USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 965 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 17 GLN : amide:sc= -0.191 K(o=0.36,f=-4.1!) USER MOD Set 1.2: A 91 LYS NZ :NH3+ 169:sc= 0.549 (180deg=0) USER MOD Set 2.1: A 52 THR OG1 : rot 47:sc= 1.14 USER MOD Set 2.2: A 55 SER OG : rot 93:sc= 1.7 USER MOD Set 3.1: A 36 LYS NZ :NH3+ -167:sc= 0.0525 (180deg=-0.0116) USER MOD Set 3.2: A 56 SER OG : rot -160:sc= -0.216 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc=-0.00545 (180deg=-0.388) USER MOD Single : A 4 THR OG1 : rot -88:sc= 1.24 USER MOD Single : A 6 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0554) USER MOD Single : A 13 HIS : no HD1:sc= -0.31 X(o=-0.31,f=-0.49) USER MOD Single : A 26 LYS NZ :NH3+ -159:sc= 0.801 (180deg=0.0394) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.48! C(o=-1.5!,f=-3.1!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 28:sc= 0.102 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 19:sc= 0.774 USER MOD Single : A 47 SER OG : rot -140:sc= -0.115 USER MOD Single : A 50 SER OG : rot 91:sc= 1.24 USER MOD Single : A 51 TYR OH : rot 166:sc= -0.488 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 143:sc= 0.221 (180deg=-2.67!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 66 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.1) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.295 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -1.31! K(o=-1.3!,f=0) USER MOD Single : A 79 GLN : amide:sc= -3.84! C(o=-3.8!,f=-11!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -175:sc= 1.23 (180deg=1.15) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -100:sc= 0.0609 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -160:sc= 0.812 (180deg=-0.504!) USER MOD Single : A 111 GLN : amide:sc= -0.303 K(o=-0.3,f=-1.9!) USER MOD Single : A 113 LYS NZ :NH3+ -175:sc= 0.492 (180deg=0.452) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.889 -8.271 1.410 1.00 16.25 N ATOM 2 CA MET A 1 22.081 -7.171 0.825 1.00 15.99 C ATOM 3 C MET A 1 22.484 -6.920 -0.615 1.00 15.41 C ATOM 4 O MET A 1 23.612 -7.208 -1.006 1.00 15.45 O ATOM 5 CB MET A 1 22.292 -5.907 1.661 1.00 16.51 C ATOM 6 CG MET A 1 23.716 -5.408 1.686 1.00 16.79 C ATOM 7 SD MET A 1 23.944 -4.032 2.821 1.00 17.24 S ATOM 8 CE MET A 1 25.723 -3.862 2.733 1.00 17.83 C ATOM 0 H1 MET A 1 23.112 -8.049 2.401 1.00 16.25 H new ATOM 0 H2 MET A 1 22.349 -9.159 1.367 1.00 16.25 H new ATOM 0 H3 MET A 1 23.773 -8.377 0.872 1.00 16.25 H new ATOM 0 HA MET A 1 21.027 -7.450 0.835 1.00 15.99 H new ATOM 0 HB2 MET A 1 21.650 -5.117 1.272 1.00 16.51 H new ATOM 0 HB3 MET A 1 21.971 -6.104 2.684 1.00 16.51 H new ATOM 0 HG2 MET A 1 24.379 -6.225 1.972 1.00 16.79 H new ATOM 0 HG3 MET A 1 24.007 -5.099 0.682 1.00 16.79 H new ATOM 0 HE1 MET A 1 26.043 -3.047 3.382 1.00 17.83 H new ATOM 0 HE2 MET A 1 26.194 -4.790 3.058 1.00 17.83 H new ATOM 0 HE3 MET A 1 26.017 -3.646 1.706 1.00 17.83 H new ATOM 20 N GLY A 2 21.568 -6.380 -1.395 1.00 15.02 N ATOM 21 CA GLY A 2 21.873 -6.105 -2.781 1.00 14.60 C ATOM 22 C GLY A 2 22.461 -4.725 -2.957 1.00 13.81 C ATOM 23 O GLY A 2 22.537 -3.965 -1.996 1.00 13.66 O ATOM 0 H GLY A 2 20.625 -6.128 -1.099 1.00 15.02 H new ATOM 0 HA2 GLY A 2 22.575 -6.851 -3.155 1.00 14.60 H new ATOM 0 HA3 GLY A 2 20.966 -6.194 -3.378 1.00 14.60 H new ATOM 27 N ASP A 3 22.886 -4.406 -4.179 1.00 13.48 N ATOM 28 CA ASP A 3 23.481 -3.098 -4.476 1.00 12.89 C ATOM 29 C ASP A 3 22.466 -1.978 -4.270 1.00 12.18 C ATOM 30 O ASP A 3 22.825 -0.864 -3.898 1.00 12.23 O ATOM 31 CB ASP A 3 24.034 -3.053 -5.912 1.00 13.20 C ATOM 32 CG ASP A 3 22.976 -3.257 -6.983 1.00 13.55 C ATOM 33 OD1 ASP A 3 22.184 -2.327 -7.241 1.00 13.96 O ATOM 34 OD2 ASP A 3 22.927 -4.357 -7.577 1.00 13.59 O ATOM 0 H ASP A 3 22.831 -5.034 -4.981 1.00 13.48 H new ATOM 0 HA ASP A 3 24.309 -2.949 -3.783 1.00 12.89 H new ATOM 0 HB2 ASP A 3 24.521 -2.091 -6.074 1.00 13.20 H new ATOM 0 HB3 ASP A 3 24.800 -3.821 -6.021 1.00 13.20 H new ATOM 39 N THR A 4 21.202 -2.302 -4.508 1.00 11.73 N ATOM 40 CA THR A 4 20.106 -1.363 -4.341 1.00 11.23 C ATOM 41 C THR A 4 18.950 -2.051 -3.646 1.00 10.51 C ATOM 42 O THR A 4 17.790 -1.955 -4.067 1.00 10.53 O ATOM 43 CB THR A 4 19.663 -0.785 -5.689 1.00 11.64 C ATOM 44 OG1 THR A 4 19.738 -1.769 -6.716 1.00 12.39 O ATOM 45 CG2 THR A 4 20.481 0.420 -6.112 1.00 11.87 C ATOM 0 H THR A 4 20.909 -3.227 -4.823 1.00 11.73 H new ATOM 0 HA THR A 4 20.449 -0.531 -3.725 1.00 11.23 H new ATOM 0 HB THR A 4 18.631 -0.465 -5.548 1.00 11.64 H new ATOM 0 HG1 THR A 4 20.637 -1.766 -7.107 1.00 12.39 H new ATOM 0 HG21 THR A 4 20.121 0.785 -7.074 1.00 11.87 H new ATOM 0 HG22 THR A 4 20.382 1.207 -5.365 1.00 11.87 H new ATOM 0 HG23 THR A 4 21.529 0.135 -6.202 1.00 11.87 H new ATOM 53 N GLY A 5 19.271 -2.761 -2.582 1.00 10.10 N ATOM 54 CA GLY A 5 18.254 -3.459 -1.850 1.00 9.63 C ATOM 55 C GLY A 5 18.725 -3.921 -0.483 1.00 9.04 C ATOM 56 O GLY A 5 19.368 -4.967 -0.363 1.00 9.05 O ATOM 0 H GLY A 5 20.217 -2.864 -2.215 1.00 10.10 H new ATOM 0 HA2 GLY A 5 17.388 -2.808 -1.730 1.00 9.63 H new ATOM 0 HA3 GLY A 5 17.926 -4.323 -2.427 1.00 9.63 H new ATOM 60 N LYS A 6 18.379 -3.158 0.543 1.00 8.78 N ATOM 61 CA LYS A 6 18.726 -3.496 1.917 1.00 8.49 C ATOM 62 C LYS A 6 17.689 -4.491 2.419 1.00 7.56 C ATOM 63 O LYS A 6 17.990 -5.650 2.698 1.00 7.43 O ATOM 64 CB LYS A 6 18.720 -2.247 2.808 1.00 9.13 C ATOM 65 CG LYS A 6 19.597 -1.113 2.296 1.00 9.99 C ATOM 66 CD LYS A 6 19.458 0.144 3.155 1.00 10.66 C ATOM 67 CE LYS A 6 20.231 1.301 2.565 1.00 11.46 C ATOM 68 NZ LYS A 6 21.688 1.057 2.562 1.00 11.90 N ATOM 0 H LYS A 6 17.852 -2.290 0.448 1.00 8.78 H new ATOM 0 HA LYS A 6 19.729 -3.922 1.952 1.00 8.49 H new ATOM 0 HB2 LYS A 6 17.696 -1.886 2.902 1.00 9.13 H new ATOM 0 HB3 LYS A 6 19.052 -2.526 3.808 1.00 9.13 H new ATOM 0 HG2 LYS A 6 20.639 -1.434 2.288 1.00 9.99 H new ATOM 0 HG3 LYS A 6 19.327 -0.881 1.266 1.00 9.99 H new ATOM 0 HD2 LYS A 6 18.405 0.413 3.241 1.00 10.66 H new ATOM 0 HD3 LYS A 6 19.818 -0.060 4.163 1.00 10.66 H new ATOM 0 HE2 LYS A 6 19.892 1.479 1.544 1.00 11.46 H new ATOM 0 HE3 LYS A 6 20.017 2.206 3.134 1.00 11.46 H new ATOM 0 HZ1 LYS A 6 22.183 1.915 2.244 1.00 11.90 H new ATOM 0 HZ2 LYS A 6 22.001 0.813 3.523 1.00 11.90 H new ATOM 0 HZ3 LYS A 6 21.907 0.271 1.917 1.00 11.90 H new ATOM 82 N LEU A 7 16.448 -4.029 2.480 1.00 7.18 N ATOM 83 CA LEU A 7 15.323 -4.866 2.887 1.00 6.55 C ATOM 84 C LEU A 7 14.224 -4.768 1.839 1.00 5.97 C ATOM 85 O LEU A 7 13.945 -5.722 1.107 1.00 6.20 O ATOM 86 CB LEU A 7 14.761 -4.438 4.255 1.00 7.03 C ATOM 87 CG LEU A 7 15.557 -4.876 5.501 1.00 7.64 C ATOM 88 CD1 LEU A 7 15.840 -6.371 5.482 1.00 8.38 C ATOM 89 CD2 LEU A 7 16.850 -4.099 5.641 1.00 7.67 C ATOM 0 H LEU A 7 16.191 -3.069 2.251 1.00 7.18 H new ATOM 0 HA LEU A 7 15.678 -5.893 2.975 1.00 6.55 H new ATOM 0 HB2 LEU A 7 14.684 -3.351 4.266 1.00 7.03 H new ATOM 0 HB3 LEU A 7 13.748 -4.830 4.344 1.00 7.03 H new ATOM 0 HG LEU A 7 14.934 -4.655 6.368 1.00 7.64 H new ATOM 0 HD11 LEU A 7 16.402 -6.646 6.374 1.00 8.38 H new ATOM 0 HD12 LEU A 7 14.898 -6.919 5.463 1.00 8.38 H new ATOM 0 HD13 LEU A 7 16.422 -6.620 4.595 1.00 8.38 H new ATOM 0 HD21 LEU A 7 17.383 -4.436 6.530 1.00 7.67 H new ATOM 0 HD22 LEU A 7 17.471 -4.265 4.761 1.00 7.67 H new ATOM 0 HD23 LEU A 7 16.628 -3.036 5.732 1.00 7.67 H new ATOM 101 N GLY A 8 13.612 -3.599 1.772 1.00 5.56 N ATOM 102 CA GLY A 8 12.548 -3.356 0.829 1.00 5.28 C ATOM 103 C GLY A 8 11.371 -2.718 1.519 1.00 4.37 C ATOM 104 O GLY A 8 10.910 -1.651 1.117 1.00 4.43 O ATOM 0 H GLY A 8 13.840 -2.802 2.366 1.00 5.56 H new ATOM 0 HA2 GLY A 8 12.904 -2.707 0.029 1.00 5.28 H new ATOM 0 HA3 GLY A 8 12.242 -4.294 0.367 1.00 5.28 H new ATOM 108 N ARG A 9 10.922 -3.357 2.589 1.00 3.85 N ATOM 109 CA ARG A 9 9.818 -2.854 3.391 1.00 3.14 C ATOM 110 C ARG A 9 10.341 -1.718 4.254 1.00 2.98 C ATOM 111 O ARG A 9 11.299 -1.897 5.002 1.00 3.23 O ATOM 112 CB ARG A 9 9.242 -3.974 4.257 1.00 2.97 C ATOM 113 CG ARG A 9 9.166 -5.294 3.501 1.00 3.11 C ATOM 114 CD ARG A 9 8.124 -5.248 2.403 1.00 3.35 C ATOM 115 NE ARG A 9 8.421 -6.174 1.308 1.00 3.78 N ATOM 116 CZ ARG A 9 8.125 -7.474 1.309 1.00 4.27 C ATOM 117 NH1 ARG A 9 7.221 -7.969 2.156 1.00 4.46 N ATOM 118 NH2 ARG A 9 8.528 -8.223 0.293 1.00 4.95 N ATOM 0 H ARG A 9 11.312 -4.237 2.925 1.00 3.85 H new ATOM 0 HA ARG A 9 9.017 -2.489 2.748 1.00 3.14 H new ATOM 0 HB2 ARG A 9 9.860 -4.100 5.146 1.00 2.97 H new ATOM 0 HB3 ARG A 9 8.246 -3.693 4.598 1.00 2.97 H new ATOM 0 HG2 ARG A 9 10.140 -5.523 3.069 1.00 3.11 H new ATOM 0 HG3 ARG A 9 8.928 -6.099 4.196 1.00 3.11 H new ATOM 0 HD2 ARG A 9 7.147 -5.489 2.823 1.00 3.35 H new ATOM 0 HD3 ARG A 9 8.060 -4.234 2.009 1.00 3.35 H new ATOM 0 HE ARG A 9 8.889 -5.797 0.484 1.00 3.78 H new ATOM 0 HH11 ARG A 9 6.746 -7.351 2.814 1.00 4.46 H new ATOM 0 HH12 ARG A 9 7.004 -8.966 2.146 1.00 4.46 H new ATOM 0 HH21 ARG A 9 9.055 -7.803 -0.472 1.00 4.95 H new ATOM 0 HH22 ARG A 9 8.311 -9.219 0.276 1.00 4.95 H new ATOM 132 N ILE A 10 9.763 -0.547 4.107 1.00 2.78 N ATOM 133 CA ILE A 10 10.235 0.600 4.846 1.00 2.70 C ATOM 134 C ILE A 10 9.103 1.396 5.500 1.00 2.20 C ATOM 135 O ILE A 10 9.193 1.736 6.684 1.00 2.49 O ATOM 136 CB ILE A 10 11.069 1.506 3.918 1.00 2.80 C ATOM 137 CG1 ILE A 10 11.575 2.736 4.676 1.00 2.80 C ATOM 138 CG2 ILE A 10 10.268 1.918 2.683 1.00 2.55 C ATOM 139 CD1 ILE A 10 12.564 3.558 3.892 1.00 3.25 C ATOM 0 H ILE A 10 8.973 -0.365 3.488 1.00 2.78 H new ATOM 0 HA ILE A 10 10.858 0.229 5.660 1.00 2.70 H new ATOM 0 HB ILE A 10 11.933 0.935 3.578 1.00 2.80 H new ATOM 0 HG12 ILE A 10 10.725 3.363 4.944 1.00 2.80 H new ATOM 0 HG13 ILE A 10 12.040 2.413 5.608 1.00 2.80 H new ATOM 0 HG21 ILE A 10 10.882 2.556 2.047 1.00 2.55 H new ATOM 0 HG22 ILE A 10 9.973 1.028 2.127 1.00 2.55 H new ATOM 0 HG23 ILE A 10 9.377 2.464 2.993 1.00 2.55 H new ATOM 0 HD11 ILE A 10 12.881 4.413 4.489 1.00 3.25 H new ATOM 0 HD12 ILE A 10 13.432 2.946 3.646 1.00 3.25 H new ATOM 0 HD13 ILE A 10 12.096 3.910 2.973 1.00 3.25 H new ATOM 151 N ILE A 11 8.048 1.710 4.741 1.00 1.98 N ATOM 152 CA ILE A 11 6.937 2.485 5.290 1.00 1.56 C ATOM 153 C ILE A 11 5.996 1.605 6.100 1.00 1.31 C ATOM 154 O ILE A 11 6.098 1.546 7.322 1.00 1.71 O ATOM 155 CB ILE A 11 6.109 3.222 4.207 1.00 1.37 C ATOM 156 CG1 ILE A 11 6.985 4.199 3.427 1.00 1.94 C ATOM 157 CG2 ILE A 11 4.927 3.946 4.849 1.00 1.05 C ATOM 158 CD1 ILE A 11 6.209 5.052 2.448 1.00 2.05 C ATOM 0 H ILE A 11 7.942 1.444 3.762 1.00 1.98 H new ATOM 0 HA ILE A 11 7.401 3.234 5.932 1.00 1.56 H new ATOM 0 HB ILE A 11 5.723 2.484 3.504 1.00 1.37 H new ATOM 0 HG12 ILE A 11 7.506 4.849 4.130 1.00 1.94 H new ATOM 0 HG13 ILE A 11 7.747 3.639 2.885 1.00 1.94 H new ATOM 0 HG21 ILE A 11 4.353 4.460 4.078 1.00 1.05 H new ATOM 0 HG22 ILE A 11 4.288 3.222 5.355 1.00 1.05 H new ATOM 0 HG23 ILE A 11 5.295 4.673 5.573 1.00 1.05 H new ATOM 0 HD11 ILE A 11 6.893 5.723 1.928 1.00 2.05 H new ATOM 0 HD12 ILE A 11 5.709 4.410 1.723 1.00 2.05 H new ATOM 0 HD13 ILE A 11 5.465 5.639 2.987 1.00 2.05 H new ATOM 170 N ARG A 12 5.081 0.923 5.413 1.00 0.96 N ATOM 171 CA ARG A 12 4.109 0.054 6.068 1.00 1.02 C ATOM 172 C ARG A 12 3.864 -1.189 5.219 1.00 0.77 C ATOM 173 O ARG A 12 4.293 -1.249 4.067 1.00 0.91 O ATOM 174 CB ARG A 12 2.793 0.805 6.284 1.00 1.53 C ATOM 175 CG ARG A 12 2.392 0.946 7.749 1.00 2.10 C ATOM 176 CD ARG A 12 3.307 1.884 8.509 1.00 2.67 C ATOM 177 NE ARG A 12 2.900 2.014 9.906 1.00 3.29 N ATOM 178 CZ ARG A 12 3.481 2.834 10.782 1.00 3.98 C ATOM 179 NH1 ARG A 12 4.147 3.890 10.337 1.00 4.30 N ATOM 180 NH2 ARG A 12 3.095 2.805 12.047 1.00 4.72 N ATOM 0 H ARG A 12 4.994 0.957 4.397 1.00 0.96 H new ATOM 0 HA ARG A 12 4.506 -0.250 7.037 1.00 1.02 H new ATOM 0 HB2 ARG A 12 2.877 1.799 5.844 1.00 1.53 H new ATOM 0 HB3 ARG A 12 1.998 0.286 5.749 1.00 1.53 H new ATOM 0 HG2 ARG A 12 1.368 1.314 7.809 1.00 2.10 H new ATOM 0 HG3 ARG A 12 2.407 -0.035 8.223 1.00 2.10 H new ATOM 0 HD2 ARG A 12 4.331 1.514 8.460 1.00 2.67 H new ATOM 0 HD3 ARG A 12 3.300 2.865 8.034 1.00 2.67 H new ATOM 0 HE ARG A 12 2.122 1.441 10.232 1.00 3.29 H new ATOM 0 HH11 ARG A 12 4.211 4.068 9.335 1.00 4.30 H new ATOM 0 HH12 ARG A 12 4.596 4.525 10.997 1.00 4.30 H new ATOM 0 HH21 ARG A 12 2.361 2.161 12.342 1.00 4.72 H new ATOM 0 HH22 ARG A 12 3.531 3.427 12.728 1.00 4.72 H new ATOM 194 N HIS A 13 3.171 -2.176 5.780 1.00 0.70 N ATOM 195 CA HIS A 13 2.857 -3.416 5.083 1.00 0.68 C ATOM 196 C HIS A 13 1.832 -4.233 5.894 1.00 0.74 C ATOM 197 O HIS A 13 2.153 -4.816 6.926 1.00 1.04 O ATOM 198 CB HIS A 13 4.118 -4.255 4.819 1.00 0.93 C ATOM 199 CG HIS A 13 4.860 -4.685 6.047 1.00 1.07 C ATOM 200 ND1 HIS A 13 5.580 -3.825 6.844 1.00 1.69 N ATOM 201 CD2 HIS A 13 4.972 -5.910 6.614 1.00 1.46 C ATOM 202 CE1 HIS A 13 6.111 -4.493 7.848 1.00 1.98 C ATOM 203 NE2 HIS A 13 5.761 -5.766 7.734 1.00 1.80 N ATOM 0 H HIS A 13 2.811 -2.137 6.734 1.00 0.70 H new ATOM 0 HA HIS A 13 2.427 -3.155 4.116 1.00 0.68 H new ATOM 0 HB2 HIS A 13 3.834 -5.143 4.255 1.00 0.93 H new ATOM 0 HB3 HIS A 13 4.794 -3.679 4.187 1.00 0.93 H new ATOM 0 HD2 HIS A 13 4.527 -6.826 6.256 1.00 1.46 H new ATOM 0 HE1 HIS A 13 6.727 -4.074 8.630 1.00 1.98 H new ATOM 0 HE2 HIS A 13 6.031 -6.516 8.371 1.00 1.80 H new ATOM 212 N ASP A 14 0.599 -4.259 5.434 1.00 0.60 N ATOM 213 CA ASP A 14 -0.452 -4.994 6.138 1.00 0.69 C ATOM 214 C ASP A 14 -1.279 -5.826 5.182 1.00 0.61 C ATOM 215 O ASP A 14 -1.230 -5.642 3.965 1.00 0.86 O ATOM 216 CB ASP A 14 -1.367 -4.051 6.929 1.00 0.83 C ATOM 217 CG ASP A 14 -0.858 -3.781 8.336 1.00 1.31 C ATOM 218 OD1 ASP A 14 0.121 -3.011 8.493 1.00 2.03 O ATOM 219 OD2 ASP A 14 -1.417 -4.355 9.293 1.00 1.78 O ATOM 0 H ASP A 14 0.293 -3.787 4.583 1.00 0.60 H new ATOM 0 HA ASP A 14 0.047 -5.661 6.840 1.00 0.69 H new ATOM 0 HB2 ASP A 14 -1.459 -3.106 6.393 1.00 0.83 H new ATOM 0 HB3 ASP A 14 -2.366 -4.484 6.985 1.00 0.83 H new ATOM 224 N ALA A 15 -2.041 -6.751 5.741 1.00 0.75 N ATOM 225 CA ALA A 15 -2.880 -7.626 4.948 1.00 0.71 C ATOM 226 C ALA A 15 -4.305 -7.126 4.911 1.00 0.68 C ATOM 227 O ALA A 15 -4.924 -6.910 5.946 1.00 0.88 O ATOM 228 CB ALA A 15 -2.847 -9.032 5.502 1.00 0.84 C ATOM 0 H ALA A 15 -2.094 -6.914 6.747 1.00 0.75 H new ATOM 0 HA ALA A 15 -2.489 -7.632 3.931 1.00 0.71 H new ATOM 0 HB1 ALA A 15 -3.482 -9.677 4.895 1.00 0.84 H new ATOM 0 HB2 ALA A 15 -1.824 -9.407 5.481 1.00 0.84 H new ATOM 0 HB3 ALA A 15 -3.211 -9.027 6.529 1.00 0.84 H new ATOM 234 N PHE A 16 -4.823 -6.947 3.717 1.00 0.60 N ATOM 235 CA PHE A 16 -6.184 -6.480 3.544 1.00 0.67 C ATOM 236 C PHE A 16 -6.931 -7.425 2.619 1.00 0.68 C ATOM 237 O PHE A 16 -6.367 -8.387 2.113 1.00 1.00 O ATOM 238 CB PHE A 16 -6.200 -5.060 2.954 1.00 0.77 C ATOM 239 CG PHE A 16 -5.436 -4.051 3.760 1.00 1.09 C ATOM 240 CD1 PHE A 16 -5.719 -3.843 5.096 1.00 1.83 C ATOM 241 CD2 PHE A 16 -4.418 -3.318 3.181 1.00 1.74 C ATOM 242 CE1 PHE A 16 -5.006 -2.915 5.833 1.00 2.36 C ATOM 243 CE2 PHE A 16 -3.702 -2.388 3.906 1.00 2.26 C ATOM 244 CZ PHE A 16 -3.995 -2.187 5.242 1.00 2.35 C ATOM 0 H PHE A 16 -4.321 -7.118 2.846 1.00 0.60 H new ATOM 0 HA PHE A 16 -6.672 -6.457 4.519 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -5.786 -5.093 1.946 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -7.234 -4.728 2.863 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -6.506 -4.411 5.570 1.00 1.83 H new ATOM 0 HD2 PHE A 16 -4.178 -3.476 2.140 1.00 1.74 H new ATOM 0 HE1 PHE A 16 -5.242 -2.760 6.875 1.00 2.36 H new ATOM 0 HE2 PHE A 16 -2.916 -1.819 3.432 1.00 2.26 H new ATOM 0 HZ PHE A 16 -3.436 -1.465 5.819 1.00 2.35 H new ATOM 254 N GLN A 17 -8.182 -7.114 2.382 1.00 0.59 N ATOM 255 CA GLN A 17 -9.051 -7.880 1.489 1.00 0.60 C ATOM 256 C GLN A 17 -10.208 -6.963 1.151 1.00 0.64 C ATOM 257 O GLN A 17 -11.345 -7.157 1.572 1.00 0.95 O ATOM 258 CB GLN A 17 -9.529 -9.180 2.150 1.00 0.74 C ATOM 259 CG GLN A 17 -10.405 -10.028 1.244 1.00 1.07 C ATOM 260 CD GLN A 17 -10.714 -11.377 1.833 1.00 1.26 C ATOM 261 OE1 GLN A 17 -11.262 -11.479 2.933 1.00 1.81 O ATOM 262 NE2 GLN A 17 -10.367 -12.432 1.103 1.00 1.63 N ATOM 0 H GLN A 17 -8.643 -6.309 2.806 1.00 0.59 H new ATOM 0 HA GLN A 17 -8.521 -8.191 0.588 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -8.661 -9.764 2.455 1.00 0.74 H new ATOM 0 HB3 GLN A 17 -10.084 -8.936 3.056 1.00 0.74 H new ATOM 0 HG2 GLN A 17 -11.338 -9.499 1.048 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -9.906 -10.161 0.284 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -9.915 -12.300 0.198 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -10.552 -13.374 1.448 1.00 1.63 H new ATOM 271 N VAL A 18 -9.869 -5.900 0.468 1.00 0.51 N ATOM 272 CA VAL A 18 -10.818 -4.867 0.164 1.00 0.59 C ATOM 273 C VAL A 18 -10.841 -4.507 -1.307 1.00 0.60 C ATOM 274 O VAL A 18 -9.806 -4.482 -1.979 1.00 1.04 O ATOM 275 CB VAL A 18 -10.471 -3.643 1.032 1.00 0.83 C ATOM 276 CG1 VAL A 18 -8.963 -3.431 1.039 1.00 0.84 C ATOM 277 CG2 VAL A 18 -11.206 -2.390 0.595 1.00 1.24 C ATOM 0 H VAL A 18 -8.930 -5.729 0.109 1.00 0.51 H new ATOM 0 HA VAL A 18 -11.822 -5.227 0.390 1.00 0.59 H new ATOM 0 HB VAL A 18 -10.807 -3.848 2.048 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -8.720 -2.564 1.654 1.00 0.84 H new ATOM 0 HG12 VAL A 18 -8.473 -4.315 1.448 1.00 0.84 H new ATOM 0 HG13 VAL A 18 -8.615 -3.262 0.020 1.00 0.84 H new ATOM 0 HG21 VAL A 18 -10.924 -1.559 1.241 1.00 1.24 H new ATOM 0 HG22 VAL A 18 -10.942 -2.154 -0.436 1.00 1.24 H new ATOM 0 HG23 VAL A 18 -12.281 -2.556 0.665 1.00 1.24 H new ATOM 287 N TRP A 19 -12.066 -4.285 -1.764 1.00 0.63 N ATOM 288 CA TRP A 19 -12.429 -3.943 -3.143 1.00 0.65 C ATOM 289 C TRP A 19 -11.323 -3.246 -3.937 1.00 0.68 C ATOM 290 O TRP A 19 -10.778 -2.218 -3.526 1.00 1.04 O ATOM 291 CB TRP A 19 -13.653 -3.040 -3.083 1.00 0.72 C ATOM 292 CG TRP A 19 -14.721 -3.564 -2.151 1.00 0.75 C ATOM 293 CD1 TRP A 19 -15.650 -4.520 -2.430 1.00 0.83 C ATOM 294 CD2 TRP A 19 -14.918 -3.204 -0.776 1.00 0.78 C ATOM 295 NE1 TRP A 19 -16.463 -4.717 -1.351 1.00 0.90 N ATOM 296 CE2 TRP A 19 -16.025 -3.932 -0.314 1.00 0.87 C ATOM 297 CE3 TRP A 19 -14.291 -2.315 0.106 1.00 0.79 C ATOM 298 CZ2 TRP A 19 -16.508 -3.809 0.985 1.00 0.95 C ATOM 299 CZ3 TRP A 19 -14.757 -2.201 1.395 1.00 0.89 C ATOM 300 CH2 TRP A 19 -15.863 -2.939 1.825 1.00 0.96 C ATOM 0 H TRP A 19 -12.881 -4.340 -1.154 1.00 0.63 H new ATOM 0 HA TRP A 19 -12.620 -4.877 -3.671 1.00 0.65 H new ATOM 0 HB2 TRP A 19 -13.349 -2.045 -2.758 1.00 0.72 H new ATOM 0 HB3 TRP A 19 -14.071 -2.934 -4.084 1.00 0.72 H new ATOM 0 HD1 TRP A 19 -15.732 -5.046 -3.369 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -17.266 -5.346 -1.321 1.00 0.90 H new ATOM 0 HE3 TRP A 19 -13.449 -1.724 -0.223 1.00 0.79 H new ATOM 0 HZ2 TRP A 19 -17.362 -4.379 1.320 1.00 0.95 H new ATOM 0 HZ3 TRP A 19 -14.262 -1.533 2.084 1.00 0.89 H new ATOM 0 HH2 TRP A 19 -16.216 -2.822 2.839 1.00 0.96 H new ATOM 311 N GLU A 20 -11.015 -3.809 -5.103 1.00 0.69 N ATOM 312 CA GLU A 20 -9.997 -3.263 -5.979 1.00 0.77 C ATOM 313 C GLU A 20 -10.558 -2.146 -6.861 1.00 1.18 C ATOM 314 O GLU A 20 -10.004 -1.807 -7.904 1.00 1.81 O ATOM 315 CB GLU A 20 -9.381 -4.363 -6.847 1.00 1.04 C ATOM 316 CG GLU A 20 -7.973 -4.035 -7.303 1.00 1.26 C ATOM 317 CD GLU A 20 -7.321 -5.180 -8.037 1.00 1.90 C ATOM 318 OE1 GLU A 20 -7.739 -5.484 -9.177 1.00 2.42 O ATOM 319 OE2 GLU A 20 -6.409 -5.796 -7.459 1.00 2.62 O ATOM 0 H GLU A 20 -11.465 -4.652 -5.460 1.00 0.69 H new ATOM 0 HA GLU A 20 -9.217 -2.836 -5.348 1.00 0.77 H new ATOM 0 HB2 GLU A 20 -9.367 -5.297 -6.285 1.00 1.04 H new ATOM 0 HB3 GLU A 20 -10.012 -4.526 -7.721 1.00 1.04 H new ATOM 0 HG2 GLU A 20 -8.000 -3.160 -7.952 1.00 1.26 H new ATOM 0 HG3 GLU A 20 -7.366 -3.771 -6.437 1.00 1.26 H new ATOM 326 N GLY A 21 -11.654 -1.581 -6.415 1.00 1.49 N ATOM 327 CA GLY A 21 -12.285 -0.492 -7.138 1.00 1.95 C ATOM 328 C GLY A 21 -13.678 -0.803 -7.587 1.00 2.05 C ATOM 329 O GLY A 21 -14.640 -0.356 -6.960 1.00 2.48 O ATOM 0 H GLY A 21 -12.131 -1.854 -5.556 1.00 1.49 H new ATOM 0 HA2 GLY A 21 -12.306 0.393 -6.501 1.00 1.95 H new ATOM 0 HA3 GLY A 21 -11.678 -0.244 -8.009 1.00 1.95 H new ATOM 333 N ASP A 22 -13.808 -1.556 -8.674 1.00 2.34 N ATOM 334 CA ASP A 22 -15.126 -1.907 -9.200 1.00 2.75 C ATOM 335 C ASP A 22 -15.751 -3.004 -8.347 1.00 2.43 C ATOM 336 O ASP A 22 -16.085 -4.078 -8.842 1.00 2.85 O ATOM 337 CB ASP A 22 -15.030 -2.367 -10.659 1.00 3.62 C ATOM 338 CG ASP A 22 -16.385 -2.413 -11.342 1.00 4.19 C ATOM 339 OD1 ASP A 22 -17.072 -1.364 -11.383 1.00 4.65 O ATOM 340 OD2 ASP A 22 -16.761 -3.483 -11.852 1.00 4.60 O ATOM 0 H ASP A 22 -13.024 -1.934 -9.206 1.00 2.34 H new ATOM 0 HA ASP A 22 -15.757 -1.019 -9.163 1.00 2.75 H new ATOM 0 HB2 ASP A 22 -14.373 -1.692 -11.207 1.00 3.62 H new ATOM 0 HB3 ASP A 22 -14.574 -3.356 -10.696 1.00 3.62 H new ATOM 345 N GLU A 23 -15.881 -2.717 -7.050 1.00 2.07 N ATOM 346 CA GLU A 23 -16.444 -3.627 -6.039 1.00 2.37 C ATOM 347 C GLU A 23 -15.929 -5.082 -6.074 1.00 1.70 C ATOM 348 O GLU A 23 -16.691 -5.993 -5.788 1.00 1.86 O ATOM 349 CB GLU A 23 -17.985 -3.599 -6.076 1.00 3.34 C ATOM 350 CG GLU A 23 -18.615 -4.206 -7.309 1.00 4.22 C ATOM 351 CD GLU A 23 -20.095 -4.466 -7.132 1.00 5.12 C ATOM 352 OE1 GLU A 23 -20.872 -3.490 -7.009 1.00 5.78 O ATOM 353 OE2 GLU A 23 -20.488 -5.648 -7.105 1.00 5.52 O ATOM 0 H GLU A 23 -15.591 -1.821 -6.659 1.00 2.07 H new ATOM 0 HA GLU A 23 -16.078 -3.232 -5.092 1.00 2.37 H new ATOM 0 HB2 GLU A 23 -18.362 -4.125 -5.199 1.00 3.34 H new ATOM 0 HB3 GLU A 23 -18.315 -2.563 -5.992 1.00 3.34 H new ATOM 0 HG2 GLU A 23 -18.465 -3.538 -8.157 1.00 4.22 H new ATOM 0 HG3 GLU A 23 -18.110 -5.142 -7.548 1.00 4.22 H new ATOM 360 N PRO A 24 -14.636 -5.346 -6.381 1.00 1.42 N ATOM 361 CA PRO A 24 -14.073 -6.677 -6.399 1.00 1.17 C ATOM 362 C PRO A 24 -13.162 -6.879 -5.174 1.00 0.97 C ATOM 363 O PRO A 24 -11.976 -6.560 -5.227 1.00 1.08 O ATOM 364 CB PRO A 24 -13.246 -6.616 -7.688 1.00 1.65 C ATOM 365 CG PRO A 24 -12.821 -5.175 -7.802 1.00 2.09 C ATOM 366 CD PRO A 24 -13.573 -4.413 -6.721 1.00 2.00 C ATOM 0 HA PRO A 24 -14.799 -7.489 -6.367 1.00 1.17 H new ATOM 0 HB2 PRO A 24 -12.383 -7.280 -7.637 1.00 1.65 H new ATOM 0 HB3 PRO A 24 -13.835 -6.925 -8.552 1.00 1.65 H new ATOM 0 HG2 PRO A 24 -11.744 -5.077 -7.667 1.00 2.09 H new ATOM 0 HG3 PRO A 24 -13.056 -4.779 -8.790 1.00 2.09 H new ATOM 0 HD2 PRO A 24 -12.938 -4.187 -5.864 1.00 2.00 H new ATOM 0 HD3 PRO A 24 -13.964 -3.464 -7.087 1.00 2.00 H new ATOM 374 N PRO A 25 -13.694 -7.363 -4.039 1.00 0.88 N ATOM 375 CA PRO A 25 -12.897 -7.541 -2.826 1.00 0.77 C ATOM 376 C PRO A 25 -11.876 -8.646 -2.979 1.00 0.74 C ATOM 377 O PRO A 25 -12.216 -9.786 -3.292 1.00 0.92 O ATOM 378 CB PRO A 25 -13.915 -7.886 -1.755 1.00 0.92 C ATOM 379 CG PRO A 25 -15.084 -8.440 -2.491 1.00 1.08 C ATOM 380 CD PRO A 25 -15.104 -7.751 -3.832 1.00 1.09 C ATOM 0 HA PRO A 25 -12.320 -6.648 -2.586 1.00 0.77 H new ATOM 0 HB2 PRO A 25 -13.513 -8.613 -1.050 1.00 0.92 H new ATOM 0 HB3 PRO A 25 -14.195 -7.004 -1.179 1.00 0.92 H new ATOM 0 HG2 PRO A 25 -14.993 -9.520 -2.610 1.00 1.08 H new ATOM 0 HG3 PRO A 25 -16.010 -8.256 -1.946 1.00 1.08 H new ATOM 0 HD2 PRO A 25 -15.458 -8.416 -4.620 1.00 1.09 H new ATOM 0 HD3 PRO A 25 -15.763 -6.883 -3.828 1.00 1.09 H new ATOM 388 N LYS A 26 -10.621 -8.286 -2.796 1.00 0.65 N ATOM 389 CA LYS A 26 -9.526 -9.228 -2.954 1.00 0.73 C ATOM 390 C LYS A 26 -8.499 -9.080 -1.856 1.00 0.66 C ATOM 391 O LYS A 26 -8.093 -7.969 -1.522 1.00 0.88 O ATOM 392 CB LYS A 26 -8.834 -8.988 -4.296 1.00 0.95 C ATOM 393 CG LYS A 26 -9.701 -9.269 -5.515 1.00 1.34 C ATOM 394 CD LYS A 26 -9.061 -8.727 -6.776 1.00 1.42 C ATOM 395 CE LYS A 26 -9.593 -9.413 -8.009 1.00 1.61 C ATOM 396 NZ LYS A 26 -9.269 -10.864 -8.030 1.00 2.20 N ATOM 0 H LYS A 26 -10.331 -7.343 -2.536 1.00 0.65 H new ATOM 0 HA LYS A 26 -9.947 -10.232 -2.907 1.00 0.73 H new ATOM 0 HB2 LYS A 26 -8.498 -7.952 -4.336 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -7.943 -9.614 -4.348 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -9.856 -10.343 -5.615 1.00 1.34 H new ATOM 0 HG3 LYS A 26 -10.683 -8.817 -5.379 1.00 1.34 H new ATOM 0 HD2 LYS A 26 -9.247 -7.655 -6.847 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -7.981 -8.861 -6.722 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -10.674 -9.283 -8.057 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -9.176 -8.937 -8.896 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -9.323 -11.218 -9.006 1.00 2.20 H new ATOM 0 HZ2 LYS A 26 -8.307 -11.010 -7.662 1.00 2.20 H new ATOM 0 HZ3 LYS A 26 -9.949 -11.380 -7.437 1.00 2.20 H new ATOM 410 N LEU A 27 -8.067 -10.210 -1.318 1.00 0.67 N ATOM 411 CA LEU A 27 -7.055 -10.234 -0.285 1.00 0.65 C ATOM 412 C LEU A 27 -5.726 -9.797 -0.897 1.00 0.67 C ATOM 413 O LEU A 27 -5.290 -10.349 -1.916 1.00 1.02 O ATOM 414 CB LEU A 27 -6.968 -11.657 0.298 1.00 0.76 C ATOM 415 CG LEU A 27 -6.222 -11.797 1.626 1.00 0.93 C ATOM 416 CD1 LEU A 27 -6.605 -13.103 2.318 1.00 1.23 C ATOM 417 CD2 LEU A 27 -4.718 -11.767 1.391 1.00 1.31 C ATOM 0 H LEU A 27 -8.410 -11.132 -1.588 1.00 0.67 H new ATOM 0 HA LEU A 27 -7.305 -9.550 0.526 1.00 0.65 H new ATOM 0 HB2 LEU A 27 -7.981 -12.035 0.433 1.00 0.76 H new ATOM 0 HB3 LEU A 27 -6.483 -12.300 -0.437 1.00 0.76 H new ATOM 0 HG LEU A 27 -6.502 -10.960 2.266 1.00 0.93 H new ATOM 0 HD11 LEU A 27 -6.065 -13.187 3.261 1.00 1.23 H new ATOM 0 HD12 LEU A 27 -7.678 -13.111 2.512 1.00 1.23 H new ATOM 0 HD13 LEU A 27 -6.346 -13.945 1.676 1.00 1.23 H new ATOM 0 HD21 LEU A 27 -4.199 -11.868 2.344 1.00 1.31 H new ATOM 0 HD22 LEU A 27 -4.436 -12.591 0.735 1.00 1.31 H new ATOM 0 HD23 LEU A 27 -4.441 -10.821 0.925 1.00 1.31 H new ATOM 429 N ARG A 28 -5.086 -8.806 -0.303 1.00 0.57 N ATOM 430 CA ARG A 28 -3.822 -8.297 -0.810 1.00 0.59 C ATOM 431 C ARG A 28 -2.906 -7.845 0.319 1.00 0.55 C ATOM 432 O ARG A 28 -3.342 -7.167 1.260 1.00 0.64 O ATOM 433 CB ARG A 28 -4.045 -7.102 -1.741 1.00 0.71 C ATOM 434 CG ARG A 28 -4.534 -7.471 -3.126 1.00 1.41 C ATOM 435 CD ARG A 28 -4.487 -6.279 -4.055 1.00 1.72 C ATOM 436 NE ARG A 28 -5.481 -5.251 -3.714 1.00 1.97 N ATOM 437 CZ ARG A 28 -6.782 -5.372 -3.964 1.00 2.42 C ATOM 438 NH1 ARG A 28 -7.170 -6.222 -4.898 1.00 2.77 N ATOM 439 NH2 ARG A 28 -7.600 -4.384 -3.610 1.00 3.18 N ATOM 0 H ARG A 28 -5.423 -8.334 0.536 1.00 0.57 H new ATOM 0 HA ARG A 28 -3.355 -9.118 -1.354 1.00 0.59 H new ATOM 0 HB2 ARG A 28 -4.768 -6.429 -1.281 1.00 0.71 H new ATOM 0 HB3 ARG A 28 -3.110 -6.550 -1.834 1.00 0.71 H new ATOM 0 HG2 ARG A 28 -3.919 -8.275 -3.530 1.00 1.41 H new ATOM 0 HG3 ARG A 28 -5.554 -7.849 -3.066 1.00 1.41 H new ATOM 0 HD2 ARG A 28 -3.490 -5.839 -4.023 1.00 1.72 H new ATOM 0 HD3 ARG A 28 -4.655 -6.615 -5.078 1.00 1.72 H new ATOM 0 HE ARG A 28 -5.155 -4.397 -3.260 1.00 1.97 H new ATOM 0 HH11 ARG A 28 -6.477 -6.768 -5.410 1.00 2.77 H new ATOM 0 HH12 ARG A 28 -8.162 -6.332 -5.107 1.00 2.77 H new ATOM 0 HH21 ARG A 28 -7.227 -3.551 -3.155 1.00 3.18 H new ATOM 0 HH22 ARG A 28 -8.600 -4.460 -3.794 1.00 3.18 H new ATOM 453 N TYR A 29 -1.629 -8.176 0.198 1.00 0.55 N ATOM 454 CA TYR A 29 -0.627 -7.753 1.161 1.00 0.59 C ATOM 455 C TYR A 29 -0.011 -6.454 0.664 1.00 0.55 C ATOM 456 O TYR A 29 0.949 -6.451 -0.117 1.00 0.70 O ATOM 457 CB TYR A 29 0.449 -8.831 1.368 1.00 0.71 C ATOM 458 CG TYR A 29 0.016 -9.991 2.256 1.00 0.77 C ATOM 459 CD1 TYR A 29 -1.320 -10.198 2.588 1.00 1.46 C ATOM 460 CD2 TYR A 29 0.951 -10.885 2.760 1.00 1.38 C ATOM 461 CE1 TYR A 29 -1.706 -11.261 3.390 1.00 1.63 C ATOM 462 CE2 TYR A 29 0.575 -11.952 3.565 1.00 1.55 C ATOM 463 CZ TYR A 29 -0.751 -12.131 3.878 1.00 1.26 C ATOM 464 OH TYR A 29 -1.126 -13.188 4.687 1.00 1.58 O ATOM 0 H TYR A 29 -1.261 -8.742 -0.566 1.00 0.55 H new ATOM 0 HA TYR A 29 -1.098 -7.596 2.131 1.00 0.59 H new ATOM 0 HB2 TYR A 29 0.743 -9.225 0.395 1.00 0.71 H new ATOM 0 HB3 TYR A 29 1.333 -8.366 1.804 