USER MOD reduce.3.24.130724 H: found=0, std=0, add=883, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 877 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 TYR OH : rot -68:sc= 0.331 USER MOD Set 1.2: A 80 GLN : amide:sc= 0.306 K(o=0.64,f=-0.34) USER MOD Set 2.1: A 61 ASN : amide:sc= -8.26! C(o=-8.3!,f=-11!) USER MOD Set 2.2: A 64 THR OG1 : rot 180:sc= -0.0643 USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 94:sc= 1.11 USER MOD Single : A 7 SER OG : rot -88:sc= -0.0543 USER MOD Single : A 8 CYS SG : rot 86:sc= -0.121 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -2 MET CE :methyl -166:sc= -0.0321 (180deg=-0.395) USER MOD Single : A -3 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 GLY N :NH3+ -134:sc= 0.0125 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= -0.337 (180deg=-0.361) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.843 X(o=-0.84,f=-0.79) USER MOD Single : A 26 GLN : amide:sc= -3.43! C(o=-3.4!,f=-3.5!) USER MOD Single : A 31 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0572) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.35 F(o=-2.5,f=-1.3) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -175:sc= -1.04 (180deg=-1.09) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.364 F(o=-1.2,f=-0.36) USER MOD Single : A 47 THR OG1 : rot 93:sc= 0.443 USER MOD Single : A 50 GLN : amide:sc= -1.76 X(o=-1.8,f=-1.9) USER MOD Single : A 52 GLN : amide:sc= -0.0409 X(o=-0.041,f=0) USER MOD Single : A 54 HIS : no HD1:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.0827 K(o=-0.083,f=-0.61) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 56:sc= 0.927 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 156:sc= 0.155 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -151:sc= -3.37! (180deg=-3.99) USER MOD Single : A 82 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 44:sc= 0.436 USER MOD Single : A 92 HIS :FLIP no HD1:sc= -2.09! C(o=-3.4!,f=-2.1!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -9:sc= 0.0494 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 0.725 0.538 -0.762 1.00 0.00 N ATOM 2 CA GLY A -5 1.722 0.389 -1.806 1.00 0.00 C ATOM 3 C GLY A -5 2.514 1.661 -2.037 1.00 0.00 C ATOM 4 O GLY A -5 2.823 2.388 -1.093 1.00 0.00 O ATOM 0 H1 GLY A -5 0.768 -0.280 -0.122 1.00 0.00 H new ATOM 0 H2 GLY A -5 0.913 1.408 -0.224 1.00 0.00 H new ATOM 0 H3 GLY A -5 -0.221 0.593 -1.191 1.00 0.00 H new ATOM 0 HA2 GLY A -5 2.405 -0.417 -1.539 1.00 0.00 H new ATOM 0 HA3 GLY A -5 1.231 0.097 -2.734 1.00 0.00 H new ATOM 8 N SER A -4 2.843 1.930 -3.297 1.00 0.00 N ATOM 9 CA SER A -4 3.609 3.120 -3.649 1.00 0.00 C ATOM 10 C SER A -4 2.685 4.245 -4.106 1.00 0.00 C ATOM 11 O SER A -4 3.078 5.106 -4.894 1.00 0.00 O ATOM 12 CB SER A -4 4.619 2.795 -4.750 1.00 0.00 C ATOM 13 OG SER A -4 5.112 1.474 -4.616 1.00 0.00 O ATOM 0 H SER A -4 2.591 1.340 -4.090 1.00 0.00 H new ATOM 0 HA SER A -4 4.146 3.453 -2.761 1.00 0.00 H new ATOM 0 HB2 SER A -4 4.148 2.914 -5.726 1.00 0.00 H new ATOM 0 HB3 SER A -4 5.448 3.502 -4.708 1.00 0.00 H new ATOM 0 HG SER A -4 5.755 1.290 -5.333 1.00 0.00 H new ATOM 19 N HIS A -3 1.453 4.230 -3.607 1.00 0.00 N ATOM 20 CA HIS A -3 0.471 5.249 -3.963 1.00 0.00 C ATOM 21 C HIS A -3 0.184 5.226 -5.461 1.00 0.00 C ATOM 22 O HIS A -3 0.178 6.267 -6.118 1.00 0.00 O ATOM 23 CB HIS A -3 0.968 6.634 -3.548 1.00 0.00 C ATOM 24 CG HIS A -3 1.328 6.731 -2.098 1.00 0.00 C ATOM 25 ND1 HIS A -3 0.534 6.227 -1.090 1.00 0.00 N ATOM 26 CD2 HIS A -3 2.406 7.278 -1.488 1.00 0.00 C ATOM 27 CE1 HIS A -3 1.106 6.461 0.078 1.00 0.00 C ATOM 28 NE2 HIS A -3 2.244 7.097 -0.136 1.00 0.00 N ATOM 0 H HIS A -3 1.111 3.524 -2.955 1.00 0.00 H new ATOM 0 HA HIS A -3 -0.454 5.029 -3.430 1.00 0.00 H new ATOM 0 HB2 HIS A -3 1.840 6.893 -4.149 1.00 0.00 H new ATOM 0 HB3 HIS A -3 0.196 7.370 -3.772 1.00 0.00 H new ATOM 0 HD2 HIS A -3 3.238 7.766 -1.974 1.00 0.00 H new ATOM 0 HE1 HIS A -3 0.711 6.180 1.043 1.00 0.00 H new ATOM 0 HE2 HIS A -3 2.896 7.404 0.586 1.00 0.00 H new ATOM 36 N MET A -2 -0.052 4.032 -5.996 1.00 0.00 N ATOM 37 CA MET A -2 -0.340 3.874 -7.416 1.00 0.00 C ATOM 38 C MET A -2 -1.343 2.749 -7.646 1.00 0.00 C ATOM 39 O MET A -2 -0.963 1.617 -7.944 1.00 0.00 O ATOM 40 CB MET A -2 0.948 3.591 -8.191 1.00 0.00 C ATOM 41 CG MET A -2 2.133 4.421 -7.725 1.00 0.00 C ATOM 42 SD MET A -2 3.452 4.501 -8.952 1.00 0.00 S ATOM 43 CE MET A -2 3.658 2.765 -9.341 1.00 0.00 C ATOM 0 H MET A -2 -0.049 3.160 -5.467 1.00 0.00 H new ATOM 0 HA MET A -2 -0.776 4.805 -7.778 1.00 0.00 H new ATOM 0 HB2 MET A -2 1.195 2.534 -8.095 1.00 0.00 H new ATOM 0 HB3 MET A -2 0.775 3.783 -9.250 1.00 0.00 H new ATOM 0 HG2 MET A -2 1.795 5.431 -7.494 1.00 0.00 H new ATOM 0 HG3 MET A -2 2.527 3.998 -6.801 1.00 0.00 H new ATOM 0 HE1 MET A -2 4.590 2.623 -9.888 1.00 0.00 H new ATOM 0 HE2 MET A -2 3.688 2.186 -8.418 1.00 0.00 H new ATOM 0 HE3 MET A -2 2.822 2.428 -9.954 1.00 0.00 H new ATOM 53 N ALA A -1 -2.626 3.067 -7.505 1.00 0.00 N ATOM 54 CA ALA A -1 -3.683 2.083 -7.699 1.00 0.00 C ATOM 55 C ALA A -1 -4.499 2.393 -8.949 1.00 0.00 C ATOM 56 O ALA A -1 -5.240 1.544 -9.445 1.00 0.00 O ATOM 57 CB ALA A -1 -4.587 2.031 -6.476 1.00 0.00 C ATOM 0 H ALA A -1 -2.958 3.999 -7.257 1.00 0.00 H new ATOM 0 HA ALA A -1 -3.216 1.107 -7.834 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -5.372 1.292 -6.635 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -3.999 1.754 -5.601 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -5.038 3.010 -6.315 1.00 0.00 H new ATOM 63 N SER A 1 -4.360 3.615 -9.453 1.00 0.00 N ATOM 64 CA SER A 1 -5.088 4.039 -10.644 1.00 0.00 C ATOM 65 C SER A 1 -4.910 3.032 -11.777 1.00 0.00 C ATOM 66 O SER A 1 -5.884 2.560 -12.361 1.00 0.00 O ATOM 67 CB SER A 1 -4.611 5.421 -11.094 1.00 0.00 C ATOM 68 OG SER A 1 -5.553 6.422 -10.749 1.00 0.00 O ATOM 0 H SER A 1 -3.750 4.329 -9.055 1.00 0.00 H new ATOM 0 HA SER A 1 -6.147 4.093 -10.393 1.00 0.00 H new ATOM 0 HB2 SER A 1 -3.650 5.646 -10.631 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.453 5.422 -12.173 1.00 0.00 H new ATOM 0 HG SER A 1 -5.225 7.296 -11.046 1.00 0.00 H new ATOM 74 N ALA A 2 -3.657 2.710 -12.081 1.00 0.00 N ATOM 75 CA ALA A 2 -3.349 1.759 -13.142 1.00 0.00 C ATOM 76 C ALA A 2 -3.857 0.364 -12.793 1.00 0.00 C ATOM 77 O ALA A 2 -4.059 -0.472 -13.674 1.00 0.00 O ATOM 78 CB ALA A 2 -1.850 1.727 -13.404 1.00 0.00 C ATOM 0 H ALA A 2 -2.839 3.094 -11.608 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.858 2.086 -14.049 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.635 1.013 -14.199 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.512 2.718 -13.706 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.328 1.427 -12.495 1.00 0.00 H new ATOM 84 N ASP A 3 -4.061 0.119 -11.503 1.00 0.00 N ATOM 85 CA ASP A 3 -4.546 -1.175 -11.038 1.00 0.00 C ATOM 86 C ASP A 3 -6.047 -1.310 -11.275 1.00 0.00 C ATOM 87 O ASP A 3 -6.524 -2.353 -11.724 1.00 0.00 O ATOM 88 CB ASP A 3 -4.233 -1.357 -9.552 1.00 0.00 C ATOM 89 CG ASP A 3 -4.018 -2.811 -9.180 1.00 0.00 C ATOM 90 OD1 ASP A 3 -5.018 -3.511 -8.916 1.00 0.00 O ATOM 91 OD2 ASP A 3 -2.848 -3.248 -9.153 1.00 0.00 O ATOM 0 H ASP A 3 -3.898 0.800 -10.761 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.035 -1.952 -11.606 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.341 -0.784 -9.299 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.052 -0.950 -8.959 1.00 0.00 H new ATOM 96 N LEU A 4 -6.787 -0.250 -10.969 1.00 0.00 N ATOM 97 CA LEU A 4 -8.234 -0.250 -11.147 1.00 0.00 C ATOM 98 C LEU A 4 -8.601 -0.242 -12.628 1.00 0.00 C ATOM 99 O LEU A 4 -9.522 -0.938 -13.054 1.00 0.00 O ATOM 100 CB LEU A 4 -8.854 0.963 -10.451 1.00 0.00 C ATOM 101 CG LEU A 4 -10.382 1.008 -10.413 1.00 0.00 C ATOM 102 CD1 LEU A 4 -10.862 1.832 -9.229 1.00 0.00 C ATOM 103 CD2 LEU A 4 -10.931 1.571 -11.715 1.00 0.00 C ATOM 0 H LEU A 4 -6.408 0.621 -10.596 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.630 -1.161 -10.698 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.484 0.997 -9.426 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.496 1.864 -10.949 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.754 -0.010 -10.295 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.952 1.853 -9.218 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.498 1.385 -8.304 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.480 2.849 -9.315 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.020 1.596 -11.670 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.551 2.582 -11.863 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.616 0.940 -12.546 1.00 0.00 H new ATOM 115 N VAL A 5 -7.871 0.549 -13.409 1.00 0.00 N ATOM 116 CA VAL A 5 -8.117 0.645 -14.843 1.00 0.00 C ATOM 117 C VAL A 5 -7.747 -0.653 -15.552 1.00 0.00 C ATOM 118 O VAL A 5 -8.542 -1.205 -16.313 1.00 0.00 O ATOM 119 CB VAL A 5 -7.322 1.805 -15.472 1.00 0.00 C ATOM 120 CG1 VAL A 5 -7.515 1.828 -16.980 1.00 0.00 C ATOM 121 CG2 VAL A 5 -7.738 3.132 -14.853 1.00 0.00 C ATOM 0 H VAL A 5 -7.105 1.132 -13.073 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.183 0.834 -14.970 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.263 1.650 -15.268 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.946 2.654 -17.407 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.165 0.888 -17.406 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.572 1.959 -17.210 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.167 3.941 -15.309 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.802 3.297 -15.026 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.544 3.110 -13.781 1.00 0.00 H new ATOM 131 N SER A 6 -6.535 -1.135 -15.297 1.00 0.00 N ATOM 132 CA SER A 6 -6.058 -2.367 -15.913 1.00 0.00 C ATOM 133 C SER A 6 -6.934 -3.550 -15.513 1.00 0.00 C ATOM 134 O SER A 6 -7.207 -4.437 -16.323 1.00 0.00 O ATOM 135 CB SER A 6 -4.606 -2.635 -15.511 1.00 0.00 C ATOM 136 OG SER A 6 -3.740 -1.642 -16.035 1.00 0.00 O ATOM 0 H SER A 6 -5.866 -0.691 -14.668 1.00 0.00 H new ATOM 0 HA SER A 6 -6.112 -2.247 -16.995 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.524 -2.657 -14.424 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.300 -3.617 -15.873 1.00 0.00 H new ATOM 0 HG SER A 6 -3.613 -0.934 -15.369 1.00 0.00 H new ATOM 142 N SER A 7 -7.372 -3.556 -14.258 1.00 0.00 N ATOM 143 CA SER A 7 -8.215 -4.631 -13.748 1.00 0.00 C ATOM 144 C SER A 7 -9.626 -4.534 -14.320 1.00 0.00 C ATOM 145 O SER A 7 -10.151 -5.500 -14.873 1.00 0.00 O ATOM 146 CB SER A 7 -8.268 -4.585 -12.220 1.00 0.00 C ATOM 147 OG SER A 7 -8.915 -3.408 -11.767 1.00 0.00 O ATOM 0 H SER A 7 -7.157 -2.829 -13.576 1.00 0.00 H new ATOM 0 HA SER A 7 -7.779 -5.580 -14.061 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.796 -5.461 -11.845 1.00 0.00 H new ATOM 0 HB3 SER A 7 -7.256 -4.626 -11.817 1.00 0.00 H new ATOM 0 HG SER A 7 -8.259 -2.685 -11.685 1.00 0.00 H new ATOM 153 N CYS A 8 -10.233 -3.360 -14.182 1.00 0.00 N ATOM 154 CA CYS A 8 -11.584 -3.135 -14.684 1.00 0.00 C ATOM 155 C CYS A 8 -11.647 -3.352 -16.193 1.00 0.00 C ATOM 156 O CYS A 8 -12.610 -3.918 -16.710 1.00 0.00 O ATOM 157 CB CYS A 8 -12.049 -1.719 -14.340 1.00 0.00 C ATOM 158 SG CYS A 8 -12.530 -1.500 -12.611 1.00 0.00 S ATOM 0 H CYS A 8 -9.811 -2.550 -13.727 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.248 -3.854 -14.204 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.248 -1.018 -14.575 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -12.895 -1.461 -14.977 1.00 0.00 H new ATOM 0 HG CYS A 8 -11.476 -1.233 -11.898 1.00 0.00 H new ATOM 164 N LYS A 9 -10.614 -2.895 -16.894 1.00 0.00 N ATOM 165 CA LYS A 9 -10.551 -3.038 -18.344 1.00 0.00 C ATOM 166 C LYS A 9 -10.408 -4.504 -18.740 1.00 0.00 C ATOM 167 O LYS A 9 -11.194 -5.022 -19.533 1.00 0.00 O ATOM 168 CB LYS A 9 -9.379 -2.230 -18.905 1.00 0.00 C ATOM 169 CG LYS A 9 -9.052 -2.557 -20.352 1.00 0.00 C ATOM 170 CD LYS A 9 -7.724 -3.285 -20.472 1.00 0.00 C ATOM 171 CE LYS A 9 -7.845 -4.525 -21.345 1.00 0.00 C ATOM 172 NZ LYS A 9 -7.762 -4.193 -22.794 1.00 0.00 N ATOM 0 H LYS A 9 -9.810 -2.423 -16.481 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.482 -2.656 -18.763 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.609 -1.168 -18.825 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.496 -2.412 -18.292 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.845 -3.173 -20.775 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.018 -1.637 -20.935 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.976 -2.613 -20.894 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.373 -3.570 -19.480 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.054 -5.229 -21.088 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.793 -5.022 -21.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.849 -5.064 -23.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.532 -3.541 -23.