USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 682 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 38 THR OG1 : rot 180:sc= 0.836 USER MOD Set 1.2: A 42 SER OG : rot 100:sc= 0.237 USER MOD Single : A 1 SER N :NH3+ -146:sc= 0.0116 (180deg=0) USER MOD Single : A 1 SER OG : rot 48:sc= 0.156 USER MOD Single : A 2 LYS NZ :NH3+ 165:sc= -0.0158 (180deg=-0.258) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= -0.0532 (180deg=-0.305) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -169:sc= -0.0101 (180deg=-0.128) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 164:sc= -0.504 (180deg=-1.35) USER MOD Single : A 23 LYS NZ :NH3+ 131:sc= -0.0337 (180deg=-0.388) USER MOD Single : A 25 LYS NZ :NH3+ -130:sc= 0.56 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : +bothHN:sc= -1.6! K(o=-1.6!,f=-3.6) USER MOD Single : A 32 LYS NZ :NH3+ 177:sc= 0.454 (180deg=0.358) USER MOD Single : A 33 MET CE :methyl 157:sc= -2.25 (180deg=-3.77!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0232) USER MOD Single : A 40 SER OG : rot -3:sc= 1.01 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.704 K(o=0.7,f=-4.1!) USER MOD Single : A 49 HIS : no HD1:sc= -2.32! K(o=-2.3!,f=-3.8) USER MOD Single : A 52 HIS : no HD1:sc= -0.236 K(o=-0.24,f=-6.5!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0.0805 K(o=0.08,f=-1.5) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 170:sc= 0.756 USER MOD Single : A 59 LYS NZ :NH3+ -172:sc= -0.0308 (180deg=-0.171) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0523) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 69 ASN : amide:sc= 0.188 X(o=0.19,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -165:sc= 1.25 (180deg=1.04) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 17.278 -9.004 -7.700 1.00 43.13 N ATOM 2 CA SER A 1 15.974 -8.729 -7.174 1.00 11.10 C ATOM 3 C SER A 1 15.965 -7.514 -6.242 1.00 5.35 C ATOM 4 O SER A 1 15.983 -7.648 -5.023 1.00 34.04 O ATOM 5 CB SER A 1 15.365 -9.980 -6.513 1.00 35.01 C ATOM 6 OG SER A 1 16.238 -10.498 -5.507 1.00 23.13 O ATOM 0 H1 SER A 1 17.191 -9.377 -8.667 1.00 43.13 H new ATOM 0 H2 SER A 1 17.838 -8.128 -7.716 1.00 43.13 H new ATOM 0 H3 SER A 1 17.753 -9.708 -7.100 1.00 43.13 H new ATOM 0 HA SER A 1 15.335 -8.464 -8.016 1.00 11.10 H new ATOM 0 HB2 SER A 1 14.401 -9.730 -6.071 1.00 35.01 H new ATOM 0 HB3 SER A 1 15.181 -10.743 -7.269 1.00 35.01 H new ATOM 0 HG SER A 1 16.539 -9.767 -4.928 1.00 23.13 H new ATOM 12 N LYS A 2 16.047 -6.354 -6.847 1.00 12.34 N ATOM 13 CA LYS A 2 15.932 -5.055 -6.199 1.00 33.35 C ATOM 14 C LYS A 2 15.424 -4.115 -7.239 1.00 40.30 C ATOM 15 O LYS A 2 15.781 -4.251 -8.413 1.00 14.23 O ATOM 16 CB LYS A 2 17.270 -4.504 -5.661 1.00 11.12 C ATOM 17 CG LYS A 2 17.910 -5.288 -4.535 1.00 52.02 C ATOM 18 CD LYS A 2 19.152 -4.575 -4.029 1.00 23.55 C ATOM 19 CE LYS A 2 19.849 -5.370 -2.939 1.00 53.11 C ATOM 20 NZ LYS A 2 20.340 -6.668 -3.436 1.00 63.34 N ATOM 0 H LYS A 2 16.203 -6.278 -7.852 1.00 12.34 H new ATOM 0 HA LYS A 2 15.274 -5.159 -5.336 1.00 33.35 H new ATOM 0 HB2 LYS A 2 17.977 -4.453 -6.489 1.00 11.12 H new ATOM 0 HB3 LYS A 2 17.107 -3.482 -5.318 1.00 11.12 H new ATOM 0 HG2 LYS A 2 17.197 -5.412 -3.720 1.00 52.02 H new ATOM 0 HG3 LYS A 2 18.173 -6.287 -4.883 1.00 52.02 H new ATOM 0 HD2 LYS A 2 19.841 -4.411 -4.858 1.00 23.55 H new ATOM 0 HD3 LYS A 2 18.877 -3.593 -3.644 1.00 23.55 H new ATOM 0 HE2 LYS A 2 20.685 -4.792 -2.546 1.00 53.11 H new ATOM 0 HE3 LYS A 2 19.159 -5.535 -2.112 1.00 53.11 H new ATOM 0 HZ1 LYS A 2 21.019 -7.066 -2.756 1.00 63.34 H new ATOM 0 HZ2 LYS A 2 19.539 -7.322 -3.549 1.00 63.34 H new ATOM 0 HZ3 LYS A 2 20.809 -6.533 -4.354 1.00 63.34 H new ATOM 34 N CYS A 3 14.615 -3.182 -6.858 1.00 4.55 N ATOM 35 CA CYS A 3 14.035 -2.283 -7.812 1.00 4.30 C ATOM 36 C CYS A 3 14.120 -0.865 -7.325 1.00 65.20 C ATOM 37 O CYS A 3 14.206 -0.613 -6.114 1.00 60.34 O ATOM 38 CB CYS A 3 12.588 -2.669 -8.062 1.00 14.02 C ATOM 39 SG CYS A 3 12.385 -4.376 -8.654 1.00 10.44 S ATOM 0 H CYS A 3 14.337 -3.019 -5.890 1.00 4.55 H new ATOM 0 HA CYS A 3 14.592 -2.354 -8.746 1.00 4.30 H new ATOM 0 HB2 CYS A 3 12.022 -2.543 -7.139 1.00 14.02 H new ATOM 0 HB3 CYS A 3 12.159 -1.985 -8.795 1.00 14.02 H new ATOM 44 N LYS A 4 14.112 0.058 -8.256 1.00 54.04 N ATOM 45 CA LYS A 4 14.170 1.460 -7.950 1.00 30.21 C ATOM 46 C LYS A 4 12.824 1.948 -7.415 1.00 51.11 C ATOM 47 O LYS A 4 11.943 2.362 -8.176 1.00 71.50 O ATOM 48 CB LYS A 4 14.605 2.254 -9.183 1.00 60.31 C ATOM 49 CG LYS A 4 14.727 3.750 -8.979 1.00 54.22 C ATOM 50 CD LYS A 4 15.152 4.415 -10.264 1.00 12.33 C ATOM 51 CE LYS A 4 15.255 5.914 -10.113 1.00 12.50 C ATOM 52 NZ LYS A 4 15.688 6.555 -11.371 1.00 20.13 N ATOM 0 H LYS A 4 14.065 -0.148 -9.254 1.00 54.04 H new ATOM 0 HA LYS A 4 14.913 1.621 -7.169 1.00 30.21 H new ATOM 0 HB2 LYS A 4 15.568 1.870 -9.521 1.00 60.31 H new ATOM 0 HB3 LYS A 4 13.889 2.070 -9.984 1.00 60.31 H new ATOM 0 HG2 LYS A 4 13.773 4.159 -8.647 1.00 54.22 H new ATOM 0 HG3 LYS A 4 15.454 3.960 -8.194 1.00 54.22 H new ATOM 0 HD2 LYS A 4 16.116 4.014 -10.579 1.00 12.33 H new ATOM 0 HD3 LYS A 4 14.436 4.177 -11.050 1.00 12.33 H new ATOM 0 HE2 LYS A 4 14.289 6.318 -9.811 1.00 12.50 H new ATOM 0 HE3 LYS A 4 15.962 6.153 -9.319 1.00 12.50 H new ATOM 0 HZ1 LYS A 4 15.749 7.584 -11.233 1.00 20.13 H new ATOM 0 HZ2 LYS A 4 16.621 6.187 -11.645 1.00 20.13 H new ATOM 0 HZ3 LYS A 4 14.999 6.346 -12.122 1.00 20.13 H new ATOM 66 N CYS A 5 12.663 1.800 -6.120 1.00 40.43 N ATOM 67 CA CYS A 5 11.498 2.233 -5.369 1.00 5.31 C ATOM 68 C CYS A 5 11.709 1.720 -3.963 1.00 62.41 C ATOM 69 O CYS A 5 11.957 2.504 -3.039 1.00 74.42 O ATOM 70 CB CYS A 5 10.173 1.654 -5.959 1.00 71.13 C ATOM 71 SG CYS A 5 8.622 2.459 -5.385 1.00 51.42 S ATOM 0 H CYS A 5 13.369 1.356 -5.532 1.00 40.43 H new ATOM 0 HA CYS A 5 11.397 3.318 -5.407 1.00 5.31 H new ATOM 0 HB2 CYS A 5 10.218 1.729 -7.046 1.00 71.13 H new ATOM 0 HB3 CYS A 5 10.122 0.593 -5.714 1.00 71.13 H new ATOM 76 N SER A 6 11.693 0.375 -3.837 1.00 62.02 N ATOM 77 CA SER A 6 11.914 -0.359 -2.581 1.00 72.14 C ATOM 78 C SER A 6 10.868 -0.032 -1.508 1.00 54.35 C ATOM 79 O SER A 6 10.025 -0.872 -1.176 1.00 61.42 O ATOM 80 CB SER A 6 13.343 -0.146 -2.080 1.00 41.23 C ATOM 81 OG SER A 6 14.274 -0.523 -3.095 1.00 34.12 O ATOM 0 H SER A 6 11.521 -0.243 -4.630 1.00 62.02 H new ATOM 0 HA SER A 6 11.787 -1.420 -2.797 1.00 72.14 H new ATOM 0 HB2 SER A 6 13.491 0.899 -1.809 1.00 41.23 H new ATOM 0 HB3 SER A 6 13.514 -0.736 -1.180 1.00 41.23 H new ATOM 0 HG SER A 6 15.188 -0.383 -2.769 1.00 34.12 H new ATOM 87 N ARG A 7 10.921 1.166 -0.993 1.00 54.42 N ATOM 88 CA ARG A 7 9.997 1.625 -0.016 1.00 11.23 C ATOM 89 C ARG A 7 9.967 3.144 -0.067 1.00 62.33 C ATOM 90 O ARG A 7 10.732 3.814 0.626 1.00 4.22 O ATOM 91 CB ARG A 7 10.388 1.134 1.381 1.00 15.11 C ATOM 92 CG ARG A 7 9.343 1.392 2.449 1.00 44.10 C ATOM 93 CD ARG A 7 9.816 0.912 3.808 1.00 1.21 C ATOM 94 NE ARG A 7 10.945 1.701 4.317 1.00 11.42 N ATOM 95 CZ ARG A 7 11.847 1.271 5.203 1.00 25.33 C ATOM 96 NH1 ARG A 7 11.905 -0.017 5.529 1.00 2.11 N ATOM 97 NH2 ARG A 7 12.730 2.123 5.707 1.00 44.44 N ATOM 0 H ARG A 7 11.625 1.857 -1.252 1.00 54.42 H new ATOM 0 HA ARG A 7 9.005 1.227 -0.230 1.00 11.23 H new ATOM 0 HB2 ARG A 7 10.586 0.063 1.335 1.00 15.11 H new ATOM 0 HB3 ARG A 7 11.319 1.618 1.676 1.00 15.11 H new ATOM 0 HG2 ARG A 7 9.121 2.458 2.494 1.00 44.10 H new ATOM 0 HG3 ARG A 7 8.416 0.884 2.184 1.00 44.10 H new ATOM 0 HD2 ARG A 7 8.990 0.965 4.517 1.00 1.21 H new ATOM 0 HD3 ARG A 7 10.110 -0.135 3.739 1.00 1.21 H new ATOM 0 HE ARG A 7 11.049 2.653 3.966 1.00 11.42 H new ATOM 0 HH11 ARG A 7 11.259 -0.681 5.102 1.00 2.11 H new ATOM 0 HH12 ARG A 7 12.596 -0.341 6.206 1.00 2.11 H new ATOM 0 HH21 ARG A 7 12.718 3.101 5.418 1.00 44.44 H new ATOM 0 HH22 ARG A 7 13.421 1.800 6.384 1.00 44.44 H new ATOM 111 N LYS A 8 9.164 3.677 -0.953 1.00 42.42 N ATOM 112 CA LYS A 8 9.039 5.110 -1.087 1.00 3.21 C ATOM 113 C LYS A 8 7.987 5.660 -0.168 1.00 40.05 C ATOM 114 O LYS A 8 6.784 5.502 -0.424 1.00 1.44 O ATOM 115 CB LYS A 8 8.716 5.559 -2.518 1.00 3.23 C ATOM 116 CG LYS A 8 9.814 5.381 -3.544 1.00 55.25 C ATOM 117 CD LYS A 8 9.380 6.009 -4.863 1.00 11.14 C ATOM 118 CE LYS A 8 10.458 5.939 -5.921 1.00 23.41 C ATOM 119 NZ LYS A 8 10.036 6.615 -7.168 1.00 14.31 N ATOM 0 H LYS A 8 8.584 3.139 -1.596 1.00 