1.00 0.71 H new ATOM 0 HD1 TYR A 29 -2.070 -9.517 2.214 1.00 1.46 H new ATOM 0 HD2 TYR A 29 1.995 -10.747 2.520 1.00 1.38 H new ATOM 0 HE1 TYR A 29 -2.748 -11.408 3.632 1.00 1.63 H new ATOM 0 HE2 TYR A 29 1.320 -12.637 3.943 1.00 1.55 H new ATOM 0 HH TYR A 29 -0.332 -13.703 4.942 1.00 1.58 H new ATOM 474 N VAL A 30 -0.622 -5.356 1.074 1.00 0.48 N ATOM 475 CA VAL A 30 -0.198 -4.023 0.665 1.00 0.48 C ATOM 476 C VAL A 30 1.080 -3.604 1.373 1.00 0.49 C ATOM 477 O VAL A 30 1.088 -3.407 2.589 1.00 0.59 O ATOM 478 CB VAL A 30 -1.303 -2.979 0.946 1.00 0.54 C ATOM 479 CG1 VAL A 30 -0.864 -1.561 0.578 1.00 0.60 C ATOM 480 CG2 VAL A 30 -2.578 -3.346 0.195 1.00 0.65 C ATOM 0 H VAL A 30 -1.427 -5.361 1.700 1.00 0.48 H new ATOM 0 HA VAL A 30 -0.008 -4.065 -0.407 1.00 0.48 H new ATOM 0 HB VAL A 30 -1.497 -2.992 2.019 1.00 0.54 H new ATOM 0 HG11 VAL A 30 -1.673 -0.862 0.793 1.00 0.60 H new ATOM 0 HG12 VAL A 30 0.015 -1.289 1.162 1.00 0.60 H new ATOM 0 HG13 VAL A 30 -0.621 -1.519 -0.484 1.00 0.60 H new ATOM 0 HG21 VAL A 30 -3.348 -2.603 0.401 1.00 0.65 H new ATOM 0 HG22 VAL A 30 -2.375 -3.371 -0.876 1.00 0.65 H new ATOM 0 HG23 VAL A 30 -2.923 -4.327 0.522 1.00 0.65 H new ATOM 490 N PHE A 31 2.148 -3.453 0.604 1.00 0.49 N ATOM 491 CA PHE A 31 3.425 -3.034 1.157 1.00 0.54 C ATOM 492 C PHE A 31 3.762 -1.650 0.616 1.00 0.52 C ATOM 493 O PHE A 31 3.845 -1.466 -0.601 1.00 0.56 O ATOM 494 CB PHE A 31 4.559 -3.979 0.756 1.00 0.61 C ATOM 495 CG PHE A 31 4.260 -5.445 0.905 1.00 0.61 C ATOM 496 CD1 PHE A 31 4.143 -6.055 2.150 1.00 1.22 C ATOM 497 CD2 PHE A 31 4.126 -6.222 -0.233 1.00 1.44 C ATOM 498 CE1 PHE A 31 3.884 -7.410 2.245 1.00 1.30 C ATOM 499 CE2 PHE A 31 3.865 -7.571 -0.143 1.00 1.49 C ATOM 500 CZ PHE A 31 3.754 -8.169 1.095 1.00 0.85 C ATOM 0 H PHE A 31 2.155 -3.614 -0.403 1.00 0.49 H new ATOM 0 HA PHE A 31 3.334 -3.036 2.243 1.00 0.54 H new ATOM 0 HB2 PHE A 31 4.822 -3.783 -0.283 1.00 0.61 H new ATOM 0 HB3 PHE A 31 5.437 -3.742 1.357 1.00 0.61 H new ATOM 0 HD1 PHE A 31 4.255 -5.466 3.048 1.00 1.22 H new ATOM 0 HD2 PHE A 31 4.228 -5.763 -1.205 1.00 1.44 H new ATOM 0 HE1 PHE A 31 3.783 -7.875 3.215 1.00 1.30 H new ATOM 0 HE2 PHE A 31 3.747 -8.160 -1.041 1.00 1.49 H new ATOM 0 HZ PHE A 31 3.566 -9.230 1.167 1.00 0.85 H new ATOM 510 N LEU A 32 3.991 -0.688 1.478 1.00 0.57 N ATOM 511 CA LEU A 32 4.357 0.637 0.987 1.00 0.59 C ATOM 512 C LEU A 32 5.869 0.822 1.065 1.00 0.67 C ATOM 513 O LEU A 32 6.470 0.658 2.131 1.00 0.84 O ATOM 514 CB LEU A 32 3.691 1.783 1.756 1.00 0.74 C ATOM 515 CG LEU A 32 2.273 1.539 2.286 1.00 0.98 C ATOM 516 CD1 LEU A 32 1.803 2.754 3.077 1.00 1.10 C ATOM 517 CD2 LEU A 32 1.328 1.220 1.140 1.00 1.43 C ATOM 0 H LEU A 32 3.936 -0.782 2.492 1.00 0.57 H new ATOM 0 HA LEU A 32 4.003 0.682 -0.043 1.00 0.59 H new ATOM 0 HB2 LEU A 32 4.329 2.038 2.602 1.00 0.74 H new ATOM 0 HB3 LEU A 32 3.663 2.656 1.104 1.00 0.74 H new ATOM 0 HG LEU A 32 2.279 0.679 2.956 1.00 0.98 H new ATOM 0 HD11 LEU A 32 0.795 2.576 3.452 1.00 1.10 H new ATOM 0 HD12 LEU A 32 2.477 2.925 3.916 1.00 1.10 H new ATOM 0 HD13 LEU A 32 1.800 3.631 2.429 1.00 1.10 H new ATOM 0 HD21 LEU A 32 0.325 1.049 1.532 1.00 1.43 H new ATOM 0 HD22 LEU A 32 1.307 2.057 0.442 1.00 1.43 H new ATOM 0 HD23 LEU A 32 1.673 0.325 0.623 1.00 1.43 H new ATOM 529 N PHE A 33 6.469 1.161 -0.052 1.00 0.75 N ATOM 530 CA PHE A 33 7.904 1.386 -0.108 1.00 0.96 C ATOM 531 C PHE A 33 8.165 2.877 -0.252 1.00 1.08 C ATOM 532 O PHE A 33 7.224 3.663 -0.281 1.00 1.56 O ATOM 533 CB PHE A 33 8.518 0.635 -1.297 1.00 1.17 C ATOM 534 CG PHE A 33 8.392 -0.856 -1.228 1.00 1.36 C ATOM 535 CD1 PHE A 33 8.016 -1.489 -0.050 1.00 2.01 C ATOM 536 CD2 PHE A 33 8.685 -1.635 -2.339 1.00 1.79 C ATOM 537 CE1 PHE A 33 7.918 -2.866 0.016 1.00 2.28 C ATOM 538 CE2 PHE A 33 8.593 -3.012 -2.272 1.00 2.06 C ATOM 539 CZ PHE A 33 8.210 -3.625 -1.098 1.00 2.01 C ATOM 0 H PHE A 33 5.987 1.289 -0.942 1.00 0.75 H new ATOM 0 HA PHE A 33 8.362 1.015 0.809 1.00 0.96 H new ATOM 0 HB2 PHE A 33 8.043 0.984 -2.214 1.00 1.17 H new ATOM 0 HB3 PHE A 33 9.575 0.894 -1.366 1.00 1.17 H new ATOM 0 HD1 PHE A 33 7.797 -0.897 0.826 1.00 2.01 H new ATOM 0 HD2 PHE A 33 8.987 -1.162 -3.262 1.00 1.79 H new ATOM 0 HE1 PHE A 33 7.614 -3.345 0.935 1.00 2.28 H new ATOM 0 HE2 PHE A 33 8.822 -3.610 -3.142 1.00 2.06 H new ATOM 0 HZ PHE A 33 8.138 -4.702 -1.051 1.00 2.01 H new ATOM 549 N ARG A 34 9.431 3.282 -0.323 1.00 1.04 N ATOM 550 CA ARG A 34 9.749 4.710 -0.431 1.00 1.17 C ATOM 551 C ARG A 34 9.544 5.265 -1.843 1.00 1.03 C ATOM 552 O ARG A 34 9.541 6.478 -2.047 1.00 1.87 O ATOM 553 CB ARG A 34 11.173 4.975 0.062 1.00 1.83 C ATOM 554 CG ARG A 34 12.268 4.141 -0.597 1.00 2.51 C ATOM 555 CD ARG A 34 12.516 4.532 -2.040 1.00 3.05 C ATOM 556 NE ARG A 34 13.723 3.909 -2.581 1.00 3.66 N ATOM 557 CZ ARG A 34 14.969 4.285 -2.284 1.00 4.29 C ATOM 558 NH1 ARG A 34 15.198 5.377 -1.558 1.00 4.48 N ATOM 559 NH2 ARG A 34 15.987 3.639 -2.830 1.00 5.12 N ATOM 0 H ARG A 34 10.239 2.660 -0.308 1.00 1.04 H new ATOM 0 HA ARG A 34 9.044 5.242 0.209 1.00 1.17 H new ATOM 0 HB2 ARG A 34 11.401 6.029 -0.094 1.00 1.83 H new ATOM 0 HB3 ARG A 34 11.204 4.798 1.137 1.00 1.83 H new ATOM 0 HG2 ARG A 34 13.193 4.252 -0.031 1.00 2.51 H new ATOM 0 HG3 ARG A 34 11.992 3.087 -0.553 1.00 2.51 H new ATOM 0 HD2 ARG A 34 11.657 4.243 -2.646 1.00 3.05 H new ATOM 0 HD3 ARG A 34 12.606 5.616 -2.111 1.00 3.05 H new ATOM 0 HE ARG A 34 13.605 3.132 -3.231 1.00 3.66 H new ATOM 0 HH11 ARG A 34 14.416 5.939 -1.221 1.00 4.48 H new ATOM 0 HH12 ARG A 34 16.155 5.652 -1.339 1.00 4.48 H new ATOM 0 HH21 ARG A 34 15.815 2.863 -3.470 1.00 5.12 H new ATOM 0 HH22 ARG A 34 16.944 3.917 -2.611 1.00 5.12 H new ATOM 573 N ASN A 35 9.401 4.382 -2.814 1.00 0.98 N ATOM 574 CA ASN A 35 9.223 4.804 -4.201 1.00 1.38 C ATOM 575 C ASN A 35 7.797 4.535 -4.706 1.00 1.09 C ATOM 576 O ASN A 35 7.286 5.263 -5.568 1.00 1.24 O ATOM 577 CB ASN A 35 10.248 4.109 -5.111 1.00 2.08 C ATOM 578 CG ASN A 35 10.143 2.596 -5.063 1.00 2.84 C ATOM 579 OD1 ASN A 35 10.315 1.990 -4.005 1.00 3.26 O ATOM 580 ND2 ASN A 35 9.850 1.984 -6.199 1.00 3.64 N ATOM 0 H ASN A 35 9.404 3.372 -2.674 1.00 0.98 H new ATOM 0 HA ASN A 35 9.387 5.881 -4.235 1.00 1.38 H new ATOM 0 HB2 ASN A 35 10.104 4.447 -6.137 1.00 2.08 H new ATOM 0 HB3 ASN A 35 11.253 4.409 -4.815 1.00 2.08 H new ATOM 0 HD21 ASN A 35 9.758 0.968 -6.222 1.00 3.64 H new ATOM 0 HD22 ASN A 35 9.716 2.528 -7.051 1.00 3.64 H new ATOM 587 N LYS A 36 7.146 3.503 -4.178 1.00 0.89 N ATOM 588 CA LYS A 36 5.792 3.180 -4.597 1.00 0.69 C ATOM 589 C LYS A 36 5.122 2.250 -3.618 1.00 0.66 C ATOM 590 O LYS A 36 5.754 1.762 -2.684 1.00 0.77 O ATOM 591 CB LYS A 36 5.779 2.565 -6.002 1.00 0.80 C ATOM 592 CG LYS A 36 6.715 1.380 -6.182 1.00 1.05 C ATOM 593 CD LYS A 36 6.128 0.089 -5.634 1.00 1.32 C ATOM 594 CE LYS A 36 7.035 -1.103 -5.889 1.00 1.84 C ATOM 595 NZ LYS A 36 7.000 -1.523 -7.309 1.00 2.23 N ATOM 0 H LYS A 36 7.532 2.883 -3.466 1.00 0.89 H new ATOM 0 HA LYS A 36 5.230 4.114 -4.622 1.00 0.69 H new ATOM 0 HB2 LYS A 36 4.763 2.248 -6.236 1.00 0.80 H new ATOM 0 HB3 LYS A 36 6.047 3.336 -6.725 1.00 0.80 H new ATOM 0 HG2 LYS A 36 6.937 1.254 -7.242 1.00 1.05 H new ATOM 0 HG3 LYS A 36 7.660 1.588 -5.681 1.00 1.05 H new ATOM 0 HD2 LYS A 36 5.960 0.194 -4.562 1.00 1.32 H new ATOM 0 HD3 LYS A 36 5.156 -0.091 -6.093 1.00 1.32 H new ATOM 0 HE2 LYS A 36 8.057 -0.849 -5.610 1.00 1.84 H new ATOM 0 HE3 LYS A 36 6.729 -1.935 -5.255 1.00 1.84 H new ATOM 0 HZ1 LYS A 36 7.447 -2.457 -7.406 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 6.013 -1.577 -7.631 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 7.516 -0.831 -7.889 1.00 2.23 H new ATOM 609 N ILE A 37 3.856 1.985 -3.873 1.00 0.61 N ATOM 610 CA ILE A 37 3.061 1.086 -3.059 1.00 0.60 C ATOM 611 C ILE A 37 2.929 -0.246 -3.796 1.00 0.54 C ATOM 612 O ILE A 37 2.255 -0.323 -4.831 1.00 0.75 O ATOM 613 CB ILE A 37 1.641 1.665 -2.801 1.00 0.73 C ATOM 614 CG1 ILE A 37 1.710 2.933 -1.932 1.00 0.85 C ATOM 615 CG2 ILE A 37 0.733 0.613 -2.166 1.00 0.79 C ATOM 616 CD1 ILE A 37 0.362 3.602 -1.713 1.00 1.01 C ATOM 0 H ILE A 37 3.346 2.391 -4.657 1.00 0.61 H new ATOM 0 HA ILE A 37 3.556 0.954 -2.097 1.00 0.60 H new ATOM 0 HB ILE A 37 1.211 1.945 -3.763 1.00 0.73 H new ATOM 0 HG12 ILE A 37 2.139 2.675 -0.964 1.00 0.85 H new ATOM 0 HG13 ILE A 37 2.387 3.647 -2.401 1.00 0.85 H new ATOM 0 HG21 ILE A 37 -0.255 1.041 -1.995 1.00 0.79 H new ATOM 0 HG22 ILE A 37 0.647 -0.244 -2.834 1.00 0.79 H new ATOM 0 HG23 ILE A 37 1.159 0.291 -1.216 1.00 0.79 H new ATOM 0 HD11 ILE A 37 0.492 4.488 -1.092 1.00 1.01 H new ATOM 0 HD12 ILE A 37 -0.061 3.892 -2.675 1.00 1.01 H new ATOM 0 HD13 ILE A 37 -0.313 2.906 -1.215 1.00 1.01 H new ATOM 628 N MET A 38 3.575 -1.287 -3.284 1.00 0.51 N ATOM 629 CA MET A 38 3.525 -2.608 -3.908 1.00 0.59 C ATOM 630 C MET A 38 2.549 -3.526 -3.164 1.00 0.60 C ATOM 631 O MET A 38 2.863 -4.041 -2.096 1.00 0.98 O ATOM 632 CB MET A 38 4.921 -3.226 -3.926 1.00 0.75 C ATOM 633 CG MET A 38 4.992 -4.582 -4.597 1.00 1.40 C ATOM 634 SD MET A 38 6.672 -5.222 -4.617 1.00 1.72 S ATOM 635 CE MET A 38 6.438 -6.779 -5.463 1.00 2.53 C ATOM 0 H MET A 38 4.141 -1.244 -2.437 1.00 0.51 H new ATOM 0 HA MET A 38 3.170 -2.494 -4.932 1.00 0.59 H new ATOM 0 HB2 MET A 38 5.601 -2.544 -4.437 1.00 0.75 H new ATOM 0 HB3 MET A 38 5.277 -3.322 -2.900 1.00 0.75 H new ATOM 0 HG2 MET A 38 4.341 -5.282 -4.073 1.00 1.40 H new ATOM 0 HG3 MET A 38 4.620 -4.503 -5.618 1.00 1.40 H new ATOM 0 HE1 MET A 38 7.395 -7.293 -5.551 1.00 2.53 H new ATOM 0 HE2 MET A 38 5.744 -7.400 -4.897 1.00 2.53 H new ATOM 0 HE3 MET A 38 6.032 -6.595 -6.458 1.00 2.53 H new ATOM 645 N PHE A 39 1.364 -3.714 -3.721 1.00 0.61 N ATOM 646 CA PHE A 39 0.354 -4.567 -3.087 1.00 0.71 C ATOM 647 C PHE A 39 0.130 -5.849 -3.880 1.00 0.72 C ATOM 648 O PHE A 39 -0.440 -5.832 -4.961 1.00 1.08 O ATOM 649 CB PHE A 39 -0.965 -3.792 -2.862 1.00 1.11 C ATOM 650 CG PHE A 39 -1.522 -3.090 -4.081 1.00 0.58 C ATOM 651 CD1 PHE A 39 -0.883 -1.979 -4.628 1.00 1.31 C ATOM 652 CD2 PHE A 39 -2.694 -3.527 -4.664 1.00 1.32 C ATOM 653 CE1 PHE A 39 -1.404 -1.341 -5.736 1.00 1.69 C ATOM 654 CE2 PHE A 39 -3.214 -2.892 -5.770 1.00 1.66 C ATOM 655 CZ PHE A 39 -2.571 -1.796 -6.305 1.00 1.57 C ATOM 0 H PHE A 39 1.073 -3.294 -4.604 1.00 0.61 H new ATOM 0 HA PHE A 39 0.732 -4.860 -2.107 1.00 0.71 H new ATOM 0 HB2 PHE A 39 -1.717 -4.488 -2.490 1.00 1.11 H new ATOM 0 HB3 PHE A 39 -0.802 -3.051 -2.080 1.00 1.11 H new ATOM 0 HD1 PHE A 39 0.029 -1.613 -4.181 1.00 1.31 H new ATOM 0 HD2 PHE A 39 -3.211 -4.379 -4.247 1.00 1.32 H new ATOM 0 HE1 PHE A 39 -0.896 -0.485 -6.156 1.00 1.69 H new ATOM 0 HE2 PHE A 39 -4.127 -3.253 -6.219 1.00 1.66 H new ATOM 0 HZ PHE A 39 -2.983 -1.296 -7.169 1.00 1.57 H new ATOM 665 N THR A 40 0.592 -6.951 -3.321 1.00 0.63 N ATOM 666 CA THR A 40 0.465 -8.247 -3.971 1.00 0.74 C ATOM 667 C THR A 40 -0.853 -8.927 -3.591 1.00 0.84 C ATOM 668 O THR A 40 -1.199 -8.999 -2.411 1.00 1.16 O ATOM 669 CB THR A 40 1.666 -9.111 -3.596 1.00 0.98 C ATOM 670 OG1 THR A 40 1.776 -9.252 -2.183 1.00 1.45 O ATOM 671 CG2 THR A 40 2.988 -8.555 -4.089 1.00 1.35 C ATOM 0 H THR A 40 1.061 -6.977 -2.415 1.00 0.63 H new ATOM 0 HA THR A 40 0.450 -8.109 -5.052 1.00 0.74 H new ATOM 0 HB THR A 40 1.480 -10.070 -4.080 1.00 0.98 H new ATOM 0 HG1 THR A 40 0.888 -9.171 -1.776 1.00 1.45 H new ATOM 0 HG21 THR A 40 3.798 -9.219 -3.787 1.00 1.35 H new ATOM 0 HG22 THR A 40 2.968 -8.479 -5.176 1.00 1.35 H new ATOM 0 HG23 THR A 40 3.150 -7.567 -3.659 1.00 1.35 H new ATOM 679 N GLU A 41 -1.584 -9.404 -4.590 1.00 1.04 N ATOM 680 CA GLU A 41 -2.861 -10.061 -4.349 1.00 1.27 C ATOM 681 C GLU A 41 -2.672 -11.543 -4.046 1.00 1.20 C ATOM 682 O GLU A 41 -1.915 -12.240 -4.728 1.00 1.66 O ATOM 683 CB GLU A 41 -3.784 -9.893 -5.558 1.00 1.89 C ATOM 684 CG GLU A 41 -5.149 -10.543 -5.381 1.00 2.55 C ATOM 685 CD GLU A 41 -5.851 -10.824 -6.692 1.00 3.05 C ATOM 686 OE1 GLU A 41 -5.252 -10.592 -7.756 1.00 3.46 O ATOM 687 OE2 GLU A 41 -7.016 -11.285 -6.657 1.00 3.56 O ATOM 0 H GLU A 41 -1.315 -9.348 -5.572 1.00 1.04 H new ATOM 0 HA GLU A 41 -3.318 -9.589 -3.480 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -3.921 -8.830 -5.755 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -3.299 -10.320 -6.436 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -5.031 -11.477 -4.832 1.00 2.55 H new ATOM 0 HG3 GLU A 41 -5.777 -9.893 -4.772 1.00 2.55 H new ATOM 694 N GLN A 42 -3.387 -12.024 -3.037 1.00 1.08 N ATOM 695 CA GLN A 42 -3.348 -13.426 -2.652 1.00 1.24 C ATOM 696 C GLN A 42 -4.766 -13.936 -2.486 1.00 1.37 C ATOM 697 O GLN A 42 -5.307 -13.964 -1.380 1.00 1.84 O ATOM 698 CB GLN A 42 -2.571 -13.658 -1.354 1.00 1.58 C ATOM 699 CG GLN A 42 -1.148 -13.149 -1.388 1.00 2.34 C ATOM 700 CD GLN A 42 -0.333 -13.643 -0.209 1.00 2.87 C ATOM 701 OE1 GLN A 42 -0.754 -13.518 0.939 1.00 3.26 O ATOM 702 NE2 GLN A 42 0.842 -14.205 -0.479 1.00 3.46 N ATOM 0 H GLN A 42 -4.009 -11.453 -2.464 1.00 1.08 H new ATOM 0 HA GLN A 42 -2.830 -13.969 -3.442 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -3.100 -13.172 -0.534 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -2.559 -14.726 -1.136 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -0.672 -13.468 -2.315 1.00 2.34 H new ATOM 0 HG3 GLN A 42 -1.154 -12.059 -1.392 1.00 2.34 H new ATOM 0 HE21 GLN A 42 1.156 -14.290 -1.446 1.00 3.46 H new ATOM 0 HE22 GLN A 42 1.429 -14.551 0.281 1.00 3.46 H new ATOM 711 N ASP A 43 -5.358 -14.338 -3.593 1.00 1.32 N ATOM 712 CA ASP A 43 -6.714 -14.843 -3.590 1.00 1.60 C ATOM 713 C ASP A 43 -6.696 -16.349 -3.462 1.00 1.62 C ATOM 714 O ASP A 43 -6.843 -17.070 -4.449 1.00 1.97 O ATOM 715 CB ASP A 43 -7.452 -14.424 -4.867 1.00 2.08 C ATOM 716 CG ASP A 43 -8.934 -14.745 -4.792 1.00 2.50 C ATOM 717 OD1 ASP A 43 -9.609 -14.222 -3.882 1.00 2.96 O ATOM 718 OD2 ASP A 43 -9.433 -15.532 -5.629 1.00 2.87 O ATOM 0 H ASP A 43 -4.916 -14.324 -4.512 1.00 1.32 H new ATOM 0 