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.847 -3.741 -22.995 1.00 0.00 H new ATOM 186 N ASP A 10 -9.400 -5.167 -18.184 1.00 0.00 N ATOM 187 CA ASP A 10 -9.156 -6.574 -18.477 1.00 0.00 C ATOM 188 C ASP A 10 -10.428 -7.396 -18.296 1.00 0.00 C ATOM 189 O ASP A 10 -10.780 -8.211 -19.149 1.00 0.00 O ATOM 190 CB ASP A 10 -8.048 -7.121 -17.575 1.00 0.00 C ATOM 191 CG ASP A 10 -7.856 -8.616 -17.735 1.00 0.00 C ATOM 192 OD1 ASP A 10 -8.592 -9.381 -17.077 1.00 0.00 O ATOM 193 OD2 ASP A 10 -6.971 -9.021 -18.517 1.00 0.00 O ATOM 0 H ASP A 10 -8.739 -4.752 -17.528 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.839 -6.653 -19.517 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.112 -6.611 -17.804 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.287 -6.898 -16.535 1.00 0.00 H new ATOM 198 N LYS A 11 -11.113 -7.177 -17.179 1.00 0.00 N ATOM 199 CA LYS A 11 -12.347 -7.897 -16.885 1.00 0.00 C ATOM 200 C LYS A 11 -13.472 -7.451 -17.813 1.00 0.00 C ATOM 201 O LYS A 11 -14.121 -8.275 -18.459 1.00 0.00 O ATOM 202 CB LYS A 11 -12.756 -7.674 -15.427 1.00 0.00 C ATOM 203 CG LYS A 11 -12.282 -8.770 -14.488 1.00 0.00 C ATOM 204 CD LYS A 11 -10.897 -8.474 -13.939 1.00 0.00 C ATOM 205 CE LYS A 11 -10.968 -7.665 -12.653 1.00 0.00 C ATOM 206 NZ LYS A 11 -9.731 -7.811 -11.837 1.00 0.00 N ATOM 0 H LYS A 11 -10.835 -6.507 -16.462 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.166 -8.959 -17.047 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.356 -6.719 -15.088 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.842 -7.603 -15.370 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.987 -8.873 -13.663 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.269 -9.723 -15.017 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.371 -9.410 -13.752 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.319 -7.926 -14.683 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.122 -6.613 -12.894 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.829 -7.988 -12.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.768 -7.155 -11.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.660 -8.788 -11.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.900 -7.592 -12.423 1.00 0.00 H new ATOM 220 N LEU A 12 -13.697 -6.143 -17.877 1.00 0.00 N ATOM 221 CA LEU A 12 -14.743 -5.587 -18.728 1.00 0.00 C ATOM 222 C LEU A 12 -14.619 -6.111 -20.155 1.00 0.00 C ATOM 223 O LEU A 12 -15.615 -6.463 -20.786 1.00 0.00 O ATOM 224 CB LEU A 12 -14.672 -4.059 -18.726 1.00 0.00 C ATOM 225 CG LEU A 12 -15.787 -3.334 -19.479 1.00 0.00 C ATOM 226 CD1 LEU A 12 -16.688 -2.587 -18.509 1.00 0.00 C ATOM 227 CD2 LEU A 12 -15.201 -2.379 -20.509 1.00 0.00 C ATOM 0 H LEU A 12 -13.169 -5.448 -17.350 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.707 -5.900 -18.328 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.678 -3.716 -17.691 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.716 -3.759 -19.156 1.00 0.00 H new ATOM 0 HG LEU A 12 -16.389 -4.077 -20.002 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -17.476 -2.077 -19.063 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -17.135 -3.294 -17.810 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -16.100 -1.854 -17.957 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -16.009 -1.871 -21.036 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.575 -1.641 -20.007 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -14.598 -2.940 -21.223 1.00 0.00 H new ATOM 239 N ALA A 13 -13.389 -6.161 -20.657 1.00 0.00 N ATOM 240 CA ALA A 13 -13.135 -6.646 -22.008 1.00 0.00 C ATOM 241 C ALA A 13 -13.387 -8.147 -22.109 1.00 0.00 C ATOM 242 O ALA A 13 -13.998 -8.620 -23.067 1.00 0.00 O ATOM 243 CB ALA A 13 -11.709 -6.319 -22.426 1.00 0.00 C ATOM 0 H ALA A 13 -12.554 -5.872 -20.148 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.825 -6.142 -22.685 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.533 -6.687 -23.437 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.561 -5.239 -22.402 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.010 -6.796 -21.739 1.00 0.00 H new ATOM 249 N TYR A 14 -12.911 -8.890 -21.116 1.00 0.00 N ATOM 250 CA TYR A 14 -13.081 -10.338 -21.096 1.00 0.00 C ATOM 251 C TYR A 14 -14.538 -10.710 -20.834 1.00 0.00 C ATOM 252 O TYR A 14 -14.944 -11.854 -21.039 1.00 0.00 O ATOM 253 CB TYR A 14 -12.184 -10.963 -20.027 1.00 0.00 C ATOM 254 CG TYR A 14 -12.191 -12.475 -20.039 1.00 0.00 C ATOM 255 CD1 TYR A 14 -12.206 -13.179 -21.237 1.00 0.00 C ATOM 256 CD2 TYR A 14 -12.183 -13.199 -18.853 1.00 0.00 C ATOM 257 CE1 TYR A 14 -12.213 -14.561 -21.253 1.00 0.00 C ATOM 258 CE2 TYR A 14 -12.188 -14.580 -18.860 1.00 0.00 C ATOM 259 CZ TYR A 14 -12.204 -15.257 -20.062 1.00 0.00 C ATOM 260 OH TYR A 14 -12.211 -16.633 -20.073 1.00 0.00 O ATOM 0 H TYR A 14 -12.405 -8.514 -20.315 1.00 0.00 H new ATOM 0 HA TYR A 14 -12.794 -10.726 -22.073 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -11.162 -10.612 -20.171 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.506 -10.614 -19.046 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -12.212 -12.637 -22.171 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -12.173 -12.673 -17.910 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -12.225 -15.093 -22.193 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.179 -15.127 -17.929 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.202 -16.968 -19.152 1.00 0.00 H new ATOM 270 N PHE A 15 -15.319 -9.736 -20.381 1.00 0.00 N ATOM 271 CA PHE A 15 -16.730 -9.960 -20.091 1.00 0.00 C ATOM 272 C PHE A 15 -17.608 -9.434 -21.222 1.00 0.00 C ATOM 273 O PHE A 15 -17.381 -8.342 -21.743 1.00 0.00 O ATOM 274 CB PHE A 15 -17.116 -9.282 -18.774 1.00 0.00 C ATOM 275 CG PHE A 15 -16.882 -10.144 -17.566 1.00 0.00 C ATOM 276 CD1 PHE A 15 -17.543 -11.353 -17.423 1.00 0.00 C ATOM 277 CD2 PHE A 15 -16.002 -9.744 -16.573 1.00 0.00 C ATOM 278 CE1 PHE A 15 -17.330 -12.147 -16.312 1.00 0.00 C ATOM 279 CE2 PHE A 15 -15.785 -10.534 -15.460 1.00 0.00 C ATOM 280 CZ PHE A 15 -16.450 -11.738 -15.330 1.00 0.00 C ATOM 0 H PHE A 15 -14.999 -8.783 -20.207 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.890 -11.034 -20.000 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -16.545 -8.359 -18.668 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -18.169 -9.003 -18.813 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -18.232 -11.679 -18.188 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -15.480 -8.804 -16.670 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -17.852 -13.087 -16.212 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -15.097 -10.211 -14.693 1.00 0.00 H new ATOM 0 HZ PHE A 15 -16.282 -12.358 -14.462 1.00 0.00 H new ATOM 290 N ARG A 16 -18.612 -10.220 -21.598 1.00 0.00 N ATOM 291 CA ARG A 16 -19.524 -9.835 -22.669 1.00 0.00 C ATOM 292 C ARG A 16 -20.131 -8.462 -22.399 1.00 0.00 C ATOM 293 O ARG A 16 -19.890 -7.861 -21.352 1.00 0.00 O ATOM 294 CB ARG A 16 -20.636 -10.875 -22.819 1.00 0.00 C ATOM 295 CG ARG A 16 -20.129 -12.308 -22.847 1.00 0.00 C ATOM 296 CD ARG A 16 -20.846 -13.132 -23.905 1.00 0.00 C ATOM 297 NE ARG A 16 -20.865 -14.554 -23.572 1.00 0.00 N ATOM 298 CZ ARG A 16 -21.400 -15.485 -24.354 1.00 0.00 C ATOM 299 NH1 ARG A 16 -21.956 -15.146 -25.509 1.00 0.00 N ATOM 300 NH2 ARG A 16 -21.378 -16.758 -23.982 1.00 0.00 N ATOM 0 H ARG A 16 -18.814 -11.127 -21.177 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.954 -9.785 -23.597 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -21.340 -10.764 -21.994 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -21.187 -10.675 -23.738 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -19.057 -12.312 -23.046 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -20.274 -12.765 -21.868 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -21.869 -12.771 -24.013 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -20.355 -12.992 -24.868 1.00 0.00 H new ATOM 0 HE ARG A 16 -20.444 -14.848 -22.691 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -21.974 -14.168 -25.799 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -22.366 -15.863 -26.108 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -20.950 -17.023 -23.095 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -21.789 -17.472 -24.583 1.00 0.00 H new ATOM 314 N ILE A 17 -20.917 -7.971 -23.351 1.00 0.00 N ATOM 315 CA ILE A 17 -21.558 -6.669 -23.216 1.00 0.00 C ATOM 316 C ILE A 17 -22.316 -6.564 -21.897 1.00 0.00 C ATOM 317 O ILE A 17 -22.540 -5.468 -21.382 1.00 0.00 O ATOM 318 CB ILE A 17 -22.532 -6.397 -24.378 1.00 0.00 C ATOM 319 CG1 ILE A 17 -21.845 -6.658 -25.719 1.00 0.00 C ATOM 320 CG2 ILE A 17 -23.051 -4.969 -24.311 1.00 0.00 C ATOM 321 CD1 ILE A 17 -22.445 -5.877 -26.868 1.00 0.00 C ATOM 0 H ILE A 17 -21.125 -8.455 -24.224 1.00 0.00 H new ATOM 0 HA ILE A 17 -20.764 -5.923 -23.237 1.00 0.00 H new ATOM 0 HB ILE A 17 -23.381 -7.075 -24.288 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -20.788 -6.406 -25.632 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -21.901 -7.723 -25.946 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -23.738 -4.792 -25.139 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.573 -4.816 -23.367 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -22.214 -4.274 -24.380 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -21.908 -6.112 -27.787 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -23.495 -6.147 -26.982 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.365 -4.809 -26.663 1.00 0.00 H new ATOM 333 N LYS A 18 -22.708 -7.711 -21.353 1.00 0.00 N ATOM 334 CA LYS A 18 -23.438 -7.751 -20.092 1.00 0.00 C ATOM 335 C LYS A 18 -22.787 -6.839 -19.057 1.00 0.00 C ATOM 336 O LYS A 18 -23.454 -6.011 -18.438 1.00 0.00 O ATOM 337 CB LYS A 18 -23.498 -9.184 -19.558 1.00 0.00 C ATOM 338 CG LYS A 18 -24.913 -9.713 -19.395 1.00 0.00 C ATOM 339 CD LYS A 18 -25.543 -10.042 -20.738 1.00 0.00 C ATOM 340 CE LYS A 18 -26.792 -9.210 -20.986 1.00 0.00 C ATOM 341 NZ LYS A 18 -27.695 -9.849 -21.984 1.00 0.00 N ATOM 0 H LYS A 18 -22.532 -8.627 -21.767 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.452 -7.396 -20.277 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -22.950 -9.839 -20.236 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -22.990 -9.225 -18.594 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -24.899 -10.606 -18.770 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -25.522 -8.972 -18.878 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.820 -9.862 -21.534 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -25.797 -11.101 -20.772 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -27.328 -9.071 -20.047 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -26.505 -8.219 -21.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -28.534 -9.251 -22.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -27.192 -9.958 -22.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.990 -10.784 -21.637 1.00 0.00 H new ATOM 355 N GLU A 19 -21.479 -6.996 -18.876 1.00 0.00 N ATOM 356 CA GLU A 19 -20.738 -6.186 -17.916 1.00 0.00 C ATOM 357 C GLU A 19 -20.891 -4.700 -18.226 1.00 0.00 C ATOM 358 O GLU A 19 -21.309 -3.915 -17.374 1.00 0.00 O ATOM 359 CB GLU A 19 -19.258 -6.571 -17.925 1.00 0.00 C ATOM 360 CG GLU A 19 -18.778 -7.180 -16.618 1.00 0.00 C ATOM 361 CD GLU A 19 -18.723 -6.169 -15.489 1.00 0.00 C ATOM 362 OE1 GLU A 19 -18.245 -5.040 -15.727 1.00 0.00 O ATOM 363 OE2 GLU A 19 -19.158 -6.507 -14.368 1.00 0.00 O ATOM 0 H GLU A 19 -20.911 -7.676 -19.381 1.00 0.00 H new ATOM 0 HA GLU A 19 -21.149 -6.377 -16.925 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.081 -7.281 -18.733 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.662 -5.685 -18.143 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -19.442 -7.997 -16.337 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.787 -7.610 -16.764 1.00 0.00 H new ATOM 370 N LEU A 20 -20.549 -4.319 -19.452 1.00 0.00 N ATOM 371 CA LEU A 20 -20.647 -2.927 -19.877 1.00 0.00 C ATOM 372 C LEU A 20 -22.054 -2.385 -19.643 1.00 0.00 C ATOM 373 O LEU A 20 -22.233 -1.351 -18.998 1.00 0.00 O ATOM 374 CB LEU A 20 -20.277 -2.797 -21.355 1.00 0.00 C ATOM 375 CG LEU A 20 -18.791 -2.608 -21.661 1.00 0.00 C ATOM 376 CD1 LEU A 20 -18.127 -3.950 -21.931 1.00 0.00 C ATOM 377 CD2 LEU A 20 -18.605 -1.672 -22.846 1.00 0.00 C ATOM 0 H LEU A 20 -20.201 -4.955 -20.170 1.00 0.00 H new ATOM 0 HA LEU A 20 -19.947 -2.340 -19.281 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -20.624 -3.690 -21.876 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -20.824 -1.952 -21.773 1.00 0.00 H new ATOM 0 HG LEU A 20 -18.315 -2.158 -20.790 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.070 -3.796 -22.147 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.229 -4.589 -21.054 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -18.606 -4.428 -22.786 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.541 -1.549 -23.049 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -19.096 -2.094 -23.723 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -19.045 -0.702 -22.616 1.00 0.00 H new ATOM 389 N LYS A 21 -23.049 -3.089 -20.170 1.00 0.00 N ATOM 390 CA LYS A 21 -24.441 -2.682 -20.017 1.00 0.00 C ATOM 391 C LYS A 21 -24.743 -2.314 -18.568 1.00 0.00 C ATOM 392 O LYS A 21 -25.376 -1.293 -18.296 1.00 0.00 O ATOM 393 CB LYS A 21 -25.376 -3.803 -20.475 1.00 0.00 C ATOM 394 CG LYS A 21 -26.311 -3.393 -21.599 1.00 0.00 C ATOM 395 CD LYS A 21 -27.240 -2.270 -21.171 1.00 0.00 C ATOM 396 CE LYS A 21 -28.642 -2.461 -21.729 1.00 0.00 C ATOM 397 NZ LYS A 21 -29.232 -1.177 -22.199 1.00 0.00 N ATOM 0 H LYS A 21 -22.918 -3.946 -20.708 1.00 0.00 H new ATOM 0 HA LYS A 21 -24.607 -1.803 -20.640 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.777 -4.653 -20.803 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.969 -4.140 -19.625 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -25.726 -3.073 -22.461 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.901 -4.254 -21.915 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -27.283 -2.228 -20.083 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -26.839 -1.315 -21.511 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -28.610 -3.170 -22.556 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -29.282 -2.895 -20.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -30.187 -1.350 -22.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -29.286 -0.508 -21.