42.42 H new ATOM 0 HA LYS A 8 10.018 5.505 -0.817 1.00 3.21 H new ATOM 0 HB2 LYS A 8 7.838 5.010 -2.858 1.00 3.23 H new ATOM 0 HB3 LYS A 8 8.441 6.613 -2.491 1.00 3.23 H new ATOM 0 HG2 LYS A 8 10.735 5.847 -3.192 1.00 55.25 H new ATOM 0 HG3 LYS A 8 10.027 4.321 -3.685 1.00 55.25 H new ATOM 0 HD2 LYS A 8 8.486 5.502 -5.226 1.00 11.14 H new ATOM 0 HD3 LYS A 8 9.109 7.051 -4.694 1.00 11.14 H new ATOM 0 HE2 LYS A 8 11.370 6.403 -5.545 1.00 23.41 H new ATOM 0 HE3 LYS A 8 10.695 4.896 -6.133 1.00 23.41 H new ATOM 0 HZ1 LYS A 8 10.797 6.549 -7.873 1.00 14.31 H new ATOM 0 HZ2 LYS A 8 9.180 6.156 -7.539 1.00 14.31 H new ATOM 0 HZ3 LYS A 8 9.834 7.616 -6.969 1.00 14.31 H new ATOM 133 N GLY A 9 8.413 6.275 0.892 1.00 25.11 N ATOM 134 CA GLY A 9 7.484 6.929 1.739 1.00 40.01 C ATOM 135 C GLY A 9 7.216 6.211 3.042 1.00 53.11 C ATOM 136 O GLY A 9 7.307 4.974 3.110 1.00 10.14 O ATOM 0 H GLY A 9 9.389 6.334 1.183 1.00 25.11 H new ATOM 0 HA2 GLY A 9 7.854 7.930 1.959 1.00 40.01 H new ATOM 0 HA3 GLY A 9 6.542 7.047 1.203 1.00 40.01 H new ATOM 140 N PRO A 10 6.935 6.971 4.120 1.00 23.31 N ATOM 141 CA PRO A 10 6.467 6.413 5.392 1.00 74.10 C ATOM 142 C PRO A 10 5.089 5.785 5.181 1.00 13.52 C ATOM 143 O PRO A 10 4.391 6.129 4.198 1.00 55.55 O ATOM 144 CB PRO A 10 6.352 7.646 6.307 1.00 13.52 C ATOM 145 CG PRO A 10 7.205 8.676 5.665 1.00 53.53 C ATOM 146 CD PRO A 10 7.087 8.433 4.195 1.00 22.20 C ATOM 0 HA PRO A 10 7.122 5.644 5.802 1.00 74.10 H new ATOM 0 HB2 PRO A 10 5.319 7.983 6.388 1.00 13.52 H new ATOM 0 HB3 PRO A 10 6.695 7.422 7.317 1.00 13.52 H new ATOM 0 HG2 PRO A 10 6.870 9.680 5.925 1.00 53.53 H new ATOM 0 HG3 PRO A 10 8.240 8.590 5.995 1.00 53.53 H new ATOM 0 HD2 PRO A 10 6.230 8.952 3.766 1.00 22.20 H new ATOM 0 HD3 PRO A 10 7.970 8.777 3.656 1.00 22.20 H new ATOM 154 N LYS A 11 4.680 4.890 6.072 1.00 61.24 N ATOM 155 CA LYS A 11 3.428 4.191 5.877 1.00 41.13 C ATOM 156 C LYS A 11 2.241 5.148 5.893 1.00 1.41 C ATOM 157 O LYS A 11 2.062 5.968 6.817 1.00 54.40 O ATOM 158 CB LYS A 11 3.217 3.012 6.858 1.00 1.40 C ATOM 159 CG LYS A 11 3.064 3.388 8.324 1.00 73.14 C ATOM 160 CD LYS A 11 2.783 2.157 9.172 1.00 5.03 C ATOM 161 CE LYS A 11 2.526 2.519 10.628 1.00 52.11 C ATOM 162 NZ LYS A 11 1.351 3.416 10.781 1.00 14.44 N ATOM 0 H LYS A 11 5.189 4.638 6.919 1.00 61.24 H new ATOM 0 HA LYS A 11 3.491 3.746 4.884 1.00 41.13 H new ATOM 0 HB2 LYS A 11 2.328 2.462 6.549 1.00 1.40 H new ATOM 0 HB3 LYS A 11 4.062 2.330 6.764 1.00 1.40 H new ATOM 0 HG2 LYS A 11 3.973 3.877 8.675 1.00 73.14 H new ATOM 0 HG3 LYS A 11 2.252 4.106 8.437 1.00 73.14 H new ATOM 0 HD2 LYS A 11 1.918 1.629 8.771 1.00 5.03 H new ATOM 0 HD3 LYS A 11 3.630 1.473 9.112 1.00 5.03 H new ATOM 0 HE2 LYS A 11 2.364 1.608 11.205 1.00 52.11 H new ATOM 0 HE3 LYS A 11 3.409 3.005 11.042 1.00 52.11 H new ATOM 0 HZ1 LYS A 11 1.066 3.448 11.781 1.00 14.44 H new ATOM 0 HZ2 LYS A 11 1.601 4.374 10.461 1.00 14.44 H new ATOM 0 HZ3 LYS A 11 0.562 3.055 10.208 1.00 14.44 H new ATOM 176 N ILE A 12 1.479 5.063 4.853 1.00 63.01 N ATOM 177 CA ILE A 12 0.307 5.856 4.642 1.00 55.25 C ATOM 178 C ILE A 12 -0.821 5.283 5.446 1.00 63.44 C ATOM 179 O ILE A 12 -0.808 4.130 5.753 1.00 43.02 O ATOM 180 CB ILE A 12 -0.029 5.934 3.123 1.00 51.40 C ATOM 181 CG1 ILE A 12 1.188 6.480 2.383 1.00 43.30 C ATOM 182 CG2 ILE A 12 -1.235 6.828 2.850 1.00 20.23 C ATOM 183 CD1 ILE A 12 0.979 6.660 0.913 1.00 41.11 C ATOM 0 H ILE A 12 1.662 4.410 4.091 1.00 63.01 H new ATOM 0 HA ILE A 12 0.479 6.879 4.978 1.00 55.25 H new ATOM 0 HB ILE A 12 -0.279 4.932 2.774 1.00 51.40 H new ATOM 0 HG12 ILE A 12 1.465 7.439 2.820 1.00 43.30 H new ATOM 0 HG13 ILE A 12 2.028 5.804 2.539 1.00 43.30 H new ATOM 0 HG21 ILE A 12 -1.434 6.854 1.779 1.00 20.23 H new ATOM 0 HG22 ILE A 12 -2.107 6.432 3.371 1.00 20.23 H new ATOM 0 HG23 ILE A 12 -1.027 7.838 3.205 1.00 20.23 H new ATOM 0 HD11 ILE A 12 1.890 7.051 0.461 1.00 41.11 H new ATOM 0 HD12 ILE A 12 0.733 5.700 0.460 1.00 41.11 H new ATOM 0 HD13 ILE A 12 0.161 7.360 0.745 1.00 41.11 H new ATOM 195 N ARG A 13 -1.720 6.092 5.904 1.00 23.22 N ATOM 196 CA ARG A 13 -2.860 5.546 6.583 1.00 44.42 C ATOM 197 C ARG A 13 -3.844 5.024 5.557 1.00 43.14 C ATOM 198 O ARG A 13 -3.883 5.512 4.427 1.00 11.35 O ATOM 199 CB ARG A 13 -3.528 6.557 7.488 1.00 31.04 C ATOM 200 CG ARG A 13 -4.023 7.779 6.766 1.00 73.13 C ATOM 201 CD ARG A 13 -4.732 8.753 7.677 1.00 24.01 C ATOM 202 NE ARG A 13 -5.209 9.901 6.908 1.00 73.42 N ATOM 203 CZ ARG A 13 -6.226 10.697 7.235 1.00 5.33 C ATOM 204 NH1 ARG A 13 -6.886 10.514 8.372 1.00 60.22 N ATOM 205 NH2 ARG A 13 -6.578 11.676 6.422 1.00 23.12 N ATOM 0 H ARG A 13 -1.695 7.109 5.826 1.00 23.22 H new ATOM 0 HA ARG A 13 -2.517 4.732 7.221 1.00 44.42 H new ATOM 0 HB2 ARG A 13 -4.367 6.080 7.994 1.00 31.04 H new ATOM 0 HB3 ARG A 13 -2.822 6.863 8.260 1.00 31.04 H new ATOM 0 HG2 ARG A 13 -3.180 8.281 6.292 1.00 73.13 H new ATOM 0 HG3 ARG A 13 -4.702 7.474 5.969 1.00 73.13 H new ATOM 0 HD2 ARG A 13 -5.571 8.260 8.168 1.00 24.01 H new ATOM 0 HD3 ARG A 13 -4.055 9.087 8.463 1.00 24.01 H new ATOM 0 HE ARG A 13 -4.717 10.112 6.040 1.00 73.42 H new ATOM 0 HH11 ARG A 13 -6.616 9.759 9.003 1.00 60.22 H new ATOM 0 HH12 ARG A 13 -7.663 11.128 8.615 1.00 60.22 H new ATOM 0 HH21 ARG A 13 -6.072 11.820 5.548 1.00 23.12 H new ATOM 0 HH22 ARG A 13 -7.356 12.288 6.668 1.00 23.12 H new ATOM 219 N TYR A 14 -4.649 4.076 5.963 1.00 55.54 N ATOM 220 CA TYR A 14 -5.601 3.401 5.085 1.00 72.15 C ATOM 221 C TYR A 14 -6.602 4.408 4.509 1.00 73.14 C ATOM 222 O TYR A 14 -7.125 4.225 3.409 1.00 51.11 O ATOM 223 CB TYR A 14 -6.360 2.345 5.890 1.00 23.44 C ATOM 224 CG TYR A 14 -5.466 1.405 6.662 1.00 25.10 C ATOM 225 CD1 TYR A 14 -4.940 0.262 6.081 1.00 34.45 C ATOM 226 CD2 TYR A 14 -5.155 1.667 7.983 1.00 4.33 C ATOM 227 CE1 TYR A 14 -4.128 -0.585 6.803 1.00 53.53 C ATOM 228 CE2 TYR A 14 -4.349 0.831 8.701 1.00 23.13 C ATOM 229 CZ TYR A 14 -3.836 -0.293 8.116 1.00 54.21 C ATOM 230 OH TYR A 14 -3.028 -1.134 8.853 1.00 33.24 O ATOM 0 H TYR A 14 -4.670 3.738 6.925 1.00 55.54 H new ATOM 0 HA TYR A 14 -5.058 2.933 4.264 1.00 72.15 H new ATOM 0 HB2 TYR A 14 -7.031 2.847 6.587 1.00 23.44 H new ATOM 0 HB3 TYR A 14 -6.983 1.763 5.211 1.00 23.44 H new ATOM 0 HD1 TYR A 14 -5.169 0.033 5.051 1.00 34.45 H new ATOM 0 HD2 TYR A 14 -5.557 2.550 8.457 1.00 4.33 H new ATOM 0 HE1 TYR A 14 -3.723 -1.473 6.341 1.00 53.53 H new ATOM 0 HE2 TYR A 14 -4.117 1.058 9.731 1.00 23.13 H new ATOM 0 HH TYR A 14 -2.925 -0.777 9.760 1.00 33.24 H new ATOM 240 N SER A 15 -6.844 5.475 5.264 1.00 54.30 N ATOM 241 CA SER A 15 -7.785 6.512 4.885 1.00 32.34 C ATOM 242 C SER A 15 -7.331 7.279 3.631 1.00 51.22 C ATOM 243 O SER A 15 -8.166 7.683 2.811 1.00 1.14 O ATOM 244 CB SER A 15 -7.995 7.476 6.058 1.00 1.41 C ATOM 245 OG SER A 15 -8.440 6.777 7.227 1.00 41.51 O ATOM 0 H SER A 15 -6.387 5.641 6.161 1.00 54.30 H new ATOM 0 HA SER A 15 -8.730 6.029 4.637 1.00 32.34 H new ATOM 0 HB2 SER A 15 -7.063 7.998 6.275 1.00 1.41 H new ATOM 0 HB3 SER A 15 -8.728 8.234 5.783 1.00 1.41 H new ATOM 0 HG SER A 15 -8.565 7.414 7.961 1.00 41.51 H new ATOM 251 N ASP A 16 -6.019 7.458 3.468 1.00 42.55 N ATOM 252 CA ASP A 16 -5.507 8.207 2.308 1.00 25.40 C ATOM 253 C ASP A 16 -5.287 7.319 1.133 1.00 32.42 C ATOM 254 O ASP A 16 -5.088 7.798 0.026 1.00 72.32 O ATOM 255 CB ASP A 16 -4.201 8.965 2.589 1.00 21.55 C ATOM 256 CG ASP A 16 -4.334 10.089 3.567 1.00 43.44 C ATOM 257 OD1 ASP A 16 -4.964 11.115 3.228 1.00 3.11 O ATOM 258 OD2 ASP A 16 -3.809 9.971 4.679 1.00 64.53 O ATOM 0 H ASP A 16 -5.303 7.107 4.104 1.00 42.55 H new ATOM 0 HA ASP A 16 -6.285 8.939 2.091 1.00 25.40 H new ATOM 0 HB2 ASP A 16 -3.460 8.259 2.964 1.00 21.55 H new ATOM 0 HB3 ASP A 16 -3.816 9.361 1.649 1.00 21.55 H new ATOM 263 N VAL A 17 -5.315 6.031 1.351 1.00 22.12 N ATOM 264 CA VAL A 17 -5.071 5.099 0.283 1.00 10.24 C ATOM 265 C VAL A 17 -6.366 4.863 -0.460 1.00 44.53 C ATOM 266 O VAL A 17 -7.359 4.467 0.126 1.00 31.33 O ATOM 267 CB VAL A 17 -4.525 3.748 0.799 1.00 63.33 C ATOM 268 CG1 VAL A 17 -4.157 2.836 -0.350 1.00 30.12 C ATOM 269 CG2 VAL A 17 -3.349 3.939 1.730 1.00 24.25 C ATOM 0 H VAL A 17 -5.504 5.604 2.258 1.00 22.12 H new ATOM 0 HA VAL A 17 -4.315 5.528 -0.374 1.00 10.24 H new ATOM 0 HB VAL A 17 -5.323 3.273 1.370 1.00 63.33 H new ATOM 0 HG11 VAL A 17 -3.776 1.893 0.042 1.00 30.12 H new ATOM 0 HG12 VAL A 17 -5.040 2.645 -0.960 1.00 30.12 H new ATOM 0 HG13 VAL A 17 -3.390 3.312 -0.961 1.00 30.12 H new ATOM 0 HG21 VAL A 17 -2.994 2.967 2.071 1.00 24.25 H new ATOM 0 HG22 VAL A 17 -2.547 4.454 1.202 1.00 24.25 H new ATOM 0 HG23 VAL A 17 -3.658 4.534 2.589 1.00 24.25 H new ATOM 279 N LYS A 18 -6.360 5.120 -1.724 1.00 32.31 N ATOM 280 CA LYS A 18 -7.543 4.956 -2.536 1.00 44.20 C ATOM 281 C LYS A 18 -7.487 3.593 -3.170 1.00 34.20 C ATOM 282 O LYS A 18 -8.513 2.938 -3.402 1.00 41.23 O ATOM 283 CB LYS A 18 -7.537 6.052 -3.606 1.00 53.41 C ATOM 284 CG LYS A 18 -8.882 6.329 -4.327 1.00 3.34 C ATOM 285 CD LYS A 18 -9.339 5.200 -5.245 1.00 44.30 C ATOM 286 CE LYS A 18 -8.419 5.015 -6.449 1.00 33.04 C ATOM 287 NZ LYS A 18 -8.434 6.184 -7.350 1.00 33.43 N ATOM 0 H LYS A 18 -5.541 5.450 -2.234 1.00 32.31 H new ATOM 0 HA LYS A 18 -8.455 5.038 -1.945 1.00 44.20 H new ATOM 0 HB2 LYS A 18 -7.203 6.980 -3.141 1.00 53.41 H new ATOM 0 HB3 LYS A 18 -6.795 5.788 -4.360 1.00 53.41 H new ATOM 0 HG2 LYS A 18 -9.653 6.509 -3.578 1.00 3.34 H new ATOM 0 HG3 LYS A 18 -8.787 7.243 -4.913 1.00 3.34 H new ATOM 0 HD2 LYS A 18 -9.381 4.270 -4.678 1.00 44.30 H new ATOM 0 HD3 LYS A 18 -10.351 5.407 -5.594 1.00 44.30 H new ATOM 0 HE2 LYS A 18 -7.401 4.840 -6.102 1.00 33.04 H new ATOM 0 HE3 LYS A 18 -8.724 4.128 -7.004 1.00 33.04 H new ATOM 0 HZ1 LYS A 18 -7.948 5.944 -8.238 1.00 33.43 H new ATOM 0 HZ2 LYS A 18 -9.418 6.452 -7.555 1.00 33.43 H new ATOM 0 HZ3 LYS A 18 -7.947 6.981 -6.893 1.00 33.43 H new ATOM 301 N LYS A 19 -6.288 3.166 -3.408 1.00 60.12 N ATOM 302 CA LYS A 19 -6.017 1.936 -4.069 1.00 23.42 C ATOM 303 C LYS A 19 -4.694 1.420 -3.591 1.00 52.24 C ATOM 304 O LYS A 19 -3.737 2.193 -3.431 1.00 65.14 O ATOM 305 CB LYS A 19 -5.958 2.150 -5.579 1.00 20.01 C ATOM 306 CG LYS A 19 -5.704 0.870 -6.353 1.00 60.52 C ATOM 307 CD LYS A 19 -5.558 1.111 -7.845 1.00 51.42 C ATOM 308 CE LYS A 19 -6.800 1.734 -8.445 1.00 64.22 C ATOM 309 NZ LYS A 19 -6.655 1.954 -9.895 1.00 73.54 N ATOM 0 H LYS A 19 -5.449 3.680 -3.139 1.00 60.12 H new ATOM 0 HA LYS A 19 -6.809 1.221 -3.846 1.00 23.42 H new ATOM 0 HB2 LYS A 19 -6.897 2.590 -5.914 1.00 20.01 H new ATOM 0 HB3 LYS A 19 -5.170 2.868 -5.808 1.00 20.01 H new ATOM 0 HG2 LYS A 19 -4.799 0.394 -5.975 1.00 60.52 H new ATOM 0 HG3 LYS A 19 -6.526 0.175 -6.179 1.00 60.52 H new ATOM 0 HD2 LYS A 19 -4.703 1.763 -8.025 1.00 51.42 H new ATOM 0 HD3 LYS A 19 -5.349 0.166 -8.346 1.00 51.42 H new ATOM 0 HE2 LYS A 19 -7.657 1.087 -8.259 1.00 64.22 H new ATOM 0 HE3 LYS A 19 -7.005 2.684 -7.952 1.00 64.22 H new ATOM 0 HZ1 LYS A 19 -7.526 2.382 -10.270 1.00 73.54 H new ATOM 0 HZ2 LYS A 19 -5.852 2.591 -10.071 1.00 73.54 H new ATOM 0 HZ3 LYS A 19 -6.485 1.044 -10.369 1.00 73.54 H new ATOM 323 N LEU A 20 -4.630 0.150 -3.366 1.00 24.11 N ATOM 324 CA LEU A 20 -3.439 -0.482 -2.905 1.00 50.04 C ATOM 325 C LEU A 20 -3.280 -1.756 -3.713 1.00 33.34 C ATOM 326 O LEU A 20 -4.187 -2.594 -3.725 1.00 24.33 O ATOM 327 CB LEU A 20 -3.628 -0.799 -1.415 1.00 41.41 C ATOM 328 CG LEU A 20 -2.426 -1.318 -0.644 1.00 64.31 C ATOM 329 CD1 LEU A 20 -1.314 -0.303 -0.670 1.00 32.25 C ATOM 330 CD2 LEU A 20 -2.824 -1.599 0.787 1.00 54.12 C ATOM 0 H LEU A 20 -5.415 -0.487 -3.499 1.00 24.11 H new ATOM 0 HA LEU A 20 -2.554 0.143 -3.024 1.00 50.04 H new ATOM 0 HB2 LEU A 20 -3.977 0.108 -0.921 1.00 41.41 H new ATOM 0 HB3 LEU A 20 -4.426 -1.536 -1.328 1.00 41.41 H new ATOM 0 HG LEU A 20 -2.076 -2.238 -1.112 1.00 64.31 H new ATOM 0 HD11 LEU A 20 -0.458 -0.686 -0.114 1.00 32.25 H new ATOM 0 HD12 LEU A 20 -1.020 -0.112 -1.702 1.00 32.25 H new ATOM 0 HD13 LEU A 20 -1.658 0.625 -0.213 1.00 32.25 H new ATOM 0 HD21 LEU A 20 -1.961 -1.971 1.338 1.00 54.12 H new ATOM 0 HD22 LEU A 20 -3.183 -0.681 1.252 1.00 54.12 H new ATOM 0 HD23 LEU A 20 -3.616 -2.348 0.804 1.00 54.12 H new ATOM 342 N GLU A 21 -2.173 -1.910 -4.411 1.00 11.01 N ATOM 343 CA GLU A 21 -2.000 -3.089 -5.237 1.00 0.32 C ATOM 344 C GLU A 21 -0.645 -3.667 -5.033 1.00 72.40 C ATOM 345 O GLU A 21 0.335 -2.928 -4.966 1.00 71.24 O ATOM 346 CB GLU A 21 -2.132 -2.760 -6.728 1.00 1.24 C ATOM 347 CG GLU A 21 -3.426 -2.113 -7.161 1.00 71.23 C ATOM 348 CD GLU A 21 -3.506 -1.999 -8.663 1.00 41.53 C ATOM 349 OE1 GLU A 21 -3.016 -1.006 -9.235 1.00 63.22 O ATOM 350 OE2 GLU A 21 -4.046 -2.930 -9.299 1.00 34.02 O ATOM 0 H GLU A 21 -1.395 -1.250 -4.425 1.00 11.01 H new ATOM 0 HA GLU A 21 -2.778 -3.794 -4.944 1.00 0.32 H new ATOM 0 HB2 GLU A 21 -1.310 -2.100 -7.006 1.00 1.24 H new ATOM 0 HB3 GLU A 21 -2.005 -3.683 -7.294 1.00 1.24 H new ATOM 0 HG2 GLU A 21 -4.269 -2.698 -6.793 1.00 71.23 H new ATOM 0 HG3 GLU A 21 -3.507 -1.122 -6.714 1.00 71.23 H new ATOM 357 N MET A 22 -0.553 -4.963 -4.927 1.00 1.34 N ATOM 358 CA MET A 22 0.720 -5.554 -4.885 1.00 72.53 C ATOM 359 C MET A 22 1.040 -6.213 -6.214 1.00 55.25 C ATOM 360 O MET A 22 0.370 -7.156 -6.652 1.00 23.30 O ATOM 361 CB MET A 22 0.917 -6.516 -3.709 1.00 75.41 C ATOM 362 CG MET A 22 -0.007 -7.717 -3.658 1.00 1.11 C ATOM 363 SD MET A 22 0.457 -8.883 -2.349 1.00 33.14 S ATOM 364 CE MET A 22 0.357 -7.832 -0.903 1.00 20.31 C ATOM 0 H MET A 22 -1.342 -5.607 -4.870 1.00 1.34 H new ATOM 0 HA MET A 22 1.433 -4.748 -4.711 1.00 72.53 H new ATOM 0 HB2 MET A 22 1.945 -6.877 -3.731 1.00 75.41 H new ATOM 0 HB3 MET A 22 0.797 -5.953 -2.783 1.00 75.41 H new ATOM 0 HG2 MET A 22 -1.030 -7.379 -3.495 1.00 1.11 H new ATOM 0 HG3 MET A 22 0.011 -8.228 -4.621 1.00 1.11 H new ATOM 0 HE1 MET A 22 0.333 -8.450 -0.005 1.00 20.31 H new ATOM 0 HE2 MET A 22 1.227 -7.176 -0.869 1.00 20.31 H new ATOM 0 HE3 MET A 22 -0.550 -7.229 -0.953 1.00 20.31 H new ATOM 374 N LYS A 23 2.018 -5.669 -6.867 1.00 24.14 N ATOM 375 CA LYS A 23 2.549 -6.188 -8.096 1.00 50.43 C ATOM 376 C LYS A 23 3.942 -5.645 -8.234 1.00 40.14 C ATOM 377 O LYS A 23 4.209 -4.539 -7.768 1.00 75.41 O ATOM 378 CB LYS A 23 1.677 -5.869 -9.360 1.00 25.02 C ATOM 379 CG LYS A 23 1.536 -4.396 -9.790 1.00 55.30 C ATOM 380 CD LYS A 23 0.777 -3.540 -8.795 1.00 23.22 C ATOM 381 CE LYS A 23 0.553 -2.134 -9.344 1.00 44.11 C ATOM 382 NZ LYS A 23 -0.291 -2.131 -10.568 1.00 42.04 N ATOM 0 H LYS A 23 2.488 -4.821 -6.551 1.00 24.14 H new ATOM 0 HA LYS A 23 2.547 -7.277 -8.047 1.00 50.43 H new ATOM 0 HB2 LYS A 23 2.093 -6.424 -10.201 1.00 25.02 H new ATOM 0 HB3 LYS A 23 0.676 -6.262 -9.183 1.00 25.02 H new ATOM 0 HG2 LYS A 23 2.530 -3.973 -9.936 1.00 55.30 H new ATOM 0 HG3 LYS A 23 1.027 -4.355 -10.753 1.00 55.30 H new ATOM 0 HD2 LYS A 23 -0.183 -4.003 -8.569 1.00 23.22 H new ATOM 0 HD3 LYS A 23 1.333 -3.485 -7.859 1.00 23.22 H new ATOM 0 HE2 LYS A 23 0.080 -1.519 -8.578 1.00 44.11 H new ATOM 0 HE3 LYS A 23 1.517 -1.677 -9.569 1.00 44.11 H new ATOM 0 HZ1 LYS A 23 -1.046 -1.423 -10.467 1.00 42.04 H new ATOM 0 HZ2 LYS A 23 0.296 -1.896 -11.394 1.00 42.04 H new ATOM 0 HZ3 LYS A 23 -0.714 -3.072 -10.700 1.00 42.04 H new ATOM 396 N PRO A 24 4.865 -6.390 -8.813 1.00 33.30 N ATOM 397 CA PRO A 24 6.231 -5.934 -8.943 1.00 51.21 C ATOM 398 C PRO A 24 6.333 -4.741 -9.906 1.00 33.22 C ATOM 399 O PRO A 24 5.862 -4.803 -11.046 1.00 54.12 O ATOM 400 CB PRO A 24 6.971 -7.166 -9.467 1.00 72.41 C ATOM 401 CG PRO A 24 5.935 -7.951 -10.179 1.00 43.32 C ATOM 402 CD PRO A 24 4.664 -7.726 -9.416 1.00 50.00 C ATOM 0 HA PRO A 24 6.651 -5.567 -8.006 1.00 51.21 H new ATOM 0 HB2 PRO A 24 7.784 -6.885 -10.136 1.00 72.41 H new ATOM 0 HB3 PRO A 24 7.412 -7.740 -8.652 1.00 72.41 H new ATOM 0 HG2 PRO A 24 5.835 -7.621 -11.213 1.00 43.32 H new ATOM 0 HG3 PRO A 24 6.194 -9.009 -10.205 1.00 43.32 H new ATOM 0 HD2 PRO A 24 3.792 -7.746 -10.070 1.00 50.00 H new ATOM 0 HD3 PRO A 24 4.509 -8.492 -8.656 1.00 50.00 H new ATOM 410 N LYS A 25 6.929 -3.644 -9.422 1.00 40.33 N ATOM 411 CA LYS A 25 7.094 -2.421 -10.215 1.00 75.10 C ATOM 412 C LYS A 25 8.059 -2.746 -11.378 1.00 75.01 C ATOM 413 O LYS A 25 8.025 -2.138 -12.442 1.00 40.23 O ATOM 414 CB LYS A 25 7.628 -1.290 -9.282 1.00 12.45 C ATOM 415 CG LYS A 25 7.471 0.152 -9.780 1.00 3.41 C ATOM 416 CD LYS A 25 8.475 0.506 -10.840 1.00 13.31 C ATOM 417 CE LYS A 25 8.222 1.890 -11.418 1.00 31.33 C ATOM 418 NZ LYS A 25 9.243 2.279 -12.418 1.00 1.22 N ATOM 0 H LYS A 25 7.308 -3.580 -8.477 1.00 40.33 H new ATOM 0 HA LYS A 25 6.154 -2.070 -10.640 1.00 75.10 H new ATOM 0 HB2 LYS A 25 7.120 -1.374 -8.321 1.00 12.45 H new ATOM 0 HB3 LYS A 25 8.687 -1.472 -9.099 1.00 12.45 H new ATOM 0 HG2 LYS A 25 