.333 -7.428 -2.336 1.00 0.98 H new ATOM 0 HG2 GLU A 21 5.142 -9.373 -3.560 1.00 1.61 H new ATOM 0 HG3 GLU A 21 6.719 -8.648 -3.802 1.00 1.61 H new ATOM 328 N LEU A 22 2.670 -6.807 -4.382 1.00 0.77 N ATOM 329 CA LEU A 22 1.414 -7.288 -5.032 1.00 0.80 C ATOM 330 C LEU A 22 1.371 -6.760 -6.464 1.00 0.67 C ATOM 331 O LEU A 22 0.944 -7.445 -7.370 1.00 0.70 O ATOM 332 CB LEU A 22 0.180 -6.798 -4.271 1.00 1.07 C ATOM 333 CG LEU A 22 -0.972 -7.786 -4.500 1.00 1.13 C ATOM 334 CD1 LEU A 22 -2.179 -7.375 -3.670 1.00 1.76 C ATOM 335 CD2 LEU A 22 -1.371 -7.786 -5.975 1.00 1.94 C ATOM 0 H LEU A 22 2.538 -6.219 -3.559 1.00 0.77 H new ATOM 0 HA LEU A 22 1.407 -8.378 -5.026 1.00 0.80 H new ATOM 0 HB2 LEU A 22 0.401 -6.717 -3.207 1.00 1.07 H new ATOM 0 HB3 LEU A 22 -0.103 -5.803 -4.614 1.00 1.07 H new ATOM 0 HG LEU A 22 -0.641 -8.782 -4.205 1.00 1.13 H new ATOM 0 HD11 LEU A 22 -2.993 -8.080 -3.837 1.00 1.76 H new ATOM 0 HD12 LEU A 22 -1.911 -7.374 -2.613 1.00 1.76 H new ATOM 0 HD13 LEU A 22 -2.499 -6.375 -3.964 1.00 1.76 H new ATOM 0 HD21 LEU A 22 -2.189 -8.489 -6.131 1.00 1.94 H new ATOM 0 HD22 LEU A 22 -1.692 -6.786 -6.265 1.00 1.94 H new ATOM 0 HD23 LEU A 22 -0.517 -8.083 -6.583 1.00 1.94 H new ATOM 347 N ALA A 23 1.837 -5.556 -6.677 1.00 0.64 N ATOM 348 CA ALA A 23 1.851 -5.007 -8.064 1.00 0.68 C ATOM 349 C ALA A 23 2.933 -5.743 -8.865 1.00 0.67 C ATOM 350 O ALA A 23 2.843 -5.878 -10.070 1.00 0.77 O ATOM 351 CB ALA A 23 2.163 -3.512 -8.029 1.00 0.80 C ATOM 0 H ALA A 23 2.205 -4.935 -5.957 1.00 0.64 H new ATOM 0 HA ALA A 23 0.876 -5.149 -8.530 1.00 0.68 H new ATOM 0 HB1 ALA A 23 2.172 -3.118 -9.045 1.00 0.80 H new ATOM 0 HB2 ALA A 23 1.401 -2.995 -7.446 1.00 0.80 H new ATOM 0 HB3 ALA A 23 3.139 -3.355 -7.571 1.00 0.80 H new ATOM 357 N ASN A 24 3.946 -6.235 -8.192 1.00 0.65 N ATOM 358 CA ASN A 24 5.032 -6.982 -8.886 1.00 0.74 C ATOM 359 C ASN A 24 4.618 -8.450 -9.092 1.00 0.77 C ATOM 360 O ASN A 24 5.383 -9.239 -9.610 1.00 0.96 O ATOM 361 CB ASN A 24 6.307 -6.925 -8.040 1.00 0.84 C ATOM 362 CG ASN A 24 7.072 -5.639 -8.361 1.00 1.94 C ATOM 363 OD1 ASN A 24 6.483 -4.648 -8.746 1.00 3.04 O ATOM 364 ND2 ASN A 24 8.368 -5.610 -8.216 1.00 2.51 N ATOM 0 H ASN A 24 4.064 -6.148 -7.183 1.00 0.65 H new ATOM 0 HA ASN A 24 5.214 -6.525 -9.859 1.00 0.74 H new ATOM 0 HB2 ASN A 24 6.055 -6.957 -6.980 1.00 0.84 H new ATOM 0 HB3 ASN A 24 6.932 -7.794 -8.245 1.00 0.84 H new ATOM 0 HD21 ASN A 24 8.886 -4.756 -8.426 1.00 2.51 H new ATOM 0 HD22 ASN A 24 8.864 -6.441 -7.893 1.00 2.51 H new ATOM 371 N PHE A 25 3.409 -8.821 -8.689 1.00 0.69 N ATOM 372 CA PHE A 25 2.913 -10.237 -8.861 1.00 0.78 C ATOM 373 C PHE A 25 3.287 -10.766 -10.259 1.00 0.91 C ATOM 374 O PHE A 25 3.611 -11.924 -10.430 1.00 1.18 O ATOM 375 CB PHE A 25 1.383 -10.241 -8.679 1.00 0.71 C ATOM 376 CG PHE A 25 1.011 -10.934 -7.388 1.00 0.86 C ATOM 377 CD1 PHE A 25 1.632 -10.569 -6.188 1.00 1.71 C ATOM 378 CD2 PHE A 25 0.040 -11.941 -7.394 1.00 2.25 C ATOM 379 CE1 PHE A 25 1.282 -11.210 -4.996 1.00 1.75 C ATOM 380 CE2 PHE A 25 -0.311 -12.584 -6.203 1.00 2.46 C ATOM 381 CZ PHE A 25 0.310 -12.219 -5.002 1.00 1.35 C ATOM 0 H PHE A 25 2.740 -8.192 -8.244 1.00 0.69 H new ATOM 0 HA PHE A 25 3.376 -10.887 -8.119 1.00 0.78 H new ATOM 0 HB2 PHE A 25 1.008 -9.218 -8.672 1.00 0.71 H new ATOM 0 HB3 PHE A 25 0.911 -10.747 -9.521 1.00 0.71 H new ATOM 0 HD1 PHE A 25 2.382 -9.792 -6.183 1.00 1.71 H new ATOM 0 HD2 PHE A 25 -0.439 -12.222 -8.320 1.00 2.25 H new ATOM 0 HE1 PHE A 25 1.761 -10.927 -4.070 1.00 1.75 H new ATOM 0 HE2 PHE A 25 -1.060 -13.362 -6.209 1.00 2.46 H new ATOM 0 HZ PHE A 25 0.040 -12.715 -4.081 1.00 1.35 H new ATOM 391 N GLU A 26 3.285 -9.896 -11.241 1.00 0.92 N ATOM 392 CA GLU A 26 3.682 -10.283 -12.639 1.00 1.19 C ATOM 393 C GLU A 26 3.064 -11.620 -13.074 1.00 1.25 C ATOM 394 O GLU A 26 3.672 -12.369 -13.819 1.00 1.73 O ATOM 395 CB GLU A 26 5.207 -10.395 -12.708 1.00 1.52 C ATOM 396 CG GLU A 26 5.825 -8.995 -12.691 1.00 2.52 C ATOM 397 CD GLU A 26 7.077 -8.977 -13.569 1.00 2.73 C ATOM 398 OE1 GLU A 26 6.992 -9.436 -14.697 1.00 2.82 O ATOM 399 OE2 GLU A 26 8.099 -8.503 -13.101 1.00 3.69 O ATOM 0 H GLU A 26 3.021 -8.917 -11.134 1.00 0.92 H new ATOM 0 HA GLU A 26 3.311 -9.512 -13.314 1.00 1.19 H new ATOM 0 HB2 GLU A 26 5.578 -10.978 -11.865 1.00 1.52 H new ATOM 0 HB3 GLU A 26 5.502 -10.923 -13.615 1.00 1.52 H new ATOM 0 HG2 GLU A 26 5.103 -8.263 -13.054 1.00 2.52 H new ATOM 0 HG3 GLU A 26 6.080 -8.711 -11.670 1.00 2.52 H new ATOM 406 N LYS A 27 1.872 -11.927 -12.631 1.00 1.06 N ATOM 407 CA LYS A 27 1.241 -13.218 -13.042 1.00 1.24 C ATOM 408 C LYS A 27 -0.253 -13.194 -12.728 1.00 1.25 C ATOM 409 O LYS A 27 -1.082 -13.213 -13.619 1.00 1.41 O ATOM 410 CB LYS A 27 1.905 -14.373 -12.286 1.00 1.53 C ATOM 411 CG LYS A 27 1.496 -15.702 -12.925 1.00 1.96 C ATOM 412 CD LYS A 27 2.640 -16.708 -12.786 1.00 2.52 C ATOM 413 CE LYS A 27 2.616 -17.681 -13.968 1.00 3.11 C ATOM 414 NZ LYS A 27 1.917 -18.934 -13.565 1.00 3.79 N ATOM 0 H LYS A 27 1.312 -11.346 -12.008 1.00 1.06 H new ATOM 0 HA LYS A 27 1.376 -13.356 -14.115 1.00 1.24 H new ATOM 0 HB2 LYS A 27 2.989 -14.263 -12.312 1.00 1.53 H new ATOM 0 HB3 LYS A 27 1.607 -14.354 -11.238 1.00 1.53 H new ATOM 0 HG2 LYS A 27 0.598 -16.088 -12.443 1.00 1.96 H new ATOM 0 HG3 LYS A 27 1.255 -15.553 -13.977 1.00 1.96 H new ATOM 0 HD2 LYS A 27 3.596 -16.185 -12.752 1.00 2.52 H new ATOM 0 HD3 LYS A 27 2.544 -17.256 -11.849 1.00 2.52 H new ATOM 0 HE2 LYS A 27 2.108 -17.225 -14.818 1.00 3.11 H new ATOM 0 HE3 LYS A 27 3.633 -17.906 -14.288 1.00 3.11 H new ATOM 0 HZ1 LYS A 27 1.900 -19.596 -14.367 1.00 3.79 H new ATOM 0 HZ2 LYS A 27 2.420 -19.371 -12.767 1.00 3.79 H new ATOM 0 HZ3 LYS A 27 0.942 -18.711 -13.280 1.00 3.79 H new ATOM 428 N ASN A 28 -0.601 -13.161 -11.470 1.00 1.29 N ATOM 429 CA ASN A 28 -2.041 -13.146 -11.086 1.00 1.57 C ATOM 430 C ASN A 28 -2.553 -11.704 -10.977 1.00 1.44 C ATOM 431 O ASN A 28 -3.602 -11.466 -10.408 1.00 1.73 O ATOM 432 CB ASN A 28 -2.203 -13.837 -9.732 1.00 1.84 C ATOM 433 CG ASN A 28 -3.580 -14.499 -9.655 1.00 2.50 C ATOM 434 OD1 ASN A 28 -4.554 -13.862 -9.307 1.00 3.14 O ATOM 435 ND2 ASN A 28 -3.704 -15.760 -9.966 1.00 3.08 N ATOM 0 H ASN A 28 0.054 -13.144 -10.688 1.00 1.29 H new ATOM 0 HA ASN A 28 -2.616 -13.668 -11.850 1.00 1.57 H new ATOM 0 HB2 ASN A 28 -1.421 -14.584 -9.598 1.00 1.84 H new ATOM 0 HB3 ASN A 28 -2.092 -13.111 -8.926 1.00 1.84 H new ATOM 0 HD21 ASN A 28 -4.618 -16.210 -9.917 1.00 3.08 H new ATOM 0 HD22 ASN A 28 -2.887 -16.296 -10.258 1.00 3.08 H new ATOM 442 N VAL A 29 -1.827 -10.737 -11.498 1.00 1.41 N ATOM 443 CA VAL A 29 -2.292 -9.320 -11.393 1.00 1.44 C ATOM 444 C VAL A 29 -1.780 -8.493 -12.581 1.00 1.80 C ATOM 445 O VAL A 29 -2.499 -7.675 -13.124 1.00 2.61 O ATOM 446 CB VAL A 29 -1.769 -8.715 -10.085 1.00 1.06 C ATOM 447 CG1 VAL A 29 -2.360 -7.320 -9.888 1.00 1.23 C ATOM 448 CG2 VAL A 29 -2.188 -9.602 -8.911 1.00 1.16 C ATOM 0 H VAL A 29 -0.941 -10.870 -11.986 1.00 1.41 H new ATOM 0 HA VAL A 29 -3.382 -9.304 -11.403 1.00 1.44 H new ATOM 0 HB VAL A 29 -0.682 -8.648 -10.132 1.00 1.06 H new ATOM 0 HG11 VAL A 29 -1.985 -6.894 -8.957 1.00 1.23 H new ATOM 0 HG12 VAL A 29 -2.070 -6.681 -10.722 1.00 1.23 H new ATOM 0 HG13 VAL A 29 -3.447 -7.388 -9.844 1.00 1.23 H new ATOM 0 HG21 VAL A 29 -1.817 -9.173 -7.980 1.00 1.16 H new ATOM 0 HG22 VAL A 29 -3.275 -9.666 -8.873 1.00 1.16 H new ATOM 0 HG23 VAL A 29 -1.771 -10.600 -9.042 1.00 1.16 H new ATOM 