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -28.635 -0.775 -22.950 1.00 0.00 H new ATOM 411 N ASP A 22 -24.287 -3.150 -17.642 1.00 0.00 N ATOM 412 CA ASP A 22 -24.507 -2.911 -16.220 1.00 0.00 C ATOM 413 C ASP A 22 -23.913 -1.571 -15.796 1.00 0.00 C ATOM 414 O ASP A 22 -24.538 -0.811 -15.055 1.00 0.00 O ATOM 415 CB ASP A 22 -23.894 -4.040 -15.391 1.00 0.00 C ATOM 416 CG ASP A 22 -24.895 -5.132 -15.068 1.00 0.00 C ATOM 417 OD1 ASP A 22 -26.016 -4.797 -14.630 1.00 0.00 O ATOM 418 OD2 ASP A 22 -24.558 -6.320 -15.253 1.00 0.00 O ATOM 0 H ASP A 22 -23.762 -4.000 -17.850 1.00 0.00 H new ATOM 0 HA ASP A 22 -25.582 -2.883 -16.043 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -23.054 -4.471 -15.935 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -23.496 -3.630 -14.463 1.00 0.00 H new ATOM 423 N ILE A 23 -22.704 -1.289 -16.270 1.00 0.00 N ATOM 424 CA ILE A 23 -22.027 -0.042 -15.940 1.00 0.00 C ATOM 425 C ILE A 23 -22.873 1.164 -16.335 1.00 0.00 C ATOM 426 O ILE A 23 -23.135 2.047 -15.517 1.00 0.00 O ATOM 427 CB ILE A 23 -20.657 0.056 -16.636 1.00 0.00 C ATOM 428 CG1 ILE A 23 -19.802 -1.169 -16.304 1.00 0.00 C ATOM 429 CG2 ILE A 23 -19.943 1.335 -16.223 1.00 0.00 C ATOM 430 CD1 ILE A 23 -19.702 -1.451 -14.821 1.00 0.00 C ATOM 0 H ILE A 23 -22.174 -1.908 -16.884 1.00 0.00 H new ATOM 0 HA ILE A 23 -21.878 -0.040 -14.860 1.00 0.00 H new ATOM 0 HB ILE A 23 -20.815 0.083 -17.714 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -20.222 -2.042 -16.804 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -18.800 -1.023 -16.706 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.976 1.390 -16.723 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -20.547 2.197 -16.506 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -19.793 1.336 -15.143 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -19.082 -2.332 -14.659 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -19.254 -0.594 -14.317 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -20.698 -1.630 -14.417 1.00 0.00 H new ATOM 442 N LEU A 24 -23.299 1.195 -17.593 1.00 0.00 N ATOM 443 CA LEU A 24 -24.118 2.292 -18.097 1.00 0.00 C ATOM 444 C LEU A 24 -25.448 2.363 -17.355 1.00 0.00 C ATOM 445 O LEU A 24 -25.846 3.424 -16.875 1.00 0.00 O ATOM 446 CB LEU A 24 -24.366 2.122 -19.596 1.00 0.00 C ATOM 447 CG LEU A 24 -23.119 1.974 -20.470 1.00 0.00 C ATOM 448 CD1 LEU A 24 -21.899 2.536 -19.759 1.00 0.00 C ATOM 449 CD2 LEU A 24 -22.898 0.514 -20.841 1.00 0.00 C ATOM 0 H LEU A 24 -23.091 0.473 -18.283 1.00 0.00 H new ATOM 0 HA LEU A 24 -23.578 3.224 -17.928 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -24.994 1.244 -19.743 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -24.933 2.983 -19.950 1.00 0.00 H new ATOM 0 HG LEU A 24 -23.272 2.542 -21.388 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -21.022 2.422 -20.396 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -22.057 3.593 -19.545 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -21.742 1.997 -18.825 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -22.007 0.427 -21.463 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -22.766 -0.076 -19.934 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -23.762 0.144 -21.392 1.00 0.00 H new ATOM 461 N ASN A 25 -26.131 1.227 -17.262 1.00 0.00 N ATOM 462 CA ASN A 25 -27.416 1.160 -16.577 1.00 0.00 C ATOM 463 C ASN A 25 -27.346 1.854 -15.220 1.00 0.00 C ATOM 464 O ASN A 25 -28.315 2.470 -14.776 1.00 0.00 O ATOM 465 CB ASN A 25 -27.846 -0.297 -16.395 1.00 0.00 C ATOM 466 CG ASN A 25 -28.036 -0.666 -14.937 1.00 0.00 C ATOM 467 OD1 ASN A 25 -29.079 -0.389 -14.345 1.00 0.00 O ATOM 468 ND2 ASN A 25 -27.024 -1.295 -14.349 1.00 0.00 N ATOM 0 H ASN A 25 -25.815 0.339 -17.653 1.00 0.00 H new ATOM 0 HA ASN A 25 -28.154 1.675 -17.192 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -28.778 -0.468 -16.935 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -27.096 -0.952 -16.838 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -27.094 -1.568 -13.369 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -26.177 -1.505 -14.878 1.00 0.00 H new ATOM 475 N GLN A 26 -26.192 1.750 -14.568 1.00 0.00 N ATOM 476 CA GLN A 26 -25.996 2.368 -13.262 1.00 0.00 C ATOM 477 C GLN A 26 -25.770 3.870 -13.398 1.00 0.00 C ATOM 478 O GLN A 26 -26.231 4.656 -12.570 1.00 0.00 O ATOM 479 CB GLN A 26 -24.808 1.725 -12.543 1.00 0.00 C ATOM 480 CG GLN A 26 -25.111 0.344 -11.984 1.00 0.00 C ATOM 481 CD GLN A 26 -23.863 -0.392 -11.539 1.00 0.00 C ATOM 482 OE1 GLN A 26 -23.794 -0.900 -10.420 1.00 0.00 O ATOM 483 NE2 GLN A 26 -22.867 -0.453 -12.415 1.00 0.00 N ATOM 0 H GLN A 26 -25.380 1.244 -14.922 1.00 0.00 H new ATOM 0 HA GLN A 26 -26.899 2.207 -12.673 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -23.970 1.651 -13.237 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -24.491 2.376 -11.728 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -25.792 0.440 -11.139 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -25.625 -0.246 -12.743 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -22.967 -0.018 -13.332 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -22.002 -0.935 -12.171 1.00 0.00 H new ATOM 492 N LEU A 27 -25.057 4.263 -14.448 1.00 0.00 N ATOM 493 CA LEU A 27 -24.768 5.672 -14.694 1.00 0.00 C ATOM 494 C LEU A 27 -25.952 6.360 -15.366 1.00 0.00 C ATOM 495 O LEU A 27 -25.941 7.573 -15.575 1.00 0.00 O ATOM 496 CB LEU A 27 -23.519 5.813 -15.565 1.00 0.00 C ATOM 497 CG LEU A 27 -23.757 6.230 -17.017 1.00 0.00 C ATOM 498 CD1 LEU A 27 -23.718 7.744 -17.150 1.00 0.00 C ATOM 499 CD2 LEU A 27 -22.726 5.586 -17.932 1.00 0.00 C ATOM 0 H LEU A 27 -24.668 3.626 -15.143 1.00 0.00 H new ATOM 0 HA LEU A 27 -24.588 6.154 -13.733 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -22.858 6.545 -15.101 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -22.990 4.860 -15.564 1.00 0.00 H new ATOM 0 HG LEU A 27 -24.746 5.885 -17.317 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -23.889 8.022 -18.190 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -24.494 8.184 -16.524 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -22.743 8.112 -16.832 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -22.910 5.894 -18.961 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -21.726 5.901 -17.633 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -22.802 4.501 -17.859 1.00 0.00 H new ATOM 511 N GLY A 28 -26.973 5.578 -15.703 1.00 0.00 N ATOM 512 CA GLY A 28 -28.150 6.130 -16.346 1.00 0.00 C ATOM 513 C GLY A 28 -28.305 5.656 -17.778 1.00 0.00 C ATOM 514 O GLY A 28 -28.651 6.437 -18.665 1.00 0.00 O ATOM 0 H GLY A 28 -27.005 4.571 -15.542 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -29.036 5.851 -15.776 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -28.092 7.218 -16.331 1.00 0.00 H new ATOM 518 N LEU A 29 -28.047 4.373 -18.005 1.00 0.00 N ATOM 519 CA LEU A 29 -28.157 3.795 -19.340 1.00 0.00 C ATOM 520 C LEU A 29 -27.023 4.278 -20.238 1.00 0.00 C ATOM 521 O LEU A 29 -26.446 5.346 -20.031 1.00 0.00 O ATOM 522 CB LEU A 29 -29.506 4.157 -19.964 1.00 0.00 C ATOM 523 CG LEU A 29 -30.714 4.106 -19.027 1.00 0.00 C ATOM 524 CD1 LEU A 29 -31.359 5.479 -18.912 1.00 0.00 C ATOM 525 CD2 LEU A 29 -31.725 3.079 -19.515 1.00 0.00 C ATOM 0 H LEU A 29 -27.760 3.713 -17.282 1.00 0.00 H new ATOM 0 HA LEU A 29 -28.085 2.711 -19.247 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -29.434 5.163 -20.377 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -29.690 3.481 -20.799 1.00 0.00 H new ATOM 0 HG LEU A 29 -30.369 3.805 -18.038 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -32.217 5.423 -18.241 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -30.634 6.190 -18.515 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -31.689 5.809 -19.897 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -32.577 3.057 -18.836 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -32.064 3.349 -20.515 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -31.258 2.094 -19.544 1.00 0.00 H new ATOM 537 N PRO A 30 -26.696 3.475 -21.262 1.00 0.00 N ATOM 538 CA PRO A 30 -25.630 3.802 -22.214 1.00 0.00 C ATOM 539 C PRO A 30 -26.001 4.970 -23.121 1.00 0.00 C ATOM 540 O PRO A 30 -27.106 5.507 -23.040 1.00 0.00 O ATOM 541 CB PRO A 30 -25.480 2.517 -23.033 1.00 0.00 C ATOM 542 CG PRO A 30 -26.807 1.847 -22.932 1.00 0.00 C ATOM 543 CD PRO A 30 -27.342 2.188 -21.569 1.00 0.00 C ATOM 0 HA PRO A 30 -24.715 4.113 -21.710 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -25.225 2.736 -24.070 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -24.686 1.885 -22.636 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -27.481 2.197 -23.714 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -26.710 0.768 -23.054 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -28.429 2.275 -21.574 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -27.086 1.425 -20.834 1.00 0.00 H new ATOM 551 N LYS A 31 -25.071 5.361 -23.986 1.00 0.00 N ATOM 552 CA LYS A 31 -25.299 6.465 -24.910 1.00 0.00 C ATOM 553 C LYS A 31 -24.091 6.675 -25.817 1.00 0.00 C ATOM 554 O LYS A 31 -23.811 7.795 -26.243 1.00 0.00 O ATOM 555 CB LYS A 31 -25.599 7.751 -24.136 1.00 0.00 C ATOM 556 CG LYS A 31 -24.619 8.025 -23.009 1.00 0.00 C ATOM 557 CD LYS A 31 -24.680 9.474 -22.557 1.00 0.00 C ATOM 558 CE LYS A 31 -23.667 10.333 -23.297 1.00 0.00 C ATOM 559 NZ LYS A 31 -24.302 11.129 -24.384 1.00 0.00 N ATOM 0 H LYS A 31 -24.151 4.928 -24.066 1.00 0.00 H new ATOM 0 HA LYS A 31 -26.158 6.213 -25.532 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -25.588 8.593 -24.828 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -26.606 7.690 -23.724 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -24.840 7.370 -22.166 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -23.608 7.788 -23.339 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -25.683 9.866 -22.725 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -24.491 9.530 -21.485 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -23.178 11.006 -22.592 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -22.891 9.696 -23.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -23.619 11.822 -24.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -24.597 10.494 -25.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -25.134 11.628 -24.009 1.00 0.00 H new ATOM 573 N GLN A 32 -23.380 5.590 -26.108 1.00 0.00 N ATOM 574 CA GLN A 32 -22.202 5.657 -26.965 1.00 0.00 C ATOM 575 C GLN A 32 -22.392 4.807 -28.218 1.00 0.00 C ATOM 576 O GLN A 32 -23.493 4.337 -28.500 1.00 0.00 O ATOM 577 CB GLN A 32 -20.962 5.190 -26.201 1.00 0.00 C ATOM 578 CG GLN A 32 -19.943 6.293 -25.964 1.00 0.00 C ATOM 579 CD GLN A 32 -20.445 7.355 -25.006 1.00 0.00 C ATOM 580 OE1 GLN A 32 -20.975 6.923 -23.867 1.00 0.00 O flip ATOM 581 NE2 GLN A 32 -20.358 8.551 -25.286 1.00 0.00 N flip ATOM 0 H GLN A 32 -23.599 4.655 -25.763 1.00 0.00 H new ATOM 0 HA GLN A 32 -22.063 6.695 -27.269 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -21.271 4.779 -25.240 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -20.487 4.381 -26.756 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -19.026 5.856 -25.568 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -19.689 6.759 -26.916 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -19.943 8.838 -26.173 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -20.700 9.254 -24.631 1.00 0.00 H new ATOM 590 N GLY A 33 -21.310 4.615 -28.966 1.00 0.00 N ATOM 591 CA GLY A 33 -21.378 3.822 -30.180 1.00 0.00 C ATOM 592 C GLY A 33 -21.575 2.346 -29.898 1.00 0.00 C ATOM 593 O GLY A 33 -22.562 1.951 -29.276 1.00 0.00 O ATOM 0 H GLY A 33 -20.387 4.994 -28.753 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -22.198 4.183 -30.800 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -20.461 3.960 -30.752 1.00 0.00 H new ATOM 597 N LYS A 34 -20.636 1.527 -30.358 1.00 0.00 N ATOM 598 CA LYS A 34 -20.710 0.085 -30.153 1.00 0.00 C ATOM 599 C LYS A 34 -19.899 -0.333 -28.931 1.00 0.00 C ATOM 600 O LYS A 34 -19.410 0.511 -28.179 1.00 0.00 O ATOM 601 CB LYS A 34 -20.201 -0.653 -31.393 1.00 0.00 C ATOM 602 CG LYS A 34 -20.847 -0.188 -32.686 1.00 0.00 C ATOM 603 CD LYS A 34 -19.913 0.703 -33.487 1.00 0.00 C ATOM 604 CE LYS A 34 -20.671 1.825 -34.180 1.00 0.00 C ATOM 605 NZ LYS A 34 -19.759 2.908 -34.642 1.00 0.00 N ATOM 0 H LYS A 34 -19.814 1.837 -30.876 1.00 0.00 H new ATOM 0 HA LYS A 34 -21.753 -0.180 -29.982 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -19.122 -0.519 -31.467 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -20.382 -1.721 -31.270 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -21.128 -1.054 -33.285 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -21.765 0.355 -32.460 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -19.157 1.127 -32.826 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -19.386 0.105 -34.231 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -21.217 1.422 -35.033 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -21.411 2.240 -33.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -20.314 3.653 -35.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.256 3.311 -33.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -19.069 2.517 -35.315 1.00 0.00 H new ATOM 619 N LYS A 35 -19.758 -1.640 -28.739 1.00 0.00 N ATOM 620 CA LYS A 35 -19.004 -2.171 -27.610 1.00 0.00 C ATOM 621 C LYS A 35 -17.656 -1.468 -27.476 1.00 0.00 C ATOM 622 O LYS A 35 -17.131 -1.319 -26.374 1.00 0.00 O ATOM 623 CB LYS A 35 -18.791 -3.678 -27.775 1.00 0.00 C ATOM 624 CG LYS A 35 -19.299 -4.496 -26.601 1.00 0.00 C ATOM 625 CD LYS A 35 -18.560 -4.151 -25.319 1.00 0.00 C ATOM 626 CE LYS A 35 -17.604 -5.260 -24.910 1.00 0.00 C ATOM 627 NZ LYS A 35 -18.328 -6.504 -24.528 1.00 0.00 N ATOM 0 H LYS A 35 -20.157 -2.352 -29.351 1.00 0.00 H new ATOM 0 HA LYS A 35 -19.581 -1.989 -26.703 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -19.294 -4.010 -28.683 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.727 -3.873 -27.910 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -20.366 -4.317 -26.466 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -19.179 -5.558 -26.817 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.005 -3.223 -25.457 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -19.279 -3.976 -24.519 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.923 -5.475 -25.734 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.994 -4.923 -24.