HA ASP A 43 -7.245 -14.418 -2.738 1.00 1.60 H new ATOM 0 HB2 ASP A 43 -7.319 -13.354 -5.029 1.00 2.08 H new ATOM 0 HB3 ASP A 43 -7.013 -14.933 -5.725 1.00 2.08 H new ATOM 723 N ALA A 44 -6.483 -16.803 -2.233 1.00 1.87 N ATOM 724 CA ALA A 44 -6.410 -18.218 -1.920 1.00 2.28 C ATOM 725 C ALA A 44 -5.218 -18.854 -2.650 1.00 2.75 C ATOM 726 O ALA A 44 -4.183 -18.206 -2.825 1.00 3.39 O ATOM 727 CB ALA A 44 -7.730 -18.913 -2.241 1.00 2.82 C ATOM 0 H ALA A 44 -6.356 -16.194 -1.424 1.00 1.87 H new ATOM 0 HA ALA A 44 -6.245 -18.343 -0.850 1.00 2.28 H new ATOM 0 HB1 ALA A 44 -7.652 -19.973 -1.998 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -8.530 -18.464 -1.652 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -7.952 -18.799 -3.302 1.00 2.82 H new ATOM 733 N SER A 45 -5.357 -20.095 -3.071 1.00 3.20 N ATOM 734 CA SER A 45 -4.291 -20.783 -3.769 1.00 4.25 C ATOM 735 C SER A 45 -4.823 -21.451 -5.025 1.00 4.77 C ATOM 736 O SER A 45 -5.808 -22.189 -4.980 1.00 5.30 O ATOM 737 CB SER A 45 -3.627 -21.806 -2.835 1.00 4.93 C ATOM 738 OG SER A 45 -4.586 -22.486 -2.041 1.00 5.22 O ATOM 0 H SER A 45 -6.203 -20.650 -2.941 1.00 3.20 H new ATOM 0 HA SER A 45 -3.537 -20.056 -4.072 1.00 4.25 H new ATOM 0 HB2 SER A 45 -3.065 -22.529 -3.426 1.00 4.93 H new ATOM 0 HB3 SER A 45 -2.912 -21.298 -2.188 1.00 4.93 H new ATOM 0 HG SER A 45 -4.131 -23.131 -1.459 1.00 5.22 H new ATOM 744 N THR A 46 -4.170 -21.155 -6.138 1.00 5.00 N ATOM 745 CA THR A 46 -4.533 -21.680 -7.460 1.00 5.82 C ATOM 746 C THR A 46 -5.978 -21.330 -7.798 1.00 5.62 C ATOM 747 O THR A 46 -6.779 -22.191 -8.160 1.00 5.88 O ATOM 748 CB THR A 46 -4.263 -23.200 -7.588 1.00 6.59 C ATOM 749 OG1 THR A 46 -4.874 -23.942 -6.544 1.00 6.31 O ATOM 750 CG2 THR A 46 -2.783 -23.534 -7.593 1.00 7.39 C ATOM 0 H THR A 46 -3.360 -20.535 -6.156 1.00 5.00 H new ATOM 0 HA THR A 46 -3.887 -21.196 -8.192 1.00 5.82 H new ATOM 0 HB THR A 46 -4.699 -23.480 -8.547 1.00 6.59 H new ATOM 0 HG1 THR A 46 -5.576 -23.401 -6.126 1.00 6.31 H new ATOM 0 HG21 THR A 46 -2.654 -24.612 -7.685 1.00 7.39 H new ATOM 0 HG22 THR A 46 -2.301 -23.038 -8.435 1.00 7.39 H new ATOM 0 HG23 THR A 46 -2.330 -23.192 -6.663 1.00 7.39 H new ATOM 758 N SER A 47 -6.292 -20.046 -7.689 1.00 5.54 N ATOM 759 CA SER A 47 -7.617 -19.543 -7.993 1.00 5.68 C ATOM 760 C SER A 47 -7.536 -18.727 -9.280 1.00 5.14 C ATOM 761 O SER A 47 -6.440 -18.333 -9.675 1.00 5.00 O ATOM 762 CB SER A 47 -8.134 -18.685 -6.836 1.00 6.41 C ATOM 763 OG SER A 47 -8.278 -19.450 -5.648 1.00 6.89 O ATOM 0 H SER A 47 -5.633 -19.328 -7.387 1.00 5.54 H new ATOM 0 HA SER A 47 -8.313 -20.371 -8.128 1.00 5.68 H new ATOM 0 HB2 SER A 47 -7.446 -17.859 -6.658 1.00 6.41 H new ATOM 0 HB3 SER A 47 -9.094 -18.247 -7.107 1.00 6.41 H new ATOM 0 HG SER A 47 -9.098 -19.181 -5.183 1.00 6.89 H new ATOM 769 N PRO A 48 -8.670 -18.502 -9.978 1.00 5.23 N ATOM 770 CA PRO A 48 -8.705 -17.766 -11.249 1.00 5.13 C ATOM 771 C PRO A 48 -7.815 -16.502 -11.311 1.00 4.48 C ATOM 772 O PRO A 48 -7.024 -16.360 -12.248 1.00 4.75 O ATOM 773 CB PRO A 48 -10.193 -17.397 -11.431 1.00 5.87 C ATOM 774 CG PRO A 48 -10.951 -18.048 -10.305 1.00 6.34 C ATOM 775 CD PRO A 48 -10.011 -18.997 -9.619 1.00 5.91 C ATOM 0 HA PRO A 48 -8.295 -18.390 -12.044 1.00 5.13 H new ATOM 0 HB2 PRO A 48 -10.327 -16.315 -11.411 1.00 5.87 H new ATOM 0 HB3 PRO A 48 -10.561 -17.746 -12.396 1.00 5.87 H new ATOM 0 HG2 PRO A 48 -11.317 -17.297 -9.605 1.00 6.34 H new ATOM 0 HG3 PRO A 48 -11.823 -18.580 -10.686 1.00 6.34 H new ATOM 0 HD2 PRO A 48 -10.160 -18.994 -8.539 1.00 5.91 H new ATOM 0 HD3 PRO A 48 -10.161 -20.022 -9.959 1.00 5.91 H new ATOM 783 N PRO A 49 -7.915 -15.570 -10.336 1.00 4.08 N ATOM 784 CA PRO A 49 -7.104 -14.352 -10.345 1.00 3.90 C ATOM 785 C PRO A 49 -5.636 -14.632 -10.040 1.00 3.66 C ATOM 786 O PRO A 49 -4.833 -14.832 -10.951 1.00 4.13 O ATOM 787 CB PRO A 49 -7.723 -13.479 -9.241 1.00 4.20 C ATOM 788 CG PRO A 49 -8.995 -14.158 -8.852 1.00 4.54 C ATOM 789 CD PRO A 49 -8.806 -15.606 -9.174 1.00 4.40 C ATOM 0 HA PRO A 49 -7.110 -13.876 -11.326 1.00 3.90 H new ATOM 0 HB2 PRO A 49 -7.050 -13.391 -8.388 1.00 4.20 H new ATOM 0 HB3 PRO A 49 -7.914 -12.468 -9.602 1.00 4.20 H new ATOM 0 HG2 PRO A 49 -9.203 -14.018 -7.791 1.00 4.54 H new ATOM 0 HG3 PRO A 49 -9.841 -13.744 -9.400 1.00 4.54 H new ATOM 0 HD2 PRO A 49 -8.361 -16.150 -8.341 1.00 4.40 H new ATOM 0 HD3 PRO A 49 -9.752 -16.095 -9.406 1.00 4.40 H new ATOM 797 N SER A 50 -5.304 -14.642 -8.759 1.00 3.25 N ATOM 798 CA SER A 50 -3.944 -14.891 -8.308 1.00 3.42 C ATOM 799 C SER A 50 -2.985 -13.805 -8.827 1.00 2.88 C ATOM 800 O SER A 50 -2.190 -14.042 -9.746 1.00 3.28 O ATOM 801 CB SER A 50 -3.484 -16.284 -8.753 1.00 4.28 C ATOM 802 OG SER A 50 -4.381 -17.279 -8.300 1.00 4.85 O ATOM 0 H SER A 50 -5.969 -14.478 -8.003 1.00 3.25 H new ATOM 0 HA SER A 50 -3.930 -14.854 -7.219 1.00 3.42 H new ATOM 0 HB2 SER A 50 -3.415 -16.319 -9.840 1.00 4.28 H new ATOM 0 HB3 SER A 50 -2.486 -16.484 -8.363 1.00 4.28 H new ATOM 0 HG SER A 50 -5.072 -17.429 -8.978 1.00 4.85 H new ATOM 808 N TYR A 51 -3.087 -12.612 -8.222 1.00 2.46 N ATOM 809 CA TYR A 51 -2.278 -11.448 -8.578 1.00 2.13 C ATOM 810 C TYR A 51 -2.753 -10.846 -9.901 1.00 2.52 C ATOM 811 O TYR A 51 -2.660 -11.474 -10.964 1.00 3.20 O ATOM 812 CB TYR A 51 -0.787 -11.796 -8.658 1.00 2.21 C ATOM 813 CG TYR A 51 0.088 -10.602 -8.995 1.00 2.58 C ATOM 814 CD1 TYR A 51 0.113 -9.489 -8.162 1.00 3.33 C ATOM 815 CD2 TYR A 51 0.882 -10.583 -10.135 1.00 2.99 C ATOM 816 CE1 TYR A 51 0.891 -8.391 -8.456 1.00 4.15 C ATOM 817 CE2 TYR A 51 1.669 -9.485 -10.437 1.00 3.82 C ATOM 818 CZ TYR A 51 1.671 -8.392 -9.590 1.00 4.30 C ATOM 819 OH TYR A 51 2.445 -7.293 -9.881 1.00 5.34 O ATOM 0 H TYR A 51 -3.744 -12.431 -7.463 1.00 2.46 H new ATOM 0 HA TYR A 51 -2.405 -10.709 -7.787 1.00 2.13 H new ATOM 0 HB2 TYR A 51 -0.467 -12.215 -7.704 1.00 2.21 H new ATOM 0 HB3 TYR A 51 -0.641 -12.570 -9.412 1.00 2.21 H new ATOM 0 HD1 TYR A 51 -0.490 -9.485 -7.266 1.00 3.33 H new ATOM 0 HD2 TYR A 51 0.885 -11.438 -10.795 1.00 2.99 H new ATOM 0 HE1 TYR A 51 0.889 -7.533 -7.800 1.00 4.15 H new ATOM 0 HE2 TYR A 51 2.278 -9.482 -11.329 1.00 3.82 H new ATOM 0 HH TYR A 51 3.102 -7.528 -10.569 1.00 5.34 H new ATOM 829 N THR A 52 -3.260 -9.621 -9.824 1.00 2.67 N ATOM 830 CA THR A 52 -3.752 -8.906 -10.988 1.00 3.45 C ATOM 831 C THR A 52 -2.587 -8.480 -11.896 1.00 3.24 C ATOM 832 O THR A 52 -1.489 -9.036 -11.811 1.00 3.53 O ATOM 833 CB THR A 52 -4.619 -7.714 -10.527 1.00 4.25 C ATOM 834 OG1 THR A 52 -4.112 -7.114 -9.338 1.00 4.76 O ATOM 835 CG2 THR A 52 -6.048 -8.119 -10.253 1.00 4.89 C ATOM 0 H THR A 52 -3.340 -9.099 -8.952 1.00 2.67 H new ATOM 0 HA THR A 52 -4.383 -9.562 -11.588 1.00 3.45 H new ATOM 0 HB THR A 52 -4.586 -7.002 -11.352 1.00 4.25 H new ATOM 0 HG1 THR A 52 -3.145 -6.982 -9.425 1.00 4.76 H new ATOM 0 HG21 THR A 52 -6.618 -7.247 -9.932 1.00 4.89 H new ATOM 0 HG22 THR A 52 -6.491 -8.528 -11.161 1.00 4.89 H new ATOM 0 HG23 THR A 52 -6.068 -8.875 -9.468 1.00 4.89 H new ATOM 843 N HIS A 53 -2.820 -7.524 -12.784 1.00 3.23 N ATOM 844 CA HIS A 53 -1.784 -7.078 -13.716 1.00 3.30 C ATOM 845 C HIS A 53 -0.980 -5.912 -13.173 1.00 2.67 C ATOM 846 O HIS A 53 -1.398 -4.761 -13.274 1.00 3.21 O ATOM 847 CB HIS A 53 -2.408 -6.689 -15.060 1.00 4.24 C ATOM 848 CG HIS A 53 -2.698 -7.858 -15.955 1.00 4.85 C ATOM 849 ND1 HIS A 53 -3.377 -8.984 -15.539 1.00 5.28 N ATOM 850 CD2 HIS A 53 -2.403 -8.066 -17.268 1.00 5.52 C ATOM 851 CE1 HIS A 53 -3.492 -9.819 -16.547 1.00 6.09 C ATOM 852 NE2 HIS A 53 -2.915 -9.294 -17.607 1.00 6.21 N ATOM 0 H HIS A 53 -3.713 -7.041 -12.882 1.00 3.23 H new ATOM 0 HA HIS A 53 -1.101 -7.916 -13.853 1.00 3.30 H new ATOM 0 HB2 HIS A 53 -3.335 -6.146 -14.876 1.00 4.24 H new ATOM 0 HB3 HIS A 53 -1.735 -6.005 -15.578 1.00 4.24 H new ATOM 0 HD2 HIS A 53 -1.867 -7.392 -17.920 1.00 5.52 H new ATOM 0 HE1 HIS A 53 -3.981 -10.781 -16.511 1.00 6.09 H new ATOM 0 HE2 HIS A 53 -2.858 -9.728 -18.528 1.00 6.21 H new ATOM 861 N TYR A 54 0.190 -6.232 -12.629 1.00 2.10 N ATOM 862 CA TYR A 54 1.109 -5.240 -12.082 1.00 2.00 C ATOM 863 C TYR A 54 0.420 -4.349 -11.062 1.00 1.62 C ATOM 864 O TYR A 54 0.192 -3.168 -11.314 1.00 1.96 O ATOM 865 CB TYR A 54 1.715 -4.376 -13.188 1.00 2.78 C ATOM 866 CG TYR A 54 2.761 -5.106 -14.010 1.00 3.45 C ATOM 867 CD1 TYR A 54 2.419 -6.219 -14.766 1.00 3.89 C ATOM 868 CD2 TYR A 54 4.103 -4.709 -14.003 1.00 4.24 C ATOM 869 CE1 TYR A 54 3.371 -6.915 -15.489 1.00 4.87 C ATOM 870 CE2 TYR A 54 5.057 -5.405 -14.736 1.00 5.15 C ATOM 871 CZ TYR A 54 4.688 -6.506 -15.471 1.00 5.40 C ATOM 872 OH TYR A 54 5.632 -7.204 -16.182 1.00 6.50 O ATOM 0 H TYR A 54 0.529 -7.191 -12.555 1.00 2.10 H new ATOM 0 HA TYR A 54 1.909 -5.789 -11.585 1.00 2.00 H new ATOM 0 HB2 TYR A 54 0.919 -4.031 -13.848 1.00 2.78 H new ATOM 0 HB3 TYR A 54 2.166 -3.490 -12.742 1.00 2.78 H new ATOM 0 HD1 TYR A 54 1.390 -6.548 -14.790 1.00 3.89 H new ATOM 0 HD2 TYR A 54 4.401 -3.850 -13.420 1.00 4.24 H new ATOM 0 HE1 TYR A 54 3.083 -7.780 -16.068 1.00 4.87 H new ATOM 0 HE2 TYR A 54 6.087 -5.081 -14.728 1.00 5.15 H new ATOM 0 HH TYR A 54 6.509 -6.783 -16.063 1.00 6.50 H new ATOM 882 N SER A 55 0.090 -4.922 -9.916 1.00 1.34 N ATOM 883 CA SER A 55 -0.573 -4.185 -8.859 1.00 1.50 C ATOM 884 C SER A 55 0.428 -3.304 -8.121 1.00 1.20 C ATOM 885 O SER A 55 0.944 -3.664 -7.059 1.00 1.33 O ATOM 886 CB SER A 55 -1.226 -5.173 -7.901 1.00 2.13 C ATOM 887 OG SER A 55 -1.650 -6.328 -8.608 1.00 2.61 O ATOM 0 H SER A 55 0.273 -5.901 -9.696 1.00 1.34 H new ATOM 0 HA SER A 55 -1.339 -3.538 -9.288 1.00 1.50 H new ATOM 0 HB2 SER A 55 -0.521 -5.454 -7.119 1.00 2.13 H new ATOM 0 HB3 SER A 55 -2.078 -4.705 -7.408 1.00 2.13 H new ATOM 0 HG SER A 55 -0.944 -7.007 -8.578 1.00 2.61 H new ATOM 893 N SER A 56 0.711 -2.161 -8.703 1.00 1.07 N ATOM 894 CA SER A 56 1.654 -1.241 -8.123 1.00 0.91 C ATOM 895 C SER A 56 1.173 0.188 -8.311 1.00 0.80 C ATOM 896 O SER A 56 0.850 0.602 -9.425 1.00 0.93 O ATOM 897 CB SER A 56 3.031 -1.432 -8.770 1.00 1.09 C ATOM 898 OG SER A 56 4.018 -0.658 -8.125 1.00 1.73 O ATOM 0 H SER A 56 0.298 -1.848 -9.582 1.00 1.07 H new ATOM 0 HA SER A 56 1.737 -1.440 -7.055 1.00 0.91 H new ATOM 0 HB2 SER A 56 3.310 -2.485 -8.730 1.00 1.09 H new ATOM 0 HB3 SER A 56 2.981 -1.155 -9.823 1.00 1.09 H new ATOM 0 HG SER A 56 4.787 -0.544 -8.722 1.00 1.73 H new ATOM 904 N ILE A 57 1.139 0.924 -7.211 1.00 0.68 N ATOM 905 CA ILE A 57 0.725 2.324 -7.211 1.00 0.67 C ATOM 906 C ILE A 57 1.951 3.209 -7.022 1.00 0.63 C ATOM 907 O ILE A 57 2.727 3.002 -6.094 1.00 0.81 O ATOM 908 CB ILE A 57 -0.281 2.620 -6.071 1.00 0.76 C ATOM 909 CG1 ILE A 57 -1.672 2.068 -6.407 1.00 0.92 C ATOM 910 CG2 ILE A 57 -0.361 4.116 -5.774 1.00 0.82 C ATOM 911 CD1 ILE A 57 -2.328 2.706 -7.618 1.00 0.81 C ATOM 0 H ILE A 57 1.398 0.570 -6.290 1.00 0.68 H new ATOM 0 HA ILE A 57 0.239 2.531 -8.164 1.00 0.67 H new ATOM 0 HB ILE A 57 0.084 2.116 -5.176 1.00 0.76 H new ATOM 0 HG12 ILE A 57 -1.591 0.994 -6.577 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -2.322 2.206 -5.543 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -1.076 4.290 -4.969 1.00 0.82 H new ATOM 0 HG22 ILE A 57 0.621 4.480 -5.472 1.00 0.82 H new ATOM 0 HG23 ILE A 57 -0.686 4.648 -6.668 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -3.307 2.255 -7.781 1.00 0.81 H new ATOM 0 HD12 ILE A 57 -2.445 3.776 -7.447 1.00 0.81 H new ATOM 0 HD13 ILE A 57 -1.703 2.546 -8.497 1.00 0.81 H new ATOM 923 N ARG A 58 2.128 4.184 -7.899 1.00 0.66 N ATOM 924 CA ARG A 58 3.264 5.071 -7.786 1.00 0.73 C ATOM 925 C ARG A 58 3.071 6.036 -6.620 1.00 0.75 C ATOM 926 O ARG A 58 2.012 6.629 -6.465 1.00 0.91 O ATOM 927 CB ARG A 58 3.484 5.848 -9.077 1.00 0.96 C ATOM 928 CG ARG A 58 4.937 5.907 -9.504 1.00 1.24 C ATOM 929 CD ARG A 58 5.824 6.532 -8.448 1.00 1.86 C ATOM 930 NE ARG A 58 7.240 6.247 -8.692 1.00 2.47 N ATOM 931 CZ ARG A 58 7.919 6.681 -9.755 1.00 2.95 C ATOM 932 NH1 ARG A 58 7.387 7.590 -10.561 1.00 3.22 N ATOM 933 NH2 ARG A 58 9.184 6.329 -9.915 1.00 3.70 N ATOM 0 H ARG A 58 1.507 4.376 -8.685 1.00 0.66 H new ATOM 0 HA ARG A 58 4.148 4.462 -7.600 1.00 0.73 H new ATOM 0 HB2 ARG A 58 2.897 5.389 -9.873 1.00 0.96 H new ATOM 0 HB3 ARG A 58 3.109 6.863 -8.950 1.00 0.96 H new ATOM 0 HG2 ARG A 58 5.290 4.899 -9.721 1.00 1.24 H new ATOM 0 HG3 ARG A 58 5.018 6.479 -10.428 1.00 1.24 H new ATOM 0 HD2 ARG A 58 5.667 7.611 -8.433 1.00 1.86 H new ATOM 0 HD3 ARG A 58 5.541 6.155 -7.465 1.00 1.86 H new ATOM 0 HE ARG A 58 7.738 5.681 -8.005 1.00 2.47 H new ATOM 0 HH11 ARG A 58 6.456 7.959 -10.369 1.00 3.22 H new ATOM 0 HH12 ARG A 58 7.909 7.920 -11.373 1.00 3.22 H new ATOM 0 HH21 ARG A 58 9.637 5.728 -9.227 1.00 3.70 H new ATOM 0 HH22 ARG A 58 9.706 6.659 -10.727 1.00 3.70 H new ATOM 947 N LEU A 59 4.101 6.171 -5.798 1.00 0.85 N ATOM 948 CA LEU A 59 4.049 7.042 -4.630 1.00 1.02 C ATOM 949 C LEU A 59 4.570 8.455 -4.945 1.00 1.15 C ATOM 950 O LEU A 59 4.771 9.262 -4.036 1.00 1.59 O ATOM 951 CB LEU A 59 4.864 6.433 -3.491 1.00 1.28 C ATOM 952 CG LEU A 59 4.476 6.909 -2.090 1.00 1.35 C ATOM 953 CD1 LEU A 59 3.078 6.438 -1.732 1.00 1.35 C ATOM 954 CD2 LEU A 59 5.479 6.425 -1.061 1.00 1.79 C ATOM 0 H LEU A 59 4.990 5.685 -5.919 1.00 0.85 H new ATOM 0 HA LEU A 59 3.005 7.131 -4.331 1.00 1.02 H new ATOM 0 HB2 LEU A 59 4.762 5.349 -3.531 1.00 1.28 H new ATOM 0 HB3 LEU A 59 5.917 6.660 -3.656 1.00 1.28 H new ATOM 0 HG LEU A 59 4.483 7.999 -2.088 1.00 1.35 H new ATOM 0 HD11 LEU A 59 2.821 6.787 -0.732 1.00 1.35 H new ATOM 0 HD12 LEU A 59 2.364 6.839 -2.451 1.00 1.35 H new ATOM 0 HD13 LEU A 59 3.044 5.349 -1.756 1.00 1.35 H new ATOM 0 HD21 LEU A 59 5.183 6.775 -0.072 1.00 1.79 H new ATOM 0 HD22 LEU A 59 5.509 5.335 -1.066 1.00 1.79 H new ATOM 0 HD23 LEU A 59 6.467 6.816 -1.304 1.00 1.79 H new ATOM 966 N ASP A 60 4.786 8.740 -6.218 1.00 1.13 N ATOM 967 CA ASP A 60 5.293 10.051 -6.622 1.00 1.33 C ATOM 968 C ASP A 60 4.167 10.957 -7.111 1.00 1.33 C ATOM 969 O