6.465 0.289 -10.177 1.00 3.41 H new ATOM 0 HG3 LYS A 25 7.578 0.837 -8.939 1.00 3.41 H new ATOM 0 HD2 LYS A 25 9.479 0.467 -10.417 1.00 13.31 H new ATOM 0 HD3 LYS A 25 8.436 -0.234 -11.639 1.00 13.31 H new ATOM 0 HE2 LYS A 25 7.236 1.912 -11.882 1.00 31.33 H new ATOM 0 HE3 LYS A 25 8.211 2.622 -10.610 1.00 31.33 H new ATOM 0 HZ1 LYS A 25 9.608 3.226 -12.191 1.00 1.22 H new ATOM 0 HZ2 LYS A 25 10.025 1.593 -12.401 1.00 1.22 H new ATOM 0 HZ3 LYS A 25 8.814 2.291 -13.365 1.00 1.22 H new ATOM 432 N TYR A 26 8.892 -3.733 -11.131 1.00 52.13 N ATOM 433 CA TYR A 26 9.779 -4.325 -12.096 1.00 21.35 C ATOM 434 C TYR A 26 9.674 -5.816 -11.939 1.00 64.32 C ATOM 435 O TYR A 26 9.520 -6.285 -10.830 1.00 43.11 O ATOM 436 CB TYR A 26 11.238 -3.876 -11.881 1.00 40.40 C ATOM 437 CG TYR A 26 11.540 -2.506 -12.385 1.00 72.45 C ATOM 438 CD1 TYR A 26 11.329 -1.386 -11.607 1.00 34.35 C ATOM 439 CD2 TYR A 26 12.044 -2.339 -13.663 1.00 33.23 C ATOM 440 CE1 TYR A 26 11.603 -0.131 -12.091 1.00 71.12 C ATOM 441 CE2 TYR A 26 12.326 -1.087 -14.155 1.00 5.40 C ATOM 442 CZ TYR A 26 12.098 0.015 -13.362 1.00 45.42 C ATOM 443 OH TYR A 26 12.366 1.274 -13.844 1.00 40.13 O ATOM 0 H TYR A 26 8.969 -4.161 -10.208 1.00 52.13 H new ATOM 0 HA TYR A 26 9.494 -4.008 -13.099 1.00 21.35 H new ATOM 0 HB2 TYR A 26 11.465 -3.916 -10.816 1.00 40.40 H new ATOM 0 HB3 TYR A 26 11.901 -4.586 -12.375 1.00 40.40 H new ATOM 0 HD1 TYR A 26 10.943 -1.498 -10.604 1.00 34.35 H new ATOM 0 HD2 TYR A 26 12.218 -3.206 -14.283 1.00 33.23 H new ATOM 0 HE1 TYR A 26 11.430 0.738 -11.474 1.00 71.12 H new ATOM 0 HE2 TYR A 26 12.722 -0.969 -15.153 1.00 5.40 H new ATOM 0 HH TYR A 26 12.712 1.207 -14.759 1.00 40.13 H new ATOM 453 N PRO A 27 9.733 -6.595 -13.021 1.00 4.22 N ATOM 454 CA PRO A 27 9.668 -8.061 -12.928 1.00 3.45 C ATOM 455 C PRO A 27 10.828 -8.626 -12.097 1.00 21.33 C ATOM 456 O PRO A 27 10.764 -9.743 -11.592 1.00 55.15 O ATOM 457 CB PRO A 27 9.772 -8.526 -14.385 1.00 3.13 C ATOM 458 CG PRO A 27 9.378 -7.341 -15.197 1.00 72.54 C ATOM 459 CD PRO A 27 9.835 -6.140 -14.419 1.00 31.44 C ATOM 0 HA PRO A 27 8.759 -8.402 -12.433 1.00 3.45 H new ATOM 0 HB2 PRO A 27 10.785 -8.850 -14.625 1.00 3.13 H new ATOM 0 HB3 PRO A 27 9.113 -9.373 -14.577 1.00 3.13 H new ATOM 0 HG2 PRO A 27 9.844 -7.369 -16.182 1.00 72.54 H new ATOM 0 HG3 PRO A 27 8.300 -7.317 -15.356 1.00 72.54 H new ATOM 0 HD2 PRO A 27 10.855 -5.855 -14.678 1.00 31.44 H new ATOM 0 HD3 PRO A 27 9.204 -5.272 -14.608 1.00 31.44 H new ATOM 467 N HIS A 28 11.871 -7.826 -11.953 1.00 64.23 N ATOM 468 CA HIS A 28 13.058 -8.179 -11.175 1.00 24.02 C ATOM 469 C HIS A 28 12.948 -7.672 -9.716 1.00 34.33 C ATOM 470 O HIS A 28 13.946 -7.310 -9.099 1.00 22.24 O ATOM 471 CB HIS A 28 14.350 -7.629 -11.849 1.00 4.33 C ATOM 472 CG HIS A 28 14.441 -6.129 -12.000 1.00 31.33 C ATOM 473 ND1 HIS A 28 14.914 -5.317 -11.010 1.00 63.44 N ATOM 474 CD2 HIS A 28 14.152 -5.296 -13.042 1.00 42.03 C ATOM 475 CE1 HIS A 28 14.915 -4.080 -11.418 1.00 23.41 C ATOM 476 NE2 HIS A 28 14.468 -4.035 -12.641 1.00 25.02 N ATOM 0 H HIS A 28 11.923 -6.900 -12.377 1.00 64.23 H new ATOM 0 HA HIS A 28 13.121 -9.267 -11.148 1.00 24.02 H new ATOM 0 HB2 HIS A 28 15.209 -7.967 -11.269 1.00 4.33 H new ATOM 0 HB3 HIS A 28 14.437 -8.078 -12.838 1.00 4.33 H new ATOM 0 HD1 HIS A 28 15.221 -5.632 -10.089 1.00 63.44 H new ATOM 0 HD2 HIS A 28 13.749 -5.583 -14.002 1.00 42.03 H new ATOM 0 HE1 HIS A 28 15.235 -3.228 -10.836 1.00 23.41 H new ATOM 0 HE2 HIS A 28 14.371 -3.191 -13.206 1.00 25.02 H new ATOM 485 N CYS A 29 11.758 -7.719 -9.166 1.00 62.35 N ATOM 486 CA CYS A 29 11.518 -7.290 -7.793 1.00 61.41 C ATOM 487 C CYS A 29 11.254 -8.513 -6.934 1.00 73.52 C ATOM 488 O CYS A 29 10.804 -9.549 -7.448 1.00 11.13 O ATOM 489 CB CYS A 29 10.277 -6.372 -7.719 1.00 63.12 C ATOM 490 SG CYS A 29 10.407 -4.713 -8.488 1.00 11.23 S ATOM 0 H CYS A 29 10.925 -8.054 -9.650 1.00 62.35 H new ATOM 0 HA CYS A 29 12.393 -6.745 -7.440 1.00 61.41 H new ATOM 0 HB2 CYS A 29 9.443 -6.895 -8.186 1.00 63.12 H new ATOM 0 HB3 CYS A 29 10.020 -6.237 -6.668 1.00 63.12 H new ATOM 495 N GLU A 30 11.544 -8.412 -5.639 1.00 3.23 N ATOM 496 CA GLU A 30 11.308 -9.503 -4.727 1.00 73.51 C ATOM 497 C GLU A 30 9.835 -9.508 -4.428 1.00 3.31 C ATOM 498 O GLU A 30 9.310 -8.466 -4.017 1.00 3.42 O ATOM 499 CB GLU A 30 12.019 -9.193 -3.421 1.00 0.14 C ATOM 500 CG GLU A 30 13.441 -8.830 -3.552 1.00 10.32 C ATOM 501 CD GLU A 30 14.043 -8.414 -2.242 1.00 15.11 C ATOM 502 OE1 GLU A 30 13.771 -7.277 -1.784 1.00 45.24 O ATOM 503 OE2 GLU A 30 14.792 -9.206 -1.652 1.00 2.12 O ATOM 0 H GLU A 30 11.944 -7.579 -5.207 1.00 3.23 H new ATOM 0 HA GLU A 30 11.652 -10.448 -5.147 1.00 73.51 H new ATOM 0 HB2 GLU A 30 11.496 -8.375 -2.926 1.00 0.14 H new ATOM 0 HB3 GLU A 30 11.941 -10.062 -2.768 1.00 0.14 H new ATOM 0 HG2 GLU A 30 13.996 -9.679 -3.951 1.00 10.32 H new ATOM 0 HG3 GLU A 30 13.542 -8.017 -4.271 1.00 10.32 H new ATOM 510 N GLU A 31 9.174 -10.664 -4.564 1.00 13.43 N ATOM 511 CA GLU A 31 7.726 -10.760 -4.319 1.00 65.20 C ATOM 512 C GLU A 31 6.997 -9.648 -5.162 1.00 53.22 C ATOM 513 O GLU A 31 7.531 -9.178 -6.190 1.00 13.43 O ATOM 514 CB GLU A 31 7.485 -10.660 -2.762 1.00 24.31 C ATOM 515 CG GLU A 31 6.036 -10.818 -2.259 1.00 21.33 C ATOM 516 CD GLU A 31 5.347 -12.050 -2.790 1.00 10.22 C ATOM 517 OE1 GLU A 31 4.719 -11.967 -3.864 1.00 12.13 O ATOM 518 OE2 GLU A 31 5.412 -13.115 -2.142 1.00 14.55 O ATOM 0 H GLU A 31 9.613 -11.542 -4.840 1.00 13.43 H new ATOM 0 HA GLU A 31 7.306 -11.712 -4.643 1.00 65.20 H new ATOM 0 HB2 GLU A 31 8.095 -11.422 -2.277 1.00 24.31 H new ATOM 0 HB3 GLU A 31 7.855 -9.692 -2.425 1.00 24.31 H new ATOM 0 HG2 GLU A 31 6.040 -10.854 -1.170 1.00 21.33 H new ATOM 0 HG3 GLU A 31 5.462 -9.937 -2.547 1.00 21.33 H new ATOM 525 N LYS A 32 5.816 -9.304 -4.807 1.00 13.53 N ATOM 526 CA LYS A 32 5.121 -8.233 -5.457 1.00 33.34 C ATOM 527 C LYS A 32 5.413 -6.967 -4.678 1.00 61.25 C ATOM 528 O LYS A 32 5.530 -7.013 -3.467 1.00 32.15 O ATOM 529 CB LYS A 32 3.626 -8.490 -5.401 1.00 52.03 C ATOM 530 CG LYS A 32 3.225 -9.897 -5.746 1.00 62.03 C ATOM 531 CD LYS A 32 3.638 -10.314 -7.137 1.00 51.53 C ATOM 532 CE LYS A 32 3.344 -11.793 -7.354 1.00 11.12 C ATOM 533 NZ LYS A 32 4.129 -12.658 -6.428 1.00 10.23 N ATOM 0 H LYS A 32 5.293 -9.753 -4.055 1.00 13.53 H new ATOM 0 HA LYS A 32 5.439 -8.149 -6.496 1.00 33.34 H new ATOM 0 HB2 LYS A 32 3.267 -8.258 -4.398 1.00 52.03 H new ATOM 0 HB3 LYS A 32 3.126 -7.804 -6.085 1.00 52.03 H new ATOM 0 HG2 LYS A 32 3.669 -10.581 -5.023 1.00 62.03 H new ATOM 0 HG3 LYS A 32 2.143 -9.992 -5.652 1.00 62.03 H new ATOM 0 HD2 LYS A 32 3.104 -9.718 -7.877 1.00 51.53 H new ATOM 0 HD3 LYS A 32 4.701 -10.123 -7.281 1.00 51.53 H new ATOM 0 HE2 LYS A 32 2.280 -11.977 -7.208 1.00 11.12 H new ATOM 0 HE3 LYS A 32 3.575 -12.062 -8.385 1.00 11.12 H new ATOM 0 HZ1 LYS A 32 3.863 -13.653 -6.573 1.00 10.23 H new ATOM 0 HZ2 LYS A 32 5.144 -12.540 -6.620 1.00 10.23 H new ATOM 0 HZ3 LYS A 32 3.928 -12.386 -5.445 1.00 10.23 H new ATOM 547 N MET A 33 5.532 -5.859 -5.346 1.00 63.20 N ATOM 548 CA MET A 33 5.771 -4.606 -4.627 1.00 33.31 C ATOM 549 C MET A 33 4.436 -4.057 -4.216 1.00 63.24 C ATOM 550 O MET A 33 3.435 -4.295 -4.884 1.00 72.33 O ATOM 551 CB MET A 33 6.483 -3.553 -5.495 1.00 4.14 C ATOM 552 CG MET A 33 7.889 -3.878 -6.053 1.00 71.40 C ATOM 553 SD MET A 33 9.274 -3.880 -4.857 1.00 74.03 S ATOM 554 CE MET A 33 8.976 -5.351 -3.893 1.00 50.41 C ATOM 0 H MET A 33 5.472 -5.777 -6.361 1.00 63.20 H new ATOM 0 HA MET A 33 6.416 -4.818 -3.774 1.00 33.31 H new ATOM 0 HB2 MET A 33 5.835 -3.330 -6.342 1.00 4.14 H new ATOM 0 HB3 MET A 33 6.564 -2.639 -4.906 1.00 4.14 H new ATOM 0 HG2 MET A 33 7.848 -4.859 -6.526 1.00 71.40 H new ATOM 0 HG3 MET A 33 8.118 -3.156 -6.837 1.00 71.40 H new ATOM 0 HE1 MET A 33 9.909 -5.683 -3.438 1.00 50.41 H new ATOM 0 HE2 MET A 33 8.249 -5.132 -3.111 1.00 50.41 H new ATOM 0 HE3 MET A 33 8.587 -6.137 -4.540 1.00 50.41 H new ATOM 564 N VAL A 34 4.411 -3.316 -3.162 1.00 63.34 N ATOM 565 CA VAL A 34 3.177 -2.758 -2.693 1.00 41.32 C ATOM 566 C VAL A 34 3.066 -1.330 -3.157 1.00 5.23 C ATOM 567 O VAL A 34 3.804 -0.462 -2.707 1.00 73.45 O ATOM 568 CB VAL A 34 3.068 -2.847 -1.157 1.00 3.30 C ATOM 569 CG1 VAL A 34 1.781 -2.211 -0.659 1.00 35.20 C ATOM 570 CG2 VAL A 34 3.141 -4.301 -0.718 1.00 34.34 C ATOM 0 H VAL A 34 5.230 -3.078 -2.603 