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.648 -7.207 -24.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -19.020 -6.288 -23.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -18.822 -6.887 -25.359 1.00 0.00 H new ATOM 641 N GLN A 36 -17.104 -1.038 -28.606 1.00 0.00 N ATOM 642 CA GLN A 36 -15.819 -0.350 -28.614 1.00 0.00 C ATOM 643 C GLN A 36 -15.929 1.017 -27.948 1.00 0.00 C ATOM 644 O GLN A 36 -15.194 1.321 -27.008 1.00 0.00 O ATOM 645 CB GLN A 36 -15.309 -0.193 -30.048 1.00 0.00 C ATOM 646 CG GLN A 36 -13.976 -0.879 -30.299 1.00 0.00 C ATOM 647 CD GLN A 36 -12.878 -0.372 -29.386 1.00 0.00 C ATOM 648 OE1 GLN A 36 -12.756 -0.979 -28.211 1.00 0.00 O flip ATOM 649 NE2 GLN A 36 -12.146 0.556 -29.732 1.00 0.00 N flip ATOM 0 H GLN A 36 -17.526 -1.154 -29.527 1.00 0.00 H new ATOM 0 HA GLN A 36 -15.109 -0.953 -28.048 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -16.052 -0.598 -30.735 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.210 0.868 -30.275 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -14.093 -1.954 -30.159 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.681 -0.723 -31.337 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.275 0.994 -30.644 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.411 0.886 -29.106 1.00 0.00 H new ATOM 658 N ASP A 37 -16.850 1.837 -28.440 1.00 0.00 N ATOM 659 CA ASP A 37 -17.057 3.172 -27.892 1.00 0.00 C ATOM 660 C ASP A 37 -17.352 3.106 -26.397 1.00 0.00 C ATOM 661 O ASP A 37 -16.785 3.863 -25.607 1.00 0.00 O ATOM 662 CB ASP A 37 -18.205 3.874 -28.620 1.00 0.00 C ATOM 663 CG ASP A 37 -17.736 5.075 -29.418 1.00 0.00 C ATOM 664 OD1 ASP A 37 -16.750 4.939 -30.172 1.00 0.00 O ATOM 665 OD2 ASP A 37 -18.356 6.151 -29.288 1.00 0.00 O ATOM 0 H ASP A 37 -17.466 1.601 -29.218 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.141 3.744 -28.039 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -18.694 3.166 -29.289 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -18.951 4.194 -27.893 1.00 0.00 H new ATOM 670 N LEU A 38 -18.242 2.198 -26.014 1.00 0.00 N ATOM 671 CA LEU A 38 -18.613 2.033 -24.613 1.00 0.00 C ATOM 672 C LEU A 38 -17.392 1.700 -23.762 1.00 0.00 C ATOM 673 O LEU A 38 -17.127 2.359 -22.755 1.00 0.00 O ATOM 674 CB LEU A 38 -19.665 0.931 -24.470 1.00 0.00 C ATOM 675 CG LEU A 38 -20.913 1.077 -25.340 1.00 0.00 C ATOM 676 CD1 LEU A 38 -21.435 -0.288 -25.760 1.00 0.00 C ATOM 677 CD2 LEU A 38 -21.990 1.858 -24.601 1.00 0.00 C ATOM 0 H LEU A 38 -18.721 1.564 -26.654 1.00 0.00 H new ATOM 0 HA LEU A 38 -19.032 2.975 -24.260 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -19.195 -0.025 -24.702 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.977 0.888 -23.427 1.00 0.00 H new ATOM 0 HG LEU A 38 -20.642 1.631 -26.239 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -22.324 -0.163 -26.379 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.667 -0.812 -26.329 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.689 -0.869 -24.873 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -22.871 1.952 -25.236 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -22.257 1.332 -23.685 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -21.614 2.850 -24.353 1.00 0.00 H new ATOM 689 N ILE A 39 -16.652 0.677 -24.173 1.00 0.00 N ATOM 690 CA ILE A 39 -15.457 0.259 -23.449 1.00 0.00 C ATOM 691 C ILE A 39 -14.528 1.441 -23.195 1.00 0.00 C ATOM 692 O ILE A 39 -14.086 1.665 -22.068 1.00 0.00 O ATOM 693 CB ILE A 39 -14.686 -0.830 -24.217 1.00 0.00 C ATOM 694 CG1 ILE A 39 -15.129 -2.220 -23.756 1.00 0.00 C ATOM 695 CG2 ILE A 39 -13.187 -0.654 -24.024 1.00 0.00 C ATOM 696 CD1 ILE A 39 -15.127 -3.253 -24.861 1.00 0.00 C ATOM 0 H ILE A 39 -16.858 0.122 -25.003 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.792 -0.149 -22.495 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.909 -0.732 -25.279 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -14.470 -2.555 -22.955 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -16.132 -2.152 -23.336 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.656 -1.431 -24.573 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -12.885 0.325 -24.397 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.945 -0.729 -22.964 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.452 -4.214 -24.461 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.808 -2.940 -25.653 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.120 -3.350 -25.266 1.00 0.00 H new ATOM 708 N ASP A 40 -14.236 2.195 -24.250 1.00 0.00 N ATOM 709 CA ASP A 40 -13.361 3.356 -24.141 1.00 0.00 C ATOM 710 C ASP A 40 -13.920 4.366 -23.143 1.00 0.00 C ATOM 711 O ASP A 40 -13.167 5.035 -22.435 1.00 0.00 O ATOM 712 CB ASP A 40 -13.184 4.017 -25.509 1.00 0.00 C ATOM 713 CG ASP A 40 -11.747 4.422 -25.774 1.00 0.00 C ATOM 714 OD1 ASP A 40 -11.072 4.872 -24.824 1.00 0.00 O ATOM 715 OD2 ASP A 40 -11.297 4.288 -26.931 1.00 0.00 O ATOM 0 H ASP A 40 -14.593 2.022 -25.190 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.390 3.016 -23.781 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.514 3.329 -26.287 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.824 4.897 -25.570 1.00 0.00 H new ATOM 720 N ARG A 41 -15.243 4.470 -23.093 1.00 0.00 N ATOM 721 CA ARG A 41 -15.902 5.400 -22.183 1.00 0.00 C ATOM 722 C ARG A 41 -15.688 4.984 -20.731 1.00 0.00 C ATOM 723 O ARG A 41 -15.371 5.812 -19.877 1.00 0.00 O ATOM 724 CB ARG A 41 -17.400 5.470 -22.489 1.00 0.00 C ATOM 725 CG ARG A 41 -17.915 6.887 -22.687 1.00 0.00 C ATOM 726 CD ARG A 41 -18.933 7.263 -21.621 1.00 0.00 C ATOM 727 NE ARG A 41 -19.544 8.563 -21.883 1.00 0.00 N ATOM 728 CZ ARG A 41 -20.251 9.238 -20.984 1.00 0.00 C ATOM 729 NH1 ARG A 41 -20.435 8.737 -19.769 1.00 0.00 N ATOM 730 NH2 ARG A 41 -20.776 10.415 -21.297 1.00 0.00 N ATOM 0 H ARG A 41 -15.880 3.922 -23.671 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.461 6.386 -22.329 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.606 4.888 -23.387 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -17.951 5.003 -21.673 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -17.080 7.587 -22.657 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -18.370 6.976 -23.674 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -19.710 6.500 -21.576 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -18.447 7.281 -20.646 1.00 0.00 H new ATOM 0 HE ARG A 41 -19.421 8.976 -22.808 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -20.033 7.832 -19.524 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -20.978 9.257 -19.080 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -20.637 10.804 -22.230 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -21.319 10.932 -20.605 1.00 0.00 H new ATOM 744 N VAL A 42 -15.863 3.695 -20.458 1.00 0.00 N ATOM 745 CA VAL A 42 -15.688 3.168 -19.110 1.00 0.00 C ATOM 746 C VAL A 42 -14.286 3.457 -18.584 1.00 0.00 C ATOM 747 O VAL A 42 -14.121 4.049 -17.517 1.00 0.00 O ATOM 748 CB VAL A 42 -15.938 1.649 -19.064 1.00 0.00 C ATOM 749 CG1 VAL A 42 -15.499 1.076 -17.725 1.00 0.00 C ATOM 750 CG2 VAL A 42 -17.404 1.342 -19.330 1.00 0.00 C ATOM 0 H VAL A 42 -16.126 2.996 -21.153 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.421 3.669 -18.477 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.344 1.177 -19.846 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -15.683 0.002 -17.711 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.435 1.264 -17.580 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.064 1.551 -16.923 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.562 0.264 -19.294 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.020 1.825 -18.572 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.681 1.716 -20.315 1.00 0.00 H new ATOM 760 N LEU A 43 -13.278 3.037 -19.341 1.00 0.00 N ATOM 761 CA LEU A 43 -11.889 3.251 -18.952 1.00 0.00 C ATOM 762 C LEU A 43 -11.597 4.738 -18.772 1.00 0.00 C ATOM 763 O LEU A 43 -10.851 5.129 -17.875 1.00 0.00 O ATOM 764 CB LEU A 43 -10.948 2.659 -20.002 1.00 0.00 C ATOM 765 CG LEU A 43 -11.301 1.260 -20.508 1.00 0.00 C ATOM 766 CD1 LEU A 43 -10.155 0.681 -21.323 1.00 0.00 C ATOM 767 CD2 LEU A 43 -11.645 0.343 -19.342 1.00 0.00 C ATOM 0 H LEU A 43 -13.397 2.546 -20.227 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.723 2.749 -17.999 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.918 3.335 -20.856 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.942 2.629 -19.583 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.175 1.338 -21.154 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.425 -0.315 -21.674 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.955 1.326 -22.179 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.262 0.616 -20.701 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.894 -0.649 -19.720 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.789 0.271 -18.671 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.499 0.749 -18.799 1.00 0.00 H new ATOM 779 N ALA A 44 -12.192 5.561 -19.629 1.00 0.00 N ATOM 780 CA ALA A 44 -12.000 7.004 -19.561 1.00 0.00 C ATOM 781 C ALA A 44 -12.634 7.584 -18.302 1.00 0.00 C ATOM 782 O ALA A 44 -12.207 8.626 -17.803 1.00 0.00 O ATOM 783 CB ALA A 44 -12.576 7.672 -20.801 1.00 0.00 C ATOM 0 H ALA A 44 -12.811 5.253 -20.379 1.00 0.00 H new ATOM 0 HA ALA A 44 -10.929 7.201 -19.520 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -12.426 8.750 -20.737 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.073 7.288 -21.688 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.643 7.458 -20.867 1.00 0.00 H new ATOM 789 N LEU A 45 -13.656 6.904 -17.793 1.00 0.00 N ATOM 790 CA LEU A 45 -14.351 7.353 -16.591 1.00 0.00 C ATOM 791 C LEU A 45 -13.554 7.003 -15.339 1.00 0.00 C ATOM 792 O LEU A 45 -13.416 7.821 -14.428 1.00 0.00 O ATOM 793 CB LEU A 45 -15.742 6.722 -16.517 1.00 0.00 C ATOM 794 CG LEU A 45 -16.072 5.974 -15.225 1.00 0.00 C ATOM 795 CD1 LEU A 45 -16.354 6.954 -14.097 1.00 0.00 C ATOM 796 CD2 LEU A 45 -17.258 5.044 -15.435 1.00 0.00 C ATOM 0 H LEU A 45 -14.022 6.040 -18.194 1.00 0.00 H new ATOM 0 HA LEU A 45 -14.453 8.437 -16.643 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.484 7.508 -16.657 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -15.850 6.029 -17.352 1.00 0.00 H new ATOM 0 HG LEU A 45 -15.208 5.371 -14.947 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -16.587 6.403 -13.186 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -15.476 7.578 -13.929 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -17.201 7.585 -14.366 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -17.479 4.520 -14.505 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -18.128 5.627 -15.738 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -17.018 4.318 -16.212 1.00 0.00 H new ATOM 808 N LEU A 46 -13.028 5.783 -15.300 1.00 0.00 N ATOM 809 CA LEU A 46 -12.242 5.324 -14.160 1.00 0.00 C ATOM 810 C LEU A 46 -10.813 5.853 -14.236 1.00 0.00 C ATOM 811 O LEU A 46 -10.053 5.760 -13.272 1.00 0.00 O ATOM 812 CB LEU A 46 -12.230 3.796 -14.106 1.00 0.00 C ATOM 813 CG LEU A 46 -13.549 3.101 -14.447 1.00 0.00 C ATOM 814 CD1 LEU A 46 -13.344 1.600 -14.579 1.00 0.00 C ATOM 815 CD2 LEU A 46 -14.602 3.407 -13.392 1.00 0.00 C ATOM 0 H LEU A 46 -13.132 5.094 -16.045 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.705 5.710 -13.252 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.464 3.434 -14.792 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.930 3.490 -13.104 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.901 3.484 -15.405 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -14.294 1.123 -14.822 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.624 1.400 -15.372 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.967 1.200 -13.638 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -15.534 2.904 -13.651 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -14.257 3.053 -12.420 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -14.771 4.483 -13.348 1.00 0.00 H new ATOM 827 N THR A 47 -10.455 6.411 -15.388 1.00 0.00 N ATOM 828 CA THR A 47 -9.118 6.956 -15.590 1.00 0.00 C ATOM 829 C THR A 47 -9.140 8.480 -15.592 1.00 0.00 C ATOM 830 O THR A 47 -8.566 9.121 -14.712 1.00 0.00 O ATOM 831 CB THR A 47 -8.503 6.461 -16.912 1.00 0.00 C ATOM 832 OG1 THR A 47 -8.448 5.030 -16.921 1.00 0.00 O ATOM 833 CG2 THR A 47 -7.105 7.029 -17.105 1.00 0.00 C ATOM 0 H THR A 47 -11.072 6.497 -16.195 1.00 0.00 H new ATOM 0 HA THR A 47 -8.505 6.605 -14.759 1.00 0.00 H new ATOM 0 HB THR A 47 -9.134 6.805 -17.732 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.253 4.674 -17.351 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.691 6.665 -18.045 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.154 8.118 -17.127 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.466 6.712 -16.281 1.00 0.00 H new ATOM 841 N ASP A 48 -9.808 9.056 -16.586 1.00 0.00 N ATOM 842 CA ASP A 48 -9.906 10.506 -16.702 1.00 0.00 C ATOM 843 C ASP A 48 -10.875 11.069 -15.667 1.00 0.00 C ATOM 844 O ASP A 48 -10.936 12.280 -15.455 1.00 0.00 O ATOM 845 CB ASP A 48 -10.361 10.897 -18.110 1.00 0.00 C ATOM 846 CG ASP A 48 -9.266 11.585 -18.901 1.00 0.00 C ATOM 847 OD1 ASP A 48 -8.358 10.882 -19.392 1.00 0.00 O ATOM 848 OD2 ASP A 48 -9.317 12.826 -19.030 1.00 0.00 O ATOM 0 H ASP A 48 -10.289 8.541 -17.323 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.918 10.928 -16.517 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.686 