458 N SER A 30 -0.545 -8.683 -12.977 1.00 2.06 N ATOM 459 CA SER A 30 0.019 -7.894 -14.119 1.00 2.67 C ATOM 460 C SER A 30 -0.867 -8.033 -15.364 1.00 2.80 C ATOM 461 O SER A 30 -0.787 -9.004 -16.092 1.00 3.46 O ATOM 462 CB SER A 30 1.426 -8.401 -14.439 1.00 3.38 C ATOM 463 OG SER A 30 2.379 -7.568 -13.791 1.00 4.66 O ATOM 0 H SER A 30 0.100 -9.353 -12.557 1.00 2.06 H new ATOM 0 HA SER A 30 0.057 -6.843 -13.833 1.00 2.67 H new ATOM 0 HB2 SER A 30 1.539 -9.432 -14.105 1.00 3.38 H new ATOM 0 HB3 SER A 30 1.592 -8.395 -15.516 1.00 3.38 H new ATOM 0 HG SER A 30 3.206 -7.547 -14.316 1.00 4.66 H new ATOM 469 N GLN A 31 -1.705 -7.056 -15.613 1.00 3.31 N ATOM 470 CA GLN A 31 -2.601 -7.102 -16.811 1.00 3.82 C ATOM 471 C GLN A 31 -3.534 -5.885 -16.780 1.00 4.20 C ATOM 472 O GLN A 31 -3.350 -4.931 -17.511 1.00 5.48 O ATOM 473 CB GLN A 31 -3.435 -8.397 -16.795 1.00 4.50 C ATOM 474 CG GLN A 31 -3.217 -9.173 -18.098 1.00 4.85 C ATOM 475 CD GLN A 31 -3.597 -10.640 -17.889 1.00 5.10 C ATOM 476 OE1 GLN A 31 -2.809 -11.418 -17.391 1.00 5.62 O ATOM 477 NE2 GLN A 31 -4.781 -11.052 -18.251 1.00 5.62 N ATOM 0 H GLN A 31 -1.807 -6.223 -15.034 1.00 3.31 H new ATOM 0 HA GLN A 31 -1.999 -7.084 -17.719 1.00 3.82 H new ATOM 0 HB2 GLN A 31 -3.150 -9.013 -15.942 1.00 4.50 H new ATOM 0 HB3 GLN A 31 -4.492 -8.158 -16.676 1.00 4.50 H new ATOM 0 HG2 GLN A 31 -3.820 -8.740 -18.896 1.00 4.85 H new ATOM 0 HG3 GLN A 31 -2.175 -9.097 -18.409 1.00 4.85 H new ATOM 0 HE21 GLN A 31 -5.443 -10.398 -18.669 1.00 5.62 H new ATOM 0 HE22 GLN A 31 -5.045 -12.028 -18.116 1.00 5.62 H new ATOM 486 N ALA A 32 -4.531 -5.918 -15.933 1.00 3.54 N ATOM 487 CA ALA A 32 -5.491 -4.777 -15.829 1.00 4.00 C ATOM 488 C ALA A 32 -6.588 -5.160 -14.831 1.00 3.00 C ATOM 489 O ALA A 32 -7.760 -5.207 -15.160 1.00 3.49 O ATOM 490 CB ALA A 32 -6.116 -4.488 -17.200 1.00 5.30 C ATOM 0 H ALA A 32 -4.723 -6.696 -15.302 1.00 3.54 H new ATOM 0 HA ALA A 32 -4.969 -3.882 -15.491 1.00 4.00 H new ATOM 0 HB1 ALA A 32 -6.814 -3.655 -17.113 1.00 5.30 H new ATOM 0 HB2 ALA A 32 -5.331 -4.231 -17.911 1.00 5.30 H new ATOM 0 HB3 ALA A 32 -6.648 -5.372 -17.551 1.00 5.30 H new ATOM 496 N ILE A 33 -6.207 -5.450 -13.614 1.00 2.22 N ATOM 497 CA ILE A 33 -7.213 -5.852 -12.582 1.00 1.87 C ATOM 498 C ILE A 33 -7.715 -4.610 -11.840 1.00 2.06 C ATOM 499 O ILE A 33 -7.019 -3.618 -11.735 1.00 2.78 O ATOM 500 CB ILE A 33 -6.591 -6.827 -11.559 1.00 2.60 C ATOM 501 CG1 ILE A 33 -5.487 -7.698 -12.193 1.00 2.87 C ATOM 502 CG2 ILE A 33 -7.680 -7.741 -11.010 1.00 3.47 C ATOM 503 CD1 ILE A 33 -6.036 -8.452 -13.408 1.00 2.95 C ATOM 0 H ILE A 33 -5.241 -5.426 -13.288 1.00 2.22 H new ATOM 0 HA ILE A 33 -8.041 -6.348 -13.088 1.00 1.87 H new ATOM 0 HB ILE A 33 -6.143 -6.232 -10.763 1.00 2.60 H new ATOM 0 HG12 ILE A 33 -4.648 -7.071 -12.494 1.00 2.87 H new ATOM 0 HG13 ILE A 33 -5.107 -8.407 -11.458 1.00 2.87 H new ATOM 0 HG21 ILE A 33 -7.245 -8.431 -10.287 1.00 3.47 H new ATOM 0 HG22 ILE A 33 -8.447 -7.140 -10.522 1.00 3.47 H new ATOM 0 HG23 ILE A 33 -8.127 -8.306 -11.828 1.00 3.47 H new ATOM 0 HD11 ILE A 33 -5.246 -9.062 -13.845 1.00 2.95 H new ATOM 0 HD12 ILE A 33 -6.860 -9.094 -13.096 1.00 2.95 H new ATOM 0 HD13 ILE A 33 -6.394 -7.737 -14.149 1.00 2.95 H new ATOM 515 N HIS A 34 -8.916 -4.664 -11.317 1.00 2.04 N ATOM 516 CA HIS A 34 -9.465 -3.493 -10.569 1.00 2.30 C ATOM 517 C HIS A 34 -8.709 -3.356 -9.246 1.00 1.97 C ATOM 518 O HIS A 34 -8.303 -2.274 -8.863 1.00 2.28 O ATOM 519 CB HIS A 34 -10.959 -3.701 -10.296 1.00 2.99 C ATOM 520 CG HIS A 34 -11.177 -5.038 -9.640 1.00 3.16 C ATOM 521 ND1 HIS A 34 -11.112 -5.207 -8.267 1.00 4.31 N ATOM 522 CD2 HIS A 34 -11.461 -6.278 -10.157 1.00 3.07 C ATOM 523 CE1 HIS A 34 -11.352 -6.505 -8.005 1.00 4.48 C ATOM 524 NE2 HIS A 34 -11.570 -7.203 -9.123 1.00 3.77 N ATOM 0 H HIS A 34 -9.539 -5.469 -11.377 1.00 2.04 H new ATOM 0 HA HIS A 34 -9.342 -2.586 -11.161 1.00 2.30 H new ATOM 0 HB2 HIS A 34 -11.335 -2.905 -9.653 1.00 2.99 H new ATOM 0 HB3 HIS A 34 -11.519 -3.648 -11.229 1.00 2.99 H new ATOM 0 HD2 HIS A 34 -11.581 -6.501 -11.207 1.00 3.07 H new ATOM 0 HE1 HIS A 34 -11.367 -6.930 -7.012 1.00 4.48 H new ATOM 0 HE2 HIS A 34 -11.773 -8.200 -9.202 1.00 3.77 H new ATOM 532 N LYS A 35 -8.498 -4.451 -8.559 1.00 1.70 N ATOM 533 CA LYS A 35 -7.745 -4.403 -7.271 1.00 1.48 C ATOM 534 C LYS A 35 -6.258 -4.157 -7.564 1.00 1.24 C ATOM 535 O LYS A 35 -5.520 -3.684 -6.722 1.00 1.19 O ATOM 536 CB LYS A 35 -7.908 -5.737 -6.538 1.00 1.42 C ATOM 537 CG LYS A 35 -7.841 -5.507 -5.029 1.00 2.77 C ATOM 538 CD LYS A 35 -8.079 -6.832 -4.300 1.00 2.74 C ATOM 539 CE LYS A 35 -8.725 -6.559 -2.941 1.00 4.06 C ATOM 540 NZ LYS A 35 -8.581 -7.763 -2.073 1.00 4.62 N ATOM 0 H LYS A 35 -8.817 -5.379 -8.837 1.00 1.70 H new ATOM 0 HA LYS A 35 -8.133 -3.597 -6.648 1.00 1.48 H new ATOM 0 HB2 LYS A 35 -8.861 -6.195 -6.804 1.00 1.42 H new ATOM 0 HB3 LYS A 35 -7.125 -6.430 -6.845 1.00 1.42 H new ATOM 0 HG2 LYS A 35 -6.868 -5.099 -4.755 1.00 2.77 H new ATOM 0 HG3 LYS A 35 -8.590 -4.774 -4.728 1.00 2.77 H new ATOM 0 HD2 LYS A 35 -8.723 -7.477 -4.897 1.00 2.74 H new ATOM 0 HD3 LYS A 35 -7.135 -7.360 -4.166 1.00 2.74 H new ATOM 0 HE2 LYS A 35 -8.253 -5.698 -2.468 1.00 4.06 H new ATOM 0 HE3 LYS A 35 -9.779 -6.314 -3.070 1.00 4.06 H new ATOM 0 HZ1 LYS A 35 -9.020 -7.579 -1.148 1.00 4.62 H new ATOM 0 HZ2 LYS A 35 -9.051 -8.574 -2.524 1.00 4.62 H new ATOM 0 HZ3 LYS A 35 -7.572 -7.977 -1.941 1.00 4.62 H new ATOM 554 N TYR A 36 -5.820 -4.474 -8.759 1.00 1.20 N ATOM 555 CA TYR A 36 -4.394 -4.267 -9.137 1.00 1.03 C ATOM 556 C TYR A 36 -4.060 -2.771 -9.037 1.00 0.90 C ATOM 557 O TYR A 36 -3.092 -2.386 -8.405 1.00 0.98 O ATOM 558 CB TYR A 36 -4.199 -4.789 -10.576 1.00 1.15 C ATOM 559 CG TYR A 36 -2.851 -4.396 -11.146 1.00 1.12 C ATOM 560 CD1 TYR A 36 -1.700 -4.436 -10.348 1.00 2.05 C ATOM 561 CD2 TYR A 36 -2.759 -4.006 -12.485 1.00 1.97 C ATOM 562 CE1 TYR A 36 -0.462 -4.083 -10.890 1.00 2.06 C ATOM 563 CE2 TYR A 36 -1.522 -3.654 -13.029 1.00 2.10 C ATOM 564 CZ TYR A 36 -0.370 -3.693 -12.232 1.00 1.36 C ATOM 565 OH TYR A 36 0.854 -3.346 -12.769 1.00 1.57 O ATOM 0 H TYR A 36 -6.402 -4.873 -9.496 1.00 1.20 H new ATOM 0 HA TYR A 36 -3.725 -4.808 -8.468 1.00 1.03 H new ATOM 0 HB2 TYR A 36 -4.293 -5.875 -10.583 1.00 1.15 H new ATOM 0 HB3 TYR A 36 -4.991 -4.396 -11.214 1.00 1.15 H new ATOM 0 HD1 TYR A 36 -1.770 -4.740 -9.314 1.00 2.05 H new ATOM 0 HD2 TYR A 36 -3.646 -3.977 -13.100 1.00 1.97 H new ATOM 0 HE1 TYR A 36 0.425 -4.111 -10.274 1.00 2.06 H new ATOM 0 HE2 TYR A 36 -1.453 -3.352 -14.064 1.00 2.10 H new ATOM 0 HH TYR A 36 0.740 -3.102 -13.711 1.00 1.57 H new ATOM 575 N ASN A 37 -4.860 -1.930 -9.643 1.00 0.78 N ATOM 576 CA ASN A 37 -4.601 -0.461 -9.573 1.00 0.71 C ATOM 577 C ASN A 37 -4.697 0.016 -8.115 1.00 0.65 C ATOM 578 O ASN A 37 -4.228 1.083 -7.775 1.00 0.62 O ATOM 579 CB ASN A 37 -5.642 0.279 -10.417 1.00 0.80 C ATOM 580 CG ASN A 37 -5.560 -0.199 -11.867 1.00 1.67 C ATOM 581 OD1 ASN A 37 -4.575 0.031 -12.540 1.00 2.59 O ATOM 582 ND2 ASN A 37 -6.561 -0.861 -12.380 1.00 2.86 N ATOM 0 H ASN A 37 -5.682 -2.199 -10.184 1.00 0.78 H new ATOM 0 HA ASN A 37 -3.602 -0.254 -9.955 1.00 0.71 H new ATOM 0 HB2 ASN A 37 -6.641 0.099 -10.020 1.00 0.80 H new ATOM 0 HB3 ASN A 37 -5.468 1.354 -10.367 1.00 0.80 H new ATOM 0 HD21 ASN A 37 -6.516 -1.185 -13.346 1.00 2.86 H new ATOM 0 HD22 ASN A 37 -7.388 -1.054 -11.815 1.00 2.86 H new ATOM 589 N ALA A 38 -5.309 -0.764 -7.255 1.00 0.72 N