1.00 63.34 H new ATOM 0 HA VAL A 34 2.351 -3.336 -3.108 1.00 41.32 H new ATOM 0 HB VAL A 34 3.903 -2.297 -0.722 1.00 3.30 H new ATOM 0 HG11 VAL A 34 1.733 -2.289 0.427 1.00 35.20 H new ATOM 0 HG12 VAL A 34 1.759 -1.160 -0.948 1.00 35.20 H new ATOM 0 HG13 VAL A 34 0.927 -2.726 -1.098 1.00 35.20 H new ATOM 0 HG21 VAL A 34 3.064 -4.358 0.368 1.00 34.34 H new ATOM 0 HG22 VAL A 34 2.321 -4.859 -1.170 1.00 34.34 H new ATOM 0 HG23 VAL A 34 4.091 -4.730 -1.037 1.00 34.34 H new ATOM 580 N ILE A 35 2.159 -1.105 -4.059 1.00 22.23 N ATOM 581 CA ILE A 35 1.958 0.185 -4.654 1.00 73.45 C ATOM 582 C ILE A 35 0.828 0.886 -3.952 1.00 53.04 C ATOM 583 O ILE A 35 -0.303 0.380 -3.920 1.00 55.31 O ATOM 584 CB ILE A 35 1.591 0.039 -6.146 1.00 14.33 C ATOM 585 CG1 ILE A 35 2.645 -0.787 -6.890 1.00 4.30 C ATOM 586 CG2 ILE A 35 1.395 1.399 -6.801 1.00 1.35 C ATOM 587 CD1 ILE A 35 4.052 -0.201 -6.885 1.00 0.13 C ATOM 0 H ILE A 35 1.526 -1.824 -4.409 1.00 22.23 H new ATOM 0 HA ILE A 35 2.881 0.758 -4.561 1.00 73.45 H new ATOM 0 HB ILE A 35 0.643 -0.495 -6.206 1.00 14.33 H new ATOM 0 HG12 ILE A 35 2.682 -1.782 -6.448 1.00 4.30 H new ATOM 0 HG13 ILE A 35 2.324 -0.910 -7.924 1.00 4.30 H new ATOM 0 HG21 ILE A 35 1.137 1.263 -7.851 1.00 1.35 H new ATOM 0 HG22 ILE A 35 0.590 1.933 -6.296 1.00 1.35 H new ATOM 0 HG23 ILE A 35 2.317 1.976 -6.725 1.00 1.35 H new ATOM 0 HD11 ILE A 35 4.722 -0.860 -7.437 1.00 0.13 H new ATOM 0 HD12 ILE A 35 4.039 0.781 -7.357 1.00 0.13 H new ATOM 0 HD13 ILE A 35 4.403 -0.105 -5.857 1.00 0.13 H new ATOM 599 N ILE A 36 1.118 2.021 -3.385 1.00 52.13 N ATOM 600 CA ILE A 36 0.122 2.781 -2.703 1.00 20.30 C ATOM 601 C ILE A 36 -0.252 3.985 -3.534 1.00 70.54 C ATOM 602 O ILE A 36 0.619 4.698 -4.046 1.00 31.35 O ATOM 603 CB ILE A 36 0.601 3.273 -1.337 1.00 4.12 C ATOM 604 CG1 ILE A 36 1.173 2.129 -0.520 1.00 4.25 C ATOM 605 CG2 ILE A 36 -0.568 3.910 -0.585 1.00 61.13 C ATOM 606 CD1 ILE A 36 1.659 2.566 0.825 1.00 41.32 C ATOM 0 H ILE A 36 2.048 2.441 -3.384 1.00 52.13 H new ATOM 0 HA ILE A 36 -0.734 2.124 -2.552 1.00 20.30 H new ATOM 0 HB ILE A 36 1.387 4.012 -1.490 1.00 4.12 H new ATOM 0 HG12 ILE A 36 0.410 1.361 -0.394 1.00 4.25 H new ATOM 0 HG13 ILE A 36 1.997 1.673 -1.069 1.00 4.25 H new ATOM 0 HG21 ILE A 36 -0.226 4.261 0.389 1.00 61.13 H new ATOM 0 HG22 ILE A 36 -0.954 4.752 -1.159 1.00 61.13 H new ATOM 0 HG23 ILE A 36 -1.358 3.172 -0.448 1.00 61.13 H new ATOM 0 HD11 ILE A 36 2.057 1.707 1.365 1.00 41.32 H new ATOM 0 HD12 ILE A 36 2.443 3.313 0.703 1.00 41.32 H new ATOM 0 HD13 ILE A 36 0.831 2.997 1.389 1.00 41.32 H new ATOM 618 N THR A 37 -1.513 4.193 -3.665 1.00 12.54 N ATOM 619 CA THR A 37 -2.060 5.289 -4.421 1.00 54.44 C ATOM 620 C THR A 37 -2.991 6.115 -3.505 1.00 53.11 C ATOM 621 O THR A 37 -3.932 5.560 -2.919 1.00 22.45 O ATOM 622 CB THR A 37 -2.844 4.721 -5.623 1.00 21.52 C ATOM 623 OG1 THR A 37 -1.967 3.874 -6.393 1.00 72.32 O ATOM 624 CG2 THR A 37 -3.388 5.827 -6.510 1.00 52.41 C ATOM 0 H THR A 37 -2.223 3.595 -3.242 1.00 12.54 H new ATOM 0 HA THR A 37 -1.265 5.937 -4.790 1.00 54.44 H new ATOM 0 HB THR A 37 -3.692 4.151 -5.243 1.00 21.52 H new ATOM 0 HG1 THR A 37 -2.456 3.506 -7.159 1.00 72.32 H new ATOM 0 HG21 THR A 37 -3.934 5.388 -7.345 1.00 52.41 H new ATOM 0 HG22 THR A 37 -4.059 6.461 -5.931 1.00 52.41 H new ATOM 0 HG23 THR A 37 -2.562 6.427 -6.892 1.00 52.41 H new ATOM 632 N THR A 38 -2.725 7.412 -3.368 1.00 3.14 N ATOM 633 CA THR A 38 -3.519 8.249 -2.482 1.00 14.32 C ATOM 634 C THR A 38 -4.845 8.722 -3.139 1.00 64.13 C ATOM 635 O THR A 38 -4.977 8.687 -4.360 1.00 41.41 O ATOM 636 CB THR A 38 -2.676 9.417 -1.919 1.00 3.54 C ATOM 637 OG1 THR A 38 -2.023 10.148 -2.981 1.00 21.52 O ATOM 638 CG2 THR A 38 -1.616 8.896 -0.954 1.00 62.23 C ATOM 0 H THR A 38 -1.973 7.899 -3.855 1.00 3.14 H new ATOM 0 HA THR A 38 -3.820 7.634 -1.634 1.00 14.32 H new ATOM 0 HB THR A 38 -3.357 10.085 -1.392 1.00 3.54 H new ATOM 0 HG1 THR A 38 -1.503 10.886 -2.599 1.00 21.52 H new ATOM 0 HG21 THR A 38 -1.033 9.732 -0.568 1.00 62.23 H new ATOM 0 HG22 THR A 38 -2.101 8.379 -0.126 1.00 62.23 H new ATOM 0 HG23 THR A 38 -0.956 8.204 -1.477 1.00 62.23 H new ATOM 646 N LYS A 39 -5.823 9.144 -2.318 1.00 2.14 N ATOM 647 CA LYS A 39 -7.184 9.420 -2.809 1.00 21.42 C ATOM 648 C LYS A 39 -7.367 10.741 -3.560 1.00 5.32 C ATOM 649 O LYS A 39 -7.867 10.721 -4.690 1.00 61.23 O ATOM 650 CB LYS A 39 -8.192 9.276 -1.649 1.00 72.20 C ATOM 651 CG LYS A 39 -9.663 9.427 -2.031 1.00 22.31 C ATOM 652 CD LYS A 39 -10.562 9.202 -0.817 1.00 23.22 C ATOM 653 CE LYS A 39 -12.047 9.263 -1.170 1.00 73.22 C ATOM 654 NZ LYS A 39 -12.457 10.582 -1.684 1.00 44.44 N ATOM 0 H LYS A 39 -5.697 9.300 -1.318 1.00 2.14 H new ATOM 0 HA LYS A 39 -7.379 8.669 -3.575 1.00 21.42 H new ATOM 0 HB2 LYS A 39 -8.053 8.297 -1.190 1.00 72.20 H new ATOM 0 HB3 LYS A 39 -7.954 10.021 -0.890 1.00 72.20 H new ATOM 0 HG2 LYS A 39 -9.837 10.422 -2.439 1.00 22.31 H new ATOM 0 HG3 LYS A 39 -9.916 8.712 -2.814 1.00 22.31 H new ATOM 0 HD2 LYS A 39 -10.336 8.231 -0.377 1.00 23.22 H new ATOM 0 HD3 LYS A 39 -10.340 9.955 -0.060 1.00 23.22 H new ATOM 0 HE2 LYS A 39 -12.270 8.501 -1.917 1.00 73.22 H new ATOM 0 HE3 LYS A 39 -12.637 9.023 -0.285 1.00 73.22 H new ATOM 0 HZ1 LYS A 39 -13.485 10.588 -1.843 1.00 44.44 H new ATOM 0 HZ2 LYS A 39 -12.209 11.317 -0.991 1.00 44.44 H new ATOM 0 HZ3 LYS A 39 -11.966 10.773 -2.581 1.00 44.44 H new ATOM 668 N SER A 40 -6.922 11.865 -2.994 1.00 33.11 N ATOM 669 CA SER A 40 -7.110 13.193 -3.639 1.00 21.14 C ATOM 670 C SER A 40 -6.308 14.301 -2.951 1.00 24.44 C ATOM 671 O SER A 40 -5.375 14.841 -3.536 1.00 0.10 O ATOM 672 CB SER A 40 -8.608 13.631 -3.670 1.00 15.04 C ATOM 673 OG SER A 40 -9.433 12.748 -4.425 1.00 21.44 O ATOM 0 H SER A 40 -6.432 11.897 -2.100 1.00 33.11 H new ATOM 0 HA SER A 40 -6.745 13.061 -4.657 1.00 21.14 H new ATOM 0 HB2 SER A 40 -8.985 13.687 -2.649 1.00 15.04 H new ATOM 0 HB3 SER A 40 -8.679 14.634 -4.091 1.00 15.04 H new ATOM 0 HG SER A 40 -8.879 12.049 -4.831 1.00 21.44 H new ATOM 679 N VAL A 41 -6.669 14.618 -1.688 1.00 23.12 N ATOM 680 CA VAL A 41 -6.082 15.773 -0.962 1.00 24.22 C ATOM 681 C VAL A 41 -4.613 15.574 -0.622 1.00 15.23 C ATOM 682 O VAL A 41 -3.944 16.492 -0.140 1.00 41.23 O ATOM 683 CB VAL A 41 -6.877 16.166 0.314 1.00 51.41 C ATOM 684 CG1 VAL A 41 -8.313 16.522 -0.031 1.00 52.44 C ATOM 685 CG2 VAL A 41 -6.829 15.073 1.359 1.00 30.33 C ATOM 0 H VAL A 41 -7.360 14.095 -1.150 1.00 23.12 H new ATOM 0 HA VAL A 41 -6.157 16.602 -1.665 1.00 24.22 H new ATOM 0 HB VAL A 41 -6.399 17.048 0.740 1.00 51.41 H new ATOM 0 HG11 VAL A 41 -8.849 16.794 0.878 1.00 52.44 H new ATOM 0 HG12 VAL A 41 -8.323 17.364 -0.723 1.00 52.44 H new ATOM 0 HG13 VAL A 41 -8.799 15.664 -0.496 1.00 52.44 H new ATOM 0 HG21 VAL A 41 -7.396 15.384 2.237 1.00 30.33 H new ATOM 0 HG22 VAL A 41 -7.263 14.160 0.951 1.00 30.33 H new ATOM 0 HG23 VAL A 41 -5.793 14.887 1.643 1.00 30.33 H new ATOM 695 N SER A 42 -4.134 14.384 -0.841 1.00 60.15 N ATOM 696 CA SER A 42 -2.750 14.093 -0.708 1.00 24.03 C ATOM 697 C SER A 42 -1.986 14.896 -1.738 1.00 30.42 C ATOM 698 O SER A 42 -2.445 15.050 -2.871 1.00 55.35 O ATOM 699 CB SER A 42 -2.523 12.606 -0.949 1.00 14.23 C ATOM 700 OG SER A 42 -1.140 12.267 -0.986 1.00 23.44 O ATOM 0 H SER A 42 -4.705 13.586 -1.119 1.00 60.15 H new ATOM 0 HA SER A 42 -2.406 14.351 0.294 1.00 24.03 H new ATOM 0 HB2 SER A 42 -3.014 12.034 -0.161 1.00 14.23 H new ATOM 0 HB3 SER A 42 -2.990 12.318 -1.891 1.00 14.23 H new ATOM 0 HG SER A 42 -0.872 11.890 -0.122 1.00 23.44 H new ATOM 706 N ARG A 43 -0.829 15.380 -1.355 1.00 72.41 N ATOM 707 CA ARG A 43 0.037 16.169 -2.230 1.00 13.24 C ATOM 708 C ARG A 43 0.460 15.332 -3.438 1.00 33.44 C ATOM 709 O ARG A 43 0.853 15.856 -4.471 1.00 2.42 O ATOM 710 CB ARG A 43 1.271 16.604 -1.445 1.00 32.11 C ATOM 711 CG ARG A 43 0.943 17.429 -0.211 1.00 71.23 C ATOM 712 CD ARG A 43 2.177 17.691 0.633 1.00 52.42 C ATOM 713 NE ARG A 43 3.212 18.440 -0.088 1.00 55.04 N ATOM 714 CZ ARG A 43 4.468 18.597 0.344 1.00 53.32 C ATOM 715 NH1 ARG A 43 4.863 18.009 1.469 1.00 21.44 N ATOM 716 NH2 ARG A 43 5.321 19.332 -0.352 1.00 45.30 N ATOM 0 H ARG A 43 -0.449 15.241 -0.419 1.00 72.41 H new ATOM 0 HA ARG A 43 -0.503 17.047 -2.584 1.00 13.24 H new ATOM 0 HB2 ARG A 43 1.831 15.719 -1.143 1.00 32.11 H new ATOM 0 HB3 ARG A 43 1.922 17.185 -2.099 1.00 32.11 H new ATOM 0 