10.005 -18.645 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.225 11.558 -18.039 1.00 0.00 H new ATOM 853 N GLU A 49 -11.630 10.183 -15.027 1.00 0.00 N ATOM 854 CA GLU A 49 -12.597 10.593 -14.015 1.00 0.00 C ATOM 855 C GLU A 49 -12.455 9.748 -12.752 1.00 0.00 C ATOM 856 O GLU A 49 -13.403 9.602 -11.981 1.00 0.00 O ATOM 857 CB GLU A 49 -14.021 10.476 -14.562 1.00 0.00 C ATOM 858 CG GLU A 49 -14.695 11.818 -14.796 1.00 0.00 C ATOM 859 CD GLU A 49 -16.059 11.681 -15.444 1.00 0.00 C ATOM 860 OE1 GLU A 49 -16.535 10.536 -15.589 1.00 0.00 O ATOM 861 OE2 GLU A 49 -16.649 12.720 -15.808 1.00 0.00 O ATOM 0 H GLU A 49 -11.591 9.177 -15.191 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.397 11.634 -13.759 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.996 9.923 -15.501 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.623 9.893 -13.864 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.800 12.338 -13.844 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.057 12.435 -15.428 1.00 0.00 H new ATOM 868 N GLN A 50 -11.264 9.193 -12.550 1.00 0.00 N ATOM 869 CA GLN A 50 -10.998 8.361 -11.382 1.00 0.00 C ATOM 870 C GLN A 50 -11.381 9.089 -10.097 1.00 0.00 C ATOM 871 O GLN A 50 -11.637 8.462 -9.070 1.00 0.00 O ATOM 872 CB GLN A 50 -9.521 7.965 -11.337 1.00 0.00 C ATOM 873 CG GLN A 50 -8.600 9.099 -10.918 1.00 0.00 C ATOM 874 CD GLN A 50 -8.079 9.895 -12.098 1.00 0.00 C ATOM 875 OE1 GLN A 50 -7.034 9.575 -12.665 1.00 0.00 O ATOM 876 NE2 GLN A 50 -8.808 10.939 -12.477 1.00 0.00 N ATOM 0 H GLN A 50 -10.469 9.304 -13.179 1.00 0.00 H new ATOM 0 HA GLN A 50 -11.606 7.460 -11.463 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.397 7.133 -10.644 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.219 7.608 -12.321 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.136 9.766 -10.243 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.758 8.690 -10.360 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.668 11.169 -11.979 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.508 11.511 -13.266 1.00 0.00 H new ATOM 885 N GLY A 51 -11.417 10.417 -10.163 1.00 0.00 N ATOM 886 CA GLY A 51 -11.769 11.207 -8.998 1.00 0.00 C ATOM 887 C GLY A 51 -10.728 11.117 -7.900 1.00 0.00 C ATOM 888 O GLY A 51 -11.065 10.934 -6.730 1.00 0.00 O ATOM 0 H GLY A 51 -11.209 10.959 -11.002 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.892 12.249 -9.293 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.731 10.870 -8.611 1.00 0.00 H new ATOM 892 N GLN A 52 -9.460 11.243 -8.277 1.00 0.00 N ATOM 893 CA GLN A 52 -8.366 11.171 -7.314 1.00 0.00 C ATOM 894 C GLN A 52 -8.298 12.441 -6.472 1.00 0.00 C ATOM 895 O GLN A 52 -8.045 12.387 -5.269 1.00 0.00 O ATOM 896 CB GLN A 52 -7.036 10.953 -8.037 1.00 0.00 C ATOM 897 CG GLN A 52 -6.463 9.557 -7.849 1.00 0.00 C ATOM 898 CD GLN A 52 -5.177 9.558 -7.046 1.00 0.00 C ATOM 899 OE1 GLN A 52 -4.163 9.008 -7.477 1.00 0.00 O ATOM 900 NE2 GLN A 52 -5.212 10.178 -5.872 1.00 0.00 N ATOM 0 H GLN A 52 -9.164 11.395 -9.241 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.554 10.327 -6.651 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.176 11.139 -9.102 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.313 11.685 -7.678 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.200 8.930 -7.347 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.277 9.110 -8.826 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.074 10.620 -5.554 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.376 10.212 -5.288 1.00 0.00 H new ATOM 909 N ARG A 53 -8.526 13.583 -7.113 1.00 0.00 N ATOM 910 CA ARG A 53 -8.489 14.867 -6.423 1.00 0.00 C ATOM 911 C ARG A 53 -9.812 15.610 -6.586 1.00 0.00 C ATOM 912 O ARG A 53 -9.836 16.833 -6.724 1.00 0.00 O ATOM 913 CB ARG A 53 -7.341 15.725 -6.959 1.00 0.00 C ATOM 914 CG ARG A 53 -7.484 16.086 -8.428 1.00 0.00 C ATOM 915 CD ARG A 53 -6.133 16.137 -9.124 1.00 0.00 C ATOM 916 NE ARG A 53 -5.137 16.855 -8.333 1.00 0.00 N ATOM 917 CZ ARG A 53 -5.028 18.179 -8.316 1.00 0.00 C ATOM 918 NH1 ARG A 53 -5.849 18.925 -9.043 1.00 0.00 N ATOM 919 NH2 ARG A 53 -4.097 18.760 -7.571 1.00 0.00 N ATOM 0 H ARG A 53 -8.738 13.645 -8.109 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.327 14.677 -5.362 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.280 16.642 -6.373 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.402 15.191 -6.815 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.122 15.354 -8.923 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.978 17.053 -8.520 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.783 15.122 -9.312 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.243 16.621 -10.094 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.490 16.310 -7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.567 18.482 -9.617 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.763 19.941 -9.028 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.464 18.190 -7.010 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.014 19.777 -7.559 1.00 0.00 H new ATOM 933 N HIS A 54 -10.911 14.862 -6.568 1.00 0.00 N ATOM 934 CA HIS A 54 -12.238 15.449 -6.713 1.00 0.00 C ATOM 935 C HIS A 54 -13.296 14.572 -6.051 1.00 0.00 C ATOM 936 O HIS A 54 -12.971 13.620 -5.341 1.00 0.00 O ATOM 937 CB HIS A 54 -12.573 15.645 -8.192 1.00 0.00 C ATOM 938 CG HIS A 54 -13.060 17.023 -8.519 1.00 0.00 C ATOM 939 ND1 HIS A 54 -12.215 18.062 -8.844 1.00 0.00 N ATOM 940 CD2 HIS A 54 -14.314 17.529 -8.572 1.00 0.00 C ATOM 941 CE1 HIS A 54 -12.928 19.149 -9.080 1.00 0.00 C ATOM 942 NE2 HIS A 54 -14.205 18.852 -8.922 1.00 0.00 N ATOM 0 H HIS A 54 -10.908 13.848 -6.454 1.00 0.00 H new ATOM 0 HA HIS A 54 -12.235 16.420 -6.217 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -11.686 15.431 -8.788 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -13.334 14.921 -8.482 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -15.230 16.992 -8.375 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.534 20.116 -9.355 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -14.984 19.500 -9.041 1.00 0.00 H new ATOM 950 N HIS A 55 -14.562 14.899 -6.288 1.00 0.00 N ATOM 951 CA HIS A 55 -15.668 14.141 -5.714 1.00 0.00 C ATOM 952 C HIS A 55 -16.715 13.819 -6.776 1.00 0.00 C ATOM 953 O HIS A 55 -16.512 14.080 -7.961 1.00 0.00 O ATOM 954 CB HIS A 55 -16.311 14.924 -4.568 1.00 0.00 C ATOM 955 CG HIS A 55 -16.769 16.294 -4.963 1.00 0.00 C ATOM 956 ND1 HIS A 55 -17.912 16.522 -5.700 1.00 0.00 N ATOM 957 CD2 HIS A 55 -16.233 17.512 -4.716 1.00 0.00 C ATOM 958 CE1 HIS A 55 -18.057 17.821 -5.892 1.00 0.00 C ATOM 959 NE2 HIS A 55 -17.052 18.444 -5.304 1.00 0.00 N ATOM 0 H HIS A 55 -14.848 15.684 -6.874 1.00 0.00 H new ATOM 0 HA HIS A 55 -15.270 13.204 -5.325 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -17.163 14.361 -4.187 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -15.595 15.011 -3.751 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -15.329 17.713 -4.160 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -18.861 18.293 -6.437 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -16.908 19.454 -5.289 1.00 0.00 H new ATOM 967 N GLY A 56 -17.835 13.249 -6.343 1.00 0.00 N ATOM 968 CA GLY A 56 -18.896 12.900 -7.269 1.00 0.00 C ATOM 969 C GLY A 56 -19.470 11.522 -7.001 1.00 0.00 C ATOM 970 O GLY A 56 -19.859 10.813 -7.929 1.00 0.00 O ATOM 0 H GLY A 56 -18.027 13.023 -5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.692 13.641 -7.201 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.512 12.938 -8.288 1.00 0.00 H new ATOM 974 N TRP A 57 -19.521 11.142 -5.729 1.00 0.00 N ATOM 975 CA TRP A 57 -20.050 9.839 -5.342 1.00 0.00 C ATOM 976 C TRP A 57 -21.336 9.991 -4.538 1.00 0.00 C ATOM 977 O TRP A 57 -22.424 9.688 -5.026 1.00 0.00 O ATOM 978 CB TRP A 57 -19.012 9.066 -4.527 1.00 0.00 C ATOM 979 CG TRP A 57 -17.681 9.751 -4.459 1.00 0.00 C ATOM 980 CD1 TRP A 57 -16.672 9.675 -5.377 1.00 0.00 C ATOM 981 CD2 TRP A 57 -17.213 10.613 -3.416 1.00 0.00 C ATOM 982 NE1 TRP A 57 -15.605 10.439 -4.967 1.00 0.00 N ATOM 983 CE2 TRP A 57 -15.913 11.025 -3.768 1.00 0.00 C ATOM 984 CE3 TRP A 57 -17.767 11.079 -2.221 1.00 0.00 C ATOM 985 CZ2 TRP A 57 -15.160 11.879 -2.966 1.00 0.00 C ATOM 986 CZ3 TRP A 57 -17.018 11.926 -1.426 1.00 0.00 C ATOM 987 CH2 TRP A 57 -15.727 12.320 -1.801 1.00 0.00 C ATOM 0 H TRP A 57 -19.203 11.717 -4.949 1.00 0.00 H new ATOM 0 HA TRP A 57 -20.276 9.281 -6.251 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -19.390 8.921 -3.515 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -18.881 8.076 -4.964 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -16.707 9.100 -6.290 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -14.727 10.551 -5.473 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -18.762 10.783 -1.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -14.164 12.182 -3.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -17.436 12.291 -0.499 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -15.168 12.984 -1.158 1.00 0.00 H new ATOM 998 N GLY A 58 -21.204 10.461 -3.301 1.00 0.00 N ATOM 999 CA GLY A 58 -22.365 10.644 -2.450 1.00 0.00 C ATOM 1000 C GLY A 58 -22.448 9.603 -1.351 1.00 0.00 C ATOM 1001 O GLY A 58 -22.387 9.934 -0.167 1.00 0.00 O ATOM 0 H GLY A 58 -20.314 10.718 -2.874 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -22.331 11.638 -2.003 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -23.268 10.599 -3.058 1.00 0.00 H new ATOM 1005 N ARG A 59 -22.590 8.341 -1.744 1.00 0.00 N ATOM 1006 CA ARG A 59 -22.685 7.248 -0.784 1.00 0.00 C ATOM 1007 C ARG A 59 -22.886 5.914 -1.497 1.00 0.00 C ATOM 1008 O ARG A 59 -22.434 4.871 -1.024 1.00 0.00 O ATOM 1009 CB ARG A 59 -23.837 7.496 0.191 1.00 0.00 C ATOM 1010 CG ARG A 59 -24.161 6.299 1.069 1.00 0.00 C ATOM 1011 CD ARG A 59 -25.495 5.675 0.690 1.00 0.00 C ATOM 1012 NE ARG A 59 -26.579 6.654 0.698 1.00 0.00 N ATOM 1013 CZ ARG A 59 -27.238 7.011 1.795 1.00 0.00 C ATOM 1014 NH1 ARG A 59 -26.926 6.473 2.965 1.00 0.00 N ATOM 1015 NH2 ARG A 59 -28.212 7.909 1.721 1.00 0.00 N ATOM 0 H ARG A 59 -22.642 8.051 -2.720 1.00 0.00 H new ATOM 0 HA ARG A 59 -21.749 7.205 -0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -23.587 8.345 0.827 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -24.727 7.773 -0.374 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -23.370 5.554 0.977 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -24.187 6.609 2.114 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -25.418 5.228 -0.301 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -25.729 4.869 1.386 1.00 0.00 H new ATOM 0 HE ARG A 59 -26.844 7.087 -0.187 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -26.178 5.782 3.025 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -27.434 6.749 3.805 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -28.455 8.325 0.822 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -28.718 8.183 2.563 1.00 0.00 H new ATOM 1029 N LYS A 60 -23.566 5.955 -2.637 1.00 0.00 N ATOM 1030 CA LYS A 60 -23.827 4.751 -3.417 1.00 0.00 C ATOM 1031 C LYS A 60 -24.468 5.099 -4.756 1.00 0.00 C ATOM 1032 O LYS A 60 -25.187 4.288 -5.339 1.00 0.00 O ATOM 1033 CB LYS A 60 -24.736 3.800 -2.635 1.00 0.00 C ATOM 1034 CG LYS A 60 -26.185 4.253 -2.578 1.00 0.00 C ATOM 1035 CD LYS A 60 -26.975 3.465 -1.547 1.00 0.00 C ATOM 1036 CE LYS A 60 -27.945 2.497 -2.209 1.00 0.00 C ATOM 1037 NZ LYS A 60 -27.990 1.187 -1.502 1.00 0.00 N ATOM 0 H LYS A 60 -23.947 6.810 -3.042 1.00 0.00 H new ATOM 0 HA LYS A 60 -22.874 4.258 -3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -24.691 2.811 -3.091 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -24.355 3.700 -1.619 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -26.226 5.315 -2.335 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -26.644 4.132 -3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -26.289 2.912 -0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -27.526 4.153 -0.906 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -28.943 2.936 -2.224 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -27.650 2.340 -3.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -28.662 0.556 -1.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -27.044 0.756 -1.