ATOM 590 CA ALA A 38 -5.448 -0.362 -5.824 1.00 0.74 C ATOM 591 C ALA A 38 -4.068 -0.251 -5.165 1.00 0.64 C ATOM 592 O ALA A 38 -3.832 0.618 -4.347 1.00 0.63 O ATOM 593 CB ALA A 38 -6.276 -1.423 -5.090 1.00 0.90 C ATOM 0 H ALA A 38 -5.720 -1.668 -7.488 1.00 0.72 H new ATOM 0 HA ALA A 38 -5.942 0.608 -5.769 1.00 0.74 H new ATOM 0 HB1 ALA A 38 -6.384 -1.140 -4.043 1.00 0.90 H new ATOM 0 HB2 ALA A 38 -7.262 -1.497 -5.550 1.00 0.90 H new ATOM 0 HB3 ALA A 38 -5.772 -2.387 -5.155 1.00 0.90 H new ATOM 599 N TYR A 39 -3.164 -1.134 -5.502 1.00 0.64 N ATOM 600 CA TYR A 39 -1.800 -1.094 -4.874 1.00 0.63 C ATOM 601 C TYR A 39 -0.877 -0.189 -5.693 1.00 0.54 C ATOM 602 O TYR A 39 0.105 0.319 -5.188 1.00 0.52 O ATOM 603 CB TYR A 39 -1.164 -2.504 -4.791 1.00 0.76 C ATOM 604 CG TYR A 39 -2.212 -3.590 -4.887 1.00 0.74 C ATOM 605 CD1 TYR A 39 -3.156 -3.745 -3.869 1.00 1.88 C ATOM 606 CD2 TYR A 39 -2.241 -4.429 -6.005 1.00 1.39 C ATOM 607 CE1 TYR A 39 -4.132 -4.741 -3.967 1.00 1.85 C ATOM 608 CE2 TYR A 39 -3.213 -5.427 -6.105 1.00 1.44 C ATOM 609 CZ TYR A 39 -4.162 -5.585 -5.086 1.00 0.77 C ATOM 610 OH TYR A 39 -5.124 -6.569 -5.184 1.00 0.82 O ATOM 0 H TYR A 39 -3.306 -1.881 -6.182 1.00 0.64 H new ATOM 0 HA TYR A 39 -1.919 -0.706 -3.863 1.00 0.63 H new ATOM 0 HB2 TYR A 39 -0.438 -2.625 -5.595 1.00 0.76 H new ATOM 0 HB3 TYR A 39 -0.619 -2.604 -3.852 1.00 0.76 H new ATOM 0 HD1 TYR A 39 -3.132 -3.096 -3.006 1.00 1.88 H new ATOM 0 HD2 TYR A 39 -1.511 -4.305 -6.792 1.00 1.39 H new ATOM 0 HE1 TYR A 39 -4.863 -4.860 -3.181 1.00 1.85 H new ATOM 0 HE2 TYR A 39 -3.233 -6.077 -6.967 1.00 1.44 H new ATOM 0 HH TYR A 39 -5.003 -7.063 -6.022 1.00 0.82 H new ATOM 620 N ARG A 40 -1.174 0.006 -6.950 1.00 0.55 N ATOM 621 CA ARG A 40 -0.308 0.871 -7.798 1.00 0.55 C ATOM 622 C ARG A 40 -0.434 2.327 -7.332 1.00 0.48 C ATOM 623 O ARG A 40 0.544 3.046 -7.240 1.00 0.52 O ATOM 624 CB ARG A 40 -0.754 0.742 -9.260 1.00 0.65 C ATOM 625 CG ARG A 40 0.468 0.527 -10.159 1.00 1.17 C ATOM 626 CD ARG A 40 1.384 1.754 -10.096 1.00 0.95 C ATOM 627 NE ARG A 40 1.901 2.076 -11.471 1.00 1.59 N ATOM 628 CZ ARG A 40 2.513 1.182 -12.220 1.00 2.28 C ATOM 629 NH1 ARG A 40 2.890 0.025 -11.734 1.00 2.97 N ATOM 630 NH2 ARG A 40 2.807 1.481 -13.456 1.00 3.32 N ATOM 0 H ARG A 40 -1.981 -0.398 -7.426 1.00 0.55 H new ATOM 0 HA ARG A 40 0.733 0.561 -7.711 1.00 0.55 H new ATOM 0 HB2 ARG A 40 -1.446 -0.093 -9.366 1.00 0.65 H new ATOM 0 HB3 ARG A 40 -1.289 1.641 -9.567 1.00 0.65 H new ATOM 0 HG2 ARG A 40 1.013 -0.361 -9.840 1.00 1.17 H new ATOM 0 HG3 ARG A 40 0.148 0.353 -11.187 1.00 1.17 H new ATOM 0 HD2 ARG A 40 0.837 2.607 -9.694 1.00 0.95 H new ATOM 0 HD3 ARG A 40 2.217 1.563 -9.420 1.00 0.95 H new ATOM 0 HE ARG A 40 1.773 3.020 -11.836 1.00 1.59 H new ATOM 0 HH11 ARG A 40 2.711 -0.200 -10.755 1.00 2.97 H new ATOM 0 HH12 ARG A 40 3.362 -0.651 -12.334 1.00 2.97 H new ATOM 0 HH21 ARG A 40 2.563 2.398 -13.831 1.00 3.32 H new ATOM 0 HH22 ARG A 40 3.281 0.798 -14.047 1.00 3.32 H new ATOM 644 N LYS A 41 -1.633 2.759 -7.033 1.00 0.52 N ATOM 645 CA LYS A 41 -1.836 4.162 -6.568 1.00 0.56 C ATOM 646 C LYS A 41 -1.382 4.288 -5.111 1.00 0.55 C ATOM 647 O LYS A 41 -0.670 5.208 -4.754 1.00 0.62 O ATOM 648 CB LYS A 41 -3.318 4.526 -6.673 1.00 0.69 C ATOM 649 CG LYS A 41 -3.759 4.459 -8.137 1.00 1.35 C ATOM 650 CD LYS A 41 -5.270 4.683 -8.227 1.00 1.87 C ATOM 651 CE LYS A 41 -5.738 4.448 -9.665 1.00 2.86 C ATOM 652 NZ LYS A 41 -5.761 5.745 -10.398 1.00 3.06 N ATOM 0 H LYS A 41 -2.482 2.197 -7.092 1.00 0.52 H new ATOM 0 HA LYS A 41 -1.251 4.838 -7.191 1.00 0.56 H new ATOM 0 HB2 LYS A 41 -3.915 3.841 -6.071 1.00 0.69 H new ATOM 0 HB3 LYS A 41 -3.486 5.528 -6.277 1.00 0.69 H new ATOM 0 HG2 LYS A 41 -3.233 5.215 -8.721 1.00 1.35 H new ATOM 0 HG3 LYS A 41 -3.499 3.490 -8.562 1.00 1.35 H new ATOM 0 HD2 LYS A 41 -5.789 4.005 -7.549 1.00 1.87 H new ATOM 0 HD3 LYS A 41 -5.517 5.698 -7.915 1.00 1.87 H new ATOM 0 HE2 LYS A 41 -5.071 3.747 -10.166 1.00 2.86 H new ATOM 0 HE3 LYS A 41 -6.731 3.999 -9.667 1.00 2.86 H new ATOM 0 HZ1 LYS A 41 -6.079 5.586 -11.375 1.00 3.06 H new ATOM 0 HZ2 LYS A 41 -6.415 6.400 -9.924 1.00 3.06 H new ATOM 0 HZ3 LYS A 41 -4.805 6.155 -10.407 1.00 3.06 H new ATOM 666 N ALA A 42 -1.786 3.367 -4.270 1.00 0.56 N ATOM 667 CA ALA A 42 -1.378 3.427 -2.834 1.00 0.60 C ATOM 668 C ALA A 42 0.143 3.355 -2.722 1.00 0.52 C ATOM 669 O ALA A 42 0.718 3.834 -1.772 1.00 0.71 O ATOM 670 CB ALA A 42 -2.000 2.252 -2.073 1.00 0.68 C ATOM 0 H ALA A 42 -2.381 2.576 -4.517 1.00 0.56 H new ATOM 0 HA ALA A 42 -1.727 4.366 -2.404 1.00 0.60 H new ATOM 0 HB1 ALA A 42 -1.701 2.298 -1.026 1.00 0.68 H new ATOM 0 HB2 ALA A 42 -3.086 2.307 -2.143 1.00 0.68 H new ATOM 0 HB3 ALA A 42 -1.656 1.314 -2.508 1.00 0.68 H new ATOM 676 N ALA A 43 0.794 2.766 -3.689 1.00 0.52 N ATOM 677 CA ALA A 43 2.280 2.659 -3.647 1.00 0.55 C ATOM 678 C ALA A 43 2.903 4.024 -3.942 1.00 0.51 C ATOM 679 O ALA A 43 3.884 4.408 -3.335 1.00 0.50 O ATOM 680 CB ALA A 43 2.730 1.656 -4.703 1.00 0.73 C ATOM 0 H ALA A 43 0.356 2.352 -4.512 1.00 0.52 H new ATOM 0 HA ALA A 43 2.598 2.328 -2.659 1.00 0.55 H new ATOM 0 HB1 ALA A 43 3.816 1.569 -4.682 1.00 0.73 H new ATOM 0 HB2 ALA A 43 2.284 0.684 -4.495 1.00 0.73 H new ATOM 0 HB3 ALA A 43 2.412 1.998 -5.688 1.00 0.73 H new ATOM 686 N SER A 44 2.344 4.755 -4.871 1.00 0.62 N ATOM 687 CA SER A 44 2.904 6.095 -5.211 1.00 0.68 C ATOM 688 C SER A 44 2.732 7.047 -4.022 1.00 0.60 C ATOM 689 O SER A 44 3.548 7.920 -3.796 1.00 0.65 O ATOM 690 CB SER A 44 2.168 6.660 -6.425 1.00 0.86 C ATOM 691 OG SER A 44 1.951 5.619 -7.368 1.00 1.73 O ATOM 0 H SER A 44 1.522 4.480 -5.409 1.00 0.62 H new ATOM 0 HA SER A 44 3.965 5.994 -5.440 1.00 0.68 H new ATOM 0 HB2 SER A 44 1.216 7.093 -6.118 1.00 0.86 H new ATOM 0 HB3 SER A 44 2.752 7.461 -6.878 1.00 0.86 H new ATOM 0 HG SER A 44 1.477 5.977 -8.148 1.00 1.73 H new ATOM 697 N VAL A 45 1.671 6.889 -3.268 1.00 0.55 N ATOM 698 CA VAL A 45 1.438 7.792 -2.098 1.00 0.54 C ATOM 699 C VAL A 45 2.073 7.209 -0.821 1.00 0.50 C ATOM 700 O VAL A 45 2.233 7.912 0.158 1.00 0.64 O ATOM 701 CB VAL A 45 -0.073 8.000 -1.896 1.00 0.58 C ATOM 702 CG1 VAL A 45 -0.752 6.674 -1.539 1.00 0.55 C ATOM 703 CG2 VAL A 45 -0.307 9.005 -0.765 1.00 0.63 C ATOM 0 H VAL A 45 0.957 6.175 -3.412 1.00 0.55 H new ATOM 0 HA VAL A 45 1.909 8.754 -2.300 1.00 0.54 H new ATOM 0 HB VAL A 45 -0.499 8.380 -2.824 1.00 0.58 H new ATOM 0 HG11 VAL A 45 -1.820 6.838 -1.399 1.00 0.55 H new ATOM 0 HG12 VAL A 45 -0.597 5.957 -2.346 1.00 0.55 H new ATOM 0 HG13 VAL A 45 -0.322 6.281 -0.618 1.00 0.55 H new ATOM 0 HG21 VAL A 45 -1.378 9.151 -0.624 1.00 0.63 H new ATOM 0 HG22 VAL A 45 0.132 8.624 0.157 1.00 0.63 H new ATOM 0 HG23 VAL A 45 0.158 9.957 -1.022 1.00 0.63 H new ATOM 713 N ILE A 46 2.434 5.945 -0.818 1.00 0.54 N ATOM 714 CA ILE A 46 3.058 5.344 0.405 1.00 0.64 C ATOM 715 C ILE A 46 4.545 5.734 0.435 1.00 0.54 C ATOM 716 O ILE A 46 5.054 6.198 1.438 1.00 0.60 O ATOM 717 CB ILE A 46 2.841 3.798 0.383 1.00 0.97 C ATOM 718 CG1 ILE A 46 1.727 3.433 1.374 1.00 0.97 C ATOM 719 CG2 ILE A 46 4.108 3.009 0.772 1.00 2.05 C ATOM 720 CD1 ILE A 46 0.403 4.050 0.925 1.00 1.26 C ATOM 0 H ILE A 46 2.324 5.307 -1.606 1.00 0.54 H new ATOM 0 HA ILE A 46 2.595 5.721 1.317 1.00 0.64 H new ATOM 0 HB ILE A 46 2.578 3.528 -0.640 1.00 0.97 H new ATOM 0 HG12 ILE A 46 1.629 2.349 1.440 1.00 0.97 H new ATOM 0 HG13 ILE A 46 1.985 3.791 2.371 1.00 0.97 H new ATOM 0 HG21 ILE A 46 3.896 