HG2 ARG A 43 0.501 18.378 -0.515 1.00 71.23 H new ATOM 0 HG3 ARG A 43 0.197 16.907 0.388 1.00 71.23 H new ATOM 0 HD2 ARG A 43 1.889 18.246 1.526 1.00 52.42 H new ATOM 0 HD3 ARG A 43 2.591 16.740 0.968 1.00 52.42 H new ATOM 0 HE ARG A 43 2.957 18.869 -0.977 1.00 55.04 H new ATOM 0 HH11 ARG A 43 4.208 17.438 2.003 1.00 21.44 H new ATOM 0 HH12 ARG A 43 5.821 18.129 1.798 1.00 21.44 H new ATOM 0 HH21 ARG A 43 5.021 19.779 -1.218 1.00 45.30 H new ATOM 0 HH22 ARG A 43 6.279 19.451 -0.022 1.00 45.30 H new ATOM 730 N TYR A 44 0.365 14.024 -3.280 1.00 63.12 N ATOM 731 CA TYR A 44 0.693 13.087 -4.322 1.00 3.25 C ATOM 732 C TYR A 44 -0.470 12.890 -5.295 1.00 23.24 C ATOM 733 O TYR A 44 -0.255 12.539 -6.438 1.00 53.51 O ATOM 734 CB TYR A 44 1.198 11.760 -3.714 1.00 23.35 C ATOM 735 CG TYR A 44 2.552 11.927 -3.052 1.00 33.11 C ATOM 736 CD1 TYR A 44 2.658 12.436 -1.768 1.00 41.25 C ATOM 737 CD2 TYR A 44 3.728 11.624 -3.736 1.00 3.25 C ATOM 738 CE1 TYR A 44 3.888 12.646 -1.185 1.00 61.25 C ATOM 739 CE2 TYR A 44 4.965 11.819 -3.151 1.00 65.41 C ATOM 740 CZ TYR A 44 5.037 12.338 -1.877 1.00 31.33 C ATOM 741 OH TYR A 44 6.269 12.556 -1.290 1.00 61.03 O ATOM 0 H TYR A 44 0.054 13.585 -2.413 1.00 63.12 H new ATOM 0 HA TYR A 44 1.508 13.502 -4.915 1.00 3.25 H new ATOM 0 HB2 TYR A 44 0.477 11.397 -2.982 1.00 23.35 H new ATOM 0 HB3 TYR A 44 1.266 11.004 -4.496 1.00 23.35 H new ATOM 0 HD1 TYR A 44 1.761 12.672 -1.215 1.00 41.25 H new ATOM 0 HD2 TYR A 44 3.672 11.230 -4.740 1.00 3.25 H new ATOM 0 HE1 TYR A 44 3.951 13.052 -0.186 1.00 61.25 H new ATOM 0 HE2 TYR A 44 5.867 11.567 -3.688 1.00 65.41 H new ATOM 0 HH TYR A 44 6.979 12.285 -1.909 1.00 61.03 H new ATOM 751 N ARG A 45 -1.700 13.135 -4.827 1.00 33.30 N ATOM 752 CA ARG A 45 -2.919 13.040 -5.642 1.00 71.14 C ATOM 753 C ARG A 45 -3.015 11.660 -6.362 1.00 63.14 C ATOM 754 O ARG A 45 -3.559 11.548 -7.457 1.00 34.30 O ATOM 755 CB ARG A 45 -2.903 14.168 -6.681 1.00 52.03 C ATOM 756 CG ARG A 45 -4.232 14.390 -7.355 1.00 41.34 C ATOM 757 CD ARG A 45 -4.104 15.308 -8.552 1.00 52.44 C ATOM 758 NE ARG A 45 -3.543 16.614 -8.217 1.00 54.13 N ATOM 759 CZ ARG A 45 -2.931 17.419 -9.093 1.00 33.11 C ATOM 760 NH1 ARG A 45 -2.831 17.057 -10.374 1.00 61.30 N ATOM 761 NH2 ARG A 45 -2.435 18.580 -8.694 1.00 0.52 N ATOM 0 H ARG A 45 -1.880 13.408 -3.861 1.00 33.30 H new ATOM 0 HA ARG A 45 -3.787 13.135 -4.990 1.00 71.14 H new ATOM 0 HB2 ARG A 45 -2.593 15.093 -6.195 1.00 52.03 H new ATOM 0 HB3 ARG A 45 -2.154 13.940 -7.440 1.00 52.03 H new ATOM 0 HG2 ARG A 45 -4.644 13.432 -7.673 1.00 41.34 H new ATOM 0 HG3 ARG A 45 -4.936 14.818 -6.641 1.00 41.34 H new ATOM 0 HD2 ARG A 45 -3.474 14.831 -9.302 1.00 52.44 H new ATOM 0 HD3 ARG A 45 -5.087 15.446 -9.002 1.00 52.44 H new ATOM 0 HE ARG A 45 -3.623 16.933 -7.252 1.00 54.13 H new ATOM 0 HH11 ARG A 45 -3.221 16.167 -10.684 1.00 61.30 H new ATOM 0 HH12 ARG A 45 -2.365 17.670 -11.042 1.00 61.30 H new ATOM 0 HH21 ARG A 45 -2.519 18.862 -7.717 1.00 0.52 H new ATOM 0 HH22 ARG A 45 -1.969 19.192 -9.363 1.00 0.52 H new ATOM 775 N GLY A 46 -2.535 10.621 -5.730 1.00 35.10 N ATOM 776 CA GLY A 46 -2.558 9.325 -6.365 1.00 15.55 C ATOM 777 C GLY A 46 -1.226 8.940 -6.975 1.00 73.35 C ATOM 778 O GLY A 46 -1.132 7.943 -7.696 1.00 5.31 O ATOM 0 H GLY A 46 -2.130 10.642 -4.794 1.00 35.10 H new ATOM 0 HA2 GLY A 46 -2.846 8.572 -5.631 1.00 15.55 H new ATOM 0 HA3 GLY A 46 -3.322 9.321 -7.143 1.00 15.55 H new ATOM 782 N GLN A 47 -0.200 9.736 -6.707 1.00 35.21 N ATOM 783 CA GLN A 47 1.150 9.404 -7.132 1.00 11.44 C ATOM 784 C GLN A 47 1.580 8.247 -6.208 1.00 62.44 C ATOM 785 O GLN A 47 1.078 8.130 -5.068 1.00 42.42 O ATOM 786 CB GLN A 47 2.061 10.654 -7.004 1.00 60.22 C ATOM 787 CG GLN A 47 3.339 10.717 -7.873 1.00 33.25 C ATOM 788 CD GLN A 47 4.396 9.692 -7.550 1.00 62.12 C ATOM 789 OE1 GLN A 47 4.411 8.607 -8.113 1.00 63.20 O ATOM 790 NE2 GLN A 47 5.293 10.031 -6.658 1.00 64.43 N ATOM 0 H GLN A 47 -0.278 10.616 -6.197 1.00 35.21 H new ATOM 0 HA GLN A 47 1.217 9.100 -8.177 1.00 11.44 H new ATOM 0 HB2 GLN A 47 1.457 11.532 -7.235 1.00 60.22 H new ATOM 0 HB3 GLN A 47 2.363 10.741 -5.960 1.00 60.22 H new ATOM 0 HG2 GLN A 47 3.052 10.601 -8.918 1.00 33.25 H new ATOM 0 HG3 GLN A 47 3.778 11.710 -7.771 1.00 33.25 H new ATOM 0 HE21 GLN A 47 5.246 10.946 -6.210 1.00 64.43 H new ATOM 0 HE22 GLN A 47 6.038 9.380 -6.411 1.00 64.43 H new ATOM 799 N GLU A 48 2.480 7.450 -6.651 1.00 11.12 N ATOM 800 CA GLU A 48 2.718 6.178 -6.041 1.00 20.53 C ATOM 801 C GLU A 48 3.795 6.191 -4.971 1.00 43.22 C ATOM 802 O GLU A 48 4.849 6.832 -5.103 1.00 62.34 O ATOM 803 CB GLU A 48 3.062 5.160 -7.119 1.00 51.43 C ATOM 804 CG GLU A 48 2.015 5.090 -8.219 1.00 4.54 C ATOM 805 CD GLU A 48 2.358 4.103 -9.292 1.00 2.21 C ATOM 806 OE1 GLU A 48 3.424 4.249 -9.936 1.00 14.31 O ATOM 807 OE2 GLU A 48 1.553 3.186 -9.548 1.00 64.30 O ATOM 0 H GLU A 48 3.080 7.654 -7.450 1.00 11.12 H new ATOM 0 HA GLU A 48 1.797 5.904 -5.526 1.00 20.53 H new ATOM 0 HB2 GLU A 48 4.027 5.414 -7.558 1.00 51.43 H new ATOM 0 HB3 GLU A 48 3.169 4.176 -6.662 1.00 51.43 H new ATOM 0 HG2 GLU A 48 1.053 4.823 -7.781 1.00 4.54 H new ATOM 0 HG3 GLU A 48 1.898 6.078 -8.665 1.00 4.54 H new ATOM 814 N HIS A 49 3.491 5.501 -3.910 1.00 51.33 N ATOM 815 CA HIS A 49 4.403 5.218 -2.818 1.00 41.12 C ATOM 816 C HIS A 49 4.543 3.726 -2.786 1.00 22.42 C ATOM 817 O HIS A 49 3.651 3.034 -3.278 1.00 13.34 O ATOM 818 CB HIS A 49 3.851 5.685 -1.466 1.00 42.43 C ATOM 819 CG HIS A 49 3.692 7.159 -1.297 1.00 64.14 C ATOM 820 ND1 HIS A 49 4.644 7.947 -0.710 1.00 54.44 N ATOM 821 CD2 HIS A 49 2.646 7.983 -1.573 1.00 1.41 C ATOM 822 CE1 HIS A 49 4.195 9.178 -0.628 1.00 73.23 C ATOM 823 NE2 HIS A 49 2.988 9.225 -1.143 1.00 11.31 N ATOM 0 H HIS A 49 2.564 5.099 -3.768 1.00 51.33 H new ATOM 0 HA HIS A 49 5.346 5.740 -2.976 1.00 41.12 H new ATOM 0 HB2 HIS A 49 2.880 5.215 -1.311 1.00 42.43 H new ATOM 0 HB3 HIS A 49 4.512 5.319 -0.680 1.00 42.43 H new ATOM 0 HD2 HIS A 49 1.717 7.702 -2.046 1.00 1.41 H new ATOM 0 HE1 HIS A 49 4.731 10.015 -0.206 1.00 73.23 H new ATOM 0 HE2 HIS A 49 2.403 10.058 -1.209 1.00 11.31 H new ATOM 832 N CYS A 50 5.597 3.202 -2.243 1.00 73.13 N ATOM 833 CA CYS A 50 5.731 1.760 -2.270 1.00 50.14 C ATOM 834 C CYS A 50 6.210 1.194 -0.962 1.00 33.44 C ATOM 835 O CYS A 50 6.983 1.821 -0.251 1.00 50.42 O ATOM 836 CB CYS A 50 6.597 1.269 -3.454 1.00 43.11 C ATOM 837 SG CYS A 50 8.336 1.846 -3.469 1.00 44.53 S ATOM 0 H CYS A 50 6.354 3.715 -1.791 1.00 73.13 H new ATOM 0 HA CYS A 50 4.724 1.373 -2.428 1.00 50.14 H new ATOM 0 HB2 CYS A 50 6.596 0.179 -3.452 1.00 43.11 H new ATOM 0 HB3 CYS A 50 6.122 1.586 -4.382 1.00 43.11 H new ATOM 842 N LEU A 51 5.713 0.028 -0.637 1.00 63.21 N ATOM 843 CA LEU A 51 6.130 -0.696 0.532 1.00 22.01 C ATOM 844 C LEU A 51 6.803 -1.965 0.156 1.00 62.11 C ATOM 845 O LEU A 51 6.434 -2.630 -0.822 1.00 11.14 O ATOM 846 CB LEU A 51 4.994 -0.962 1.514 1.00 52.35 C ATOM 847 CG LEU A 51 4.489 0.243 2.272 1.00 60.34 C ATOM 848 CD1 LEU A 51 3.250 -0.118 3.062 1.00 22.45 C ATOM 849 CD2 LEU A 51 5.560 0.768 3.218 1.00 43.42 C ATOM 0 H LEU A 51 4.998 -0.450 -1.185 1.00 63.21 H new ATOM 0 HA LEU A 51 6.842 -0.053 1.050 1.00 22.01 H new ATOM 0 HB2 LEU A 51 4.160 -1.400 0.966 1.00 52.35 H new ATOM 0 HB3 LEU A 51 5.328 -1.708 2.235 1.00 52.35 H new ATOM 0 HG LEU A 51 4.243 1.021 1.550 1.00 60.34 H new ATOM 0 HD11 LEU A 51 2.896 0.759 3.604 1.00 22.45 H new ATOM 0 HD12 LEU A 51 2.472 -0.463 2.381 1.00 22.45 H new ATOM 0 HD13 LEU A 51 3.489 -0.911 3.771 1.00 22.45 H new ATOM 0 HD21 LEU A 51 5.177 1.636 3.755 1.00 43.42 H new ATOM 0 HD22 LEU A 51 5.829 -0.011 3.932 1.00 43.42 H new ATOM 0 HD23 LEU A 51 6.442 1.055 2.646 1.00 43.42 H new ATOM 861 N HIS A 52 7.791 -2.282 0.913 1.00 43.14 N ATOM 862 CA HIS A 52 8.578 -3.470 0.692 1.00 12.11 C ATOM 863 C HIS A 52 7.907 -4.632 1.456 1.00 13.42 C ATOM 864 O HIS A 52 7.844 -4.619 2.687 1.00 43.23 O ATOM 865 CB HIS A 52 10.025 -3.220 1.165 1.00 62.20 C ATOM 866 CG HIS A 52 11.018 -4.279 0.775 1.00 41.34 C ATOM 867 ND1 HIS A 52 11.726 -5.024 1.685 1.00 72.00 N ATOM 868 CD2 HIS A 52 11.452 -4.685 -0.448 1.00 71.14 C ATOM 869 CE1 HIS A 52 12.540 -5.842 1.043 1.00 12.42 C ATOM 870 NE2 HIS A 52 12.392 -5.655 -0.240 1.00 71.41 N ATOM 0 H HIS A 52 8.090 -1.727 1.715 1.00 43.14 H new ATOM 0 HA HIS A 52 8.625 -3.729 -0.366 1.00 12.11 H new ATOM 0 HB2 