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -28.296 1.333 -0.519 1.00 0.00 H new ATOM 1051 N ASN A 61 -24.202 6.308 -5.239 1.00 0.00 N ATOM 1052 CA ASN A 61 -24.753 6.762 -6.511 1.00 0.00 C ATOM 1053 C ASN A 61 -24.492 5.740 -7.613 1.00 0.00 C ATOM 1054 O ASN A 61 -25.211 5.690 -8.610 1.00 0.00 O ATOM 1055 CB ASN A 61 -24.149 8.113 -6.899 1.00 0.00 C ATOM 1056 CG ASN A 61 -22.706 7.992 -7.349 1.00 0.00 C ATOM 1057 OD1 ASN A 61 -22.285 8.648 -8.303 1.00 0.00 O ATOM 1058 ND2 ASN A 61 -21.940 7.151 -6.664 1.00 0.00 N ATOM 0 H ASN A 61 -23.608 6.991 -4.769 1.00 0.00 H new ATOM 0 HA ASN A 61 -25.831 6.874 -6.392 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -24.741 8.556 -7.700 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -24.206 8.791 -6.048 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -20.961 7.028 -6.921 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -22.331 6.628 -5.880 1.00 0.00 H new ATOM 1065 N SER A 62 -23.458 4.926 -7.424 1.00 0.00 N ATOM 1066 CA SER A 62 -23.099 3.906 -8.403 1.00 0.00 C ATOM 1067 C SER A 62 -22.726 4.543 -9.738 1.00 0.00 C ATOM 1068 O SER A 62 -22.998 3.986 -10.803 1.00 0.00 O ATOM 1069 CB SER A 62 -24.258 2.926 -8.598 1.00 0.00 C ATOM 1070 OG SER A 62 -24.739 2.451 -7.353 1.00 0.00 O ATOM 0 H SER A 62 -22.854 4.953 -6.602 1.00 0.00 H new ATOM 0 HA SER A 62 -22.233 3.362 -8.025 1.00 0.00 H new ATOM 0 HB2 SER A 62 -25.066 3.417 -9.140 1.00 0.00 H new ATOM 0 HB3 SER A 62 -23.929 2.085 -9.209 1.00 0.00 H new ATOM 0 HG SER A 62 -25.001 3.211 -6.792 1.00 0.00 H new ATOM 1076 N LEU A 63 -22.102 5.713 -9.674 1.00 0.00 N ATOM 1077 CA LEU A 63 -21.690 6.428 -10.878 1.00 0.00 C ATOM 1078 C LEU A 63 -20.201 6.754 -10.835 1.00 0.00 C ATOM 1079 O LEU A 63 -19.763 7.781 -11.355 1.00 0.00 O ATOM 1080 CB LEU A 63 -22.501 7.716 -11.033 1.00 0.00 C ATOM 1081 CG LEU A 63 -23.909 7.697 -10.437 1.00 0.00 C ATOM 1082 CD1 LEU A 63 -24.477 9.106 -10.366 1.00 0.00 C ATOM 1083 CD2 LEU A 63 -24.822 6.793 -11.252 1.00 0.00 C ATOM 0 H LEU A 63 -21.870 6.188 -8.802 1.00 0.00 H new ATOM 0 HA LEU A 63 -21.877 5.782 -11.736 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -21.943 8.531 -10.571 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -22.581 7.946 -12.095 1.00 0.00 H new ATOM 0 HG LEU A 63 -23.848 7.300 -9.424 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -25.479 9.073 -9.939 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -23.836 9.726 -9.739 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -24.523 9.531 -11.369 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -25.820 6.792 -10.813 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -24.877 7.160 -12.277 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -24.424 5.778 -11.251 1.00 0.00 H new ATOM 1095 N THR A 64 -19.424 5.871 -10.213 1.00 0.00 N ATOM 1096 CA THR A 64 -17.984 6.064 -10.104 1.00 0.00 C ATOM 1097 C THR A 64 -17.250 4.728 -10.086 1.00 0.00 C ATOM 1098 O THR A 64 -17.862 3.670 -10.235 1.00 0.00 O ATOM 1099 CB THR A 64 -17.618 6.855 -8.833 1.00 0.00 C ATOM 1100 OG1 THR A 64 -18.783 7.499 -8.305 1.00 0.00 O ATOM 1101 CG2 THR A 64 -16.549 7.894 -9.132 1.00 0.00 C ATOM 0 H THR A 64 -19.769 5.016 -9.777 1.00 0.00 H new ATOM 0 HA THR A 64 -17.674 6.634 -10.980 1.00 0.00 H new ATOM 0 HB THR A 64 -17.225 6.155 -8.096 1.00 0.00 H new ATOM 0 HG1 THR A 64 -18.543 7.998 -7.497 1.00 0.00 H new ATOM 0 HG21 THR A 64 -16.307 8.440 -8.220 1.00 0.00 H new ATOM 0 HG22 THR A 64 -15.654 7.398 -9.506 1.00 0.00 H new ATOM 0 HG23 THR A 64 -16.919 8.591 -9.884 1.00 0.00 H new ATOM 1109 N LYS A 65 -15.935 4.783 -9.902 1.00 0.00 N ATOM 1110 CA LYS A 65 -15.117 3.577 -9.862 1.00 0.00 C ATOM 1111 C LYS A 65 -15.728 2.535 -8.931 1.00 0.00 C ATOM 1112 O LYS A 65 -15.583 1.333 -9.151 1.00 0.00 O ATOM 1113 CB LYS A 65 -13.696 3.914 -9.404 1.00 0.00 C ATOM 1114 CG LYS A 65 -13.649 4.823 -8.188 1.00 0.00 C ATOM 1115 CD LYS A 65 -12.369 4.627 -7.395 1.00 0.00 C ATOM 1116 CE LYS A 65 -12.403 3.336 -6.591 1.00 0.00 C ATOM 1117 NZ LYS A 65 -12.746 3.581 -5.163 1.00 0.00 N ATOM 0 H LYS A 65 -15.413 5.651 -9.778 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.079 3.161 -10.869 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.168 2.988 -9.176 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.162 4.392 -10.225 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.725 5.863 -8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.509 4.622 -7.549 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.517 4.611 -8.075 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.224 5.472 -6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.133 2.655 -7.028 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.432 2.844 -6.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.759 2.677 -4.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.035 4.211 -4.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.684 4.027 -5.103 1.00 0.00 H new ATOM 1131 N GLU A 66 -16.413 3.004 -7.893 1.00 0.00 N ATOM 1132 CA GLU A 66 -17.047 2.111 -6.930 1.00 0.00 C ATOM 1133 C GLU A 66 -18.054 1.194 -7.619 1.00 0.00 C ATOM 1134 O GLU A 66 -18.034 -0.021 -7.428 1.00 0.00 O ATOM 1135 CB GLU A 66 -17.743 2.919 -5.833 1.00 0.00 C ATOM 1136 CG GLU A 66 -16.847 3.959 -5.182 1.00 0.00 C ATOM 1137 CD GLU A 66 -17.564 4.758 -4.110 1.00 0.00 C ATOM 1138 OE1 GLU A 66 -18.812 4.767 -4.112 1.00 0.00 O ATOM 1139 OE2 GLU A 66 -16.875 5.373 -3.269 1.00 0.00 O ATOM 0 H GLU A 66 -16.543 3.997 -7.697 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.270 1.494 -6.479 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -18.614 3.417 -6.258 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.109 2.236 -5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.981 3.463 -4.743 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.471 4.639 -5.946 1.00 0.00 H new ATOM 1146 N ALA A 67 -18.933 1.787 -8.420 1.00 0.00 N ATOM 1147 CA ALA A 67 -19.947 1.025 -9.138 1.00 0.00 C ATOM 1148 C ALA A 67 -19.312 0.125 -10.193 1.00 0.00 C ATOM 1149 O ALA A 67 -19.584 -1.075 -10.244 1.00 0.00 O ATOM 1150 CB ALA A 67 -20.956 1.965 -9.782 1.00 0.00 C ATOM 0 H ALA A 67 -18.963 2.793 -8.588 1.00 0.00 H new ATOM 0 HA ALA A 67 -20.465 0.390 -8.420 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -21.707 1.382 -10.315 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -21.441 2.563 -9.010 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -20.444 2.624 -10.483 1.00 0.00 H new ATOM 1156 N VAL A 68 -18.466 0.711 -11.033 1.00 0.00 N ATOM 1157 CA VAL A 68 -17.792 -0.039 -12.087 1.00 0.00 C ATOM 1158 C VAL A 68 -17.027 -1.226 -11.513 1.00 0.00 C ATOM 1159 O VAL A 68 -17.121 -2.343 -12.021 1.00 0.00 O ATOM 1160 CB VAL A 68 -16.816 0.855 -12.875 1.00 0.00 C ATOM 1161 CG1 VAL A 68 -16.038 0.030 -13.890 1.00 0.00 C ATOM 1162 CG2 VAL A 68 -17.565 1.988 -13.559 1.00 0.00 C ATOM 0 H VAL A 68 -18.230 1.703 -11.005 1.00 0.00 H new ATOM 0 HA VAL A 68 -18.566 -0.402 -12.763 1.00 0.00 H new ATOM 0 HB VAL A 68 -16.104 1.292 -12.175 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.353 0.678 -14.437 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -15.470 -0.743 -13.372 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.733 -0.437 -14.588 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.860 2.609 -14.111 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -18.301 1.574 -14.249 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -18.072 2.594 -12.808 1.00 0.00 H new ATOM 1172 N ALA A 69 -16.268 -0.976 -10.450 1.00 0.00 N ATOM 1173 CA ALA A 69 -15.488 -2.025 -9.805 1.00 0.00 C ATOM 1174 C ALA A 69 -16.391 -2.997 -9.053 1.00 0.00 C ATOM 1175 O ALA A 69 -16.049 -4.166 -8.872 1.00 0.00 O ATOM 1176 CB ALA A 69 -14.463 -1.415 -8.861 1.00 0.00 C ATOM 0 H ALA A 69 -16.177 -0.056 -10.018 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.964 -2.583 -10.581 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.888 -2.210 -8.386 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.791 -0.767 -9.423 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -14.975 -0.831 -8.096 1.00 0.00 H new ATOM 1182 N LYS A 70 -17.546 -2.507 -8.616 1.00 0.00 N ATOM 1183 CA LYS A 70 -18.499 -3.331 -7.883 1.00 0.00 C ATOM 1184 C LYS A 70 -19.019 -4.469 -8.757 1.00 0.00 C ATOM 1185 O LYS A 70 -18.996 -5.632 -8.355 1.00 0.00 O ATOM 1186 CB LYS A 70 -19.670 -2.477 -7.390 1.00 0.00 C ATOM 1187 CG LYS A 70 -20.787 -3.286 -6.754 1.00 0.00 C ATOM 1188 CD LYS A 70 -21.782 -2.392 -6.033 1.00 0.00 C ATOM 1189 CE LYS A 70 -23.061 -2.219 -6.838 1.00 0.00 C ATOM 1190 NZ LYS A 70 -24.189 -1.741 -5.992 1.00 0.00 N ATOM 0 H LYS A 70 -17.845 -1.542 -8.757 1.00 0.00 H new ATOM 0 HA LYS A 70 -17.984 -3.761 -7.024 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -19.300 -1.752 -6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -20.075 -1.911 -8.229 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -21.304 -3.861 -7.522 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -20.363 -4.002 -6.050 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -22.019 -2.821 -5.059 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -21.331 -1.417 -5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -22.888 -1.509 -7.647 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -23.331 -3.169 -7.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -25.042 -1.636 -6.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -24.372 -2.430 -5.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -23.942 -0.822 -5.571 1.00 0.00 H new ATOM 1204 N ILE A 71 -19.485 -4.125 -9.952 1.00 0.00 N ATOM 1205 CA ILE A 71 -20.008 -5.118 -10.883 1.00 0.00 C ATOM 1206 C ILE A 71 -18.887 -5.985 -11.448 1.00 0.00 C ATOM 1207 O ILE A 71 -18.956 -7.213 -11.403 1.00 0.00 O ATOM 1208 CB ILE A 71 -20.765 -4.454 -12.048 1.00 0.00 C ATOM 1209 CG1 ILE A 71 -21.666 -3.333 -11.526 1.00 0.00 C ATOM 1210 CG2 ILE A 71 -21.584 -5.489 -12.805 1.00 0.00 C ATOM 1211 CD1 ILE A 71 -22.665 -3.793 -10.488 1.00 0.00 C ATOM 0 H ILE A 71 -19.511 -3.166 -10.299 1.00 0.00 H new ATOM 0 HA ILE A 71 -20.701 -5.744 -10.321 1.00 0.00 H new ATOM 0 HB ILE A 71 -20.038 -4.021 -12.735 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -21.043 -2.548 -11.096 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -22.204 -2.890 -12.364 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -22.113 -5.005 -13.626 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -20.921 -6.257 -13.204 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -22.305 -5.948 -12.129 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -23.269 -2.946 -10.164 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -23.313 -4.556 -10.919 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -22.134 -4.209 -9.632 1.00 0.00 H new ATOM 1223 N VAL A 72 -17.855 -5.336 -11.978 1.00 0.00 N ATOM 1224 CA VAL A 72 -16.718 -6.047 -12.549 1.00 0.00 C ATOM 1225 C VAL A 72 -16.162 -7.074 -11.568 1.00 0.00 C ATOM 1226 O VAL A 72 -15.800 -8.185 -11.955 1.00 0.00 O ATOM 1227 CB VAL A 72 -15.592 -5.076 -12.950 1.00 0.00 C ATOM 1228 CG1 VAL A 72 -14.358 -5.843 -13.398 1.00 0.00 C ATOM 1229 CG2 VAL A 72 -16.069 -4.132 -14.044 1.00 0.00 C ATOM 0 H VAL A 72 -17.783 -4.320 -12.024 1.00 0.00 H new ATOM 0 HA VAL A 72 -17.081 -6.559 -13.440 1.00 0.00 H new ATOM 0 HB VAL A 72 -15.322 -4.480 -12.078 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.574 -5.139 -13.677 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.006 -6.474 -12.582 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -14.609 -6.466 -14.256 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -15.261 -3.452 -14.316 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -16.367 -4.710 -14.919 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -16.921 -3.557 -13.682 1.00 0.00 H new ATOM 1239 N ASP A 73 -16.099 -6.695 -10.297 1.00 0.00 N ATOM 1240 CA ASP A 73 -15.589 -7.583 -9.259 1.00 0.00 C ATOM 1241 C ASP A 73 -16.552 -8.740 -9.012 1.00 0.00 C ATOM 1242 O ASP A 73 -16.138 -9.896 -8.922 1.00 0.00 O ATOM 1243 CB ASP A 73 -15.361 -6.807 -7.960 1.00 0.00 C ATOM 1244 CG ASP A 73 -15.130 -7.721 -6.773 1.00 0.00 C ATOM 1245 OD1 ASP A 73 -13.973 -8.141 -6.564 1.00 0.00 O ATOM 1246 OD2 ASP A 73 -16.107 -8.016 -6.052 1.00 0.00 O ATOM 0 H ASP A 73 -16.395 -5.779 -9.960 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.638 -7.992 -9.601 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.501 -6.148 -8.080 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -16.225 -6.172 -7.763 1.00 0.00 H new ATOM 1251 N ASP A 74 -17.836 -8.421 -8.903 1.00 0.00 N ATOM 1252 CA ASP A 74 -18.859 -9.433 -8.667 1.00 0.00 C ATOM 1253 C ASP A 74 -18.836 -10.494 -9.763 1.00 0.00 C ATOM 1254 O ASP A 74 -18.766 -11.692 -9.483 1.00 0.00 O ATOM 1255 CB ASP A 74 -20.242 -8.785 -8.596 1.00 0.00 C ATOM 1256 CG ASP A 74 -20.592 -8.318 -7.197 1.00 0.00 C ATOM 1257 OD1 ASP A 74 -19.672 -7.899 -6.464 1.00 0.00 O ATOM 1258 OD2 ASP A 74 -21.786 -8.372 -6.835 1.00 0.00 O ATOM 0 H ASP A 74 -18.194 -7.469 -8.974 1.00 0.00 H new ATOM 0 HA ASP A 74 -18.644 -9.916 -7.714 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -20.278 -7.936 -9.279 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -20.992 -9.499 -8.936 1.00 0.00 H new ATOM 1263 N THR A 75 -18.897 -10.048 -11.014 1.00 0.00 N ATOM 1264 CA THR A 75 -18.886 -10.958 -12.152 1.00 0.00 C ATOM 1265 C THR A 75 -17.601 -11.778 -12.187 1.00 0.00 C ATOM 1266 O THR A 75 -17.629 -12.983 -12.438 1.00 0.00 O ATOM 1267 CB THR A 75 -19.032 -10.196 -13.482 1.00 0.00 C ATOM 1268 OG1 THR A 75 -19.357 -8.824 -13.228 1.00 0.00 O ATOM 1269 CG2 THR A 75 -20.110 -10.825 -14.351 1.00 0.00 C ATOM 0 H THR A 75 -18.955 -9.061 -11.264 1.00 0.00 H new ATOM 0 HA THR A 75 -19.738 -11.627 -12.030 1.00 0.00 H new ATOM 0 HB THR A 75 -18.082 -10.252 -14.013 1.00 0.00 H new ATOM 0 HG1 THR A 75 -19.074 -8.275 -13.989 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.195 -10.269 -15.285 1.00 0.00 H new ATOM 0 HG22 THR A 75 -19.845 -11.860 -14.567 1.00 0.00 H new ATOM 0 HG23 THR A 75 -21.064 -10.797 -13.825 1.00 0.00 H new ATOM 1277 N TYR A 76 -16.476 -11.118 -11.935 1.00 0.00 N ATOM 1278 CA TYR A 76 -15.180 -11.786 -11.940 1.00 0.00 C ATOM 1279 C TYR A 76 -15.087 -12.802 -10.806 1.00 0.00 C ATOM 1280 O TYR A 76 -14.430 -13.835 -10.936 1.00 0.00 O ATOM 1281 CB TYR A 76 -14.053 -10.759 -11.814 1.00 0.00 C ATOM 1282 CG TYR A 76 -12.717 -11.262 -12.313 1.00 0.00 C ATOM 1283 CD1 TYR A 76 -12.613 -11.928 -13.527 1.00 0.00 C ATOM 1284 CD2 TYR A 76 -11.559 -11.070 -11.569 1.00 0.00 C ATOM 1285 CE1 TYR A 76 -11.395 -12.390 -13.986 1.00 0.00 C ATOM 1286 CE2 TYR A 76 -10.336 -11.528 -12.021 1.00 0.00 C ATOM 1287 CZ TYR A 76 -10.259 -12.187 -13.230 1.00 0.00 C ATOM 1288 OH TYR A 76 -9.044 -12.645 -13.684 1.00 0.00 O ATOM 0 H TYR A 76 -16.435 -10.121 -11.725 1.00 0.00 H new ATOM 0 HA TYR A 76 -15.076 -12.315 -12.887 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -14.326 -9.863 -12.371 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -13.954 -10.467 -10.769 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -13.500 -12.087 -14.123 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -11.616 -10.554 -10.622 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.332 -12.908 -14.932 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.445 -11.371 -11.431 