1.940 0.739 1.00 2.05 H new ATOM 0 HG22 ILE A 46 4.911 3.241 0.072 1.00 2.05 H new ATOM 0 HG23 ILE A 46 4.414 3.287 1.781 1.00 2.05 H new ATOM 0 HD11 ILE A 46 -0.381 3.785 1.635 1.00 1.26 H new ATOM 0 HD12 ILE A 46 0.503 5.135 0.883 1.00 1.26 H new ATOM 0 HD13 ILE A 46 0.141 3.671 -0.063 1.00 1.26 H new ATOM 732 N ALA A 47 5.239 5.544 -0.658 1.00 0.60 N ATOM 733 CA ALA A 47 6.686 5.901 -0.699 1.00 0.69 C ATOM 734 C ALA A 47 6.828 7.411 -0.487 1.00 0.63 C ATOM 735 O ALA A 47 7.722 7.866 0.201 1.00 0.82 O ATOM 736 CB ALA A 47 7.270 5.492 -2.048 1.00 0.90 C ATOM 0 H ALA A 47 4.864 5.157 -1.524 1.00 0.60 H new ATOM 0 HA ALA A 47 7.228 5.377 0.088 1.00 0.69 H new ATOM 0 HB1 ALA A 47 8.328 5.752 -2.080 1.00 0.90 H new ATOM 0 HB2 ALA A 47 7.156 4.416 -2.183 1.00 0.90 H new ATOM 0 HB3 ALA A 47 6.743 6.015 -2.846 1.00 0.90 H new ATOM 742 N LYS A 48 5.923 8.185 -1.036 1.00 0.53 N ATOM 743 CA LYS A 48 5.972 9.662 -0.826 1.00 0.71 C ATOM 744 C LYS A 48 5.626 9.925 0.642 1.00 0.77 C ATOM 745 O LYS A 48 6.162 10.809 1.279 1.00 1.01 O ATOM 746 CB LYS A 48 4.951 10.351 -1.734 1.00 0.78 C ATOM 747 CG LYS A 48 5.492 10.397 -3.164 1.00 1.47 C ATOM 748 CD LYS A 48 4.968 11.649 -3.869 1.00 1.72 C ATOM 749 CE LYS A 48 5.850 12.844 -3.508 1.00 2.39 C ATOM 750 NZ LYS A 48 5.786 13.857 -4.599 1.00 3.11 N ATOM 0 H LYS A 48 5.154 7.856 -1.620 1.00 0.53 H new ATOM 0 HA LYS A 48 6.960 10.054 -1.066 1.00 0.71 H new ATOM 0 HB2 LYS A 48 4.004 9.812 -1.709 1.00 0.78 H new ATOM 0 HB3 LYS A 48 4.753 11.361 -1.376 1.00 0.78 H new ATOM 0 HG2 LYS A 48 6.582 10.403 -3.152 1.00 1.47 H new ATOM 0 HG3 LYS A 48 5.185 9.505 -3.709 1.00 1.47 H new ATOM 0 HD2 LYS A 48 4.966 11.498 -4.948 1.00 1.72 H new ATOM 0 HD3 LYS A 48 3.937 11.842 -3.572 1.00 1.72 H new ATOM 0 HE2 LYS A 48 5.517 13.285 -2.568 1.00 2.39 H new ATOM 0 HE3 LYS A 48 6.880 12.518 -3.360 1.00 2.39 H new ATOM 0 HZ1 LYS A 48 6.386 14.670 -4.353 1.00 3.11 H new ATOM 0 HZ2 LYS A 48 6.124 13.433 -5.487 1.00 3.11 H new ATOM 0 HZ3 LYS A 48 4.803 14.176 -4.719 1.00 3.11 H new ATOM 764 N TYR A 49 4.750 9.113 1.188 1.00 0.69 N ATOM 765 CA TYR A 49 4.356 9.221 2.629 1.00 0.84 C ATOM 766 C TYR A 49 5.649 9.224 3.477 1.00 0.84 C ATOM 767 O TYR A 49 6.686 8.856 2.959 1.00 1.10 O ATOM 768 CB TYR A 49 3.531 7.942 2.954 1.00 1.17 C ATOM 769 CG TYR A 49 2.204 8.189 3.660 1.00 1.12 C ATOM 770 CD1 TYR A 49 1.814 9.455 4.095 1.00 1.52 C ATOM 771 CD2 TYR A 49 1.361 7.094 3.886 1.00 2.80 C ATOM 772 CE1 TYR A 49 0.598 9.634 4.751 1.00 1.77 C ATOM 773 CE2 TYR A 49 0.140 7.271 4.541 1.00 3.18 C ATOM 774 CZ TYR A 49 -0.242 8.542 4.977 1.00 2.08 C ATOM 775 OH TYR A 49 -1.443 8.719 5.630 1.00 2.71 O ATOM 0 H TYR A 49 4.281 8.362 0.681 1.00 0.69 H new ATOM 0 HA TYR A 49 3.780 10.123 2.836 1.00 0.84 H new ATOM 0 HB2 TYR A 49 3.336 7.409 2.024 1.00 1.17 H new ATOM 0 HB3 TYR A 49 4.139 7.285 3.576 1.00 1.17 H new ATOM 0 HD1 TYR A 49 2.460 10.303 3.922 1.00 1.52 H new ATOM 0 HD2 TYR A 49 1.656 6.110 3.553 1.00 2.80 H new ATOM 0 HE1 TYR A 49 0.305 10.618 5.085 1.00 1.77 H new ATOM 0 HE2 TYR A 49 -0.509 6.425 4.710 1.00 3.18 H new ATOM 0 HH TYR A 49 -2.169 8.349 5.086 1.00 2.71 H new ATOM 785 N PRO A 50 5.586 9.574 4.760 1.00 0.96 N ATOM 786 CA PRO A 50 6.786 9.524 5.601 1.00 1.16 C ATOM 787 C PRO A 50 7.285 8.075 5.644 1.00 1.16 C ATOM 788 O PRO A 50 8.422 7.822 5.990 1.00 1.54 O ATOM 789 CB PRO A 50 6.336 9.999 6.989 1.00 1.27 C ATOM 790 CG PRO A 50 4.852 10.410 6.874 1.00 1.47 C ATOM 791 CD PRO A 50 4.376 10.027 5.465 1.00 1.29 C ATOM 0 HA PRO A 50 7.600 10.147 5.229 1.00 1.16 H new ATOM 0 HB2 PRO A 50 6.459 9.205 7.726 1.00 1.27 H new ATOM 0 HB3 PRO A 50 6.943 10.840 7.323 1.00 1.27 H new ATOM 0 HG2 PRO A 50 4.254 9.904 7.632 1.00 1.47 H new ATOM 0 HG3 PRO A 50 4.737 11.481 7.040 1.00 1.47 H new ATOM 0 HD2 PRO A 50 3.624 9.239 5.504 1.00 1.29 H new ATOM 0 HD3 PRO A 50 3.920 10.878 4.958 1.00 1.29 H new ATOM 799 N HIS A 51 6.436 7.114 5.269 1.00 1.03 N ATOM 800 CA HIS A 51 6.862 5.676 5.254 1.00 1.47 C ATOM 801 C HIS A 51 6.872 5.119 6.676 1.00 1.44 C ATOM 802 O HIS A 51 7.842 4.538 7.125 1.00 2.69 O ATOM 803 CB HIS A 51 8.254 5.527 4.617 1.00 2.17 C ATOM 804 CG HIS A 51 8.394 4.164 4.000 1.00 1.58 C ATOM 805 ND1 HIS A 51 9.529 3.388 4.176 1.00 2.60 N ATOM 806 CD2 HIS A 51 7.560 3.431 3.194 1.00 2.64 C ATOM 807 CE1 HIS A 51 9.349 2.246 3.490 1.00 3.66 C ATOM 808 NE2 HIS A 51 8.165 2.220 2.873 1.00 3.89 N ATOM 0 H HIS A 51 5.473 7.278 4.976 1.00 1.03 H new ATOM 0 HA HIS A 51 6.148 5.111 4.655 1.00 1.47 H new ATOM 0 HB2 HIS A 51 8.400 6.295 3.858 1.00 2.17 H new ATOM 0 HB3 HIS A 51 9.026 5.674 5.372 1.00 2.17 H new ATOM 0 HD1 HIS A 51 10.351 3.638 4.726 1.00 2.60 H new ATOM 0 HD2 HIS A 51 6.583 3.746 2.860 1.00 2.64 H new ATOM 0 HE1 HIS A 51 10.074 1.447 3.444 1.00 3.66 H new ATOM 816 N LYS A 52 5.778 5.277 7.377 1.00 1.70 N ATOM 817 CA LYS A 52 5.677 4.746 8.770 1.00 1.72 C ATOM 818 C LYS A 52 4.355 5.208 9.382 1.00 1.56 C ATOM 819 O LYS A 52 4.104 6.391 9.517 1.00 2.46 O ATOM 820 CB LYS A 52 6.839 5.260 9.634 1.00 2.16 C ATOM 821 CG LYS A 52 6.987 6.774 9.458 1.00 3.93 C ATOM 822 CD LYS A 52 8.261 7.247 10.163 1.00 4.30 C ATOM 823 CE LYS A 52 8.098 8.706 10.594 1.00 5.85 C ATOM 824 NZ LYS A 52 8.711 9.598 9.570 1.00 7.04 N ATOM 0 H LYS A 52 4.943 5.756 7.040 1.00 1.70 H new ATOM 0 HA LYS A 52 5.722 3.657 8.737 1.00 1.72 H new ATOM 0 HB2 LYS A 52 6.657 5.023 10.682 1.00 2.16 H new ATOM 0 HB3 LYS A 52 7.765 4.760 9.350 1.00 2.16 H new ATOM 0 HG2 LYS A 52 7.030 7.025 8.398 1.00 3.93 H new ATOM 0 HG3 LYS A 52 6.118 7.286 9.872 1.00 3.93 H new ATOM 0 HD2 LYS A 52 8.461 6.621 11.032 1.00 4.30 H new ATOM 0 HD3 LYS A 52 9.116 7.148 9.495 1.00 4.30 H new ATOM 0 HE2 LYS A 52 7.041 8.945 10.714 1.00 5.85 H new ATOM 0 HE3 LYS A 52 8.573 8.866 11.562 1.00 5.85 H new ATOM 0 HZ1 LYS A 52 8.387 10.575 9.722 1.00 7.04 H new ATOM 0 HZ2 LYS A 52 9.747 9.560 9.652 1.00 7.04 H new ATOM 0 HZ3 LYS A 52 8.427 9.283 8.620 1.00 7.04 H new ATOM 838 N ILE A 53 3.508 4.283 9.749 1.00 1.21 N ATOM 839 CA ILE A 53 2.197 4.659 10.352 1.00 1.36 C ATOM 840 C ILE A 53 1.886 3.720 11.519 1.00 1.41 C ATOM 841 O ILE A 53 1.952 2.513 11.391 1.00 1.53 O ATOM 842 CB ILE A 53 1.076 4.563 9.305 1.00 1.42 C ATOM 843 CG1 ILE A 53 1.178 3.225 8.525 1.00 1.77 C ATOM 844 CG2 ILE A 53 1.146 5.769 8.353 1.00 1.67 C ATOM 845 CD1 ILE A 53 2.269 3.265 7.437 1.00 3.13 C ATOM 0 H ILE A 53 3.669 3.280 9.656 1.00 1.21 H new ATOM 0 HA ILE A 53 2.256 5.687 10.709 1.00 1.36 H new ATOM 0 HB ILE A 53 0.111 4.581 9.811 1.00 1.42 H new ATOM 0 HG12 ILE A 53 1.393 2.416 9.223 1.00 1.77 H new ATOM 0 HG13 ILE A 53 0.216 3.001 8.064 1.00 1.77 H new ATOM 0 HG21 ILE A 53 0.349 5.695 7.613 1.00 1.67 H new ATOM 0 HG22 ILE A 53 1.028 6.690 8.923 1.00 1.67 H new ATOM 0 HG23 ILE A 53 2.111 5.777 7.847 1.00 1.67 H new ATOM 0 HD11 ILE A 53 2.302 2.306 6.919 1.00 3.13 H new ATOM 0 HD12 ILE A 53 2.041 4.056 6.722 1.00 3.13 H new ATOM 0 HD13 ILE A 53 3.237 3.461 7.899 1.00 3.13 H new ATOM 857 N LYS A 54 1.549 4.271 12.658 1.00 1.55 N ATOM 858 CA LYS A 54 1.233 3.422 13.845 1.00 1.70 C ATOM 859 C LYS A 54 -0.209 2.922 13.745 1.00 1.71 C ATOM 860 O LYS A 54 -0.522 1.819 14.155 1.00 2.14 O ATOM 861 CB LYS A 54 1.397 4.250 15.122 1.00 2.10 C ATOM 862 CG LYS A 54 1.871 3.345 16.261 1.00 2.95 C ATOM 863 CD LYS A 54 1.781 4.105 17.586 1.00 3.47 C ATOM 864 CE LYS A 54 2.098 3.155 18.743 1.00 4.59 C ATOM 865 NZ LYS A 54 0.879 2.372 19.091 