HIS A 52 10.361 -2.264 0.764 1.00 62.20 H new ATOM 0 HB3 HIS A 52 10.024 -3.127 2.251 1.00 62.20 H new ATOM 0 HD2 HIS A 52 11.117 -4.311 -1.404 1.00 71.14 H new ATOM 0 HE1 HIS A 52 13.216 -6.548 1.503 1.00 12.42 H new ATOM 0 HE2 HIS A 52 12.898 -6.154 -0.972 1.00 71.41 H new ATOM 879 N PRO A 53 7.398 -5.649 0.728 1.00 75.40 N ATOM 880 CA PRO A 53 6.587 -6.765 1.302 1.00 73.21 C ATOM 881 C PRO A 53 7.354 -7.696 2.225 1.00 52.15 C ATOM 882 O PRO A 53 6.782 -8.584 2.817 1.00 15.44 O ATOM 883 CB PRO A 53 6.133 -7.529 0.060 1.00 45.34 C ATOM 884 CG PRO A 53 7.194 -7.245 -0.933 1.00 23.12 C ATOM 885 CD PRO A 53 7.546 -5.807 -0.728 1.00 2.10 C ATOM 0 HA PRO A 53 5.787 -6.374 1.931 1.00 73.21 H new ATOM 0 HB2 PRO A 53 6.044 -8.597 0.257 1.00 45.34 H new ATOM 0 HB3 PRO A 53 5.158 -7.187 -0.287 1.00 45.34 H new ATOM 0 HG2 PRO A 53 8.060 -7.888 -0.779 1.00 23.12 H new ATOM 0 HG3 PRO A 53 6.841 -7.423 -1.949 1.00 23.12 H new ATOM 0 HD2 PRO A 53 8.561 -5.586 -1.059 1.00 2.10 H new ATOM 0 HD3 PRO A 53 6.879 -5.143 -1.278 1.00 2.10 H new ATOM 893 N LYS A 54 8.635 -7.485 2.351 1.00 1.43 N ATOM 894 CA LYS A 54 9.445 -8.330 3.187 1.00 34.44 C ATOM 895 C LYS A 54 9.269 -7.972 4.665 1.00 21.30 C ATOM 896 O LYS A 54 9.652 -8.737 5.556 1.00 34.52 O ATOM 897 CB LYS A 54 10.885 -8.247 2.755 1.00 74.14 C ATOM 898 CG LYS A 54 11.069 -8.729 1.333 1.00 60.03 C ATOM 899 CD LYS A 54 10.798 -10.202 1.205 1.00 73.04 C ATOM 900 CE LYS A 54 10.683 -10.606 -0.245 1.00 20.22 C ATOM 901 NZ LYS A 54 10.400 -12.049 -0.395 1.00 12.12 N ATOM 0 H LYS A 54 9.143 -6.733 1.884 1.00 1.43 H new ATOM 0 HA LYS A 54 9.117 -9.363 3.072 1.00 34.44 H new ATOM 0 HB2 LYS A 54 11.232 -7.217 2.838 1.00 74.14 H new ATOM 0 HB3 LYS A 54 11.502 -8.846 3.425 1.00 74.14 H new ATOM 0 HG2 LYS A 54 10.400 -8.177 0.672 1.00 60.03 H new ATOM 0 HG3 LYS A 54 12.087 -8.517 1.006 1.00 60.03 H new ATOM 0 HD2 LYS A 54 11.600 -10.766 1.681 1.00 73.04 H new ATOM 0 HD3 LYS A 54 9.877 -10.453 1.731 1.00 73.04 H new ATOM 0 HE2 LYS A 54 9.890 -10.029 -0.721 1.00 20.22 H new ATOM 0 HE3 LYS A 54 11.610 -10.362 -0.764 1.00 20.22 H new ATOM 0 HZ1 LYS A 54 10.329 -12.286 -1.405 1.00 12.12 H new ATOM 0 HZ2 LYS A 54 11.169 -12.600 0.036 1.00 12.12 H new ATOM 0 HZ3 LYS A 54 9.503 -12.278 0.078 1.00 12.12 H new ATOM 915 N LEU A 55 8.672 -6.807 4.905 1.00 11.12 N ATOM 916 CA LEU A 55 8.401 -6.321 6.245 1.00 3.30 C ATOM 917 C LEU A 55 7.057 -6.856 6.733 1.00 12.20 C ATOM 918 O LEU A 55 6.099 -6.938 5.958 1.00 14.22 O ATOM 919 CB LEU A 55 8.352 -4.788 6.249 1.00 43.44 C ATOM 920 CG LEU A 55 9.616 -4.052 5.804 1.00 24.44 C ATOM 921 CD1 LEU A 55 9.375 -2.556 5.808 1.00 52.43 C ATOM 922 CD2 LEU A 55 10.789 -4.397 6.710 1.00 61.30 C ATOM 0 H LEU A 55 8.363 -6.174 4.167 1.00 11.12 H new ATOM 0 HA LEU A 55 9.197 -6.666 6.905 1.00 3.30 H new ATOM 0 HB2 LEU A 55 7.532 -4.474 5.603 1.00 43.44 H new ATOM 0 HB3 LEU A 55 8.107 -4.460 7.259 1.00 43.44 H new ATOM 0 HG LEU A 55 9.861 -4.370 4.791 1.00 24.44 H new ATOM 0 HD11 LEU A 55 10.281 -2.041 5.490 1.00 52.43 H new ATOM 0 HD12 LEU A 55 8.562 -2.317 5.123 1.00 52.43 H new ATOM 0 HD13 LEU A 55 9.109 -2.233 6.814 1.00 52.43 H new ATOM 0 HD21 LEU A 55 11.677 -3.862 6.375 1.00 61.30 H new ATOM 0 HD22 LEU A 55 10.555 -4.106 7.734 1.00 61.30 H new ATOM 0 HD23 LEU A 55 10.975 -5.470 6.671 1.00 61.30 H new ATOM 934 N GLN A 56 6.982 -7.193 8.011 1.00 35.23 N ATOM 935 CA GLN A 56 5.747 -7.708 8.611 1.00 42.21 C ATOM 936 C GLN A 56 4.688 -6.609 8.690 1.00 40.44 C ATOM 937 O GLN A 56 3.482 -6.883 8.665 1.00 71.15 O ATOM 938 CB GLN A 56 6.004 -8.298 10.003 1.00 64.00 C ATOM 939 CG GLN A 56 6.528 -7.296 11.018 1.00 64.51 C ATOM 940 CD GLN A 56 6.728 -7.895 12.384 1.00 73.25 C ATOM 941 OE1 GLN A 56 6.029 -8.817 12.776 1.00 62.53 O ATOM 942 NE2 GLN A 56 7.674 -7.378 13.119 1.00 51.40 N ATOM 0 H GLN A 56 7.764 -7.121 8.662 1.00 35.23 H new ATOM 0 HA GLN A 56 5.377 -8.508 7.969 1.00 42.21 H new ATOM 0 HB2 GLN A 56 5.076 -8.728 10.380 1.00 64.00 H new ATOM 0 HB3 GLN A 56 6.720 -9.115 9.912 1.00 64.00 H new ATOM 0 HG2 GLN A 56 7.475 -6.889 10.663 1.00 64.51 H new ATOM 0 HG3 GLN A 56 5.830 -6.462 11.091 1.00 64.51 H new ATOM 0 HE21 GLN A 56 8.238 -6.608 12.758 1.00 51.40 H new ATOM 0 HE22 GLN A 56 7.850 -7.743 14.055 1.00 51.40 H new ATOM 951 N SER A 57 5.152 -5.365 8.788 1.00 53.02 N ATOM 952 CA SER A 57 4.282 -4.206 8.831 1.00 44.25 C ATOM 953 C SER A 57 3.434 -4.126 7.562 1.00 34.41 C ATOM 954 O SER A 57 2.261 -3.732 7.596 1.00 71.05 O ATOM 955 CB SER A 57 5.126 -2.938 8.985 1.00 4.33 C ATOM 956 OG SER A 57 5.928 -3.002 10.160 1.00 35.10 O ATOM 0 H SER A 57 6.145 -5.139 8.840 1.00 53.02 H new ATOM 0 HA SER A 57 3.611 -4.297 9.685 1.00 44.25 H new ATOM 0 HB2 SER A 57 5.764 -2.813 8.110 1.00 4.33 H new ATOM 0 HB3 SER A 57 4.474 -2.066 9.032 1.00 4.33 H new ATOM 0 HG SER A 57 6.460 -2.183 10.238 1.00 35.10 H new ATOM 962 N THR A 58 4.023 -4.543 6.458 1.00 52.11 N ATOM 963 CA THR A 58 3.368 -4.531 5.191 1.00 52.42 C ATOM 964 C THR A 58 2.187 -5.516 5.196 1.00 71.23 C ATOM 965 O THR A 58 1.145 -5.249 4.599 1.00 71.53 O ATOM 966 CB THR A 58 4.374 -4.885 4.085 1.00 41.14 C ATOM 967 OG1 THR A 58 5.544 -4.050 4.243 1.00 11.14 O ATOM 968 CG2 THR A 58 3.773 -4.627 2.720 1.00 14.00 C ATOM 0 H THR A 58 4.978 -4.900 6.429 1.00 52.11 H new ATOM 0 HA THR A 58 2.975 -3.533 4.996 1.00 52.42 H new ATOM 0 HB THR A 58 4.636 -5.940 4.163 1.00 41.14 H new ATOM 0 HG1 THR A 58 6.254 -4.366 3.646 1.00 11.14 H new ATOM 0 HG21 THR A 58 4.499 -4.883 1.948 1.00 14.00 H new ATOM 0 HG22 THR A 58 2.879 -5.238 2.594 1.00 14.00 H new ATOM 0 HG23 THR A 58 3.507 -3.574 2.633 1.00 14.00 H new ATOM 976 N LYS A 59 2.338 -6.634 5.908 1.00 15.23 N ATOM 977 CA LYS A 59 1.264 -7.585 6.010 1.00 45.25 C ATOM 978 C LYS A 59 0.068 -7.010 6.717 1.00 31.44 C ATOM 979 O LYS A 59 -1.035 -7.150 6.236 1.00 65.24 O ATOM 980 CB LYS A 59 1.671 -8.946 6.575 1.00 4.34 C ATOM 981 CG LYS A 59 2.483 -9.793 5.607 1.00 0.21 C ATOM 982 CD LYS A 59 3.882 -9.264 5.371 1.00 64.23 C ATOM 983 CE LYS A 59 4.613 -10.081 4.316 1.00 70.31 C ATOM 984 NZ LYS A 59 4.714 -11.518 4.662 1.00 52.42 N ATOM 0 H LYS A 59 3.188 -6.889 6.412 1.00 15.23 H new ATOM 0 HA LYS A 59 0.972 -7.791 4.980 1.00 45.25 H new ATOM 0 HB2 LYS A 59 2.252 -8.793 7.485 1.00 4.34 H new ATOM 0 HB3 LYS A 59 0.773 -9.495 6.859 1.00 4.34 H new ATOM 0 HG2 LYS A 59 2.548 -10.810 5.993 1.00 0.21 H new ATOM 0 HG3 LYS A 59 1.957 -9.846 4.654 1.00 0.21 H new ATOM 0 HD2 LYS A 59 3.830 -8.222 5.055 1.00 64.23 H new ATOM 0 HD3 LYS A 59 4.444 -9.287 6.305 1.00 64.23 H new ATOM 0 HE2 LYS A 59 4.095 -9.978 3.362 1.00 70.31 H new ATOM 0 HE3 LYS A 59 5.615 -9.675 4.180 1.00 70.31 H new ATOM 0 HZ1 LYS A 59 5.335 -11.997 3.979 1.00 52.42 H new ATOM 0 HZ2 LYS A 59 5.110 -11.618 5.619 1.00 52.42 H new ATOM 0 HZ3 LYS A 59 3.768 -11.950 4.632 1.00 52.42 H new ATOM 998 N ARG A 60 0.270 -6.318 7.833 1.00 12.10 N ATOM 999 CA ARG A 60 -0.858 -5.699 8.471 1.00 33.23 C ATOM 1000 C ARG A 60 -1.489 -4.686 7.584 1.00 33.25 C ATOM 1001 O ARG A 60 -2.677 -4.634 7.491 1.00 75.15 O ATOM 1002 CB ARG A 60 -0.564 -5.073 9.826 1.00 23.32 C ATOM 1003 CG ARG A 60 -0.517 -6.033 10.993 1.00 2.01 C ATOM 1004 CD ARG A 60 0.743 -6.886 10.997 1.00 63.32 C ATOM 1005 NE ARG A 60 0.753 -7.833 12.116 1.00 0.02 N ATOM 1006 CZ ARG A 60 1.853 -8.285 12.746 1.00 24.23 C ATOM 1007 NH1 ARG A 60 3.060 -7.826 12.419 1.00 71.32 N ATOM 1008 NH2 ARG A 60 1.739 -9.166 13.719 1.00 40.21 N ATOM 0 H ARG A 60 1.171 -6.181 8.291 1.00 12.10 H new ATOM 0 HA ARG A 60 -1.548 -6.522 8.658 1.00 33.23 H new ATOM 0 HB2 ARG A 60 0.393 -4.554 9.767 1.00 23.32 H new ATOM 0 HB3 ARG A 60 -1.324 -4.318 10.030 1.00 23.32 H new ATOM 0 HG2 ARG A 60 -0.573 -5.470 11.925 1.00 2.01 H new ATOM 0 HG3 ARG A 60 -1.391 -6.683 10.960 1.00 2.01 H new ATOM 0 HD2 ARG A 60 0.815 -7.433 10.057 1.00 63.32 H new ATOM 0 HD3 ARG A 60 1.619 -6.241 11.059 1.00 63.32 H new ATOM 0 HE ARG A 60 -0.149 -8.178 12.444 1.00 0.02 H new ATOM 0 HH11 ARG A 60 3.157 -7.125 11.685 1.00 71.32 H new ATOM 0 HH12 ARG A 60 3.887 -8.176 12.903 1.00 71.32 H new ATOM 0 HH21 ARG A 60 0.817 -9.505 13.994 1.00 40.21 H new ATOM 0 HH22 ARG A 60 2.572 -9.509 14.197 1.00 40.21 H new ATOM 1022 N PHE A 61 -0.684 -3.921 6.892 1.00 13.52 N ATOM 1023 CA PHE A 61 -1.196 -2.868 6.051 1.00 23.12 C ATOM 1024 C PHE A 61 -2.089 -3.437 4.952 1.00 62.51 