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.038 -13.625 -13.671 1.00 0.00 H new ATOM 1298 N ARG A 77 -15.750 -12.501 -9.694 1.00 0.00 N ATOM 1299 CA ARG A 77 -15.742 -13.386 -8.536 1.00 0.00 C ATOM 1300 C ARG A 77 -16.492 -14.681 -8.837 1.00 0.00 C ATOM 1301 O ARG A 77 -15.967 -15.776 -8.639 1.00 0.00 O ATOM 1302 CB ARG A 77 -16.372 -12.688 -7.329 1.00 0.00 C ATOM 1303 CG ARG A 77 -15.611 -12.911 -6.032 1.00 0.00 C ATOM 1304 CD ARG A 77 -14.876 -11.654 -5.594 1.00 0.00 C ATOM 1305 NE ARG A 77 -14.203 -10.997 -6.712 1.00 0.00 N ATOM 1306 CZ ARG A 77 -13.138 -11.500 -7.326 1.00 0.00 C ATOM 1307 NH1 ARG A 77 -12.628 -12.660 -6.935 1.00 0.00 N ATOM 1308 NH2 ARG A 77 -12.581 -10.843 -8.336 1.00 0.00 N ATOM 0 H ARG A 77 -16.300 -11.651 -9.571 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.705 -13.631 -8.305 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -16.429 -11.618 -7.528 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -17.395 -13.045 -7.206 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.305 -13.219 -5.250 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -14.897 -13.724 -6.163 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -15.583 -10.961 -5.138 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -14.143 -11.910 -4.829 1.00 0.00 H new ATOM 0 HE ARG A 77 -14.571 -10.104 -7.039 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.054 -13.169 -6.160 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -11.810 -13.043 -7.409 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -12.971 -9.951 -8.641 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -11.763 -11.230 -8.807 1.00 0.00 H new ATOM 1322 N LYS A 78 -17.725 -14.547 -9.315 1.00 0.00 N ATOM 1323 CA LYS A 78 -18.548 -15.704 -9.645 1.00 0.00 C ATOM 1324 C LYS A 78 -17.891 -16.548 -10.733 1.00 0.00 C ATOM 1325 O LYS A 78 -17.841 -17.773 -10.635 1.00 0.00 O ATOM 1326 CB LYS A 78 -19.937 -15.254 -10.102 1.00 0.00 C ATOM 1327 CG LYS A 78 -20.886 -14.950 -8.956 1.00 0.00 C ATOM 1328 CD LYS A 78 -21.764 -13.748 -9.262 1.00 0.00 C ATOM 1329 CE LYS A 78 -22.964 -14.136 -10.112 1.00 0.00 C ATOM 1330 NZ LYS A 78 -22.809 -13.695 -11.526 1.00 0.00 N ATOM 0 H LYS A 78 -18.176 -13.648 -9.482 1.00 0.00 H new ATOM 0 HA LYS A 78 -18.648 -16.315 -8.748 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -19.835 -14.365 -10.724 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -20.374 -16.032 -10.728 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -21.513 -15.820 -8.762 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -20.313 -14.761 -8.048 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -22.107 -13.300 -8.329 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -21.178 -12.991 -9.783 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -23.096 -15.218 -10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -23.866 -13.693 -9.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -23.648 -13.978 -12.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -22.709 -12.660 -11.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -21.962 -14.138 -11.937 1.00 0.00 H new ATOM 1344 N MET A 79 -17.388 -15.883 -11.768 1.00 0.00 N ATOM 1345 CA MET A 79 -16.732 -16.572 -12.872 1.00 0.00 C ATOM 1346 C MET A 79 -15.377 -17.123 -12.441 1.00 0.00 C ATOM 1347 O MET A 79 -14.887 -18.101 -13.005 1.00 0.00 O ATOM 1348 CB MET A 79 -16.556 -15.625 -14.061 1.00 0.00 C ATOM 1349 CG MET A 79 -16.684 -16.312 -15.410 1.00 0.00 C ATOM 1350 SD MET A 79 -15.177 -16.198 -16.394 1.00 0.00 S ATOM 1351 CE MET A 79 -15.232 -14.480 -16.899 1.00 0.00 C ATOM 0 H MET A 79 -17.422 -14.868 -11.865 1.00 0.00 H new ATOM 0 HA MET A 79 -17.365 -17.407 -13.173 1.00 0.00 H new ATOM 0 HB2 MET A 79 -17.299 -14.831 -13.995 1.00 0.00 H new ATOM 0 HB3 MET A 79 -15.577 -15.151 -13.995 1.00 0.00 H new ATOM 0 HG2 MET A 79 -16.934 -17.362 -15.256 1.00 0.00 H new ATOM 0 HG3 MET A 79 -17.510 -15.865 -15.964 1.00 0.00 H new ATOM 0 HE1 MET A 79 -14.730 -14.367 -17.860 1.00 0.00 H new ATOM 0 HE2 MET A 79 -16.270 -14.161 -16.993 1.00 0.00 H new ATOM 0 HE3 MET A 79 -14.730 -13.865 -16.152 1.00 0.00 H new ATOM 1361 N GLN A 80 -14.776 -16.488 -11.440 1.00 0.00 N ATOM 1362 CA GLN A 80 -13.477 -16.915 -10.935 1.00 0.00 C ATOM 1363 C GLN A 80 -13.444 -16.873 -9.411 1.00 0.00 C ATOM 1364 O GLN A 80 -12.795 -16.012 -8.818 1.00 0.00 O ATOM 1365 CB GLN A 80 -12.368 -16.029 -11.505 1.00 0.00 C ATOM 1366 CG GLN A 80 -12.483 -15.798 -13.003 1.00 0.00 C ATOM 1367 CD GLN A 80 -11.144 -15.870 -13.709 1.00 0.00 C ATOM 1368 OE1 GLN A 80 -10.144 -15.338 -13.226 1.00 0.00 O ATOM 1369 NE2 GLN A 80 -11.117 -16.531 -14.861 1.00 0.00 N ATOM 0 H GLN A 80 -15.168 -15.676 -10.963 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.312 -17.944 -11.255 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.386 -15.066 -10.995 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -11.402 -16.486 -11.289 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -13.155 -16.542 -13.431 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -12.932 -14.821 -13.183 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.970 -16.957 -15.225 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.244 -16.613 -15.382 1.00 0.00 H new ATOM 1378 N ILE A 81 -14.149 -17.809 -8.783 1.00 0.00 N ATOM 1379 CA ILE A 81 -14.200 -17.878 -7.328 1.00 0.00 C ATOM 1380 C ILE A 81 -12.892 -18.415 -6.757 1.00 0.00 C ATOM 1381 O ILE A 81 -12.843 -19.527 -6.232 1.00 0.00 O ATOM 1382 CB ILE A 81 -15.361 -18.769 -6.847 1.00 0.00 C ATOM 1383 CG1 ILE A 81 -15.355 -20.102 -7.598 1.00 0.00 C ATOM 1384 CG2 ILE A 81 -16.690 -18.054 -7.036 1.00 0.00 C ATOM 1385 CD1 ILE A 81 -16.221 -21.162 -6.955 1.00 0.00 C ATOM 0 H ILE A 81 -14.692 -18.529 -9.259 1.00 0.00 H new ATOM 0 HA ILE A 81 -14.360 -16.861 -6.969 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.228 -18.972 -5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -15.697 -19.936 -8.620 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -14.331 -20.470 -7.661 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.501 -18.696 -6.692 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.690 -17.129 -6.460 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -16.833 -17.824 -8.092 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -16.168 -22.080 -7.541 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -15.866 -21.357 -5.943 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -17.253 -20.815 -6.917 1.00 0.00 H new ATOM 1397 N GLN A 82 -11.835 -17.617 -6.862 1.00 0.00 N ATOM 1398 CA GLN A 82 -10.526 -18.012 -6.355 1.00 0.00 C ATOM 1399 C GLN A 82 -9.527 -16.865 -6.474 1.00 0.00 C ATOM 1400 O GLN A 82 -9.567 -16.091 -7.431 1.00 0.00 O ATOM 1401 CB GLN A 82 -10.009 -19.235 -7.115 1.00 0.00 C ATOM 1402 CG GLN A 82 -8.794 -19.883 -6.471 1.00 0.00 C ATOM 1403 CD GLN A 82 -9.151 -21.111 -5.658 1.00 0.00 C ATOM 1404 OE1 GLN A 82 -10.206 -21.007 -4.858 1.00 0.00 O flip ATOM 1405 NE2 GLN A 82 -8.485 -22.144 -5.747 1.00 0.00 N flip ATOM 0 H GLN A 82 -11.859 -16.693 -7.293 1.00 0.00 H new ATOM 0 HA GLN A 82 -10.635 -18.267 -5.301 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.808 -19.972 -7.187 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.756 -18.939 -8.133 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -8.081 -20.160 -7.247 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -8.298 -19.157 -5.827 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.682 -22.180 -6.375 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.737 -22.963 -5.193 1.00 0.00 H new ATOM 1414 N CYS A 83 -8.634 -16.762 -5.496 1.00 0.00 N ATOM 1415 CA CYS A 83 -7.625 -15.709 -5.490 1.00 0.00 C ATOM 1416 C CYS A 83 -8.276 -14.333 -5.391 1.00 0.00 C ATOM 1417 O CYS A 83 -7.671 -13.322 -5.745 1.00 0.00 O ATOM 1418 CB CYS A 83 -6.765 -15.790 -6.751 1.00 0.00 C ATOM 1419 SG CYS A 83 -5.027 -15.369 -6.488 1.00 0.00 S ATOM 0 H CYS A 83 -8.588 -17.395 -4.697 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.989 -15.854 -4.616 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -6.826 -16.801 -7.155 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.180 -15.120 -7.504 1.00 0.00 H new ATOM 0 HG CYS A 83 -4.381 -15.469 -7.612 1.00 0.00 H new ATOM 1425 N ALA A 84 -9.515 -14.303 -4.910 1.00 0.00 N ATOM 1426 CA ALA A 84 -10.248 -13.052 -4.765 1.00 0.00 C ATOM 1427 C ALA A 84 -9.431 -12.023 -3.992 1.00 0.00 C ATOM 1428 O ALA A 84 -9.080 -12.220 -2.828 1.00 0.00 O ATOM 1429 CB ALA A 84 -11.581 -13.298 -4.073 1.00 0.00 C ATOM 0 H ALA A 84 -10.032 -15.131 -4.614 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.437 -12.653 -5.762 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.118 -12.355 -3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -12.176 -13.992 -4.666 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.405 -13.724 -3.085 1.00 0.00 H new ATOM 1435 N PRO A 85 -9.118 -10.898 -4.652 1.00 0.00 N ATOM 1436 CA PRO A 85 -8.337 -9.815 -4.045 1.00 0.00 C ATOM 1437 C PRO A 85 -9.114 -9.079 -2.959 1.00 0.00 C ATOM 1438 O PRO A 85 -8.565 -8.227 -2.260 1.00 0.00 O ATOM 1439 CB PRO A 85 -8.050 -8.882 -5.223 1.00 0.00 C ATOM 1440 CG PRO A 85 -9.154 -9.140 -6.190 1.00 0.00 C ATOM 1441 CD PRO A 85 -9.502 -10.596 -6.041 1.00 0.00 C ATOM 0 HA PRO A 85 -7.440 -10.187 -3.550 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -8.036 -7.839 -4.907 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -7.077 -9.093 -5.667 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -10.016 -8.509 -5.976 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.840 -8.916 -7.210 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.563 -10.775 -6.212 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.955 -11.215 -6.753 1.00 0.00 H new ATOM 1449 N ASP A 86 -10.393 -9.413 -2.823 1.00 0.00 N ATOM 1450 CA ASP A 86 -11.245 -8.783 -1.821 1.00 0.00 C ATOM 1451 C ASP A 86 -11.426 -7.298 -2.117 1.00 0.00 C ATOM 1452 O ASP A 86 -11.542 -6.481 -1.202 1.00 0.00 O ATOM 1453 CB ASP A 86 -10.648 -8.969 -0.425 1.00 0.00 C ATOM 1454 CG ASP A 86 -11.651 -8.681 0.676 1.00 0.00 C ATOM 1455 OD1 ASP A 86 -12.811 -9.126 0.552 1.00 0.00 O ATOM 1456 OD2 ASP A 86 -11.275 -8.010 1.660 1.00 0.00 O ATOM 0 H ASP A 86 -10.862 -10.116 -3.394 1.00 0.00 H new ATOM 0 HA ASP A 86 -12.223 -9.263 -1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -10.283 -9.991 -0.322 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.787 -8.310 -0.310 1.00 0.00 H new ATOM 1461 N LEU A 87 -11.448 -6.954 -3.400 1.00 0.00 N ATOM 1462 CA LEU A 87 -11.615 -5.566 -3.817 1.00 0.00 C ATOM 1463 C LEU A 87 -10.717 -4.641 -3.001 1.00 0.00 C ATOM 1464 O LEU A 87 -11.052 -3.479 -2.771 1.00 0.00 O ATOM 1465 CB LEU A 87 -13.076 -5.140 -3.668 1.00 0.00 C ATOM 1466 CG LEU A 87 -13.534 -4.796 -2.250 1.00 0.00 C ATOM 1467 CD1 LEU A 87 -14.371 -3.526 -2.253 1.00 0.00 C ATOM 1468 CD2 LEU A 87 -14.318 -5.952 -1.648 1.00 0.00 C ATOM 0 H LEU A 87 -11.352 -7.617 -4.169 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.327 -5.490 -4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.247 -4.272 -4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.708 -5.943 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.651 -4.623 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -14.688 -3.297 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.777 -2.700 -2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.249 -3.670 -2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -14.636 -5.690 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -15.194 -6.157 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -13.686 -6.839 -1.610 1.00 0.00 H new ATOM 1480 N ALA A 88 -9.575 -5.164 -2.567 1.00 0.00 N ATOM 1481 CA ALA A 88 -8.628 -4.384 -1.781 1.00 0.00 C ATOM 1482 C ALA A 88 -9.325 -3.680 -0.622 1.00 0.00 C ATOM 1483 O ALA A 88 -8.944 -2.576 -0.232 1.00 0.00 O ATOM 1484 CB ALA A 88 -7.916 -3.371 -2.665 1.00 0.00 C ATOM 0 H ALA A 88 -9.284 -6.125 -2.747 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.889 -5.069 -1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.212 -2.795 -2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.377 -3.893 -3.455 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.649 -2.697 -3.110 1.00 0.00 H new ATOM 1490 N THR A 89 -10.351 -4.325 -0.074 1.00 0.00 N ATOM 1491 CA THR A 89 -11.103 -3.759 1.039 1.00 0.00 C ATOM 1492 C THR A 89 -11.554 -2.336 0.731 1.00 0.00 C ATOM 1493 O THR A 89 -11.723 -1.519 1.636 1.00 0.00 O ATOM 1494 CB THR A 89 -10.269 -3.752 2.334 1.00 0.00 C ATOM 1495 OG1 THR A 89 -9.500 -4.957 2.428 1.00 0.00 O ATOM 1496 CG2 THR A 89 -11.167 -3.621 3.555 1.00 0.00 C ATOM 0 H THR A 89 -10.680 -5.240 -0.383 1.00 0.00 H new ATOM 0 HA THR A 89 -11.979 -4.392 1.183 1.00 0.00 H new ATOM 0 HB THR A 89 -9.597 -2.894 2.303 1.00 0.00 H new ATOM 0 HG1 THR A 89 -8.971 -4.944 3.253 1.00 0.00 H new ATOM 0 HG21 THR A 89 -10.556 -3.618 4.458 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.729 -2.689 3.495 1.00 0.00 H new ATOM 0 HG23 THR A 89 -11.860 -4.462 3.589 1.00 0.00 H new ATOM 1504 N ARG A 90 -11.750 -2.047 -0.551 1.00 0.00 N ATOM 1505 CA ARG A 90 -12.182 -0.722 -0.978 1.00 0.00 C ATOM 1506 C ARG A 90 -11.238 0.355 -0.449 1.00 0.00 C ATOM 1507 O ARG A 90 -11.627 1.512 -0.291 1.00 0.00 O ATOM 1508 CB ARG A 90 -13.607 -0.447 -0.496 1.00 0.00 C ATOM 1509 CG ARG A 90 -14.632 -0.404 -1.618 1.00 0.00 C ATOM 1510 CD ARG A 90 -15.284 0.965 -1.726 1.00 0.00 C ATOM 1511 NE ARG A 90 -16.685 0.875 -2.128 1.00 0.00 N ATOM 1512 CZ ARG A 90 -17.545 1.881 -2.025 1.00 0.00 C ATOM 1513 NH1 ARG A 90 -17.150 3.049 -1.536 1.00 0.00 N ATOM 1514 NH2 ARG A 90 -18.805 1.722 -2.412 1.00 0.00 N ATOM 0 H ARG A 90 -11.616 -2.713 -1.312 1.00 0.00 H new ATOM 0 HA ARG A 90 -12.162 -0.695 -2.067 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.895 -1.218 0.218 