ASP A 60 4.167 12.163 -6.863 1.00 1.56 O ATOM 970 CB ASP A 60 6.343 9.877 -7.703 1.00 1.46 C ATOM 971 CG ASP A 60 6.951 11.201 -8.117 1.00 1.90 C ATOM 972 OD1 ASP A 60 7.534 11.890 -7.264 1.00 2.52 O ATOM 973 OD2 ASP A 60 6.846 11.559 -9.314 1.00 2.27 O ATOM 0 H ASP A 60 4.622 8.091 -6.988 1.00 1.13 H new ATOM 0 HA ASP A 60 5.744 10.530 -5.753 1.00 1.33 H new ATOM 0 HB2 ASP A 60 7.129 9.213 -7.342 1.00 1.46 H new ATOM 0 HB3 ASP A 60 5.894 9.396 -8.572 1.00 1.46 H new ATOM 978 N LYS A 61 3.203 10.378 -7.796 1.00 1.22 N ATOM 979 CA LYS A 61 2.073 11.138 -8.308 1.00 1.28 C ATOM 980 C LYS A 61 0.825 10.275 -8.341 1.00 1.06 C ATOM 981 O LYS A 61 0.574 9.583 -9.326 1.00 1.27 O ATOM 982 CB LYS A 61 2.352 11.694 -9.713 1.00 1.60 C ATOM 983 CG LYS A 61 3.066 13.046 -9.724 1.00 1.93 C ATOM 984 CD LYS A 61 3.021 13.685 -11.097 1.00 2.55 C ATOM 985 CE LYS A 61 4.020 13.052 -12.063 1.00 3.16 C ATOM 986 NZ LYS A 61 3.621 11.692 -12.515 1.00 3.92 N ATOM 0 H LYS A 61 3.176 9.382 -8.013 1.00 1.22 H new ATOM 0 HA LYS A 61 1.916 11.980 -7.634 1.00 1.28 H new ATOM 0 HB2 LYS A 61 2.956 10.973 -10.263 1.00 1.60 H new ATOM 0 HB3 LYS A 61 1.407 11.791 -10.247 1.00 1.60 H new ATOM 0 HG2 LYS A 61 2.600 13.711 -8.996 1.00 1.93 H new ATOM 0 HG3 LYS A 61 4.103 12.914 -9.417 1.00 1.93 H new ATOM 0 HD2 LYS A 61 2.015 13.592 -11.506 1.00 2.55 H new ATOM 0 HD3 LYS A 61 3.231 14.751 -11.007 1.00 2.55 H new ATOM 0 HE2 LYS A 61 4.132 13.698 -12.934 1.00 3.16 H new ATOM 0 HE3 LYS A 61 4.996 12.995 -11.580 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 3.885 11.566 -13.513 1.00 3.92 H new ATOM 0 HZ2 LYS A 61 4.106 10.977 -11.936 1.00 3.92 H new ATOM 0 HZ3 LYS A 61 2.592 11.580 -12.413 1.00 3.92 H new ATOM 1000 N TYR A 62 0.037 10.321 -7.277 1.00 0.83 N ATOM 1001 CA TYR A 62 -1.198 9.563 -7.200 1.00 0.69 C ATOM 1002 C TYR A 62 -2.193 10.325 -6.314 1.00 0.67 C ATOM 1003 O TYR A 62 -1.808 10.965 -5.336 1.00 0.83 O ATOM 1004 CB TYR A 62 -0.970 8.138 -6.670 1.00 0.70 C ATOM 1005 CG TYR A 62 -0.694 8.072 -5.194 1.00 0.74 C ATOM 1006 CD1 TYR A 62 0.472 8.602 -4.643 1.00 1.49 C ATOM 1007 CD2 TYR A 62 -1.623 7.497 -4.340 1.00 1.46 C ATOM 1008 CE1 TYR A 62 0.701 8.552 -3.288 1.00 1.84 C ATOM 1009 CE2 TYR A 62 -1.400 7.438 -2.984 1.00 1.79 C ATOM 1010 CZ TYR A 62 -0.235 7.972 -2.457 1.00 1.66 C ATOM 1011 OH TYR A 62 -0.005 7.927 -1.106 1.00 2.21 O ATOM 0 H TYR A 62 0.236 10.882 -6.449 1.00 0.83 H new ATOM 0 HA TYR A 62 -1.604 9.457 -8.206 1.00 0.69 H new ATOM 0 HB2 TYR A 62 -1.849 7.534 -6.892 1.00 0.70 H new ATOM 0 HB3 TYR A 62 -0.133 7.692 -7.206 1.00 0.70 H new ATOM 0 HD1 TYR A 62 1.206 9.059 -5.290 1.00 1.49 H new ATOM 0 HD2 TYR A 62 -2.537 7.089 -4.746 1.00 1.46 H new ATOM 0 HE1 TYR A 62 1.610 8.965 -2.876 1.00 1.84 H new ATOM 0 HE2 TYR A 62 -2.129 6.978 -2.333 1.00 1.79 H new ATOM 0 HH TYR A 62 -0.759 7.488 -0.660 1.00 2.21 H new ATOM 1021 N ASN A 63 -3.462 10.280 -6.656 1.00 0.64 N ATOM 1022 CA ASN A 63 -4.466 10.982 -5.877 1.00 0.73 C ATOM 1023 C ASN A 63 -5.179 10.041 -4.922 1.00 0.64 C ATOM 1024 O ASN A 63 -6.101 9.325 -5.296 1.00 0.73 O ATOM 1025 CB ASN A 63 -5.462 11.668 -6.797 1.00 0.89 C ATOM 1026 CG ASN A 63 -6.435 12.571 -6.052 1.00 1.49 C ATOM 1027 OD1 ASN A 63 -6.050 13.338 -5.162 1.00 2.15 O ATOM 1028 ND2 ASN A 63 -7.698 12.514 -6.434 1.00 2.13 N ATOM 0 H ASN A 63 -3.824 9.770 -7.461 1.00 0.64 H new ATOM 0 HA ASN A 63 -3.961 11.741 -5.279 1.00 0.73 H new ATOM 0 HB2 ASN A 63 -4.919 12.258 -7.535 1.00 0.89 H new ATOM 0 HB3 ASN A 63 -6.024 10.911 -7.344 1.00 0.89 H new ATOM 0 HD21 ASN A 63 -8.392 13.116 -5.991 1.00 2.13 H new ATOM 0 HD22 ASN A 63 -7.979 11.868 -7.172 1.00 2.13 H new ATOM 1035 N ILE A 64 -4.736 10.051 -3.689 1.00 0.74 N ATOM 1036 CA ILE A 64 -5.315 9.198 -2.660 1.00 0.70 C ATOM 1037 C ILE A 64 -6.289 9.969 -1.780 1.00 0.79 C ATOM 1038 O ILE A 64 -6.051 11.127 -1.411 1.00 1.00 O ATOM 1039 CB ILE A 64 -4.226 8.534 -1.793 1.00 0.76 C ATOM 1040 CG1 ILE A 64 -4.827 7.426 -0.930 1.00 0.80 C ATOM 1041 CG2 ILE A 64 -3.517 9.559 -0.916 1.00 0.91 C ATOM 1042 CD1 ILE A 64 -3.764 6.530 -0.319 1.00 1.18 C ATOM 0 H ILE A 64 -3.971 10.642 -3.364 1.00 0.74 H new ATOM 0 HA ILE A 64 -5.866 8.412 -3.176 1.00 0.70 H new ATOM 0 HB ILE A 64 -3.489 8.095 -2.465 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -5.424 7.872 -0.135 1.00 0.80 H new ATOM 0 HG13 ILE A 64 -5.503 6.823 -1.536 1.00 0.80 H new ATOM 0 HG21 ILE A 64 -2.755 9.060 -0.317 1.00 0.91 H new ATOM 0 HG22 ILE A 64 -3.046 10.314 -1.546 1.00 0.91 H new ATOM 0 HG23 ILE A 64 -4.242 10.037 -0.257 1.00 0.91 H new ATOM 0 HD11 ILE A 64 -4.242 5.759 0.285 1.00 1.18 H new ATOM 0 HD12 ILE A 64 -3.183 6.061 -1.113 1.00 1.18 H new ATOM 0 HD13 ILE A 64 -3.103 7.126 0.310 1.00 1.18 H new ATOM 1054 N ARG A 65 -7.405 9.328 -1.460 1.00 0.69 N ATOM 1055 CA ARG A 65 -8.443 9.932 -0.636 1.00 0.80 C ATOM 1056 C ARG A 65 -9.035 8.868 0.276 1.00 0.68 C ATOM 1057 O ARG A 65 -8.609 7.715 0.236 1.00 0.71 O ATOM 1058 CB ARG A 65 -9.553 10.526 -1.510 1.00 0.97 C ATOM 1059 CG ARG A 65 -9.063 11.287 -2.728 1.00 1.24 C ATOM 1060 CD ARG A 65 -10.197 12.031 -3.425 1.00 1.78 C ATOM 1061 NE ARG A 65 -10.736 13.128 -2.605 1.00 2.20 N ATOM 1062 CZ ARG A 65 -10.045 14.223 -2.259 1.00 2.86 C ATOM 1063 NH1 ARG A 65 -8.886 14.486 -2.837 1.00 3.32 N ATOM 1064 NH2 ARG A 65 -10.615 15.156 -1.512 1.00 3.57 N ATOM 0 H ARG A 65 -7.616 8.377 -1.763 1.00 0.69 H new ATOM 0 HA ARG A 65 -8.001 10.733 -0.044 1.00 0.80 H new ATOM 0 HB2 ARG A 65 -10.207 9.719 -1.841 1.00 0.97 H new ATOM 0 HB3 ARG A 65 -10.158 11.196 -0.899 1.00 0.97 H new ATOM 0 HG2 ARG A 65 -8.293 11.997 -2.427 1.00 1.24 H new ATOM 0 HG3 ARG A 65 -8.600 10.592 -3.428 1.00 1.24 H new ATOM 0 HD2 ARG A 65 -9.836 12.432 -4.372 1.00 1.78 H new ATOM 0 HD3 ARG A 65 -10.998 11.330 -3.660 1.00 1.78 H new ATOM 0 HE ARG A 65 -11.699 13.050 -2.278 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -8.516 13.855 -3.548 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -8.362 15.320 -2.572 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -11.579 15.041 -1.200 1.00 3.57 H new ATOM 0 HH22 ARG A 65 -10.090 15.990 -1.248 1.00 3.57 H new ATOM 1078 N GLN A 66 -10.020 9.233 1.075 1.00 0.82 N ATOM 1079 CA GLN A 66 -10.661 8.277 1.968 1.00 0.83 C ATOM 1080 C GLN A 66 -12.074 8.732 2.302 1.00 0.99 C ATOM 1081 O GLN A 66 -12.382 9.919 2.200 1.00 1.30 O ATOM 1082 CB GLN A 66 -9.839 8.063 3.252 1.00 0.97 C ATOM 1083 CG GLN A 66 -9.993 9.145 4.319 1.00 1.30 C ATOM 1084 CD GLN A 66 -9.460 10.503 3.909 1.00 1.66 C ATOM 1085 OE1 GLN A 66 -8.292 10.657 3.561 1.00 2.14 O ATOM 1086 NE2 GLN A 66 -10.318 11.506 3.969 1.00 2.45 N ATOM 0 H GLN A 66 -10.395 10.180 1.127 1.00 0.82 H new ATOM 0 HA GLN A 66 -10.714 7.319 1.451 1.00 0.83 H new ATOM 0 HB2 GLN A 66 -10.121 7.105 3.688 1.00 0.97 H new ATOM 0 HB3 GLN A 66 -8.786 7.992 2.981 1.00 0.97 H new ATOM 0 HG2 GLN A 66 -11.049 9.243 4.571 1.00 1.30 H new ATOM 0 HG3 GLN A 66 -9.478 8.823 5.224 1.00 1.30 H new ATOM 0 HE21 GLN A 66 -11.280 11.337 4.263 1.00 2.45 H new ATOM 0 HE22 GLN A 66 -10.018 12.449 3.721 1.00 2.45 H new ATOM 1095 N HIS A 67 -12.951 7.800 2.684 1.00 0.94 N ATOM 1096 CA HIS A 67 -14.324 8.149 3.013 1.00 1.14 C ATOM 1097 C HIS A 67 -14.648 7.758 4.440 1.00 1.30 C ATOM 1098 O HIS A 67 -14.206 6.709 4.921 1.00 1.32 O ATOM 1099 CB HIS A 67 -15.292 7.476 2.043 1.00 1.28 C ATOM 1100 CG HIS A 67 -15.183 7.992 0.643 1.00 1.31 C ATOM 1101 ND1 HIS A 67 -15.486 9.286 0.282 1.00 1.60 N ATOM 1102 CD2 HIS A 67 -14.783 7.374 -0.491 1.00 1.36 C ATOM 1103 CE1 HIS A 67 -15.286 9.434 -1.014 1.00 1.79 C ATOM 1104 NE2 HIS A 67 -14.856 8.285 -1.503 1.00 1.61 N ATOM 0 H HIS A 67 -12.732 6.808 2.771 1.00 0.94 H new ATOM 0 HA HIS A 67 -14.435 9.229 2.920 1.00 1.14 H new ATOM 0 HB2 HIS A 67 -15.106 6.402 2.042 1.00 1.28 H new ATOM 0 HB3 HIS A 67 -16.312 7.623 2.398 1.00 1.28 H new ATOM 0 HD2 HIS A 67 -14.464 6.346 -0.579 1.00 1.36 H new ATOM 0 HE1 HIS A 67 -15.447 10.340 -1.579 1.00 1.79 H new ATOM 0 HE2 HIS A 67 -14.617 8.108 -2.479 1.00 1.61 H new ATOM 1113 N THR A 68 -15.403 8.609 5.123 1.00 1.74 N ATOM 1114 CA THR A 68 -15.764 8.367 6.510 1.00 2.04 C ATOM 1115 C THR A 68 -16.953 7.405 6.631 1.00 1.92 C ATOM 1116 O THR A 68 -18.087 7.727 6.254 1.00 2.16 O ATOM 1117 CB THR A 68 -16.062 9.703 7.203 1.00 2.74 C ATOM 1118 OG1 THR A 68 -15.016 10.627 6.959 1.00 3.12 O ATOM 1119 CG2 THR A 68 -16.224 9.585 8.704 1.00 3.23 C ATOM 0 H THR A 68 -15.777 9.475 4.736 1.00 1.74 H new ATOM 0 HA THR A 68 -14.920 7.887 7.006 1.00 2.04 H new ATOM 0 HB THR A 68 -17.008 10.043 6.782 1.00 2.74 H new ATOM 0 HG1 THR A 68 -15.219 11.476 7.405 1.00 3.12 H new ATOM 0 HG21 THR A 68 -16.433 10.568 9.126 1.00 3.23 H new ATOM 0 HG22 THR A 68 -17.050 8.911 8.929 1.00 3.23 H new ATOM 0 HG23 THR A 68 -15.306 9.191 9.139 1.00 3.23 H new ATOM 1127 N THR A 69 -16.669 6.233 7.174 1.00 2.34 N ATOM 1128 CA THR A 69 -17.647 5.178 7.412 1.00 2.58 C ATOM 1129 C THR A 69 -17.044 4.293 8.509 1.00 2.35 C ATOM 1130 O THR A 69 -15.989 4.657 9.026 1.00 2.76 O ATOM 1131 CB THR A 69 -17.913 4.377 6.130 1.00 3.11 C ATOM 1132 OG1 THR A 69 -17.955 5.237 4.996 1.00 3.61 O ATOM 1133 CG2 THR A 69 -19.222 3.609 6.160 1.00 3.69 C ATOM 0 H THR A 69 -15.727 5.980 7.471 1.00 2.34 H new ATOM 0 HA THR A 69 -18.611 5.584 7.718 1.00 2.58 H new ATOM 0 HB THR A 69 -17.089 3.666 6.063 1.00 3.11 H new ATOM 0 HG1 THR A 69 -18.124 4.707 4.189 1.00 3.61 H new ATOM 0 HG21 THR A 69 -19.347 3.066 5.223 1.00 3.69 H new ATOM 0 HG22 THR A 69 -19.211 2.903 6.990 1.00 3.69 H new ATOM 0 HG23 THR A 69 -20.050 4.306 6.288 1.00 3.69 H new ATOM 1141 N ASP A 70 -17.680 3.172 8.871 1.00 2.34 N ATOM 1142 CA ASP A 70 -17.153 2.278 9.917 1.00 2.43 C ATOM 1143 C ASP A 70 -15.649 2.109 9.763 1.00 2.17 C ATOM 1144 O ASP A 70 -14.887 2.300 10.713 1.00 2.45 O ATOM 1145 CB ASP A 70 -17.829 0.906 9.843 1.00 3.01 C ATOM 1146 CG ASP A 70 -19.335 0.980 9.952 1.00 3.63 C ATOM 1147 OD1 ASP A 70 -19.864 2.067 10.241 1.00 3.96 O ATOM 1148 OD2 ASP A 70 -20.002 -0.052 9.744 1.00 4.26 O ATOM 0 H ASP A 70 -18.559 2.860 8.458 1.00 2.34 H new ATOM 0 HA ASP A 70 -17.367 2.729 10.886 1.00 2.43 H new ATOM 0 HB2 ASP A 70 -17.562 0.426 8.901 1.00 3.01 H new ATOM 0 HB3 ASP A 70 -17.443 0.274 10.643 1.00 3.01 H new ATOM 1153 N GLU A 71 -15.224 1.807 8.549 1.00 2.04 N ATOM 1154 CA GLU A 71 -13.815 1.677 8.260 1.00 2.00 C ATOM 1155 C GLU A 71 -13.434 2.699 7.196 1.00 1.55 C ATOM 1156 O GLU A 71 -13.949 2.656 6.078 1.00 1.90 O ATOM 1157 CB GLU A 71 -13.449 0.270 7.784 1.00 2.69 C ATOM 1158 CG GLU A 71 -13.859 -0.848 8.726 1.00 3.30 C ATOM 1159 CD GLU A 71 -13.359 -2.194 8.248 1.00 3.99 C ATOM 1160 OE1 GLU A 71 -12.128 -2.405 8.238 1.00 4.40 O ATOM 1161 OE2 GLU A 71 -14.190 -3.036 7.855 1.00 4.50 O ATOM 0 H GLU A 71 -15.838 1.648 7.750 1.00 2.04 H new ATOM 0 HA GLU A 71 -13.261 1.858 9.181 1.00 2.00 H new ATOM 0 HB2 GLU A 71 -13.915 0.097 6.814 1.00 2.69 H new ATOM 0 HB3 GLU A 71 -12.371 0.222 7.633 1.00 2.69 H new ATOM 0 HG2 GLU A 71 -13.466 -0.647 9.723 1.00 3.30 H new ATOM 0 HG3 GLU A 71 -14.945 -0.872 8.811 1.00 3.30 H new ATOM 1168 N ASP A 72 -12.545 3.616 7.558 1.00 1.31 N ATOM 1169 CA ASP A 72 -12.092 4.659 6.637 1.00 1.10 C ATOM 1170 C ASP A 72 -11.519 4.031 5.373 1.00 0.90 C ATOM 1171 O ASP A 72 -10.427 3.459 5.369 1.00 1.26 O ATOM 1172 CB ASP A 72 -11.063 5.567 7.298 1.00 1.58 C ATOM 1173 CG ASP A 72 -11.645 6.340 8.461 1.00 2.08 C ATOM 1174 OD1 ASP A 72 -11.958 5.715 9.496 1.00 2.67 O ATOM 1175 OD2 ASP A 72 -11.805 7.571 8.340 1.00 2.64 O ATOM 0 H ASP A 72 -12.121 3.661 8.485 1.00 1.31 H new ATOM 0 HA ASP A 72 -12.952 5.272 6.366 1.00 1.10 H new ATOM 0 HB2 ASP A 72 -10.223 4.967 7.647 1.00 1.58 H new ATOM 0 HB3 ASP A 72 -10.670 6.266 6.560 1.00 1.58 H new ATOM 1180 N THR A 73 -12.299 4.110 4.316 1.00 0.74 N ATOM 1181 CA THR A 73 -11.944 3.527 3.040 1.00 0.65 C ATOM 1182 C THR A 73 -10.895 4.361 2.318 1.00 0.60 C ATOM 1183 O THR A 73 -11.201 5.435 1.801 1.00 0.79 O ATOM 1184 CB THR A 73 -13.216 3.407 2.219 1.00 0.79 C ATOM 1185 OG1 THR A 73 -14.269 2.913 3.035 1.00 0.89 O ATOM 1186 CG2 THR A 73 -13.079 2.473 1.046 1.00 0.94 C ATOM 0 H THR A 73 -13.203 4.583 4.318 1.00 0.74 H new ATOM 0 HA THR A 73 -11.500 2.543 3.190 1.00 0.65 H new ATOM 0 HB THR A 73 -13.427 4.407 1.841 1.00 0.79 H new ATOM 0 HG1 THR A 73 -15.088 2.839 2.502 1.00 0.89 H new ATOM 0 HG21 THR A 73 -14.022 2.432 0.501 1.00 0.94 H new ATOM 0 HG22 THR A 73 -12.293 2.834 0.383 1.00 0.94 H new ATOM 0 HG23 THR A 73 -12.823 1.476 1.403 1.00 0.94 H new ATOM 1194 N ILE A 74 -9.672 3.855 2.293 1.00 0.53 N ATOM 1195 CA ILE A 74 -8.572 4.549 1.644 1.00 0.52 C ATOM 1196 C ILE A 74 -8.590 4.248 0.146 1.00 0.50 C ATOM 1197 O ILE A 74 -8.115 3.205 -0.293 1.00 0.66 O ATOM 1198 CB ILE A 74 -7.212 4.109 2.234 1.00 0.62 C ATOM 1199 CG1 ILE A 74 -7.235 4.194 3.760 1.00 0.79 C ATOM 1200 CG2 ILE A 74 -6.080 4.959 1.679 1.00 0.73 C ATOM 1201 CD1 ILE A 74 -7.252 5.616 4.291 1.00 0.99 C ATOM 0 H ILE A 74 -9.416 2.963 2.716 1.00 0.53 H new ATOM 0 HA ILE A 74 -8.696 5.619 1.814 1.00 0.52 H new ATOM 0 HB ILE A 74 -7.039 3.073 1.944 1.00 0.62 H new ATOM 0 HG12 ILE A 74 -8.113 3.666 4.131 1.00 0.79 H new ATOM 0 HG13 ILE A 74 -6.361 3.678 4.157 1.00 0.79 H new ATOM 0 HG21 ILE A 74 -5.134 4.630 2.109 1.00 0.73 H new ATOM 0 HG22 ILE A 74 -6.043 4.852 0.595 1.00 0.73 H new ATOM 0 HG23 ILE A 74 -6.251 6.005 1.935 1.00 0.73 H new ATOM 0 HD11 ILE A 74 -7.268 5.597 5.381 1.00 0.99 H new ATOM 0 HD12 ILE A 74 -6.360 6.142 3.950 1.00 0.99 H new ATOM 0 HD13 ILE A 74 -8.140 6.131 3.924 1.00 0.99 H new ATOM 1213 N VAL A 75 -9.164 5.146 -0.627 1.00 0.42 N ATOM 1214 CA VAL A 75 -9.270 4.955 -2.054 1.00 0.45 C ATOM 1215 C VAL A 75 -8.137 5.667 -2.798 1.00 0.46 C ATOM 1216 O VAL A 75 -7.821 6.823 -2.517 1.00 0.59 O ATOM 1217 CB VAL A 75 -10.649 5.431 -2.579 1.00 0.55 C ATOM 1218 CG1 VAL A 75 -11.774 4.803 -1.771 1.00 0.61 C ATOM 1219 CG2 VAL A 75 -10.770 6.951 -2.571 1.00 1.19 C ATOM 0 H VAL A 75 -9.566 6.019 -0.286 1.00 0.42 H new ATOM 0 HA VAL A 75 -9.180 3.886 -2.248 1.00 0.45 H new ATOM 0 HB VAL A 75 -10.732 5.103 -3.615 1.00 0.55 H new ATOM 0 HG11 VAL A 75 -12.734 5.149 -2.154 1.00 0.61 H new ATOM 0 HG12 VAL A 75 -11.720 3.718 -1.854 1.00 0.61 H new ATOM 0 HG13 VAL A 75 -11.676 5.092 -0.725 1.00 0.61 H new ATOM 0 HG21 VAL A 75 -11.752 7.240 -2.947 1.00 1.19 H new ATOM 0 HG22 VAL A 75 -10.648 7.320 -1.553 1.00 1.19 H new ATOM 0 HG23 VAL A 75 -9.997 7.381 -3.208 1.00 1.19 H new ATOM 1229 N LEU A 76 -7.534 4.965 -3.747 1.00 0.51 N ATOM 1230 CA LEU A 76 -6.442 5.522 -4.531 1.00 0.58 C ATOM 1231 C LEU A 76 -6.909 5.736 -5.953 1.00 0.59 C ATOM 1232 O LEU A 76 -7.363 4.806 -6.618 1.00 0.68 O ATOM 1233 CB LEU A 76 -5.201 4.621 -4.525 1.00 0.74 C ATOM 1234 CG LEU A 76 -4.535 4.390 -3.168 1.00 0.86 C ATOM 1235 CD1 LEU A 76 -5.336 3.430 -2.292 1.00 0.75 C ATOM 1236 CD2 LEU A 76 -3.112 3.882 -3.367 1.00 1.04 C ATOM 0 H LEU A 76 -7.783 4.007 -3.993 1.00 0.51 H new ATOM 0 HA LEU A 76 -6.156 6.470 -4.076 1.00 0.58 H new ATOM 0 HB2 LEU A 76 -5.481 3.652 -4.938 1.00 0.74 H new ATOM 0 HB3 LEU A 76 -4.462 5.053 -5.199 1.00 0.74 H new ATOM 0 HG LEU A 76 -4.504 5.346 -2.645 1.00 0.86 H new ATOM 0 HD11 LEU A 76 -4.825 3.296 -1.338 1.00 0.75 H new ATOM 0 HD12 LEU A 76 -6.330 3.841 -2.117 1.00 0.75 H new ATOM 0 HD13 LEU A 76 -5.425 2.467 -2.795 1.00 0.75 H new ATOM 0 HD21 LEU A 76 -2.644 3.720 -2.396 1.00 1.04 H new ATOM 0 HD22 LEU A 76 -3.135 2.943 -3.920 1.00 1.04 H new ATOM 0 HD23 LEU A 76 -2.538 4.619 -3.928 1.00 1.04 H new ATOM 1248 N GLN A 77 -6.823 6.968 -6.398 1.00 0.62 N ATOM 1249 CA GLN A 77 -7.262 7.323 -7.732 1.00 0.74 C ATOM 1250 C GLN A 77 -6.090 7.764 -8.596 1.00 0.78 C ATOM 1251 O GLN A 77 -5.228 8.527 -8.156 1.00 1.06 O ATOM 1252 CB GLN A 77 -8.316 8.413 -7.635 1.00 0.93 C ATOM 1253 CG GLN A 77 -9.537 8.003 -6.825 1.00 1.36 C ATOM 1254 CD GLN A 77 -10.570 9.099 -6.713 1.00 1.61 C ATOM 1255 OE1 GLN A 77 -11.621 8.914 -6.104 1.00 2.19 O ATOM 1256 NE2 GLN A 77 -10.295 10.245 -7.321 1.00 2.03 N ATOM 0 H GLN A 77 -6.451 7.747 -5.854 1.00 0.62 H new ATOM 0 HA GLN A 77 -7.699 6.447 -8.211 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -7.871 9.299 -7.183 1.00 0.93 H new ATOM 0 HB3 GLN A 77 -8.633 8.692 -8.640 1.00 0.93 H new ATOM 0 HG2 GLN A 77 -9.994 7.127 -7.286 1.00 1.36 H new ATOM 0 HG3 GLN A 77 -9.220 7.708 -5.825 1.00 1.36 H new ATOM 0 HE21 GLN A 77 -9.411 10.360 -7.817 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -10.967 11.011 -7.293 1.00 2.03 H new ATOM 1265 N PRO A 78 -6.021 7.260 -9.836 1.00 0.85 N ATOM 1266 CA PRO A 78 -4.944 7.565 -10.764 1.00 0.99 C ATOM 1267 C PRO A 78 -5.248 8.763 -11.658 1.00 1.02 C ATOM 1268 O PRO A 78 -6.067 8.685 -12.572 1.00 1.34 O ATOM 1269 CB PRO A 78 -4.879 6.287 -11.590 1.00 1.43 C ATOM 1270 CG PRO A 78 -6.301 5.829 -11.674 1.00 1.60 C ATOM 1271 CD PRO A 78 -6.990 6.322 -10.427 1.00 1.20 C ATOM 0 HA PRO A 78 -4.018 7.837 -10.258 1.00 0.99 H new ATOM 0 HB2 PRO A 78 -4.462 6.474 -12.580 1.00 1.43 H new ATOM 0 HB3 PRO A 78 -4.247 5.537 -11.114 1.00 1.43 H new ATOM 0 HG2 PRO A 78 -6.784 6.228 -12.566 1.00 1.60 H new ATOM 0 HG3 PRO A 78 -6.354 4.742 -11.742 1.00 1.60 H new ATOM 0 HD2 PRO A 78 -7.933 6.816 -10.660 1.00 1.20 H new ATOM 0 HD3 PRO A 78 -7.219 5.502 -9.746 1.00 1.20 H new ATOM 1279 N GLN A 79 -4.570 9.864 -11.411 1.00 1.17 N ATOM 1280 CA GLN A 79 -4.745 11.076 -12.203 1.00 1.56 C ATOM 1281 C GLN A 79 -4.064 10.913 -13.568 1.00 1.66 C ATOM 1282 O GLN A 79 -4.106 11.792 -14.429 1.00 2.02 O ATOM 1283 CB GLN A 79 -4.130 12.278 -11.479 1.00 2.04 C ATOM 1284 CG GLN A 79 -2.602 12.236 -11.365 1.00 2.20 C ATOM 1285 CD GLN A 79 -2.088 11.026 -10.625 1.00 2.84 C ATOM 1286 OE1 GLN A 79 -2.572 10.684 -9.551 1.00 3.22 O ATOM 1287 NE2 GLN A 79 -1.097 10.375 -11.202 1.00 3.46 N ATOM 0 H GLN A 79 -3.884 9.950 -10.661 1.00 1.17 H new ATOM 0 HA GLN A 79 -5.813 11.245 -12.342 1.00 1.56 H new ATOM 0 HB2 GLN A 79 -4.418 13.189 -12.004 1.00 2.04 H new ATOM 0 HB3 GLN A 79 -4.555 12.340 -10.477 1.00 2.04 H new ATOM 0 HG2 GLN A 79 -2.170 12.251 -12.366 1.00 2.20 H new ATOM 0 HG3 GLN A 79 -2.258 13.137 -10.856 1.00 2.20 H new ATOM 0 HE21 GLN A 79 -0.727 10.698 -12.096 1.00 3.46 H new ATOM 0 HE22 GLN A 79 -0.700 9.549 -10.754 1.00 3.46 H new ATOM 1296 N GLU A 80 -3.445 9.756 -13.754 1.00 1.50 N ATOM 1297 CA GLU A 80 -2.757 9.417 -14.982 1.00 1.81 C ATOM 1298 C GLU A 80 -3.144 8.008 -15.413 1.00 1.62 C ATOM 1299 O GLU A 80 -2.991 7.051 -14.648 1.00 1.78 O ATOM 1300 CB GLU A 80 -1.246 9.520 -14.773 1.00 2.37 C ATOM 1301 CG GLU A 80 -0.761 10.947 -14.557 1.00 3.06 C ATOM 1302 CD GLU A 80 0.695 11.024 -14.168 1.00 3.86 C ATOM 1303 OE1 GLU A 80 1.012 10.867 -12.968 1.00 4.42 O ATOM 1304 OE2 GLU A 80 1.545 11.226 -15.056 1.00 4.35 O ATOM 0 H GLU A 80 -3.408 9.022 -13.047 1.00 1.50 H new ATOM 0 HA GLU A 80 -3.047 10.115 -15.768 1.00 1.81 H new ATOM 0 HB2 GLU A 80 -0.964 8.914 -13.912 1.00 2.37 H new ATOM 0 HB3 GLU A 80 -0.737 9.099 -15.640 1.00 2.37 H new ATOM 0 HG2 GLU A 80 -0.918 11.520 -15.471 1.00 3.06 H new ATOM 0 HG3 GLU A 80 -1.364 11.416 -13.779 1.00 3.06 H new ATOM 1311 N PRO A 81 -3.676 7.871 -16.642 1.00 1.93 N ATOM 1312 CA PRO A 81 -4.101 6.580 -17.185 1.00 2.28 C ATOM 1313 C PRO A 81 -2.973 5.558 -17.173 1.00 2.24 C ATOM 1314 O PRO A 81 -1.946 5.745 -17.827 1.00 2.80 O ATOM 1315 CB PRO A 81 -4.516 6.898 -18.628 1.00 2.89 C ATOM 1316 CG PRO A 81 -4.775 8.364 -18.651 1.00 3.10 C ATOM 1317 CD PRO A 81 -3.883 8.971 -17.601 1.00 2.53 C ATOM 0 HA PRO A 81 -4.903 6.139 -16.593 1.00 2.28 H new ATOM 0 HB2 PRO A 81 -3.729 6.627 -19.332 1.00 2.89 H new ATOM 0 HB3 PRO A 81 -5.406 6.337 -18.913 1.00 2.89 H new ATOM 0 HG2 PRO A 81 -4.557 8.781 -19.634 1.00 3.10 H new ATOM 0 HG3 PRO A 81 -5.823 8.576 -18.440 1.00 3.10 H new ATOM 0 HD2 PRO A 81 -2.940 9.315 -18.026 1.00 2.53 H new ATOM 0 HD3 PRO A 81 -4.352 9.833 -17.127 1.00 2.53 H new ATOM 1325 N GLY A 82 -3.147 4.488 -16.402 1.00 1.99 N ATOM 1326 CA GLY A 82 -2.115 3.461 -16.315 1.00 2.10 C ATOM 1327 C GLY A 82 -2.034 2.854 -14.924 1.00 1.96 C ATOM 1328 O GLY A 82 -1.681 1.682 -14.752 1.00 2.51 O ATOM 0 H GLY A 82 -3.978 4.311 -15.838 1.00 1.99 H new ATOM 0 HA2 GLY A 82 -2.322 2.676 -17.042 1.00 2.10 H new ATOM 0 HA3 GLY A 82 -1.150 3.893 -16.579 1.00 2.10 H new ATOM 1332 N LEU A 83 -2.383 3.658 -13.932 1.00 1.57 N ATOM 1333 CA LEU A 83 -2.385 3.213 -12.551 1.00 1.40 C ATOM 1334 C LEU A 83 -3.765 2.682 -12.182 1.00 1.22 C ATOM 1335 O LEU A 83 -4.785 3.247 -12.588 1.00 1.13 O ATOM 1336 CB LEU A 83 -1.999 4.368 -11.614 1.00 1.31 C ATOM 1337 CG LEU A 83 -0.566 4.874 -11.755 1.00 1.47 C ATOM 1338 CD1 LEU A 83 -0.324 6.052 -10.822 1.00 1.26 C ATOM 1339 CD2 LEU A 83 0.416 3.757 -11.476 1.00 1.86 C ATOM 0 H LEU A 83 -2.670 4.628 -14.061 1.00 1.57 H new ATOM 0 HA LEU A 83 -1.651 2.415 -12.439 1.00 1.40 H new ATOM 0 HB2 LEU A 83 -2.680 5.201 -11.792 1.00 1.31 H new ATOM 0 HB3 LEU A 83 -2.153 4.045 -10.584 1.00 1.31 H new ATOM 0 HG LEU A 83 -0.415 5.215 -12.779 1.00 1.47 H new ATOM 0 HD11 LEU A 83 0.703 6.401 -10.935 1.00 1.26 H new ATOM 0 HD12 LEU A 83 -1.011 6.860 -11.071 1.00 1.26 H new ATOM 0 HD13 LEU A 83 -0.490 5.740 -9.791 1.00 1.26 H new ATOM 0 HD21 LEU A 83 1.434 4.133 -11.580 1.00 1.86 H new ATOM 0 HD22 LEU A 83 0.268 3.387 -10.461 1.00 1.86 H new ATOM 0 HD23 LEU A 83 0.255 2.945 -12.185 1.00 1.86 H new ATOM 1351 N PRO A 84 -3.815 1.572 -11.421 1.00 1.33 N ATOM 1352 CA PRO A 84 -5.081 0.968 -10.997 1.00 1.29 C ATOM 1353 C PRO A 84 -5.764 1.805 -9.914 1.00 1.09 C ATOM 1354 O PRO A 84 -5.103 2.401 -9.072 1.00 1.15 O ATOM 1355 CB PRO A 84 -4.653 -0.399 -10.450 1.00 1.58 C ATOM 1356 CG PRO A 84 -3.245 -0.205 -9.994 1.00 1.75 C ATOM 1357 CD PRO A 84 -2.643 0.818 -10.918 1.00 1.64 C ATOM 0 HA PRO A 84 -5.808 0.897 -11.806 1.00 1.29 H new ATOM 0 HB2 PRO A 84 -5.295 -0.714 -9.627 1.00 1.58 H new ATOM 0 HB3 PRO A 84 -4.717 -1.170 -11.218 1.00 1.58 H new ATOM 0 HG2 PRO A 84 -3.214 0.138 -8.960 1.00 1.75 H new ATOM 0 HG3 PRO A 84 -2.690 -1.142 -10.035 1.00 1.75 H new ATOM 0 HD2 PRO A 84 -1.944 1.469 -10.393 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -2.091 0.347 -11.731 1.00 1.64 H new ATOM 1365 N SER A 85 -7.081 1.825 -9.930 1.00 0.99 N ATOM 1366 CA SER A 85 -7.839 2.573 -8.940 1.00 0.88 C ATOM 1367 C SER A 85 -8.592 1.600 -8.050 1.00 0.63 C ATOM 1368 O SER A 85 -9.498 0.911 -8.497 1.00 0.82 O ATOM 1369 CB SER A 85 -8.794 3.560 -9.616 1.00 1.23 C ATOM 1370 OG SER A 85 -9.316 3.020 -10.816 1.00 1.43 O ATOM 0 H SER A 85 -7.652 1.332 -10.617 1.00 0.99 H new ATOM 0 HA SER A 85 -7.154 3.157 -8.326 1.00 0.88 H new ATOM 0 HB2 SER A 85 -9.611 3.804 -8.937 1.00 1.23 H new ATOM 0 HB3 SER A 85 -8.269 4.491 -9.830 1.00 1.23 H new ATOM 0 HG SER A 85 -9.925 3.668 -11.229 1.00 1.43 H new ATOM 1376 N PHE A 86 -8.194 1.531 -6.799 1.00 0.53 N ATOM 1377 CA PHE A 86 -8.814 0.617 -5.865 1.00 0.64 C ATOM 1378 C PHE A 86 -9.002 1.278 -4.513 1.00 0.57 C ATOM 1379 O PHE A 86 -8.614 2.430 -4.323 1.00 0.63 O ATOM 1380 CB PHE A 86 -7.964 -0.650 -5.721 1.00 1.04 C ATOM 1381 CG PHE A 86 -6.684 -0.479 -4.971 1.00 0.74 C ATOM 1382 CD1 PHE A 86 -5.698 0.367 -5.434 1.00 1.30 C ATOM 1383 CD2 PHE A 86 -6.485 -1.155 -3.794 1.00 1.41 C ATOM 1384 CE1 PHE A 86 -4.512 0.514 -4.751 1.00 1.36 C ATOM 1385 CE2 PHE A 86 -5.302 -1.021 -3.102 1.00 1.36 C ATOM 1386 CZ PHE A 86 -4.315 -0.172 -3.573 1.00 0.75 C ATOM 0 H PHE A 86 -7.443 2.097 -6.404 1.00 0.53 H new ATOM 0 HA PHE A 86 -9.795 0.342 -6.253 1.00 0.64 H new ATOM 0 HB2 PHE A 86 -8.560 -1.412 -5.220 1.00 1.04 H new ATOM 0 HB3 PHE A 86 -7.734 -1.029 -6.717 1.00 1.04 H new ATOM 0 HD1 PHE A 86 -5.859 0.922 -6.346 1.00 1.30 H new ATOM 0 HD2 PHE A 86 -7.262 -1.797 -3.407 1.00 1.41 H new ATOM 0 HE1 PHE A 86 -3.740 1.164 -5.137 1.00 1.36 H new ATOM 0 HE2 PHE A 86 -5.144 -1.579 -2.191 1.00 1.36 H new ATOM 0 HZ PHE A 86 -3.396 -0.048 -3.020 1.00 0.75 H new ATOM 1396 N ARG A 87 -9.593 0.553 -3.575 1.00 0.60 N ATOM 1397 CA ARG A 87 -9.813 1.085 -2.254 1.00 0.57 C ATOM 1398 C ARG A 87 -9.306 0.092 -1.233 1.00 0.57 C ATOM 1399 O ARG A 87 -9.427 -1.114 -1.434 1.00 0.79 O ATOM 1400 CB ARG A 87 -11.308 1.330 -2.020 1.00 0.68 C ATOM 1401 CG ARG A 87 -12.090 1.689 -3.272 1.00 1.18 C ATOM 1402 CD ARG A 87 -13.532 1.246 -3.149 1.00 1.24 C ATOM 1403 NE ARG A 87 -14.341 1.618 -4.305 1.00 1.36 N ATOM 1404 CZ ARG A 87 -15.623 1.297 -4.429 1.00 1.70 C ATOM 1405 NH1 ARG A 87 -16.216 0.554 -3.504 1.00 2.00 N ATOM 1406 NH2 ARG A 87 -16.283 1.629 -5.524 1.00 2.41 N ATOM 0 H ARG A 87 -9.925 -0.402 -3.711 1.00 0.60 H new ATOM 0 HA ARG A 87 -9.281 2.031 -2.157 1.00 0.57 H new ATOM 0 HB2 ARG A 87 -11.745 0.435 -1.578 1.00 0.68 H new ATOM 0 HB3 ARG A 87 -11.422 2.133 -1.292 1.00 0.68 H new ATOM 0 HG2 ARG A 87 -12.048 2.766 -3.436 1.00 1.18 H new ATOM 0 HG3 ARG A 87 -11.632 1.216 -4.141 1.00 1.18 H new ATOM 0 HD2 ARG A 87 -13.565 0.164 -3.022 1.00 1.24 H new ATOM 0 HD3 ARG A 87 -13.967 1.686 -2.251 1.00 1.24 H new ATOM 0 HE ARG A 87 -13.900 2.151 -5.055 1.00 1.36 H new ATOM 0 HH11 ARG A 87 -15.687 0.228 -2.695 1.00 2.00 H new ATOM 0 HH12 ARG A 87 -17.201 0.309 -3.601 1.00 2.00 H new ATOM 0 HH21 ARG A 87 -15.807 2.132 -6.273 1.00 2.41 H new ATOM 0 HH22 ARG A 87 -17.268 1.383 -5.620 1.00 2.41 H new ATOM 1420 N ILE A 88 -8.727 0.583 -0.151 1.00 0.52 N ATOM 1421 CA ILE A 88 -8.209 -0.302 0.874 1.00 0.54 C ATOM 1422 C ILE A 88 -8.666 0.091 2.266 1.00 0.59 C ATOM 1423 O ILE A 88 -8.499 1.226 2.710 1.00 0.68 O ATOM 1424 CB ILE A 88 -6.667 -0.425 0.851 1.00 0.59 C ATOM 1425 CG1 ILE A 88 -6.014 0.925 0.518 1.00 0.63 C ATOM 1426 CG2 ILE A 88 -6.244 -1.508 -0.126 1.00 0.65 C ATOM 1427 CD1 ILE A 88 -4.507 0.888 0.517 1.00 0.74 C ATOM 0 H ILE A 88 -8.605 1.578 0.038 1.00 0.52 H new ATOM 0 HA ILE A 88 -8.627 -1.279 0.632 1.00 0.54 H new ATOM 0 HB ILE A 88 -6.323 -0.713 1.844 1.00 0.59 H new ATOM 0 HG12 ILE A 88 -6.361 1.254 -0.462 1.00 0.63 H new ATOM 0 HG13 ILE A 88 -6.349 1.668 1.241 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -5.157 -1.586 -0.134 1.00 0.65 H new ATOM 0 HG22 ILE A 88 -6.674 -2.462 0.180 1.00 0.65 H new ATOM 0 HG23 ILE A 88 -6.597 -1.254 -1.126 1.00 0.65 H new ATOM 0 HD11 ILE A 88 -4.119 1.877 0.274 1.00 0.74 H new ATOM 0 HD12 ILE A 88 -4.150 0.591 1.503 1.00 0.74 H new ATOM 0 HD13 ILE A 88 -4.161 0.170 -0.226 1.00 0.74 H new ATOM 1439 N LYS A 89 -9.224 -0.889 2.974 1.00 0.62 N ATOM 1440 CA LYS A 89 -9.668 -0.724 4.330 1.00 0.74 C ATOM 1441 C LYS A 89 -9.101 -1.909 5.081 1.00 0.85 C ATOM 1442 O LYS A 89 -8.807 -2.932 4.444 1.00 0.96 O ATOM 1443 CB LYS A 89 -11.208 -0.670 4.427 1.00 0.95 C ATOM 1444 CG LYS A 89 -11.909 -1.996 4.178 1.00 1.31 C ATOM 1445 CD LYS A 89 -13.303 -1.989 4.786 1.00 1.68 C ATOM 1446 CE LYS A 89 -13.952 -3.355 4.724 1.00 1.89 C ATOM 1447 NZ LYS A 89 -15.262 -3.361 5.425 1.00 2.46 N ATOM 0 H LYS A 89 -9.376 -1.827 2.604 1.00 0.62 H new ATOM 0 HA LYS A 89 -9.325 0.221 4.751 1.00 0.74 H new ATOM 0 HB2 LYS A 89 -11.483 -0.310 5.418 1.00 0.95 H new ATOM 0 HB3 LYS A 89 -11.578 0.061 3.708 1.00 0.95 H new ATOM 0 HG2 LYS A 89 -11.975 -2.182 3.106 1.00 1.31 H new ATOM 0 HG3 LYS A 89 -11.324 -2.809 4.607 1.00 1.31 H new ATOM 0 HD2 LYS A 89 -13.245 -1.661 5.824 1.00 1.68 H new ATOM 0 HD3 LYS A 89 -13.926 -1.267 4.258 1.00 1.68 H new ATOM 0 HE2 LYS A 89 -14.092 -3.647 3.683 1.00 1.89 H new ATOM 0 HE3 LYS A 89 -13.292 -4.095 5.176 1.00 1.89 H new ATOM 0 HZ1 LYS A 89 -15.643 -4.328 5.440 1.00 2.46 H new ATOM 0 HZ2 LYS A 89 -15.135 -3.024 6.401 1.00 2.46 H new ATOM 0 HZ3 LYS A 89 -15.926 -2.735 4.926 1.00 2.46 H new ATOM 1461 N PRO A 90 -8.895 -1.808 6.401 1.00 1.06 N ATOM 1462 CA PRO A 90 -8.313 -2.893 7.178 1.00 1.30 C ATOM 1463 C PRO A 90 -8.963 -4.246 6.884 1.00 1.47 C ATOM 1464 O PRO A 90 -8.263 -5.239 6.668 1.00 1.94 O ATOM 1465 CB PRO A 90 -8.543 -2.457 8.636 1.00 1.59 C ATOM 1466 CG PRO A 90 -8.602 -0.979 8.581 1.00 