1.00 5.72 N ATOM 0 H LYS A 54 1.479 5.276 12.816 1.00 1.55 H new ATOM 0 HA LYS A 54 1.912 2.570 13.873 1.00 1.70 H new ATOM 0 HB2 LYS A 54 2.116 5.052 14.958 1.00 2.10 H new ATOM 0 HB3 LYS A 54 0.450 4.720 15.387 1.00 2.10 H new ATOM 0 HG2 LYS A 54 1.258 2.444 16.303 1.00 2.95 H new ATOM 0 HG3 LYS A 54 2.897 3.024 16.082 1.00 2.95 H new ATOM 0 HD2 LYS A 54 2.481 4.941 17.586 1.00 3.47 H new ATOM 0 HD3 LYS A 54 0.783 4.525 17.709 1.00 3.47 H new ATOM 0 HE2 LYS A 54 2.908 2.482 18.463 1.00 4.59 H new ATOM 0 HE3 LYS A 54 2.439 3.721 19.610 1.00 4.59 H new ATOM 0 HZ1 LYS A 54 1.094 1.726 19.877 1.00 5.72 H new ATOM 0 HZ2 LYS A 54 0.118 3.022 19.375 1.00 5.72 H new ATOM 0 HZ3 LYS A 54 0.573 1.821 18.264 1.00 5.72 H new ATOM 879 N SER A 55 -1.088 3.726 13.203 1.00 1.63 N ATOM 880 CA SER A 55 -2.513 3.307 13.071 1.00 1.79 C ATOM 881 C SER A 55 -2.722 2.625 11.718 1.00 1.58 C ATOM 882 O SER A 55 -1.776 2.270 11.040 1.00 2.24 O ATOM 883 CB SER A 55 -3.416 4.538 13.167 1.00 2.20 C ATOM 884 OG SER A 55 -3.249 5.334 12.001 1.00 3.38 O ATOM 0 H SER A 55 -0.878 4.658 12.845 1.00 1.63 H new ATOM 0 HA SER A 55 -2.762 2.609 13.871 1.00 1.79 H new ATOM 0 HB2 SER A 55 -4.458 4.233 13.267 1.00 2.20 H new ATOM 0 HB3 SER A 55 -3.167 5.118 14.056 1.00 2.20 H new ATOM 0 HG SER A 55 -3.827 6.123 12.058 1.00 3.38 H new ATOM 890 N GLY A 56 -3.956 2.442 11.322 1.00 1.57 N ATOM 891 CA GLY A 56 -4.239 1.783 10.012 1.00 1.61 C ATOM 892 C GLY A 56 -5.066 2.712 9.109 1.00 1.64 C ATOM 893 O GLY A 56 -5.370 2.367 7.981 1.00 1.90 O ATOM 0 H GLY A 56 -4.782 2.722 11.851 1.00 1.57 H new ATOM 0 HA2 GLY A 56 -3.302 1.526 9.518 1.00 1.61 H new ATOM 0 HA3 GLY A 56 -4.779 0.851 10.177 1.00 1.61 H new ATOM 897 N ALA A 57 -5.433 3.882 9.583 1.00 1.61 N ATOM 898 CA ALA A 57 -6.238 4.816 8.740 1.00 1.87 C ATOM 899 C ALA A 57 -5.315 5.724 7.914 1.00 1.64 C ATOM 900 O ALA A 57 -5.771 6.658 7.280 1.00 1.41 O ATOM 901 CB ALA A 57 -7.118 5.680 9.641 1.00 2.20 C ATOM 0 H ALA A 57 -5.208 4.227 10.516 1.00 1.61 H new ATOM 0 HA ALA A 57 -6.859 4.231 8.061 1.00 1.87 H new ATOM 0 HB1 ALA A 57 -7.707 6.363 9.028 1.00 2.20 H new ATOM 0 HB2 ALA A 57 -7.787 5.041 10.217 1.00 2.20 H new ATOM 0 HB3 ALA A 57 -6.489 6.254 10.322 1.00 2.20 H new ATOM 907 N GLU A 58 -4.023 5.471 7.915 1.00 1.78 N ATOM 908 CA GLU A 58 -3.083 6.332 7.129 1.00 1.62 C ATOM 909 C GLU A 58 -3.516 6.374 5.655 1.00 1.35 C ATOM 910 O GLU A 58 -3.448 7.400 5.006 1.00 1.03 O ATOM 911 CB GLU A 58 -1.639 5.794 7.267 1.00 2.05 C ATOM 912 CG GLU A 58 -1.417 4.502 6.453 1.00 4.73 C ATOM 913 CD GLU A 58 -2.182 3.340 7.086 1.00 6.14 C ATOM 914 OE1 GLU A 58 -2.063 3.162 8.287 1.00 6.23 O ATOM 915 OE2 GLU A 58 -2.874 2.646 6.360 1.00 7.68 O ATOM 0 H GLU A 58 -3.583 4.706 8.426 1.00 1.78 H new ATOM 0 HA GLU A 58 -3.110 7.349 7.521 1.00 1.62 H new ATOM 0 HB2 GLU A 58 -0.936 6.557 6.933 1.00 2.05 H new ATOM 0 HB3 GLU A 58 -1.424 5.600 8.318 1.00 2.05 H new ATOM 0 HG2 GLU A 58 -1.750 4.649 5.426 1.00 4.73 H new ATOM 0 HG3 GLU A 58 -0.353 4.267 6.413 1.00 4.73 H new ATOM 922 N ALA A 59 -3.966 5.265 5.132 1.00 1.65 N ATOM 923 CA ALA A 59 -4.408 5.233 3.711 1.00 1.72 C ATOM 924 C ALA A 59 -5.754 5.949 3.587 1.00 1.47 C ATOM 925 O ALA A 59 -6.070 6.519 2.563 1.00 1.62 O ATOM 926 CB ALA A 59 -4.551 3.780 3.254 1.00 2.24 C ATOM 0 H ALA A 59 -4.046 4.379 5.630 1.00 1.65 H new ATOM 0 HA ALA A 59 -3.671 5.735 3.084 1.00 1.72 H new ATOM 0 HB1 ALA A 59 -4.875 3.756 2.213 1.00 2.24 H new ATOM 0 HB2 ALA A 59 -3.591 3.273 3.347 1.00 2.24 H new ATOM 0 HB3 ALA A 59 -5.290 3.274 3.876 1.00 2.24 H new ATOM 932 N LYS A 60 -6.548 5.923 4.628 1.00 1.29 N ATOM 933 CA LYS A 60 -7.877 6.599 4.582 1.00 1.20 C ATOM 934 C LYS A 60 -7.697 8.118 4.468 1.00 1.06 C ATOM 935 O LYS A 60 -8.589 8.818 4.025 1.00 1.48 O ATOM 936 CB LYS A 60 -8.652 6.275 5.859 1.00 1.20 C ATOM 937 CG LYS A 60 -10.123 6.654 5.677 1.00 2.05 C ATOM 938 CD LYS A 60 -10.727 7.016 7.036 1.00 2.49 C ATOM 939 CE LYS A 60 -12.250 6.898 6.967 1.00 3.30 C ATOM 940 NZ LYS A 60 -12.817 6.971 8.344 1.00 3.86 N ATOM 0 H LYS A 60 -6.330 5.460 5.511 1.00 1.29 H new ATOM 0 HA LYS A 60 -8.428 6.242 3.712 1.00 1.20 H new ATOM 0 HB2 LYS A 60 -8.565 5.213 6.089 1.00 1.20 H new ATOM 0 HB3 LYS A 60 -8.227 6.820 6.702 1.00 1.20 H new ATOM 0 HG2 LYS A 60 -10.211 7.497 4.992 1.00 2.05 H new ATOM 0 HG3 LYS A 60 -10.672 5.824 5.233 1.00 2.05 H new ATOM 0 HD2 LYS A 60 -10.335 6.353 7.808 1.00 2.49 H new ATOM 0 HD3 LYS A 60 -10.443 8.031 7.313 1.00 2.49 H new ATOM 0 HE2 LYS A 60 -12.660 7.698 6.351 1.00 3.30 H new ATOM 0 HE3 LYS A 60 -12.532 5.956 6.496 1.00 3.30 H new ATOM 0 HZ1 LYS A 60 -13.853 6.891 8.298 1.00 3.86 H new ATOM 0 HZ2 LYS A 60 -12.435 6.193 8.918 1.00 3.86 H new ATOM 0 HZ3 LYS A 60 -12.559 7.880 8.778 1.00 3.86 H new ATOM 954 N LYS A 61 -6.559 8.638 4.870 1.00 0.85 N ATOM 955 CA LYS A 61 -6.342 10.115 4.788 1.00 0.85 C ATOM 956 C LYS A 61 -5.655 10.480 3.468 1.00 0.85 C ATOM 957 O LYS A 61 -5.774 11.594 2.992 1.00 1.08 O ATOM 958 CB LYS A 61 -5.480 10.581 5.969 1.00 0.95 C ATOM 959 CG LYS A 61 -4.116 9.881 5.945 1.00 1.65 C ATOM 960 CD LYS A 61 -3.088 10.750 6.672 1.00 1.93 C ATOM 961 CE LYS A 61 -2.406 11.682 5.670 1.00 2.02 C ATOM 962 NZ LYS A 61 -1.807 12.838 6.394 1.00 2.60 N ATOM 0 H LYS A 61 -5.777 8.104 5.249 1.00 0.85 H new ATOM 0 HA LYS A 61 -7.310 10.614 4.830 1.00 0.85 H new ATOM 0 HB2 LYS A 61 -5.342 11.661 5.923 1.00 0.95 H new ATOM 0 HB3 LYS A 61 -5.990 10.365 6.908 1.00 0.95 H new ATOM 0 HG2 LYS A 61 -4.187 8.904 6.424 1.00 1.65 H new ATOM 0 HG3 LYS A 61 -3.801 9.709 4.916 1.00 1.65 H new ATOM 0 HD2 LYS A 61 -3.577 11.333 7.453 1.00 1.93 H new ATOM 0 HD3 LYS A 61 -2.346 10.120 7.162 1.00 1.93 H new ATOM 0 HE2 LYS A 61 -1.633 11.142 5.123 1.00 2.02 H new ATOM 0 HE3 LYS A 61 -3.129 12.035 4.935 1.00 2.02 H new ATOM 0 HZ1 LYS A 61 -1.343 13.472 5.712 1.00 2.60 H new ATOM 0 HZ2 LYS A 61 -2.554 13.358 6.897 1.00 2.60 H new ATOM 0 HZ3 LYS A 61 -1.105 12.493 7.079 1.00 2.60 H new ATOM 976 N LEU A 62 -4.928 9.559 2.875 1.00 0.85 N ATOM 977 CA LEU A 62 -4.225 9.868 1.587 1.00 1.04 C ATOM 978 C LEU A 62 -5.234 10.408 0.547 1.00 1.58 C ATOM 979 O LEU A 62 -6.413 10.132 0.646 1.00 2.36 O ATOM 980 CB LEU A 62 -3.531 8.605 1.063 1.00 1.32 C ATOM 981 CG LEU A 62 -2.369 8.225 2.002 1.00 1.31 C ATOM 982 CD1 LEU A 62 -1.674 6.952 1.495 1.00 1.83 C ATOM 983 CD2 LEU A 62 -1.351 9.375 2.067 1.00 1.23 C ATOM 0 H LEU A 62 -4.792 8.611 3.226 1.00 0.85 H new ATOM 0 HA LEU A 62 -3.471 10.635 1.762 1.00 1.04 H new ATOM 0 HB2 LEU A 62 -4.246 7.784 1.002 1.00 1.32 H new ATOM 0 HB3 LEU A 62 -3.155 8.776 0.054 1.00 1.32 H new ATOM 0 HG LEU A 62 -2.770 8.040 2.999 1.00 1.31 H new ATOM 0 HD11 LEU A 62 -0.855 6.693 2.166 1.00 1.83 H new ATOM 0 HD12 LEU A 62 -2.392 6.132 1.466 1.00 1.83 H new ATOM 0 HD13 LEU A 62 -1.281 7.126 0.493 1.00 1.83 H new ATOM 0 HD21 LEU A 62 -0.533 9.099 2.732 1.00 1.23 H new ATOM 0 HD22 LEU A 62 -0.958 9.570 1.069 1.00 1.23 H new ATOM 0 HD23 LEU A 62 -1.840 10.273 2.446 1.00 1.23 H new ATOM 995 N PRO A 63 -4.752 11.202 -0.401 1.00 1.52 N ATOM 996 CA PRO A 63 -5.625 11.821 -1.424 1.00 2.15 C ATOM 997 C PRO A 63 -6.309 10.781 -2.328 1.00 2.36 C ATOM 998 O PRO A 63 -7.483 10.499 -2.169 1.00 3.43 O ATOM 999 CB PRO A 63 -4.691 12.724 -2.248 1.00 2.29 C ATOM 1000 CG PRO A 63 -3.248 12.519 -1.723 1.00 2.14 C ATOM 1001 CD PRO A 63 -3.315 11.548 -0.535 1.00 1.53 C ATOM 0 HA PRO A 63 -6.441 12.371 -0.955 1.00 2.15 H