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.624 0.504 0.037 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -14.149 -0.654 -2.563 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.398 -1.160 -1.442 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -15.215 1.476 -0.766 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -14.738 1.570 -2.449 1.00 0.00 H new ATOM 0 HE ARG A 90 -17.021 -0.009 -2.509 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -16.183 3.176 -1.238 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -17.813 3.820 -1.458 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -19.113 0.826 -2.789 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -19.465 2.496 -2.332 1.00 0.00 H new ATOM 1528 N SER A 91 -9.997 -0.036 -0.176 1.00 0.00 N ATOM 1529 CA SER A 91 -8.999 0.894 0.340 1.00 0.00 C ATOM 1530 C SER A 91 -7.718 0.829 -0.486 1.00 0.00 C ATOM 1531 O SER A 91 -6.927 -0.105 -0.354 1.00 0.00 O ATOM 1532 CB SER A 91 -8.691 0.583 1.806 1.00 0.00 C ATOM 1533 OG SER A 91 -8.314 -0.774 1.971 1.00 0.00 O ATOM 0 H SER A 91 -9.659 -0.990 -0.303 1.00 0.00 H new ATOM 0 HA SER A 91 -9.406 1.903 0.268 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.889 1.232 2.158 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.567 0.798 2.418 1.00 0.00 H new ATOM 0 HG SER A 91 -7.686 -1.028 1.263 1.00 0.00 H new ATOM 1539 N HIS A 92 -7.521 1.829 -1.340 1.00 0.00 N ATOM 1540 CA HIS A 92 -6.336 1.887 -2.188 1.00 0.00 C ATOM 1541 C HIS A 92 -6.315 3.176 -3.005 1.00 0.00 C ATOM 1542 O HIS A 92 -5.254 3.752 -3.247 1.00 0.00 O ATOM 1543 CB HIS A 92 -6.291 0.677 -3.122 1.00 0.00 C ATOM 1544 CG HIS A 92 -4.901 0.246 -3.477 1.00 0.00 C ATOM 1545 ND1 HIS A 92 -3.744 0.945 -3.532 1.00 0.00 N flip ATOM 1546 CD2 HIS A 92 -4.583 -1.048 -3.832 1.00 0.00 C flip ATOM 1547 CE1 HIS A 92 -2.757 0.070 -3.914 1.00 0.00 C flip ATOM 1548 NE2 HIS A 92 -3.289 -1.126 -4.088 1.00 0.00 N flip ATOM 0 H HIS A 92 -8.166 2.609 -1.463 1.00 0.00 H new ATOM 0 HA HIS A 92 -5.457 1.872 -1.543 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -6.811 -0.156 -2.649 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -6.834 0.914 -4.037 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -5.282 -1.869 -3.891 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -1.715 0.319 -4.050 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -2.787 -1.967 -4.372 1.00 0.00 H new ATOM 1556 N SER A 93 -7.493 3.622 -3.427 1.00 0.00 N ATOM 1557 CA SER A 93 -7.610 4.840 -4.221 1.00 0.00 C ATOM 1558 C SER A 93 -8.250 5.960 -3.406 1.00 0.00 C ATOM 1559 O SER A 93 -9.270 6.524 -3.799 1.00 0.00 O ATOM 1560 CB SER A 93 -8.435 4.576 -5.481 1.00 0.00 C ATOM 1561 OG SER A 93 -7.656 3.931 -6.475 1.00 0.00 O ATOM 0 H SER A 93 -8.381 3.159 -3.233 1.00 0.00 H new ATOM 0 HA SER A 93 -6.607 5.152 -4.511 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.297 3.957 -5.232 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.821 5.518 -5.871 1.00 0.00 H new ATOM 0 HG SER A 93 -8.207 3.772 -7.270 1.00 0.00 H new ATOM 1567 N GLY A 94 -7.642 6.277 -2.267 1.00 0.00 N ATOM 1568 CA GLY A 94 -8.165 7.327 -1.413 1.00 0.00 C ATOM 1569 C GLY A 94 -7.484 8.660 -1.651 1.00 0.00 C ATOM 1570 O GLY A 94 -7.894 9.428 -2.522 1.00 0.00 O ATOM 0 H GLY A 94 -6.796 5.825 -1.920 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.236 7.433 -1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.039 7.039 -0.369 1.00 0.00 H new ATOM 1574 N SER A 95 -6.442 8.938 -0.874 1.00 0.00 N ATOM 1575 CA SER A 95 -5.706 10.190 -1.000 1.00 0.00 C ATOM 1576 C SER A 95 -4.202 9.945 -0.935 1.00 0.00 C ATOM 1577 O SER A 95 -3.733 8.831 -1.169 1.00 0.00 O ATOM 1578 CB SER A 95 -6.124 11.165 0.103 1.00 0.00 C ATOM 1579 OG SER A 95 -6.004 12.509 -0.332 1.00 0.00 O ATOM 0 H SER A 95 -6.088 8.312 -0.150 1.00 0.00 H new ATOM 0 HA SER A 95 -5.944 10.627 -1.970 1.00 0.00 H new ATOM 0 HB2 SER A 95 -7.154 10.965 0.398 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.504 11.008 0.986 1.00 0.00 H new ATOM 0 HG SER A 95 -5.542 12.533 -1.196 1.00 0.00 H new ATOM 1585 N ASP A 96 -3.452 10.994 -0.615 1.00 0.00 N ATOM 1586 CA ASP A 96 -2.000 10.894 -0.518 1.00 0.00 C ATOM 1587 C ASP A 96 -1.595 9.899 0.565 1.00 0.00 C ATOM 1588 O ASP A 96 -0.435 9.494 0.649 1.00 0.00 O ATOM 1589 CB ASP A 96 -1.392 12.265 -0.221 1.00 0.00 C ATOM 1590 CG ASP A 96 -1.221 13.106 -1.471 1.00 0.00 C ATOM 1591 OD1 ASP A 96 -2.230 13.654 -1.960 1.00 0.00 O ATOM 1592 OD2 ASP A 96 -0.077 13.215 -1.960 1.00 0.00 O ATOM 0 H ASP A 96 -3.825 11.923 -0.418 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.620 10.536 -1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -2.029 12.796 0.486 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -0.423 12.133 0.260 1.00 0.00 H new ATOM 1597 N PHE A 97 -2.559 9.509 1.394 1.00 0.00 N ATOM 1598 CA PHE A 97 -2.302 8.563 2.473 1.00 0.00 C ATOM 1599 C PHE A 97 -3.228 7.355 2.369 1.00 0.00 C ATOM 1600 O PHE A 97 -3.336 6.559 3.302 1.00 0.00 O ATOM 1601 CB PHE A 97 -2.485 9.244 3.831 1.00 0.00 C ATOM 1602 CG PHE A 97 -1.259 9.194 4.697 1.00 0.00 C ATOM 1603 CD1 PHE A 97 -0.933 8.042 5.394 1.00 0.00 C ATOM 1604 CD2 PHE A 97 -0.432 10.300 4.814 1.00 0.00 C ATOM 1605 CE1 PHE A 97 0.195 7.993 6.191 1.00 0.00 C ATOM 1606 CE2 PHE A 97 0.698 10.257 5.609 1.00 0.00 C ATOM 1607 CZ PHE A 97 1.011 9.102 6.299 1.00 0.00 C ATOM 0 H PHE A 97 -3.524 9.834 1.339 1.00 0.00 H new ATOM 0 HA PHE A 97 -1.272 8.218 2.383 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -2.765 10.285 3.671 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -3.312 8.769 4.358 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.568 7.172 5.314 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -0.673 11.206 4.278 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.438 7.089 6.729 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.335 11.125 5.691 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.892 9.066 6.922 1.00 0.00 H new ATOM 1617 N SER A 98 -3.895 7.224 1.226 1.00 0.00 N ATOM 1618 CA SER A 98 -4.816 6.116 1.001 1.00 0.00 C ATOM 1619 C SER A 98 -5.931 6.116 2.041 1.00 0.00 C ATOM 1620 O SER A 98 -6.292 5.071 2.581 1.00 0.00 O ATOM 1621 CB SER A 98 -4.064 4.785 1.042 1.00 0.00 C ATOM 1622 OG SER A 98 -2.841 4.867 0.332 1.00 0.00 O ATOM 0 H SER A 98 -3.815 7.871 0.442 1.00 0.00 H new ATOM 0 HA SER A 98 -5.264 6.242 0.015 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.869 4.506 2.077 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.685 3.999 0.612 1.00 0.00 H new ATOM 0 HG SER A 98 -2.379 4.004 0.375 1.00 0.00 H new ATOM 1628 N PHE A 99 -6.474 7.298 2.317 1.00 0.00 N ATOM 1629 CA PHE A 99 -7.548 7.436 3.294 1.00 0.00 C ATOM 1630 C PHE A 99 -8.223 8.799 3.171 1.00 0.00 C ATOM 1631 O PHE A 99 -8.268 9.569 4.130 1.00 0.00 O ATOM 1632 CB PHE A 99 -7.005 7.249 4.712 1.00 0.00 C ATOM 1633 CG PHE A 99 -8.072 6.973 5.732 1.00 0.00 C ATOM 1634 CD1 PHE A 99 -8.824 5.811 5.671 1.00 0.00 C ATOM 1635 CD2 PHE A 99 -8.324 7.876 6.752 1.00 0.00 C ATOM 1636 CE1 PHE A 99 -9.807 5.555 6.607 1.00 0.00 C ATOM 1637 CE2 PHE A 99 -9.306 7.626 7.692 1.00 0.00 C ATOM 1638 CZ PHE A 99 -10.047 6.463 7.620 1.00 0.00 C ATOM 0 H PHE A 99 -6.188 8.173 1.878 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.290 6.663 3.092 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.291 6.425 4.713 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.458 8.145 5.004 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.639 5.097 4.882 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.746 8.786 6.813 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -10.387 4.646 6.547 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.493 8.339 8.481 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.813 6.264 8.355 1.00 0.00 H new ATOM 1648 N ARG A 100 -8.745 9.089 1.984 1.00 0.00 N ATOM 1649 CA ARG A 100 -9.416 10.360 1.735 1.00 0.00 C ATOM 1650 C ARG A 100 -10.467 10.639 2.805 1.00 0.00 C ATOM 1651 O ARG A 100 -11.238 9.762 3.196 1.00 0.00 O ATOM 1652 CB ARG A 100 -10.069 10.353 0.352 1.00 0.00 C ATOM 1653 CG ARG A 100 -10.784 11.649 0.009 1.00 0.00 C ATOM 1654 CD ARG A 100 -9.872 12.607 -0.742 1.00 0.00 C ATOM 1655 NE ARG A 100 -10.202 14.003 -0.470 1.00 0.00 N ATOM 1656 CZ ARG A 100 -9.613 15.029 -1.076 1.00 0.00 C ATOM 1657 NH1 ARG A 100 -8.670 14.814 -1.983 1.00 0.00 N ATOM 1658 NH2 ARG A 100 -9.968 16.271 -0.775 1.00 0.00 N ATOM 0 H ARG A 100 -8.717 8.462 1.180 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.667 11.151 1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -9.304 10.160 -0.400 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -10.782 9.530 0.300 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -11.663 11.431 -0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -11.138 12.124 0.924 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.836 12.418 -0.460 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -9.950 12.418 -1.813 1.00 0.00 H new ATOM 0 HE ARG A 100 -10.924 14.202 0.223 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -8.395 13.860 -2.217 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.219 15.603 -2.447 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.693 16.439 -0.078 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.516 17.058 -1.240 1.00 0.00 H new ATOM 1672 N PRO A 101 -10.500 11.889 3.290 1.00 0.00 N ATOM 1673 CA PRO A 101 -11.452 12.313 4.321 1.00 0.00 C ATOM 1674 C PRO A 101 -12.883 12.373 3.799 1.00 0.00 C ATOM 1675 O PRO A 101 -13.163 11.948 2.678 1.00 0.00 O ATOM 1676 CB PRO A 101 -10.962 13.712 4.702 1.00 0.00 C ATOM 1677 CG PRO A 101 -10.235 14.200 3.497 1.00 0.00 C ATOM 1678 CD PRO A 101 -9.611 12.985 2.870 1.00 0.00 C ATOM 0 HA PRO A 101 -11.484 11.615 5.158 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.795 14.368 4.954 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -10.307 13.679 5.573 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.916 14.691 2.802 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.475 14.932 3.770 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.565 13.072 1.784 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.590 12.831 3.221 1.00 0.00 H new ATOM 1686 N ILE A 102 -13.785 12.904 4.618 1.00 0.00 N ATOM 1687 CA ILE A 102 -15.187 13.020 4.237 1.00 0.00 C ATOM 1688 C ILE A 102 -15.789 14.326 4.748 1.00 0.00 C ATOM 1689 O ILE A 102 -16.964 14.380 5.106 1.00 0.00 O ATOM 1690 CB ILE A 102 -16.017 11.840 4.776 1.00 0.00 C ATOM 1691 CG1 ILE A 102 -15.200 10.548 4.723 1.00 0.00 C ATOM 1692 CG2 ILE A 102 -17.306 11.692 3.981 1.00 0.00 C ATOM 1693 CD1 ILE A 102 -16.050 9.297 4.693 1.00 0.00 C ATOM 0 H ILE A 102 -13.570 13.260 5.549 1.00 0.00 H new ATOM 0 HA ILE A 102 -15.220 13.009 3.148 1.00 0.00 H new ATOM 0 HB ILE A 102 -16.276 12.041 5.815 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -14.563 10.566 3.839 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -14.540 10.509 5.590 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -17.882 10.854 4.374 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -17.893 12.607 4.066 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -17.068 11.509 2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -15.405 8.419 4.656 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -16.668 9.255 5.590 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -16.691 9.314 3.811 1.00 0.00 H new ATOM 1705 N GLU A 103 -14.973 15.375 4.776 1.00 0.00 N ATOM 1706 CA GLU A 103 -15.426 16.681 5.241 1.00 0.00 C ATOM 1707 C GLU A 103 -16.713 17.095 4.533 1.00 0.00 C ATOM 1708 O GLU A 103 -17.553 17.787 5.107 1.00 0.00 O ATOM 1709 CB GLU A 103 -14.341 17.735 5.008 1.00 0.00 C ATOM 1710 CG GLU A 103 -13.732 18.275 6.291 1.00 0.00 C ATOM 1711 CD GLU A 103 -12.623 19.276 6.034 1.00 0.00 C ATOM 1712 OE1 GLU A 103 -11.480 18.844 5.775 1.00 0.00 O ATOM 1713 OE2 GLU A 103 -12.899 20.493 6.090 1.00 0.00 O ATOM 0 H GLU A 103 -13.996 15.346 4.483 1.00 0.00 H new ATOM 0 HA GLU A 103 -15.627 16.607 6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -13.551 17.302 4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -14.766 18.563 4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -14.512 18.748 6.888 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -13.339 17.446 6.879 1.00 0.00 H new ATOM 1720 N GLU A 104 -16.858 16.666 3.284 1.00 0.00 N ATOM 1721 CA GLU A 104 -18.042 16.993 2.497 1.00 0.00 C ATOM 1722 C GLU A 104 -19.273 16.272 3.040 1.00 0.00 C ATOM 1723 O GLU A 104 -19.640 15.201 2.559 1.00 0.00 O ATOM 1724 CB GLU A 104 -17.825 16.620 1.029 1.00 0.00 C ATOM 1725 CG GLU A 104 -18.762 17.339 0.073 1.00 0.00 C ATOM 1726 CD GLU A 104 -18.558 18.841 0.075 1.00 0.00 C ATOM 1727 OE1 GLU A 104 -17.652 19.318 -0.640 1.00 0.00 O ATOM 1728 OE2 GLU A 104 -19.304 19.540 0.793 1.00 0.00 O ATOM 0 H GLU A 104 -16.171 16.092 2.795 1.00 0.00 H new ATOM 0 HA GLU A 104 -18.210 18.067 2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -16.795 16.847 0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -17.957 15.544 0.913 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -18.609 16.957 -0.936 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -19.794 17.116 0.345 1.00 0.00 H new ATOM 1735 N ALA A 105 -19.904 16.868 4.046 1.00 0.00 N ATOM 1736 CA ALA A 105 -21.093 16.285 4.654 1.00 0.00 C ATOM 1737 C ALA A 105 -21.770 17.275 5.597 1.00 0.00 C ATOM 1738 O ALA A 105 -21.507 18.477 5.543 1.00 0.00 O ATOM 1739 CB ALA A 105 -20.734 15.007 5.398 1.00 0.00 C ATOM 0 H ALA A 105 -19.611 17.754 4.457 1.00 0.00 H new ATOM 0 HA ALA A 105 -21.796 16.043 3.857 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -21.632 14.583 5.847 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -20.303 14.289 4.700 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -20.009 15.233 6.180 1.00 0.00 H new TER 1745 ALA A 105