1.77 C ATOM 1467 CD PRO A 90 -9.178 -0.621 7.232 1.00 1.29 C ATOM 0 HA PRO A 90 -7.261 -3.048 6.939 1.00 1.30 H new ATOM 0 HB2 PRO A 90 -9.468 -2.876 9.033 1.00 1.59 H new ATOM 0 HB3 PRO A 90 -7.735 -2.797 9.283 1.00 1.59 H new ATOM 0 HG2 PRO A 90 -9.224 -0.586 9.385 1.00 1.77 H new ATOM 0 HG3 PRO A 90 -7.609 -0.547 8.706 1.00 1.77 H new ATOM 0 HD2 PRO A 90 -10.248 -0.422 7.294 1.00 1.29 H new ATOM 0 HD3 PRO A 90 -8.711 0.275 6.822 1.00 1.29 H new ATOM 1475 N LYS A 91 -10.296 -4.272 6.852 1.00 1.40 N ATOM 1476 CA LYS A 91 -11.064 -5.481 6.578 1.00 1.72 C ATOM 1477 C LYS A 91 -10.552 -6.659 7.415 1.00 2.02 C ATOM 1478 O LYS A 91 -10.504 -7.799 6.951 1.00 2.48 O ATOM 1479 CB LYS A 91 -10.998 -5.827 5.091 1.00 1.95 C ATOM 1480 CG LYS A 91 -12.348 -6.154 4.457 1.00 2.50 C ATOM 1481 CD LYS A 91 -12.944 -7.441 4.989 1.00 2.94 C ATOM 1482 CE LYS A 91 -12.234 -8.647 4.427 1.00 3.58 C ATOM 1483 NZ LYS A 91 -12.855 -9.915 4.870 1.00 4.13 N ATOM 0 H LYS A 91 -10.874 -3.448 7.017 1.00 1.40 H new ATOM 0 HA LYS A 91 -12.102 -5.291 6.853 1.00 1.72 H new ATOM 0 HB2 LYS A 91 -10.553 -4.989 4.555 1.00 1.95 H new ATOM 0 HB3 LYS A 91 -10.332 -6.680 4.958 1.00 1.95 H new ATOM 0 HG2 LYS A 91 -13.041 -5.333 4.642 1.00 2.50 H new ATOM 0 HG3 LYS A 91 -12.228 -6.233 3.376 1.00 2.50 H new ATOM 0 HD2 LYS A 91 -12.879 -7.452 6.077 1.00 2.94 H new ATOM 0 HD3 LYS A 91 -14.002 -7.487 4.733 1.00 2.94 H new ATOM 0 HE2 LYS A 91 -12.246 -8.599 3.338 1.00 3.58 H new ATOM 0 HE3 LYS A 91 -11.189 -8.628 4.736 1.00 3.58 H new ATOM 0 HZ1 LYS A 91 -12.461 -10.705 4.321 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 -12.658 -10.063 5.880 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 -13.883 -9.869 4.721 1.00 4.13 H new ATOM 1497 N ASP A 92 -10.098 -6.364 8.613 1.00 2.34 N ATOM 1498 CA ASP A 92 -9.545 -7.397 9.479 1.00 2.92 C ATOM 1499 C ASP A 92 -10.392 -7.592 10.723 1.00 2.79 C ATOM 1500 O ASP A 92 -11.214 -8.507 10.768 1.00 3.27 O ATOM 1501 CB ASP A 92 -8.098 -7.040 9.832 1.00 3.81 C ATOM 1502 CG ASP A 92 -7.247 -8.267 10.083 1.00 4.45 C ATOM 1503 OD1 ASP A 92 -7.759 -9.398 9.917 1.00 5.11 O ATOM 1504 OD2 ASP A 92 -6.063 -8.112 10.444 1.00 4.67 O ATOM 0 H ASP A 92 -10.098 -5.426 9.013 1.00 2.34 H new ATOM 0 HA ASP A 92 -9.553 -8.348 8.946 1.00 2.92 H new ATOM 0 HB2 ASP A 92 -7.662 -6.458 9.020 1.00 3.81 H new ATOM 0 HB3 ASP A 92 -8.089 -6.407 10.719 1.00 3.81 H new ATOM 1509 N PHE A 93 -10.205 -6.749 11.731 1.00 2.71 N ATOM 1510 CA PHE A 93 -10.975 -6.863 12.966 1.00 2.95 C ATOM 1511 C PHE A 93 -11.570 -5.518 13.365 1.00 3.05 C ATOM 1512 O PHE A 93 -11.578 -4.572 12.578 1.00 3.30 O ATOM 1513 CB PHE A 93 -10.114 -7.369 14.120 1.00 3.27 C ATOM 1514 CG PHE A 93 -9.397 -8.657 13.858 1.00 3.84 C ATOM 1515 CD1 PHE A 93 -8.159 -8.653 13.253 1.00 4.41 C ATOM 1516 CD2 PHE A 93 -9.960 -9.867 14.226 1.00 4.40 C ATOM 1517 CE1 PHE A 93 -7.486 -9.833 13.016 1.00 5.31 C ATOM 1518 CE2 PHE A 93 -9.294 -11.054 13.993 1.00 5.30 C ATOM 1519 CZ PHE A 93 -8.054 -11.040 13.391 1.00 5.69 C ATOM 0 H PHE A 93 -9.532 -5.983 11.720 1.00 2.71 H new ATOM 0 HA PHE A 93 -11.773 -7.579 12.770 1.00 2.95 H new ATOM 0 HB2 PHE A 93 -9.377 -6.604 14.366 1.00 3.27 H new ATOM 0 HB3 PHE A 93 -10.748 -7.496 14.998 1.00 3.27 H new ATOM 0 HD1 PHE A 93 -7.711 -7.715 12.961 1.00 4.41 H new ATOM 0 HD2 PHE A 93 -10.930 -9.883 14.700 1.00 4.40 H new ATOM 0 HE1 PHE A 93 -6.517 -9.816 12.539 1.00 5.31 H new ATOM 0 HE2 PHE A 93 -9.744 -11.992 14.282 1.00 5.30 H new ATOM 0 HZ PHE A 93 -7.527 -11.966 13.212 1.00 5.69 H new ATOM 1529 N GLU A 94 -12.044 -5.433 14.601 1.00 3.44 N ATOM 1530 CA GLU A 94 -12.619 -4.203 15.113 1.00 3.96 C ATOM 1531 C GLU A 94 -11.523 -3.310 15.681 1.00 3.75 C ATOM 1532 O GLU A 94 -11.535 -2.092 15.495 1.00 4.15 O ATOM 1533 CB GLU A 94 -13.671 -4.491 16.192 1.00 4.82 C ATOM 1534 CG GLU A 94 -14.477 -3.259 16.581 1.00 5.73 C ATOM 1535 CD GLU A 94 -15.493 -3.541 17.660 1.00 6.51 C ATOM 1536 OE1 GLU A 94 -16.430 -4.329 17.410 1.00 6.69 O ATOM 1537 OE2 GLU A 94 -15.347 -2.998 18.775 1.00 7.20 O ATOM 0 H GLU A 94 -12.040 -6.206 15.267 1.00 3.44 H new ATOM 0 HA GLU A 94 -13.110 -3.690 14.286 1.00 3.96 H new ATOM 0 HB2 GLU A 94 -14.350 -5.264 15.832 1.00 4.82 H new ATOM 0 HB3 GLU A 94 -13.176 -4.889 17.078 1.00 4.82 H new ATOM 0 HG2 GLU A 94 -13.797 -2.479 16.924 1.00 5.73 H new ATOM 0 HG3 GLU A 94 -14.988 -2.872 15.700 1.00 5.73 H new ATOM 1544 N THR A 95 -10.567 -3.918 16.366 1.00 3.56 N ATOM 1545 CA THR A 95 -9.461 -3.183 16.954 1.00 3.57 C ATOM 1546 C THR A 95 -8.414 -2.860 15.893 1.00 3.11 C ATOM 1547 O THR A 95 -7.363 -2.278 16.166 1.00 3.46 O ATOM 1548 CB THR A 95 -8.850 -3.982 18.097 1.00 4.37 C ATOM 1549 OG1 THR A 95 -9.871 -4.647 18.814 1.00 4.92 O ATOM 1550 CG2 THR A 95 -8.093 -3.125 19.082 1.00 4.79 C ATOM 0 H THR A 95 -10.536 -4.925 16.528 1.00 3.56 H new ATOM 0 HA THR A 95 -9.836 -2.242 17.356 1.00 3.57 H new ATOM 0 HB THR A 95 -8.151 -4.681 17.637 1.00 4.37 H new ATOM 0 HG1 THR A 95 -9.474 -5.161 19.548 1.00 4.92 H new ATOM 0 HG21 THR A 95 -7.682 -3.754 19.872 1.00 4.79 H new ATOM 0 HG22 THR A 95 -7.281 -2.611 18.568 1.00 4.79 H new ATOM 0 HG23 THR A 95 -8.769 -2.389 19.519 1.00 4.79 H new ATOM 1558 N SER A 96 -8.734 -3.208 14.662 1.00 2.83 N ATOM 1559 CA SER A 96 -7.859 -2.927 13.537 1.00 2.92 C ATOM 1560 C SER A 96 -8.074 -1.484 13.092 1.00 2.63 C ATOM 1561 O SER A 96 -7.456 -1.003 12.147 1.00 2.95 O ATOM 1562 CB SER A 96 -8.119 -3.925 12.401 1.00 3.49 C ATOM 1563 OG SER A 96 -7.981 -5.259 12.874 1.00 4.05 O ATOM 0 H SER A 96 -9.598 -3.689 14.413 1.00 2.83 H new ATOM 0 HA SER A 96 -6.816 -3.044 13.831 1.00 2.92 H new ATOM 0 HB2 SER A 96 -9.121 -3.776 12.000 1.00 3.49 H new ATOM 0 HB3 SER A 96 -7.419 -3.747 11.585 1.00 3.49 H new ATOM 0 HG SER A 96 -7.101 -5.607 12.619 1.00 4.05 H new ATOM 1569 N GLU A 97 -8.937 -0.793 13.841 1.00 2.52 N ATOM 1570 CA GLU A 97 -9.229 0.617 13.607 1.00 2.71 C ATOM 1571 C GLU A 97 -7.974 1.429 13.869 1.00 2.41 C ATOM 1572 O GLU A 97 -7.576 2.264 13.061 1.00 2.64 O ATOM 1573 CB GLU A 97 -10.343 1.050 14.560 1.00 3.26 C ATOM 1574 CG GLU A 97 -11.162 2.250 14.114 1.00 3.93 C ATOM 1575 CD GLU A 97 -10.401 3.550 14.134 1.00 4.42 C ATOM 1576 OE1 GLU A 97 -10.411 4.225 15.178 1.00 4.86 O ATOM 1577 OE2 GLU A 97 -9.786 3.904 13.108 1.00 4.75 O ATOM 0 H GLU A 97 -9.450 -1.197 14.624 1.00 2.52 H new ATOM 0 HA GLU A 97 -9.550 0.777 12.578 1.00 2.71 H new ATOM 0 HB2 GLU A 97 -11.018 0.207 14.707 1.00 3.26 H new ATOM 0 HB3 GLU A 97 -9.899 1.276 15.530 1.00 3.26 H new ATOM 0 HG2 GLU A 97 -11.530 2.071 13.104 1.00 3.93 H new ATOM 0 HG3 GLU A 97 -12.035 2.342 14.760 1.00 3.93 H new ATOM 1584 N TYR A 98 -7.315 1.176 14.989 1.00 2.15 N ATOM 1585 CA TYR A 98 -6.096 1.889 15.316 1.00 1.95 C ATOM 1586 C TYR A 98 -4.982 1.496 14.356 1.00 1.56 C ATOM 1587 O TYR A 98 -3.989 2.209 14.211 1.00 1.45 O ATOM 1588 CB TYR A 98 -5.684 1.626 16.756 1.00 2.16 C ATOM 1589 CG TYR A 98 -6.433 2.483 17.744 1.00 2.85 C ATOM 1590 CD1 TYR A 98 -7.819 2.418 17.839 1.00 3.28 C ATOM 1591 CD2 TYR A 98 -5.754 3.365 18.580 1.00 3.63 C ATOM 1592 CE1 TYR A 98 -8.512 3.203 18.724 1.00 4.19 C ATOM 1593 CE2 TYR A 98 -6.441 4.158 19.477 1.00 4.46 C ATOM 1594 CZ TYR A 98 -7.818 4.075 19.550 1.00 4.66 C ATOM 1595 OH TYR A 98 -8.501 4.863 20.448 1.00 5.65 O ATOM 0 H TYR A 98 -7.604 0.486 15.682 1.00 2.15 H new ATOM 0 HA TYR A 98 -6.283 2.958 15.211 1.00 1.95 H new ATOM 0 HB2 TYR A 98 -5.854 0.575 16.991 1.00 2.16 H new ATOM 0 HB3 TYR A 98 -4.614 1.808 16.862 1.00 2.16 H new ATOM 0 HD1 TYR A 98 -8.361 1.735 17.202 1.00 3.28 H new ATOM 0 HD2 TYR A 98 -4.677 3.430 18.526 1.00 3.63 H new ATOM 0 HE1 TYR A 98 -9.589 3.143 18.778 1.00 4.19 H new ATOM 0 HE2 TYR A 98 -5.904 4.841 20.119 1.00 4.46 H new ATOM 0 HH TYR A 98 -7.865 5.415 20.949 1.00 5.65 H new ATOM 1605 N VAL A 99 -5.206 0.400 13.647 1.00 1.54 N ATOM 1606 CA VAL A 99 -4.270 -0.042 12.624 1.00 1.34 C ATOM 1607 C VAL A 99 -4.551 0.799 11.384 1.00 1.17 C ATOM 1608 O VAL A 99 -3.646 1.221 10.670 1.00 1.04 O ATOM 1609 CB VAL A 99 -4.395 -1.547 12.292 1.00 1.65 C ATOM 1610 CG1 VAL A 99 -3.297 -1.943 11.321 1.00 1.76 C ATOM 1611 CG2 VAL A 99 -4.311 -2.403 13.564 1.00 1.91 C ATOM 0 H VAL A 99 -6.025 -0.198 13.760 1.00 1.54 H new ATOM 0 HA VAL A 99 -3.251 0.090 12.989 1.00 1.34 H new ATOM 0 HB VAL A 99 -5.369 -1.723 11.834 1.00 1.65 H new ATOM 0 HG11 VAL A 99 -3.384 -3.004 11.086 1.00 1.76 H new ATOM 0 HG12 VAL A 99 -3.393 -1.360 10.405 1.00 1.76 H new ATOM 0 HG13 VAL A 99 -2.324 -1.750 11.773 1.00 1.76 H new ATOM 0 HG21 VAL A 99 -4.402 -3.457 13.300 1.00 1.91 H new ATOM 0 HG22 VAL A 99 -3.352 -2.233 14.054 1.00 1.91 H new ATOM 0 HG23 VAL A 99 -5.119 -2.128 14.242 1.00 1.91 H new ATOM 1621 N ARG A 100 -5.841 1.082 11.180 1.00 1.36 N ATOM 1622 CA ARG A 100 -6.300 1.921 10.088 1.00 1.42 C ATOM 1623 C ARG A 100 -5.731 3.315 10.267 1.00 1.31 C ATOM 1624 O ARG A 100 -5.175 3.898 9.346 1.00 1.31 O ATOM 1625 CB ARG A 100 -7.824 1.998 10.044 1.00 1.78 C ATOM 1626 CG ARG A 100 -8.312 2.786 8.840 1.00 2.37 C ATOM 1627 CD ARG A 100 -9.724 2.415 8.411 1.00 3.01 C ATOM 1628 NE ARG A 100 -10.537 1.735 9.433 1.00 3.48 N ATOM 1629 CZ ARG A 100 -11.190 2.352 10.417 1.00 4.17 C ATOM 1630 NH1 ARG A 100 -10.858 3.583 10.754 1.00 4.49 N ATOM 1631 NH2 ARG A 100 -11.981 1.655 11.217 1.00 4.93 N ATOM 0 H ARG A 100 -6.592 0.731 11.774 1.00 1.36 H new ATOM 0 HA ARG A 100 -5.958 1.484 9.150 1.00 1.42 H new ATOM 0 HB2 ARG A 100 -8.239 0.990 10.012 1.00 1.78 H new ATOM 0 HB3 ARG A 100 -8.191 2.465 10.958 1.00 1.78 H new ATOM 0 HG2 ARG A 100 -8.278 3.850 9.073 1.00 2.37 H new ATOM 0 HG3 ARG A 100 -7.631 2.620 8.005 1.00 2.37 H new ATOM 0 HD2 ARG A 100 -10.243 3.323 8.104 1.00 3.01 H new ATOM 0 HD3 ARG A 100 -9.662 1.771 7.534 1.00 3.01 H new ATOM 0 HE ARG A 100 -10.605 0.718 9.384 1.00 3.48 H new ATOM 0 HH11 ARG A 100 -10.103 4.060 10.262 1.00 4.49 H new ATOM 0 HH12 ARG A 100 -11.356 4.058 11.507 1.00 4.49 H new ATOM 0 HH21 ARG A 100 -12.089 0.650 11.079 1.00 4.93 H new ATOM 0 HH22 ARG A 100 -12.483 2.123 11.972 1.00 4.93 H new ATOM 1645 N LYS A 101 -5.868 3.837 11.471 1.00 1.34 N ATOM 1646 CA LYS A 101 -5.353 5.157 11.775 1.00 1.43 C ATOM 1647 C LYS A 101 -3.834 5.215 11.614 1.00 1.27 C ATOM 1648 O LYS A 101 -3.280 6.256 11.254 1.00 1.40 O ATOM 1649 CB LYS A 101 -5.768 5.554 13.188 1.00 1.68 C ATOM 1650 CG LYS A 101 -7.180 6.097 13.233 1.00 2.35 C ATOM 1651 CD LYS A 101 -7.642 6.350 14.653 1.00 2.61 C ATOM 1652 CE LYS A 101 -8.867 7.243 14.663 1.00 2.79 C ATOM 1653 NZ LYS A 101 -10.047 6.569 14.096 1.00 3.24 N ATOM 0 H LYS A 101 -6.330 3.369 12.251 1.00 1.34 H new ATOM 0 HA LYS A 101 -5.778 5.868 11.066 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -5.692 4.688 13.845 1.00 1.68 H new ATOM 0 HB3 LYS A 101 -5.078 6.306 13.571 1.00 1.68 H new ATOM 0 HG2 LYS A 101 -7.230 7.025 12.664 1.00 2.35 H new ATOM 0 HG3 LYS A 101 -7.856 5.391 12.751 1.00 2.35 H new ATOM 0 HD2 LYS A 101 -7.872 5.403 15.141 1.00 2.61 H new ATOM 0 HD3 LYS A 101 -6.840 6.817 15.225 1.00 2.61 H new ATOM 0 HE2 LYS A 101 -9.082 7.551 15.686 1.00 2.79 H new ATOM 0 HE3 LYS A 101 -8.659 8.149 14.094 1.00 2.79 H new ATOM 0 HZ1 LYS A 101 -10.748 7.281 13.808 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -9.762 6.009 13.268 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -10.465 5.941 14.812 1.00 3.24 H new ATOM 1667 N ALA A 102 -3.165 4.084 11.847 1.00 1.11 N ATOM 1668 CA ALA A 102 -1.710 4.003 11.706 1.00 1.11 C ATOM 1669 C ALA A 102 -1.296 4.063 10.238 1.00 0.99 C ATOM 1670 O ALA A 102 -0.162 4.411 9.916 1.00 1.28 O ATOM 1671 CB ALA A 102 -1.170 2.731 12.352 1.00 1.22 C ATOM 0 H ALA A 102 -3.608 3.211 12.134 1.00 1.11 H new ATOM 0 HA ALA A 102 -1.281 4.863 12.220 1.00 1.11 H new ATOM 0 HB1 ALA A 102 -0.087 2.694 12.234 1.00 1.22 H new ATOM 0 HB2 ALA A 102 -1.419 2.728 13.413 1.00 1.22 H new ATOM 0 HB3 ALA A 102 -1.617 1.861 11.871 1.00 1.22 H new ATOM 1677 N TRP A 103 -2.244 3.765 9.362 1.00 0.97 N ATOM 1678 CA TRP A 103 -2.022 3.810 7.926 1.00 1.01 C ATOM 1679 C TRP A 103 -2.514 5.150 7.380 1.00 0.93 C ATOM 1680 O TRP A 103 -1.908 5.708 6.470 1.00 1.00 O ATOM 1681 CB TRP A 103 -2.753 2.655 7.232 1.00 1.40 C ATOM 1682 CG TRP A 103 -1.950 1.381 7.182 1.00 0.71 C ATOM 1683 CD1 TRP A 103 -1.619 0.569 8.232 1.00 0.69 C ATOM 1684 CD2 TRP A 103 -1.357 0.789 6.019 1.00 0.61 C ATOM 1685 NE1 TRP A 103 -0.848 -0.479 7.789 1.00 1.16 N ATOM 1686 CE2 TRP A 103 -0.690 -0.378 6.431 1.00 0.92 C ATOM 1687 CE3 TRP A 103 -1.332 1.130 4.666 1.00 0.89 C ATOM 1688 CZ2 TRP A 103 -0.012 -1.205 5.533 1.00 1.30 C ATOM 1689 CZ3 TRP A 103 -0.652 0.303 3.775 1.00 0.73 C ATOM 1690 CH2 TRP A 103 -0.006 -0.850 4.216 1.00 0.98 C ATOM 0 H TRP A 103 -3.188 3.485 9.627 1.00 0.97 H new ATOM 0 HA TRP A 103 -0.955 3.706 7.727 1.00 1.01 H new ATOM 0 HB2 TRP A 103 -3.691 2.464 7.753 1.00 1.40 H new ATOM 0 HB3 TRP A 103 -3.008 2.955 6.216 1.00 1.40 H new ATOM 0 HD1 TRP A 103 -1.919 0.728 9.257 1.00 0.69 H new ATOM 0 HE1 TRP A 103 -0.456 -1.215 8.377 1.00 1.16 H new ATOM 0 HE3 TRP A 103 -1.832 2.021 4.315 1.00 0.89 H new ATOM 0 HZ2 TRP A 103 0.492 -2.098 5.871 1.00 1.30 H new ATOM 0 HZ3 TRP A 103 -0.625 0.559 2.726 1.00 0.73 H new ATOM 0 HH2 TRP A 103 0.509 -1.475 3.501 1.00 0.98 H new ATOM 1701 N LEU A 104 -3.606 5.654 7.958 1.00 0.95 N ATOM 1702 CA LEU A 104 -4.198 6.931 7.549 1.00 1.12 C ATOM 1703 C LEU A 104 -3.224 8.079 7.779 1.00 1.10 C ATOM 1704 O LEU A 104 -3.217 9.048 7.030 1.00 1.40 O ATOM 1705 CB LEU A 104 -5.489 7.185 8.325 1.00 1.35 C ATOM 1706 CG LEU A 104 -6.780 6.950 7.543 1.00 1.47 C ATOM 1707 CD1 LEU A 104 -7.864 6.366 8.437 1.00 1.69 C ATOM 1708 CD2 LEU A 104 -7.249 8.250 6.905 1.00 2.27 C ATOM 0 H LEU A 104 -4.103 5.192 8.719 1.00 0.95 H new ATOM 0 HA LEU A 104 -4.423 6.876 6.484 1.00 1.12 H new ATOM 0 HB2 LEU A 104 -5.496 6.543 9.206 1.00 1.35 H new ATOM 0 HB3 LEU A 104 -5.482 8.215 8.681 1.00 1.35 H new ATOM 0 HG LEU A 104 -6.577 6.226 6.754 1.00 1.47 H new ATOM 0 HD11 LEU A 104 -8.771 6.209 7.854 1.00 1.69 H new ATOM 0 HD12 LEU A 104 -7.525 5.413 8.844 1.00 1.69 H new ATOM 0 HD13 LEU A 104 -8.073 7.056 9.254 1.00 1.69 H new ATOM 0 HD21 LEU A 104 -8.170 8.071 6.350 1.00 2.27 H new ATOM 0 HD22 LEU A 104 -7.432 8.992 7.683 1.00 2.27 H new ATOM 0 HD23 LEU A 104 -6.481 8.619 6.225 1.00 2.27 H new ATOM 1720 N ARG A 105 -2.401 7.935 8.794 1.00 1.01 N ATOM 1721 CA ARG A 105 -1.389 8.936 9.113 1.00 1.18 C ATOM 1722 C ARG A 105 -0.307 8.918 8.041 1.00 1.08 C ATOM 1723 O ARG A 105 0.059 9.961 7.500 1.00 1.21 O ATOM 1724 CB ARG A 105 -0.797 8.653 10.490 1.00 1.38 C ATOM 1725 CG ARG A 105 0.278 9.635 10.906 1.00 2.01 C ATOM 1726 CD ARG A 105 0.861 9.262 12.258 1.00 2.29 C ATOM 1727 NE ARG A 105 -0.120 9.407 13.338 1.00 2.86 N ATOM 1728 CZ ARG A 105 -0.412 10.569 13.939 1.00 3.68 C ATOM 1729 NH1 ARG A 105 0.295 11.666 13.679 1.00 4.09 N ATOM 1730 NH2 ARG A 105 -1.359 10.611 14.860 1.00 4.52 N ATOM 0 H ARG A 105 -2.408 7.130 9.421 1.00 1.01 H new ATOM 0 HA ARG A 105 -1.843 9.927 9.135 1.00 1.18 H new ATOM 0 HB2 ARG A 105 -1.597 8.670 11.230 1.00 1.38 H new ATOM 0 HB3 ARG A 105 -0.379 7.647 10.496 1.00 1.38 H new ATOM 0 HG2 ARG A 105 1.070 9.652 10.157 1.00 2.01 H new ATOM 0 HG3 ARG A 105 -0.140 10.640 10.951 1.00 2.01 H new ATOM 0 HD2 ARG A 105 1.217 8.232 12.228 1.00 2.29 H new ATOM 0 HD3 ARG A 105 1.726 9.892 12.466 1.00 2.29 H new ATOM 0 HE ARG A 105 -0.612 8.570 13.652 1.00 2.86 H new ATOM 0 HH11 ARG A 105 1.069 11.629 13.016 1.00 4.09 H new ATOM 0 HH12 ARG A 105 0.063 12.544 14.143 1.00 4.09 H new ATOM 0 HH21 ARG A 105 -1.864 9.761 15.111 1.00 4.52 H new ATOM 0 HH22 ARG A 105 -1.584 11.493 15.320 1.00 4.52 H new ATOM 1744 N ASP A 106 0.192 7.715 7.730 1.00 0.95 N ATOM 1745 CA ASP A 106 1.227 7.530 6.721 1.00 0.99 C ATOM 1746 C ASP A 106 0.707 7.907 5.336 1.00 0.96 C ATOM 1747 O ASP A 106 1.461 8.336 4.468 1.00 1.17 O ATOM 1748 CB ASP A 106 1.692 6.079 6.744 1.00 1.09 C ATOM 1749 CG ASP A 106 3.119 5.921 7.216 1.00 1.46 C ATOM 1750 OD1 ASP A 106 4.046 6.402 6.534 1.00 2.18 O ATOM 1751 OD2 ASP A 106 3.317 5.326 8.290 1.00 1.76 O ATOM 0 H ASP A 106 -0.113 6.848 8.173 1.00 0.95 H new ATOM 0 HA ASP A 106 2.070 8.183 6.947 1.00 0.99 H new ATOM 0 HB2 ASP A 106 1.034 5.503 7.395 1.00 1.09 H new ATOM 0 HB3 ASP A 106 1.598 5.658 5.743 1.00 1.09 H new ATOM 1756 N ILE A 107 -0.597 7.741 5.157 1.00 0.92 N ATOM 1757 CA ILE A 107 -1.260 8.056 3.900 1.00 1.04 C ATOM 1758 C ILE A 107 -1.485 9.566 3.768 1.00 1.23 C ATOM 1759 O ILE A 107 -1.408 10.125 2.671 1.00 1.43 O ATOM 1760 CB ILE A 107 -2.610 7.284 3.776 1.00 1.06 C ATOM 1761 CG1 ILE A 107 -2.426 6.020 2.914 1.00 1.18 C ATOM 1762 CG2 ILE A 107 -3.719 8.166 3.187 1.00 1.23 C ATOM 1763 CD1 ILE A 107 -1.455 5.007 3.490 1.00 1.45 C ATOM 0 H ILE A 107 -1.224 7.385 5.879 1.00 0.92 H new ATOM 0 HA ILE A 107 -0.610 7.736 3.085 1.00 1.04 H new ATOM 0 HB ILE A 107 -2.915 6.994 4.781 1.00 1.06 H new ATOM 0 HG12 ILE A 107 -3.396 5.541 2.781 1.00 1.18 H new ATOM 0 HG13 ILE A 107 -2.079 6.317 1.924 1.00 1.18 H new ATOM 0 HG21 ILE A 107 -4.642 7.591 3.117 1.00 1.23 H new ATOM 0 HG22 ILE A 107 -3.877 9.030 3.832 1.00 1.23 H new ATOM 0 HG23 ILE A 107 -3.426 8.504 2.193 1.00 1.23 H new ATOM 0 HD11 ILE A 107 -1.385 4.149 2.821 1.00 1.45 H new ATOM 0 HD12 ILE A 107 -0.472 5.465 3.597 1.00 1.45 H new ATOM 0 HD13 ILE A 107 -1.810 4.677 4.467 1.00 1.45 H new ATOM 1775 N ALA A 108 -1.767 10.223 4.890 1.00 1.25 N ATOM 1776 CA ALA A 108 -2.013 11.653 4.898 1.00 1.52 C ATOM 1777 C ALA A 108 -0.741 12.439 4.590 1.00 1.59 C ATOM 1778 O ALA A 108 -0.792 13.634 4.288 1.00 1.92 O ATOM 1779 CB ALA A 108 -2.576 12.087 6.238 1.00 1.62 C ATOM 0 H ALA A 108 -1.830 9.781 5.807 1.00 1.25 H new ATOM 0 HA ALA A 108 -2.743 11.866 4.117 1.00 1.52 H new ATOM 0 HB1 ALA A 108 -2.755 13.162 6.227 1.00 1.62 H new ATOM 0 HB2 ALA A 108 -3.515 11.565 6.424 1.00 1.62 H new ATOM 0 HB3 ALA A 108 -1.864 11.846 7.027 1.00 1.62 H new ATOM 1785 N GLU A 109 0.389 11.757 4.684 1.00 1.39 N ATOM 1786 CA GLU A 109 1.695 12.344 4.434 1.00 1.50 C ATOM 1787 C GLU A 109 2.714 11.227 4.188 1.00 1.43 C ATOM 1788 O GLU A 109 3.378 10.749 5.112 1.00 1.70 O ATOM 1789 CB GLU A 109 2.150 13.231 5.609 1.00 1.69 C ATOM 1790 CG GLU A 109 1.775 12.705 6.980 1.00 1.73 C ATOM 1791 CD GLU A 109 2.720 13.199 8.057 1.00 2.07 C ATOM 1792 OE1 GLU A 109 2.854 14.431 8.233 1.00 2.40 O ATOM 1793 OE2 GLU A 109 3.346 12.355 8.730 1.00 2.56 O ATOM 0 H GLU A 109 0.425 10.770 4.939 1.00 1.39 H new ATOM 0 HA GLU A 109 1.624 12.980 3.551 1.00 1.50 H new ATOM 0 HB2 GLU A 109 3.233 13.346 5.562 1.00 1.69 H new ATOM 0 HB3 GLU A 109 1.719 14.224 5.485 1.00 1.69 H new ATOM 0 HG2 GLU A 109 0.758 13.014 7.221 1.00 1.73 H new ATOM 0 HG3 GLU A 109 1.782 11.615 6.964 1.00 1.73 H new ATOM 1800 N GLU A 110 2.807 10.804 2.927 1.00 1.49 N ATOM 1801 CA GLU A 110 3.710 9.725 2.508 1.00 1.63 C ATOM 1802 C GLU A 110 5.181 10.145 2.643 1.00 1.78 C ATOM 1803 O GLU A 110 5.479 11.309 2.904 1.00 2.20 O ATOM 1804 CB GLU A 110 3.400 9.284 1.065 1.00 2.09 C ATOM 1805 CG GLU A 110 3.591 10.377 0.022 1.00 2.83 C ATOM 1806 CD GLU A 110 2.342 11.190 -0.240 1.00 3.38 C ATOM 1807 OE1 GLU A 110 1.866 11.895 0.675 1.00 3.86 O ATOM 1808 OE2 GLU A 110 1.823 11.127 -1.374 1.00 3.86 O ATOM 0 H GLU A 110 2.258 11.199 2.164 1.00 1.49 H new ATOM 0 HA GLU A 110 3.544 8.876 3.171 1.00 1.63 H new ATOM 0 HB2 GLU A 110 4.040 8.439 0.810 1.00 2.09 H new ATOM 0 HB3 GLU A 110 2.370 8.930 1.019 1.00 2.09 H new ATOM 0 HG2 GLU A 110 4.387 11.045 0.350 1.00 2.83 H new ATOM 0 HG3 GLU A 110 3.921 9.922 -0.912 1.00 2.83 H new ATOM 1815 N GLN A 111 6.086 9.179 2.481 1.00 1.93 N ATOM 1816 CA GLN A 111 7.531 9.409 2.604 1.00 2.44 C ATOM 1817 C GLN A 111 8.088 10.307 1.492 1.00 2.84 C ATOM 1818 O GLN A 111 9.288 10.288 1.218 1.00 3.22 O ATOM 1819 CB GLN A 111 8.263 8.071 2.610 1.00 2.97 C ATOM 1820 CG GLN A 111 9.616 8.109 3.320 1.00 3.66 C ATOM 1821 CD GLN A 111 10.364 6.797 3.231 1.00 4.54 C ATOM 1822 OE1 GLN A 111 9.882 5.761 3.687 1.00 5.12 O ATOM 1823 NE2 GLN A 111 11.553 6.838 2.653 1.00 5.02 N ATOM 0 H GLN A 111 5.841 8.214 2.261 1.00 1.93 H new ATOM 0 HA GLN A 111 7.696 9.934 3.545 1.00 2.44 H new ATOM 0 HB2 GLN A 111 7.632 7.325 3.092 1.00 2.97 H new ATOM 0 HB3 GLN A 111 8.413 7.745 1.581 1.00 2.97 H new ATOM 0 HG2 GLN A 111 10.227 8.900 2.885 1.00 3.66 H new ATOM 0 HG3 GLN A 111 9.463 8.364 4.369 1.00 3.66 H new ATOM 0 HE21 GLN A 111 11.913 7.720 2.289 1.00 5.02 H new ATOM 0 HE22 GLN A 111 12.110 5.987 2.571 1.00 5.02 H new ATOM 1832 N GLU A 112 7.236 11.125 0.889 1.00 3.29 N ATOM 1833 CA GLU A 112 7.678 12.047 -0.142 1.00 4.12 C ATOM 1834 C GLU A 112 8.560 13.100 0.519 1.00 4.19 C ATOM 1835 O GLU A 112 9.384 13.749 -0.127 1.00 4.69 O ATOM 1836 CB GLU A 112 6.496 12.715 -0.835 1.00 5.03 C ATOM 1837 CG GLU A 112 5.745 13.666 0.070 1.00 5.36 C ATOM 1838 CD GLU A 112 4.757 14.525 -0.676 1.00 6.31 C ATOM 1839 OE1 GLU A 112 4.588 14.326 -1.895 1.00 6.83 O ATOM 1840 OE2 GLU A 112 4.158 15.421 -0.047 1.00 6.81 O ATOM 0 H GLU A 112 6.238 11.167 1.097 1.00 3.29 H new ATOM 0 HA GLU A 112 8.233 11.500 -0.905 1.00 4.12 H new ATOM 0 HB2 GLU A 112 6.854 13.259 -1.709 1.00 5.03 H new ATOM 0 HB3 GLU A 112 5.811 11.947 -1.196 1.00 5.03 H new ATOM 0 HG2 GLU A 112 5.218 13.094 0.833 1.00 5.36 H new ATOM 0 HG3 GLU A 112 6.458 14.307 0.588 1.00 5.36 H new ATOM 1847 N LYS A 113 8.383 13.236 1.833 1.00 3.97 N ATOM 1848 CA LYS A 113 9.155 14.162 2.647 1.00 4.36 C ATOM 1849 C LYS A 113 10.564 13.608 2.879 1.00 4.15 C ATOM 1850 O LYS A 113 11.077 13.621 3.999 1.00 4.65 O ATOM 1851 CB LYS A 113 8.466 14.377 4.003 1.00 4.79 C ATOM 1852 CG LYS A 113 7.139 15.143 3.963 1.00 5.55 C ATOM 1853 CD LYS A 113 6.027 14.332 3.325 1.00 5.63 C ATOM 1854 CE LYS A 113 4.706 15.075 3.301 1.00 6.48 C ATOM 1855 NZ LYS A 113 4.776 16.358 2.541 1.00 7.06 N ATOM 0 H LYS A 113 7.694 12.701 2.362 1.00 3.97 H new ATOM 0 HA LYS A 113 9.221 15.114 2.120 1.00 4.36 H new ATOM 0 HB2 LYS A 113 8.288 13.402 4.457 1.00 4.79 H new ATOM 0 HB3 LYS A 113 9.153 14.913 4.658 1.00 4.79 H new ATOM 0 HG2 LYS A 113 6.850 15.418 4.977 1.00 5.55 H new ATOM 0 HG3 LYS A 113 7.274 16.071 3.407 1.00 5.55 H new ATOM 0 HD2 LYS A 113 6.311 14.070 2.306 1.00 5.63 H new ATOM 0 HD3 LYS A 113 5.904 13.397 3.872 1.00 5.63 H new ATOM 0 HE2 LYS A 113 3.943 14.436 2.856 1.00 6.48 H new ATOM 0 HE3 LYS A 113 4.392 15.281 4.324 1.00 6.48 H new ATOM 0 HZ1 LYS A 113 3.871 16.863 2.629 1.00 7.06 H new ATOM 0 HZ2 LYS A 113 5.541 16.948 2.926 1.00 7.06 H new ATOM 0 HZ3 LYS A 113 4.965 16.158 1.538 1.00 7.06 H new ATOM 1869 N TYR A 114 11.170 13.100 1.815 1.00 3.80 N ATOM 1870 CA TYR A 114 12.497 12.514 1.881 1.00 4.21 C ATOM 1871 C TYR A 114 13.522 13.519 2.366 1.00 4.57 C ATOM 1872 O TYR A 114 14.434 13.169 3.115 1.00 5.17 O ATOM 1873 CB TYR A 114 12.906 11.981 0.509 1.00 4.58 C ATOM 1874 CG TYR A 114 14.288 11.358 0.481 1.00 5.45 C ATOM 1875 CD1 TYR A 114 14.573 10.223 1.225 1.00 5.90 C ATOM 1876 CD2 TYR A 114 15.314 11.932 -0.262 1.00 6.18 C ATOM 1877 CE1 TYR A 114 15.840 9.669 1.227 1.00 6.94 C ATOM 1878 CE2 TYR A 114 16.582 11.378 -0.272 1.00 7.17 C ATOM 1879 CZ TYR A 114 16.838 10.255 0.477 1.00 7.49 C ATOM 1880 OH TYR A 114 18.106 9.718 0.476 1.00 8.62 O ATOM 0 H TYR A 114 10.754 13.084 0.884 1.00 3.80 H new ATOM 0 HA TYR A 114 12.462 11.691 2.595 1.00 4.21 H new ATOM 0 HB2 TYR A 114 12.176 11.238 0.186 1.00 4.58 H new ATOM 0 HB3 TYR A 114 12.871 12.797 -0.213 1.00 4.58 H new ATOM 0 HD1 TYR A 114 13.792 9.764 1.813 1.00 5.90 H new ATOM 0 HD2 TYR A 114 15.118 12.823 -0.840 1.00 6.18 H new ATOM 0 HE1 TYR A 114 16.046 8.784 1.811 1.00 6.94 H new ATOM 0 HE2 TYR A 114 17.366 11.826 -0.865 1.00 7.17 H new ATOM 0 HH TYR A 114 18.687 10.252 -0.105 1.00 8.62 H new ATOM 1890 N ALA A 115 13.365 14.768 1.947 1.00 4.51 N ATOM 1891 CA ALA A 115 14.287 15.827 2.342 1.00 5.16 C ATOM 1892 C ALA A 115 13.654 16.770 3.364 1.00 5.46 C ATOM 1893 O ALA A 115 14.019 17.944 3.437 1.00 5.73 O ATOM 1894 CB ALA A 115 14.766 16.607 1.123 1.00 5.63 C ATOM 0 H ALA A 115 12.609 15.073 1.334 1.00 4.51 H new ATOM 0 HA ALA A 115 15.148 15.353 2.814 1.00 5.16 H new ATOM 0 HB1 ALA A 115 15.453 17.392 1.440 1.00 5.63 H new ATOM 0 HB2 ALA A 115 15.278 15.932 0.437 1.00 5.63 H new ATOM 0 HB3 ALA A 115 13.910 17.056 0.619 1.00 5.63 H new ATOM 1900 N ALA A 116 12.719 16.248 4.166 1.00 5.86 N ATOM 1901 CA ALA A 116 12.053 17.043 5.192 1.00 6.58 C ATOM 1902 C ALA A 116 12.730 16.828 6.541 1.00 7.22 C ATOM 1903 O ALA A 116 12.065 16.646 7.559 1.00 7.70 O ATOM 1904 CB ALA A 116 10.579 16.676 5.285 1.00 7.03 C ATOM 0 H ALA A 116 12.409 15.277 4.121 1.00 5.86 H new ATOM 0 HA ALA A 116 12.130 18.095 4.917 1.00 6.58 H new ATOM 0 HB1 ALA A 116 10.101 17.281 6.056 1.00 7.03 H new ATOM 0 HB2 ALA A 116 10.096 16.864 4.326 1.00 7.03 H new ATOM 0 HB3 ALA A 116 10.482 15.621 5.540 1.00 7.03 H new ATOM 1910 N GLU A 117 14.059 16.849 6.542 1.00 7.53 N ATOM 1911 CA GLU A 117 14.822 16.648 7.752 1.00 8.41 C ATOM 1912 C GLU A 117 14.965 17.957 8.511 1.00 9.09 C ATOM 1913 O GLU A 117 16.068 18.406 8.825 1.00 9.58 O ATOM 1914 CB GLU A 117 16.171 16.057 7.391 1.00 8.83 C ATOM 1915 CG GLU A 117 16.077 14.604 6.943 1.00 9.18 C ATOM 1916 CD GLU A 117 17.424 14.034 6.574 1.00 9.82 C ATOM 1917 OE1 GLU A 117 18.304 13.992 7.453 1.00 10.40 O ATOM 1918 OE2 GLU A 117 17.611 13.623 5.408 1.00 9.94 O ATOM 0 H GLU A 117 14.626 17.005 5.708 1.00 7.53 H new ATOM 0 HA GLU A 117 14.302 15.951 8.410 1.00 8.41 H new ATOM 0 HB2 GLU A 117 16.621 16.650 6.595 1.00 8.83 H new ATOM 0 HB3 GLU A 117 16.835 16.125 8.253 1.00 8.83 H new ATOM 0 HG2 GLU A 117 15.638 14.007 7.742 1.00 9.18 H new ATOM 0 HG3 GLU A 117 15.407 14.532 6.086 1.00 9.18 H new ATOM 1925 N ARG A 118 13.820 18.558 8.797 1.00 9.35 N ATOM 1926 CA ARG A 118 13.733 19.816 9.514 1.00 10.23 C ATOM 1927 C ARG A 118 12.268 20.044 9.843 1.00 10.76 C ATOM 1928 O ARG A 118 11.396 19.448 9.210 1.00 11.00 O ATOM 1929 CB ARG A 118 14.236 20.974 8.650 1.00 10.61 C ATOM 1930 CG ARG A 118 14.513 22.268 9.395 1.00 11.18 C ATOM 1931 CD ARG A 118 15.791 22.196 10.224 1.00 11.87 C ATOM 1932 NE ARG A 118 16.973 21.884 9.418 1.00 12.16 N ATOM 1933 CZ ARG A 118 18.203 21.804 9.916 1.00 12.66 C ATOM 1934 NH1 ARG A 118 18.469 22.334 11.102 1.00 12.91 N ATOM 1935 NH2 ARG A 118 19.204 21.447 9.124 1.00 13.09 N ATOM 0 H ARG A 118 12.912 18.177 8.532 1.00 9.35 H new ATOM 0 HA ARG A 118 14.348 19.773 10.413 1.00 10.23 H new ATOM 0 HB2 ARG A 118 15.151 20.660 8.148 1.00 10.61 H new ATOM 0 HB3 ARG A 118 13.498 21.173 7.873 1.00 10.61 H new ATOM 0 HG2 ARG A 118 14.592 23.087 8.680 1.00 11.18 H new ATOM 0 HG3 ARG A 118 13.671 22.496 10.049 1.00 11.18 H new ATOM 0 HD2 ARG A 118 15.944 23.149 10.731 1.00 11.87 H new ATOM 0 HD3 ARG A 118 15.674 21.438 10.998 1.00 11.87 H new ATOM 0 HE ARG A 118 16.846 21.719 8.420 1.00 12.16 H new ATOM 0 HH11 ARG A 118 17.731 22.801 11.629 1.00 12.91 H new ATOM 0 HH12 ARG A 118 19.412 22.275 11.487 1.00 12.91 H new ATOM 0 HH21 ARG A 118 19.027 21.237 8.142 1.00 13.09 H new ATOM 0 HH22 ARG A 118 20.151 21.383 9.497 1.00 13.09 H new ATOM 1949 N ASP A 119 11.995 20.897 10.790 1.00 11.16 N ATOM 1950 CA ASP A 119 10.628 21.190 11.155 1.00 11.89 C ATOM 1951 C ASP A 119 10.184 22.476 10.476 1.00 12.21 C ATOM 1952 O ASP A 119 9.190 22.442 9.716 1.00 0.00 O ATOM 1953 CB ASP A 119 10.484 21.298 12.673 1.00 12.51 C ATOM 1954 CG ASP A 119 9.027 21.330 13.107 1.00 13.33 C ATOM 1955 OD1 ASP A 119 8.362 22.376 12.929 1.00 13.70 O ATOM 1956 OD2 ASP A 119 8.531 20.293 13.607 1.00 13.75 O ATOM 1957 OXT ASP A 119 10.851 23.510 10.673 1.00 0.00 O ATOM 0 H ASP A 119 12.698 21.405 11.327 1.00 11.16 H new ATOM 0 HA ASP A 119 9.988 20.374 10.819 1.00 11.89 H new ATOM 0 HB2 ASP A 119 10.984 20.453 13.146 1.00 12.51 H new ATOM 0 HB3 ASP A 119 10.986 22.201 13.021 1.00 12.51 H new TER 1962 ASP A 119