new ATOM 0 HB2 PRO A 63 -4.752 12.471 -3.307 1.00 2.29 H new ATOM 0 HB3 PRO A 63 -4.987 13.769 -2.152 1.00 2.29 H new ATOM 0 HG2 PRO A 63 -2.609 12.117 -2.509 1.00 2.14 H new ATOM 0 HG3 PRO A 63 -2.815 13.471 -1.415 1.00 2.14 H new ATOM 0 HD2 PRO A 63 -2.711 10.659 -0.717 1.00 1.53 H new ATOM 0 HD3 PRO A 63 -2.934 12.011 0.375 1.00 1.53 H new ATOM 1009 N GLY A 64 -5.605 10.243 -3.296 1.00 2.69 N ATOM 1010 CA GLY A 64 -6.237 9.264 -4.233 1.00 3.01 C ATOM 1011 C GLY A 64 -6.009 7.826 -3.767 1.00 2.77 C ATOM 1012 O GLY A 64 -5.910 6.918 -4.573 1.00 2.85 O ATOM 0 H GLY A 64 -4.621 10.440 -3.476 1.00 2.69 H new ATOM 0 HA2 GLY A 64 -7.307 9.461 -4.302 1.00 3.01 H new ATOM 0 HA3 GLY A 64 -5.824 9.395 -5.233 1.00 3.01 H new ATOM 1016 N VAL A 65 -5.935 7.603 -2.481 1.00 2.65 N ATOM 1017 CA VAL A 65 -5.725 6.216 -1.970 1.00 2.56 C ATOM 1018 C VAL A 65 -6.368 6.092 -0.587 1.00 2.40 C ATOM 1019 O VAL A 65 -6.397 7.041 0.173 1.00 3.01 O ATOM 1020 CB VAL A 65 -4.223 5.917 -1.871 1.00 2.89 C ATOM 1021 CG1 VAL A 65 -4.014 4.432 -1.559 1.00 2.75 C ATOM 1022 CG2 VAL A 65 -3.543 6.250 -3.205 1.00 3.34 C ATOM 0 H VAL A 65 -6.011 8.322 -1.762 1.00 2.65 H new ATOM 0 HA VAL A 65 -6.182 5.502 -2.655 1.00 2.56 H new ATOM 0 HB VAL A 65 -3.789 6.524 -1.076 1.00 2.89 H new ATOM 0 HG11 VAL A 65 -2.947 4.222 -1.489 1.00 2.75 H new ATOM 0 HG12 VAL A 65 -4.495 4.188 -0.612 1.00 2.75 H new ATOM 0 HG13 VAL A 65 -4.452 3.828 -2.354 1.00 2.75 H new ATOM 0 HG21 VAL A 65 -2.476 6.037 -3.133 1.00 3.34 H new ATOM 0 HG22 VAL A 65 -3.981 5.644 -3.998 1.00 3.34 H new ATOM 0 HG23 VAL A 65 -3.688 7.306 -3.433 1.00 3.34 H new ATOM 1032 N GLY A 66 -6.889 4.936 -0.262 1.00 2.03 N ATOM 1033 CA GLY A 66 -7.537 4.749 1.070 1.00 2.37 C ATOM 1034 C GLY A 66 -8.549 3.604 0.998 1.00 1.90 C ATOM 1035 O GLY A 66 -9.159 3.368 -0.027 1.00 2.70 O ATOM 0 H GLY A 66 -6.893 4.112 -0.864 1.00 2.03 H new ATOM 0 HA2 GLY A 66 -6.781 4.532 1.825 1.00 2.37 H new ATOM 0 HA3 GLY A 66 -8.036 5.669 1.374 1.00 2.37 H new ATOM 1039 N THR A 67 -8.731 2.894 2.084 1.00 2.22 N ATOM 1040 CA THR A 67 -9.703 1.756 2.103 1.00 2.05 C ATOM 1041 C THR A 67 -9.241 0.669 1.130 1.00 1.85 C ATOM 1042 O THR A 67 -8.647 0.953 0.112 1.00 3.19 O ATOM 1043 CB THR A 67 -11.097 2.249 1.698 1.00 2.71 C ATOM 1044 OG1 THR A 67 -11.233 3.620 2.048 1.00 3.89 O ATOM 1045 CG2 THR A 67 -12.162 1.426 2.424 1.00 3.31 C ATOM 0 H THR A 67 -8.244 3.055 2.966 1.00 2.22 H new ATOM 0 HA THR A 67 -9.749 1.345 3.112 1.00 2.05 H new ATOM 0 HB THR A 67 -11.225 2.135 0.622 1.00 2.71 H new ATOM 0 HG1 THR A 67 -12.123 3.937 1.788 1.00 3.89 H new ATOM 0 HG21 THR A 67 -13.153 1.777 2.135 1.00 3.31 H new ATOM 0 HG22 THR A 67 -12.057 0.375 2.154 1.00 3.31 H new ATOM 0 HG23 THR A 67 -12.037 1.538 3.501 1.00 3.31 H new ATOM 1053 N LYS A 68 -9.518 -0.577 1.447 1.00 1.38 N ATOM 1054 CA LYS A 68 -9.113 -1.730 0.569 1.00 1.23 C ATOM 1055 C LYS A 68 -7.618 -2.032 0.755 1.00 0.98 C ATOM 1056 O LYS A 68 -7.258 -3.001 1.399 1.00 0.97 O ATOM 1057 CB LYS A 68 -9.422 -1.437 -0.910 1.00 2.01 C ATOM 1058 CG LYS A 68 -9.578 -2.756 -1.669 1.00 2.41 C ATOM 1059 CD LYS A 68 -11.049 -3.177 -1.666 1.00 2.54 C ATOM 1060 CE LYS A 68 -11.145 -4.699 -1.773 1.00 2.88 C ATOM 1061 NZ LYS A 68 -12.354 -5.174 -1.042 1.00 3.62 N ATOM 0 H LYS A 68 -10.017 -0.850 2.294 1.00 1.38 H new ATOM 0 HA LYS A 68 -9.692 -2.605 0.864 1.00 1.23 H new ATOM 0 HB2 LYS A 68 -10.335 -0.848 -0.992 1.00 2.01 H new ATOM 0 HB3 LYS A 68 -8.620 -0.845 -1.350 1.00 2.01 H new ATOM 0 HG2 LYS A 68 -9.224 -2.642 -2.693 1.00 2.41 H new ATOM 0 HG3 LYS A 68 -8.967 -3.530 -1.204 1.00 2.41 H new ATOM 0 HD2 LYS A 68 -11.534 -2.835 -0.752 1.00 2.54 H new ATOM 0 HD3 LYS A 68 -11.574 -2.710 -2.499 1.00 2.54 H new ATOM 0 HE2 LYS A 68 -11.199 -4.998 -2.820 1.00 2.88 H new ATOM 0 HE3 LYS A 68 -10.250 -5.161 -1.356 1.00 2.88 H new ATOM 0 HZ1 LYS A 68 -12.419 -6.209 -1.115 1.00 3.62 H new ATOM 0 HZ2 LYS A 68 -12.284 -4.901 -0.041 1.00 3.62 H new ATOM 0 HZ3 LYS A 68 -13.204 -4.743 -1.460 1.00 3.62 H new ATOM 1075 N ILE A 69 -6.744 -1.222 0.205 1.00 0.92 N ATOM 1076 CA ILE A 69 -5.281 -1.474 0.360 1.00 0.71 C ATOM 1077 C ILE A 69 -4.832 -1.072 1.769 1.00 0.64 C ATOM 1078 O ILE A 69 -3.829 -1.548 2.264 1.00 0.59 O ATOM 1079 CB ILE A 69 -4.503 -0.650 -0.670 1.00 0.72 C ATOM 1080 CG1 ILE A 69 -5.081 -0.895 -2.071 1.00 0.85 C ATOM 1081 CG2 ILE A 69 -3.031 -1.066 -0.644 1.00 0.75 C ATOM 1082 CD1 ILE A 69 -6.001 0.266 -2.458 1.00 2.36 C ATOM 0 H ILE A 69 -6.984 -0.397 -0.345 1.00 0.92 H new ATOM 0 HA ILE A 69 -5.085 -2.535 0.204 1.00 0.71 H new ATOM 0 HB ILE A 69 -4.588 0.409 -0.426 1.00 0.72 H new ATOM 0 HG12 ILE A 69 -4.273 -0.990 -2.797 1.00 0.85 H new ATOM 0 HG13 ILE A 69 -5.636 -1.833 -2.087 1.00 0.85 H new ATOM 0 HG21 ILE A 69 -2.475 -0.481 -1.376 1.00 0.75 H new ATOM 0 HG22 ILE A 69 -2.620 -0.889 0.350 1.00 0.75 H new ATOM 0 HG23 ILE A 69 -2.948 -2.125 -0.887 1.00 0.75 H new ATOM 0 HD11 ILE A 69 -6.410 0.090 -3.453 1.00 2.36 H new ATOM 0 HD12 ILE A 69 -6.816 0.340 -1.738 1.00 2.36 H new ATOM 0 HD13 ILE A 69 -5.433 1.196 -2.459 1.00 2.36 H new ATOM 1094 N ALA A 70 -5.565 -0.196 2.418 1.00 0.69 N ATOM 1095 CA ALA A 70 -5.182 0.243 3.797 1.00 0.69 C ATOM 1096 C ALA A 70 -5.081 -0.974 4.723 1.00 0.66 C ATOM 1097 O ALA A 70 -4.330 -0.973 5.680 1.00 0.66 O ATOM 1098 CB ALA A 70 -6.243 1.205 4.335 1.00 0.80 C ATOM 0 H ALA A 70 -6.414 0.234 2.050 1.00 0.69 H new ATOM 0 HA ALA A 70 -4.215 0.745 3.759 1.00 0.69 H new ATOM 0 HB1 ALA A 70 -5.967 1.527 5.339 1.00 0.80 H new ATOM 0 HB2 ALA A 70 -6.311 2.075 3.681 1.00 0.80 H new ATOM 0 HB3 ALA A 70 -7.208 0.700 4.368 1.00 0.80 H new ATOM 1104 N GLU A 71 -5.829 -2.011 4.438 1.00 0.71 N ATOM 1105 CA GLU A 71 -5.775 -3.233 5.292 1.00 0.75 C ATOM 1106 C GLU A 71 -4.379 -3.850 5.190 1.00 0.69 C ATOM 1107 O GLU A 71 -3.812 -4.293 6.171 1.00 0.70 O ATOM 1108 CB GLU A 71 -6.821 -4.240 4.808 1.00 0.90 C ATOM 1109 CG GLU A 71 -8.134 -4.013 5.560 1.00 1.62 C ATOM 1110 CD GLU A 71 -9.149 -5.083 5.152 1.00 2.08 C ATOM 1111 OE1 GLU A 71 -8.901 -6.244 5.434 1.00 2.70 O ATOM 1112 OE2 GLU A 71 -10.156 -4.723 4.566 1.00 3.07 O ATOM 0 H GLU A 71 -6.474 -2.062 3.650 1.00 0.71 H new ATOM 0 HA GLU A 71 -5.984 -2.970 6.329 1.00 0.75 H new ATOM 0 HB2 GLU A 71 -6.980 -4.128 3.735 1.00 0.90 H new ATOM 0 HB3 GLU A 71 -6.466 -5.257 4.973 1.00 0.90 H new ATOM 0 HG2 GLU A 71 -7.961 -4.053 6.635 1.00 1.62 H new ATOM 0 HG3 GLU A 71 -8.526 -3.021 5.337 1.00 1.62 H new ATOM 1119 N LYS A 72 -3.823 -3.874 4.006 1.00 0.69 N ATOM 1120 CA LYS A 72 -2.461 -4.451 3.821 1.00 0.71 C ATOM 1121 C LYS A 72 -1.419 -3.528 4.465 1.00 0.66 C ATOM 1122 O LYS A 72 -0.360 -3.967 4.869 1.00 0.76 O ATOM 1123 CB LYS A 72 -2.167 -4.588 2.326 1.00 0.78 C ATOM 1124 CG LYS A 72 -3.153 -5.576 1.703 1.00 1.33 C ATOM 1125 CD LYS A 72 -2.758 -7.002 2.089 1.00 1.71 C ATOM 1126 CE LYS A 72 -3.123 -7.959 0.953 1.00 1.87 C ATOM 1127 NZ LYS A 72 -2.502 -9.290 1.207 1.00 2.56 N ATOM 0 H LYS A 72 -4.258 -3.516 3.156 1.00 0.69 H new ATOM 0 HA LYS A 72 -2.415 -5.432 4.294 1.00 0.71 H new ATOM 0 HB2 LYS A 72 -2.250 -3.617 1.837 1.00 0.78 H new ATOM 0 HB3 LYS A 72 -1.144 -4.934 2.175 1.00 0.78 H new ATOM 0 HG2 LYS A 72 -4.165 -5.362 2.047 1.00 1.33 H new ATOM 0 HG3 LYS A 72 -3.155 -5.469 0.618 1.00 1.33 H new ATOM 0 HD2 LYS A 72 -1.688 -7.052 2.291 1.00 1.71 H new ATOM 0 HD3 LYS A 72 -3.269 -7.297 3.005 1.00 1.71 H new ATOM 0 HE2 LYS A 72 -4.206 -8.059 0.881 1.00 1.87 H new ATOM 0 HE3 LYS A 72 -2.775 -7.559 0.000 1.00 1.87 H new ATOM 0 HZ1 LYS A 72 -2.750 -9.942 0.435 1.00 2.56 H new ATOM 0 HZ2 LYS A 72 -1.468 -9.187 1.255 1.00 2.56 H new ATOM 0 HZ3 LYS A 72 -2.854 -9.671 2.108 1.00 2.56 H new ATOM 1141 N ILE A 73 -1.716 -2.254 4.566 1.00 0.61 N ATOM 1142 CA ILE A 73 -0.748 -1.299 5.187 1.00 0.60 C ATOM 1143 C ILE A 73 -0.497 -1.709 6.643 1.00 0.59 C ATOM 1144 O ILE A 73 0.632 -1.912 7.056 1.00 0.67 O ATOM 1145 CB ILE A 73 -1.328 0.122 5.139 1.00 0.70 C ATOM 1146 CG1 ILE A 73 -1.659 0.502 3.685 1.00 0.94 C ATOM 1147 CG2 ILE A 73 -0.312 1.118 5.708 1.00 0.78 C ATOM 1148 CD1 ILE A 73 -0.396 0.452 2.815 1.00 0.83 C ATOM 0 H ILE A 73 -2.589 -1.835 4.244 1.00 0.61 H new ATOM 0 HA ILE A 73 0.193 -1.320 4.638 1.00 0.60 H new ATOM 0 HB ILE A 73 -2.239 0.153 5.737 1.00 0.70 H new ATOM 0 HG12 ILE A 73 -2.409 -0.181 3.286 1.00 0.94 H new ATOM 0 HG13 ILE A 73 -2.090 1.503 3.654 1.00 0.94 H new ATOM 0 HG21 ILE A 73 -0.729 2.124 5.671 1.00 0.78 H new ATOM 0 HG22 ILE A 73 -0.086 0.856 6.742 1.00 0.78 H new ATOM 0 HG23 ILE A 73 0.603 1.083 5.116 1.00 0.78 H new ATOM 0 HD11 ILE A 73 -0.649 0.724 1.790 1.00 0.83 H new ATOM 0 HD12 ILE A 73 0.342 1.153 3.204 1.00 0.83 H new ATOM 0 HD13 ILE A 73 0.017 -0.556 2.832 1.00 0.83 H new ATOM 1160 N ASP A 74 -1.544 -1.843 7.417 1.00 0.77 N ATOM 1161 CA ASP A 74 -1.379 -2.249 8.841 1.00 0.88 C ATOM 1162 C ASP A 74 -0.790 -3.661 8.898 1.00 0.85 C ATOM 1163 O ASP A 74 -0.107 -4.019 9.840 1.00 1.00 O ATOM 1164 CB ASP A 74 -2.741 -2.234 9.539 1.00 1.04 C ATOM 1165 CG ASP A 74 -2.540 -2.197 11.055 1.00 1.99 C ATOM 1166 OD1 ASP A 74 -1.602 -2.822 11.523 1.00 3.27 O ATOM 1167 OD2 ASP A 74 -3.326 -1.545 11.721 1.00 2.43 O ATOM 0 H ASP A 74 -2.508 -1.688 7.121 1.00 0.77 H new ATOM 0 HA ASP A 74 -0.709 -1.552 9.344 1.00 0.88 H new ATOM 0 HB2 ASP A 74 -3.316 -1.366 9.217 1.00 1.04 H new ATOM 0 HB3 ASP A 74 -3.314 -3.118 9.259 1.00 1.04 H new ATOM 1172 N GLU A 75 -1.045 -4.465 7.892 1.00 0.78 N ATOM 1173 CA GLU A 75 -0.497 -5.854 7.877 1.00 0.86 C ATOM 1174 C GLU A 75 1.032 -5.795 7.883 1.00 0.95 C ATOM 1175 O GLU A 75 1.689 -6.588 8.533 1.00 1.11 O ATOM 1176 CB GLU A 75 -0.975 -6.578 6.614 1.00 0.90 C ATOM 1177 CG GLU A 75 -2.238 -7.381 6.931 1.00 1.58 C ATOM 1178 CD GLU A 75 -1.851 -8.809 7.321 1.00 1.80 C ATOM 1179 OE1 GLU A 75 -1.257 -9.486 6.498 1.00 2.36 O ATOM 1180 OE2 GLU A 75 -2.156 -9.201 8.435 1.00 2.99 O ATOM 0 H GLU A 75 -1.610 -4.216 7.080 1.00 0.78 H new ATOM 0 HA GLU A 75 -0.845 -6.393 8.758 1.00 0.86 H new ATOM 0 HB2 GLU A 75 -1.180 -5.856 5.824 1.00 0.90 H new ATOM 0 HB3 GLU A 75 -0.193 -7.241 6.245 1.00 0.90 H new ATOM 0 HG2 GLU A 75 -2.788 -6.907 7.744 1.00 1.58 H new ATOM 0 HG3 GLU A 75 -2.899 -7.396 6.065 1.00 1.58 H new ATOM 1187 N PHE A 76 1.600 -4.853 7.171 1.00 0.93 N ATOM 1188 CA PHE A 76 3.088 -4.727 7.137 1.00 1.11 C ATOM 1189 C PHE A 76 3.595 -4.399 8.532 1.00 1.15 C ATOM 1190 O PHE A 76 4.517 -5.014 9.034 1.00 1.37 O ATOM 1191 CB PHE A 76 3.503 -3.600 6.179 1.00 1.23 C ATOM 1192 CG PHE A 76 2.772 -3.713 4.855 1.00 1.13 C ATOM 1193 CD1 PHE A 76 2.578 -4.964 4.246 1.00 1.75 C ATOM 1194 CD2 PHE A 76 2.293 -2.556 4.232 1.00 2.38 C ATOM 1195 CE1 PHE A 76 1.906 -5.050 3.021 1.00 2.05 C ATOM 1196 CE2 PHE A 76 1.622 -2.643 3.007 1.00 2.56 C ATOM 1197 CZ PHE A 76 1.428 -3.889 2.401 1.00 1.83 C ATOM 0 H PHE A 76 1.096 -4.165 6.611 1.00 0.93 H new ATOM 0 HA PHE A 76 3.515 -5.669 6.792 1.00 1.11 H new ATOM 0 HB2 PHE A 76 3.289 -2.633 6.635 1.00 1.23 H new ATOM 0 HB3 PHE A 76 4.579 -3.641 6.009 1.00 1.23 H new ATOM 0 HD1 PHE A 76 2.947 -5.860 4.723 1.00 1.75 H new ATOM 0 HD2 PHE A 76 2.441 -1.593 4.698 1.00 2.38 H new ATOM 0 HE1 PHE A 76 1.756 -6.012 2.554 1.00 2.05 H new ATOM 0 HE2 PHE A 76 1.254 -1.747 2.529 1.00 2.56 H new ATOM 0 HZ PHE A 76 0.910 -3.955 1.456 1.00 1.83 H new ATOM 1207 N LEU A 77 3.007 -3.418 9.147 1.00 1.14 N ATOM 1208 CA LEU A 77 3.449 -3.005 10.507 1.00 1.42 C ATOM 1209 C LEU A 77 2.631 -3.732 11.583 1.00 1.50 C ATOM 1210 O LEU A 77 2.602 -3.319 12.727 1.00 1.83 O ATOM 1211 CB LEU A 77 3.276 -1.490 10.638 1.00 1.59 C ATOM 1212 CG LEU A 77 3.926 -0.794 9.428 1.00 1.37 C ATOM 1213 CD1 LEU A 77 3.048 0.363 8.966 1.00 1.63 C ATOM 1214 CD2 LEU A 77 5.307 -0.275 9.814 1.00 2.38 C ATOM 0 H LEU A 77 2.231 -2.878 8.764 1.00 1.14 H new ATOM 0 HA LEU A 77 4.497 -3.270 10.648 1.00 1.42 H new ATOM 0 HB2 LEU A 77 2.217 -1.237 10.691 1.00 1.59 H new ATOM 0 HB3 LEU A 77 3.734 -1.139 11.563 1.00 1.59 H new ATOM 0 HG LEU A 77 4.029 -1.511 8.613 1.00 1.37 H new ATOM 0 HD11 LEU A 77 3.512 0.852 8.110 1.00 1.63 H new ATOM 0 HD12 LEU A 77 2.067 -0.016 8.680 1.00 1.63 H new ATOM 0 HD13 LEU A 77 2.936 1.082 9.778 1.00 1.63 H new ATOM 0 HD21 LEU A 77 5.764 0.217 8.955 1.00 2.38 H new ATOM 0 HD22 LEU A 77 5.212 0.438 10.633 1.00 2.38 H new ATOM 0 HD23 LEU A 77 5.934 -1.109 10.130 1.00 2.38 H new ATOM 1226 N ALA A 78 1.974 -4.813 11.230 1.00 1.36 N ATOM 1227 CA ALA A 78 1.168 -5.563 12.237 1.00 1.48 C ATOM 1228 C ALA A 78 2.047 -6.632 12.891 1.00 1.89 C ATOM 1229 O ALA A 78 2.234 -6.645 14.092 1.00 2.38 O ATOM 1230 CB ALA A 78 -0.020 -6.233 11.543 1.00 1.34 C ATOM 0 H ALA A 78 1.963 -5.205 10.288 1.00 1.36 H new ATOM 0 HA ALA A 78 0.801 -4.875 12.998 1.00 1.48 H new ATOM 0 HB1 ALA A 78 -0.609 -6.781 12.278 1.00 1.34 H new ATOM 0 HB2 ALA A 78 -0.643 -5.472 11.073 1.00 1.34 H new ATOM 0 HB3 ALA A 78 0.345 -6.924 10.783 1.00 1.34 H new ATOM 1236 N THR A 79 2.587 -7.526 12.102 1.00 2.05 N ATOM 1237 CA THR A 79 3.457 -8.600 12.661 1.00 2.60 C ATOM 1238 C THR A 79 4.385 -9.118 11.558 1.00 3.75 C ATOM 1239 O THR A 79 4.634 -10.305 11.451 1.00 4.69 O ATOM 1240 CB THR A 79 2.586 -9.746 13.179 1.00 2.67 C ATOM 1241 OG1 THR A 79 1.413 -9.844 12.382 1.00 3.39 O ATOM 1242 CG2 THR A 79 2.197 -9.480 14.634 1.00 3.03 C ATOM 0 H THR A 79 2.461 -7.557 11.090 1.00 2.05 H new ATOM 0 HA THR A 79 4.051 -8.201 13.483 1.00 2.60 H new ATOM 0 HB THR A 79 3.144 -10.680 13.122 1.00 2.67 H new ATOM 0 HG1 THR A 79 0.854 -10.579 12.711 1.00 3.39 H new ATOM 0 HG21 THR A 79 1.577 -10.298 15.000 1.00 3.03 H new ATOM 0 HG22 THR A 79 3.097 -9.406 15.244 1.00 3.03 H new ATOM 0 HG23 THR A 79 1.639 -8.546 14.697 1.00 3.03 H new ATOM 1250 N GLY A 80 4.892 -8.234 10.738 1.00 4.25 N ATOM 1251 CA GLY A 80 5.803 -8.661 9.635 1.00 5.68 C ATOM 1252 C GLY A 80 7.251 -8.647 10.129 1.00 6.39 C ATOM 1253 O GLY A 80 8.108 -8.015 9.541 1.00 7.31 O ATOM 0 H GLY A 80 4.713 -7.231 10.785 1.00 4.25 H new ATOM 0 HA2 GLY A 80 5.534 -9.661 9.295 1.00 5.68 H new ATOM 0 HA3 GLY A 80 5.693 -7.993 8.780 1.00 5.68 H new ATOM 1257 N LYS A 81 7.526 -9.342 11.204 1.00 6.49 N ATOM 1258 CA LYS A 81 8.917 -9.378 11.743 1.00 7.74 C ATOM 1259 C LYS A 81 9.115 -10.660 12.555 1.00 8.19 C ATOM 1260 O LYS A 81 8.955 -10.670 13.761 1.00 8.14 O ATOM 1261 CB LYS A 81 9.151 -8.161 12.644 1.00 8.09 C ATOM 1262 CG LYS A 81 8.047 -8.078 13.710 1.00 7.61 C ATOM 1263 CD LYS A 81 7.139 -6.879 13.427 1.00 7.97 C ATOM 1264 CE LYS A 81 6.338 -6.536 14.684 1.00 8.12 C ATOM 1265 NZ LYS A 81 7.195 -5.758 15.623 1.00 8.91 N ATOM 0 H LYS A 81 6.844 -9.887 11.732 1.00 6.49 H new ATOM 0 HA LYS A 81 9.627 -9.357 10.916 1.00 7.74 H new ATOM 0 HB2 LYS A 81 10.127 -8.235 13.124 1.00 8.09 H new ATOM 0 HB3 LYS A 81 9.159 -7.250 12.045 1.00 8.09 H new ATOM 0 HG2 LYS A 81 7.461 -8.997 13.711 1.00 7.61 H new ATOM 0 HG3 LYS A 81 8.492 -7.982 14.700 1.00 7.61 H new ATOM 0 HD2 LYS A 81 7.737 -6.021 13.119 1.00 7.97 H new ATOM 0 HD3 LYS A 81 6.463 -7.108 12.603 1.00 7.97 H new ATOM 0 HE2 LYS A 81 5.454 -5.957 14.418 1.00 8.12 H new ATOM 0 HE3 LYS A 81 5.988 -7.449 15.166 1.00 8.12 H new ATOM 0 HZ1 LYS A 81 6.604 -5.352 16.377 1.00 8.91 H new ATOM 0 HZ2 LYS A 81 7.909 -6.387 16.043 1.00 8.91 H new ATOM 0 HZ3 LYS A 81 7.670 -4.991 15.105 1.00 8.91 H new ATOM 1279 N LEU A 82 9.463 -11.738 11.902 1.00 9.07 N ATOM 1280 CA LEU A 82 9.675 -13.025 12.626 1.00 9.82 C ATOM 1281 C LEU A 82 11.162 -13.386 12.593 1.00 11.24 C ATOM 1282 O LEU A 82 11.531 -14.524 12.363 1.00 12.24 O ATOM 1283 CB LEU A 82 8.858 -14.135 11.954 1.00 10.32 C ATOM 1284 CG LEU A 82 9.158 -14.164 10.452 1.00 11.17 C ATOM 1285 CD1 LEU A 82 9.205 -15.614 9.965 1.00 12.36 C ATOM 1286 CD2 LEU A 82 8.062 -13.407 9.693 1.00 11.10 C ATOM 0 H LEU A 82 9.610 -11.782 10.894 1.00 9.07 H new ATOM 0 HA LEU A 82 9.350 -12.919 13.661 1.00 9.82 H new ATOM 0 HB2 LEU A 82 9.100 -15.099 12.401 1.00 10.32 H new ATOM 0 HB3 LEU A 82 7.794 -13.966 12.118 1.00 10.32 H new ATOM 0 HG LEU A 82 10.121 -13.688 10.269 1.00 11.17 H new ATOM 0 HD11 LEU A 82 9.419 -15.632 8.896 1.00 12.36 H new ATOM 0 HD12 LEU A 82 9.987 -16.152 10.500 1.00 12.36 H new ATOM 0 HD13 LEU A 82 8.243 -16.092 10.151 1.00 12.36 H new ATOM 0 HD21 LEU A 82 8.278 -13.429 8.625 1.00 11.10 H new ATOM 0 HD22 LEU A 82 7.098 -13.880 9.878 1.00 11.10 H new ATOM 0 HD23 LEU A 82 8.030 -12.373 10.035 1.00 11.10 H new ATOM 1298 N ARG A 83 12.017 -12.422 12.822 1.00 11.73 N ATOM 1299 CA ARG A 83 13.484 -12.694 12.807 1.00 13.39 C ATOM 1300 C ARG A 83 14.110 -12.183 14.106 1.00 13.87 C ATOM 1301 O ARG A 83 13.866 -11.068 14.525 1.00 13.67 O ATOM 1302 CB ARG A 83 14.122 -11.975 11.616 1.00 14.31 C ATOM 1303 CG ARG A 83 13.469 -12.457 10.317 1.00 14.65 C ATOM 1304 CD ARG A 83 13.956 -13.872 9.987 1.00 15.68 C ATOM 1305 NE ARG A 83 15.026 -13.810 8.931 1.00 17.15 N ATOM 1306 CZ ARG A 83 14.842 -13.202 7.777 1.00 17.75 C ATOM 1307 NH1 ARG A 83 13.656 -12.784 7.404 1.00 17.22 N ATOM 1308 NH2 ARG A 83 15.852 -13.064 6.963 1.00 19.17 N ATOM 0 H ARG A 83 11.760 -11.455 13.019 1.00 11.73 H new ATOM 0 HA ARG A 83 13.655 -13.767 12.719 1.00 13.39 H new ATOM 0 HB2 ARG A 83 13.998 -10.897 11.720 1.00 14.31 H new ATOM 0 HB3 ARG A 83 15.194 -12.171 11.591 1.00 14.31 H new ATOM 0 HG2 ARG A 83 12.384 -12.450 10.420 1.00 14.65 H new ATOM 0 HG3 ARG A 83 13.716 -11.778 9.501 1.00 14.65 H new ATOM 0 HD2 ARG A 83 14.346 -14.351 10.885 1.00 15.68 H new ATOM 0 HD3 ARG A 83 13.122 -14.481 9.638 1.00 15.68 H new ATOM 0 HE ARG A 83 15.925 -14.254 9.115 1.00 17.15 H new ATOM 0 HH11 ARG A 83 12.850 -12.927 8.013 1.00 17.22 H new ATOM 0 HH12 ARG A 83 13.540 -12.316 6.505 1.00 17.22 H new ATOM 0 HH21 ARG A 83 16.770 -13.425 7.223 1.00 19.17 H new ATOM 0 HH22 ARG A 83 15.724 -12.595 6.066 1.00 19.17 H new ATOM 1322 N LYS A 84 14.917 -12.994 14.744 1.00 14.86 N ATOM 1323 CA LYS A 84 15.566 -12.566 16.017 1.00 15.67 C ATOM 1324 C LYS A 84 16.912 -11.910 15.705 1.00 17.06 C ATOM 1325 O LYS A 84 17.948 -12.548 15.746 1.00 18.03 O ATOM 1326 CB LYS A 84 15.789 -13.787 16.911 1.00 16.17 C ATOM 1327 CG LYS A 84 16.123 -13.327 18.331 1.00 16.51 C ATOM 1328 CD LYS A 84 15.909 -14.486 19.309 1.00 17.06 C ATOM 1329 CE LYS A 84 14.497 -14.409 19.896 1.00 16.69 C ATOM 1330 NZ LYS A 84 13.498 -14.758 18.845 1.00 16.27 N ATOM 0 H LYS A 84 15.154 -13.937 14.435 1.00 14.86 H new ATOM 0 HA LYS A 84 14.923 -11.852 16.532 1.00 15.67 H new ATOM 0 HB2 LYS A 84 14.896 -14.412 16.921 1.00 16.17 H new ATOM 0 HB3 LYS A 84 16.601 -14.397 16.515 1.00 16.17 H new ATOM 0 HG2 LYS A 84 17.156 -12.983 18.379 1.00 16.51 H new ATOM 0 HG3 LYS A 84 15.492 -12.482 18.608 1.00 16.51 H new ATOM 0 HD2 LYS A 84 16.049 -15.438 18.797 1.00 17.06 H new ATOM 0 HD3 LYS A 84 16.649 -14.442 20.108 1.00 17.06 H new ATOM 0 HE2 LYS A 84 14.406 -15.093 20.740 1.00 16.69 H new ATOM 0 HE3 LYS A 84 14.305 -13.406 20.276 1.00 16.69 H new ATOM 0 HZ1 LYS A 84 12.583 -14.970 19.292 1.00 16.27 H new ATOM 0 HZ2 LYS A 84 13.386 -13.956 18.192 1.00 16.27 H new ATOM 0 HZ3 LYS A 84 13.827 -15.591 18.317 1.00 16.27 H new ATOM 1344 N LEU A 85 16.904 -10.639 15.392 1.00 17.40 N ATOM 1345 CA LEU A 85 18.178 -9.932 15.075 1.00 18.98 C ATOM 1346 C LEU A 85 18.135 -8.513 15.648 1.00 19.62 C ATOM 1347 O LEU A 85 18.731 -7.599 15.110 1.00 20.45 O ATOM 1348 CB LEU A 85 18.358 -9.861 13.556 1.00 19.45 C ATOM 1349 CG LEU A 85 18.790 -11.231 13.028 1.00 19.82 C ATOM 1350 CD1 LEU A 85 17.556 -12.039 12.627 1.00 19.45 C ATOM 1351 CD2 LEU A 85 19.694 -11.042 11.808 1.00 20.70 C ATOM 0 H LEU A 85 16.066 -10.060 15.343 1.00 17.40 H new ATOM 0 HA LEU A 85 19.012 -10.476 15.517 1.00 18.98 H new ATOM 0 HB2 LEU A 85 17.425 -9.555 13.083 1.00 19.45 H new ATOM 0 HB3 LEU A 85 19.106 -9.110 13.303 1.00 19.45 H new ATOM 0 HG LEU A 85 19.334 -11.765 13.807 1.00 19.82 H new ATOM 0 HD11 LEU A 85 17.866 -13.014 12.251 1.00 19.45 H new ATOM 0 HD12 LEU A 85 16.911 -12.173 13.495 1.00 19.45 H new ATOM 0 HD13 LEU A 85 17.010 -11.507 11.848 1.00 19.45 H new ATOM 0 HD21 LEU A 85 20.003 -12.016 11.430 1.00 20.70 H new ATOM 0 HD22 LEU A 85 19.149 -10.507 11.030 1.00 20.70 H new ATOM 0 HD23 LEU A 85 20.575 -10.467 12.094 1.00 20.70 H new ATOM 1363 N GLU A 86 17.434 -8.326 16.738 1.00 19.49 N ATOM 1364 CA GLU A 86 17.348 -6.971 17.356 1.00 20.41 C ATOM 1365 C GLU A 86 17.414 -7.098 18.879 1.00 20.77 C ATOM 1366 O GLU A 86 17.251 -8.173 19.426 1.00 20.47 O ATOM 1367 CB GLU A 86 16.025 -6.307 16.957 1.00 20.15 C ATOM 1368 CG GLU A 86 14.850 -7.236 17.302 1.00 19.63 C ATOM 1369 CD GLU A 86 14.261 -7.825 16.017 1.00 19.71 C ATOM 1370 OE1 GLU A 86 15.032 -8.169 15.138 1.00 20.28 O ATOM 1371 OE2 GLU A 86 13.047 -7.922 15.937 1.00 19.43 O ATOM 0 H GLU A 86 16.917 -9.057 17.227 1.00 19.49 H new ATOM 0 HA GLU A 86 18.181 -6.361 17.005 1.00 20.41 H new ATOM 0 HB2 GLU A 86 15.913 -5.356 17.478 1.00 20.15 H new ATOM 0 HB3 GLU A 86 16.025 -6.088 15.889 1.00 20.15 H new ATOM 0 HG2 GLU A 86 15.189 -8.037 17.959 1.00 19.63 H new ATOM 0 HG3 GLU A 86 14.083 -6.682 17.844 1.00 19.63 H new ATOM 1378 N LYS A 87 17.652 -6.009 19.564 1.00 21.64 N ATOM 1379 CA LYS A 87 17.731 -6.056 21.054 1.00 22.33 C ATOM 1380 C LYS A 87 16.505 -5.363 21.652 1.00 22.34 C ATOM 1381 O LYS A 87 16.162 -5.677 22.780 1.00 22.57 O ATOM 1382 CB LYS A 87 19.000 -5.341 21.525 1.00 23.60 C ATOM 1383 CG LYS A 87 19.050 -3.929 20.930 1.00 24.07 C ATOM 1384 CD LYS A 87 19.998 -3.907 19.728 1.00 24.85 C ATOM 1385 CE LYS A 87 20.692 -2.546 19.648 1.00 25.97 C ATOM 1386 NZ LYS A 87 22.089 -2.729 19.160 1.00 26.99 N ATOM 1387 OXT LYS A 87 15.930 -4.530 20.971 1.00 22.33 O ATOM 0 H LYS A 87 17.795 -5.086 19.153 1.00 21.64 H new ATOM 0 HA LYS A 87 17.759 -7.095 21.381 1.00 22.33 H new ATOM 0 HB2 LYS A 87 19.016 -5.288 22.614 1.00 23.60 H new ATOM 0 HB3 LYS A 87 19.881 -5.906 21.220 1.00 23.60 H new ATOM 0 HG2 LYS A 87 18.051 -3.618 20.623 1.00 24.07 H new ATOM 0 HG3 LYS A 87 19.388 -3.218 21.684 1.00 24.07 H new ATOM 0 HD2 LYS A 87 20.740 -4.700 19.822 1.00 24.85 H new ATOM 0 HD3 LYS A 87 19.442 -4.098 18.810 1.00 24.85 H new ATOM 0 HE2 LYS A 87 20.144 -1.885 18.976 1.00 25.97 H new ATOM 0 HE3 LYS A 87 20.697 -2.070 20.629 1.00 25.97 H new ATOM 0 HZ1 LYS A 87 22.562 -1.804 19.105 1.00 26.99 H new ATOM 0 HZ2 LYS A 87 22.609 -3.345 19.818 1.00 26.99 H new ATOM 0 HZ3 LYS A 87 22.073 -3.166 18.216 1.00 26.99 H new TER 1401 LYS A 87