C ATOM 1025 O PHE A 61 -3.145 -2.886 4.668 1.00 53.15 O ATOM 1026 CB PHE A 61 -0.053 -2.070 5.457 1.00 20.42 C ATOM 1027 CG PHE A 61 -0.452 -0.719 4.910 1.00 44.42 C ATOM 1028 CD1 PHE A 61 -1.041 0.217 5.748 1.00 14.03 C ATOM 1029 CD2 PHE A 61 -0.220 -0.370 3.590 1.00 22.23 C ATOM 1030 CE1 PHE A 61 -1.388 1.461 5.293 1.00 65.31 C ATOM 1031 CE2 PHE A 61 -0.556 0.897 3.124 1.00 44.44 C ATOM 1032 CZ PHE A 61 -1.141 1.814 3.981 1.00 25.32 C ATOM 0 H PHE A 61 0.332 -4.008 6.894 1.00 13.52 H new ATOM 0 HA PHE A 61 -1.803 -2.201 6.663 1.00 23.12 H new ATOM 0 HB2 PHE A 61 0.710 -1.928 6.222 1.00 20.42 H new ATOM 0 HB3 PHE A 61 0.403 -2.652 4.656 1.00 20.42 H new ATOM 0 HD1 PHE A 61 -1.230 -0.041 6.780 1.00 14.03 H new ATOM 0 HD2 PHE A 61 0.225 -1.087 2.917 1.00 22.23 H new ATOM 0 HE1 PHE A 61 -1.856 2.168 5.962 1.00 65.31 H new ATOM 0 HE2 PHE A 61 -0.361 1.165 2.096 1.00 44.44 H new ATOM 0 HZ PHE A 61 -1.403 2.800 3.625 1.00 25.32 H new ATOM 1042 N ILE A 62 -1.685 -4.561 4.360 1.00 32.44 N ATOM 1043 CA ILE A 62 -2.479 -5.164 3.305 1.00 14.41 C ATOM 1044 C ILE A 62 -3.721 -5.816 3.871 1.00 52.40 C ATOM 1045 O ILE A 62 -4.841 -5.547 3.433 1.00 14.43 O ATOM 1046 CB ILE A 62 -1.675 -6.219 2.505 1.00 35.44 C ATOM 1047 CG1 ILE A 62 -0.425 -5.589 1.896 1.00 73.31 C ATOM 1048 CG2 ILE A 62 -2.544 -6.857 1.424 1.00 1.13 C ATOM 1049 CD1 ILE A 62 -0.718 -4.396 1.030 1.00 13.11 C ATOM 0 H ILE A 62 -0.827 -5.061 4.592 1.00 32.44 H new ATOM 0 HA ILE A 62 -2.762 -4.358 2.629 1.00 14.41 H new ATOM 0 HB ILE A 62 -1.362 -7.005 3.192 1.00 35.44 H new ATOM 0 HG12 ILE A 62 0.249 -5.289 2.698 1.00 73.31 H new ATOM 0 HG13 ILE A 62 0.099 -6.339 1.303 1.00 73.31 H new ATOM 0 HG21 ILE A 62 -1.959 -7.595 0.875 1.00 1.13 H new ATOM 0 HG22 ILE A 62 -3.401 -7.346 1.888 1.00 1.13 H new ATOM 0 HG23 ILE A 62 -2.894 -6.087 0.737 1.00 1.13 H new ATOM 0 HD11 ILE A 62 0.215 -3.999 0.630 1.00 13.11 H new ATOM 0 HD12 ILE A 62 -1.367 -4.694 0.207 1.00 13.11 H new ATOM 0 HD13 ILE A 62 -1.214 -3.628 1.624 1.00 13.11 H new ATOM 1061 N LYS A 63 -3.521 -6.623 4.875 1.00 22.14 N ATOM 1062 CA LYS A 63 -4.594 -7.426 5.463 1.00 4.41 C ATOM 1063 C LYS A 63 -5.630 -6.563 6.146 1.00 0.24 C ATOM 1064 O LYS A 63 -6.819 -6.896 6.192 1.00 12.35 O ATOM 1065 CB LYS A 63 -4.037 -8.511 6.418 1.00 52.34 C ATOM 1066 CG LYS A 63 -3.354 -9.722 5.727 1.00 23.31 C ATOM 1067 CD LYS A 63 -2.275 -9.285 4.766 1.00 22.14 C ATOM 1068 CE LYS A 63 -1.538 -10.413 4.132 1.00 53.11 C ATOM 1069 NZ LYS A 63 -2.422 -11.315 3.361 1.00 11.32 N ATOM 0 H LYS A 63 -2.613 -6.754 5.321 1.00 22.14 H new ATOM 0 HA LYS A 63 -5.095 -7.941 4.643 1.00 4.41 H new ATOM 0 HB2 LYS A 63 -3.316 -8.044 7.090 1.00 52.34 H new ATOM 0 HB3 LYS A 63 -4.855 -8.881 7.036 1.00 52.34 H new ATOM 0 HG2 LYS A 63 -2.923 -10.377 6.484 1.00 23.31 H new ATOM 0 HG3 LYS A 63 -4.103 -10.305 5.191 1.00 23.31 H new ATOM 0 HD2 LYS A 63 -2.725 -8.673 3.984 1.00 22.14 H new ATOM 0 HD3 LYS A 63 -1.564 -8.652 5.297 1.00 22.14 H new ATOM 0 HE2 LYS A 63 -0.769 -10.013 3.471 1.00 53.11 H new ATOM 0 HE3 LYS A 63 -1.026 -10.987 4.905 1.00 53.11 H new ATOM 0 HZ1 LYS A 63 -1.845 -12.010 2.846 1.00 11.32 H new ATOM 0 HZ2 LYS A 63 -3.064 -11.812 4.012 1.00 11.32 H new ATOM 0 HZ3 LYS A 63 -2.980 -10.758 2.683 1.00 11.32 H new ATOM 1083 N TRP A 64 -5.188 -5.448 6.654 1.00 20.32 N ATOM 1084 CA TRP A 64 -6.062 -4.532 7.328 1.00 61.10 C ATOM 1085 C TRP A 64 -6.813 -3.737 6.259 1.00 54.40 C ATOM 1086 O TRP A 64 -8.012 -3.489 6.388 1.00 51.22 O ATOM 1087 CB TRP A 64 -5.232 -3.595 8.196 1.00 51.22 C ATOM 1088 CG TRP A 64 -5.892 -3.077 9.424 1.00 31.45 C ATOM 1089 CD1 TRP A 64 -5.650 -3.511 10.701 1.00 12.11 C ATOM 1090 CD2 TRP A 64 -6.878 -2.039 9.526 1.00 54.12 C ATOM 1091 NE1 TRP A 64 -6.430 -2.805 11.583 1.00 14.25 N ATOM 1092 CE2 TRP A 64 -7.194 -1.900 10.889 1.00 51.25 C ATOM 1093 CE3 TRP A 64 -7.528 -1.216 8.599 1.00 40.34 C ATOM 1094 CZ2 TRP A 64 -8.126 -0.973 11.346 1.00 64.15 C ATOM 1095 CZ3 TRP A 64 -8.452 -0.298 9.055 1.00 54.52 C ATOM 1096 CH2 TRP A 64 -8.742 -0.183 10.415 1.00 34.25 C ATOM 0 H TRP A 64 -4.214 -5.149 6.613 1.00 20.32 H new ATOM 0 HA TRP A 64 -6.769 -5.061 7.967 1.00 61.10 H new ATOM 0 HB2 TRP A 64 -4.322 -4.118 8.491 1.00 51.22 H new ATOM 0 HB3 TRP A 64 -4.927 -2.744 7.587 1.00 51.22 H new ATOM 0 HD1 TRP A 64 -4.952 -4.289 10.972 1.00 12.11 H new ATOM 0 HE1 TRP A 64 -6.440 -2.933 12.595 1.00 14.25 H new ATOM 0 HE3 TRP A 64 -7.310 -1.298 7.544 1.00 40.34 H new ATOM 0 HZ2 TRP A 64 -8.354 -0.881 12.398 1.00 64.15 H new ATOM 0 HZ3 TRP A 64 -8.959 0.342 8.348 1.00 54.52 H new ATOM 0 HH2 TRP A 64 -9.469 0.546 10.740 1.00 34.25 H new ATOM 1107 N TYR A 65 -6.098 -3.373 5.160 1.00 13.32 N ATOM 1108 CA TYR A 65 -6.702 -2.625 4.068 1.00 51.13 C ATOM 1109 C TYR A 65 -7.809 -3.445 3.420 1.00 72.04 C ATOM 1110 O TYR A 65 -8.807 -2.909 2.995 1.00 24.21 O ATOM 1111 CB TYR A 65 -5.652 -2.184 3.022 1.00 52.13 C ATOM 1112 CG TYR A 65 -6.209 -1.339 1.882 1.00 14.34 C ATOM 1113 CD1 TYR A 65 -6.747 -1.922 0.735 1.00 70.04 C ATOM 1114 CD2 TYR A 65 -6.202 0.045 1.960 1.00 41.23 C ATOM 1115 CE1 TYR A 65 -7.254 -1.148 -0.289 1.00 0.31 C ATOM 1116 CE2 TYR A 65 -6.711 0.818 0.939 1.00 14.24 C ATOM 1117 CZ TYR A 65 -7.231 0.220 -0.177 1.00 70.42 C ATOM 1118 OH TYR A 65 -7.742 1.000 -1.178 1.00 44.53 O ATOM 0 H TYR A 65 -5.111 -3.592 5.025 1.00 13.32 H new ATOM 0 HA TYR A 65 -7.137 -1.716 4.484 1.00 51.13 H new ATOM 0 HB2 TYR A 65 -4.870 -1.618 3.528 1.00 52.13 H new ATOM 0 HB3 TYR A 65 -5.181 -3.073 2.602 1.00 52.13 H new ATOM 0 HD1 TYR A 65 -6.767 -2.998 0.647 1.00 70.04 H new ATOM 0 HD2 TYR A 65 -5.791 0.525 2.835 1.00 41.23 H new ATOM 0 HE1 TYR A 65 -7.666 -1.615 -1.172 1.00 0.31 H new ATOM 0 HE2 TYR A 65 -6.700 1.895 1.019 1.00 14.24 H new ATOM 0 HH TYR A 65 -7.647 1.945 -0.937 1.00 44.53 H new ATOM 1128 N ASN A 66 -7.606 -4.753 3.346 1.00 33.24 N ATOM 1129 CA ASN A 66 -8.615 -5.675 2.783 1.00 52.11 C ATOM 1130 C ASN A 66 -9.944 -5.578 3.524 1.00 14.45 C ATOM 1131 O ASN A 66 -11.005 -5.534 2.902 1.00 75.12 O ATOM 1132 CB ASN A 66 -8.107 -7.133 2.761 1.00 32.33 C ATOM 1133 CG ASN A 66 -7.075 -7.439 1.668 1.00 70.24 C ATOM 1134 OD1 ASN A 66 -6.340 -6.450 1.218 1.00 73.34 O flip ATOM 1135 ND2 ASN A 66 -6.956 -8.578 1.219 1.00 33.20 N flip ATOM 0 H ASN A 66 -6.753 -5.212 3.666 1.00 33.24 H new ATOM 0 HA ASN A 66 -8.784 -5.364 1.752 1.00 52.11 H new ATOM 0 HB2 ASN A 66 -7.667 -7.364 3.731 1.00 32.33 H new ATOM 0 HB3 ASN A 66 -8.961 -7.798 2.631 1.00 32.33 H new ATOM 0 HD21 ASN A 66 -7.537 -9.333 1.583 1.00 33.20 H new ATOM 0 HD22 ASN A 66 -6.276 -8.768 0.483 1.00 33.20 H new ATOM 1142 N ALA A 67 -9.886 -5.522 4.844 1.00 21.10 N ATOM 1143 CA ALA A 67 -11.098 -5.391 5.650 1.00 12.43 C ATOM 1144 C ALA A 67 -11.644 -3.973 5.526 1.00 61.43 C ATOM 1145 O ALA A 67 -12.839 -3.756 5.381 1.00 1.24 O ATOM 1146 CB ALA A 67 -10.811 -5.736 7.103 1.00 75.14 C ATOM 0 H ALA A 67 -9.020 -5.565 5.382 1.00 21.10 H new ATOM 0 HA ALA A 67 -11.850 -6.090 5.283 1.00 12.43 H new ATOM 0 HB1 ALA A 67 -11.725 -5.633 7.689 1.00 75.14 H new ATOM 0 HB2 ALA A 67 -10.451 -6.763 7.169 1.00 75.14 H new ATOM 0 HB3 ALA A 67 -10.051 -5.060 7.494 1.00 75.14 H new ATOM 1152 N TRP A 68 -10.737 -3.027 5.557 1.00 13.44 N ATOM 1153 CA TRP A 68 -11.024 -1.602 5.404 1.00 33.42 C ATOM 1154 C TRP A 68 -11.748 -1.314 4.074 1.00 23.43 C ATOM 1155 O TRP A 68 -12.695 -0.527 4.027 1.00 23.24 O ATOM 1156 CB TRP A 68 -9.687 -0.861 5.501 1.00 54.12 C ATOM 1157 CG TRP A 68 -9.697 0.582 5.162 1.00 52.53 C ATOM 1158 CD1 TRP A 68 -9.074 1.157 4.101 1.00 73.41 C ATOM 1159 CD2 TRP A 68 -10.350 1.634 5.863 1.00 52.43 C ATOM 1160 NE1 TRP A 68 -9.282 2.502 4.108 1.00 72.54 N ATOM 1161 CE2 TRP A 68 -10.069 2.824 5.169 1.00 73.01 C ATOM 1162 CE3 TRP A 68 -11.143 1.695 7.005 1.00 34.31 C ATOM 1163 CZ2 TRP A 68 -10.547 4.049 5.573 1.00 41.35 C ATOM 1164 CZ3 TRP A 68 -11.621 2.919 7.403 1.00 70.44 C ATOM 1165 CH2 TRP A 68 -11.318 4.083 6.683 1.00 3.03 C ATOM 0 H TRP A 68 -9.745 -3.223 5.693 1.00 13.44 H new ATOM 0 HA TRP A 68 -11.700 -1.259 6.187 1.00 33.42 H new ATOM 0 HB2 TRP A 68 -9.312 -0.968 6.519 1.00 54.12 H new ATOM 0 HB3 TRP A 68 -8.974 -1.359 4.844 1.00 54.12 H new ATOM 0 HD1 TRP A 68 -8.497 0.624 3.359 1.00 73.41 H new ATOM 0 HE1 TRP A 68 -8.908 3.162 3.427 1.00 72.54 H new ATOM 0 HE3 TRP A 68 -11.377 0.801 7.565 1.00 34.31 H new ATOM 0 HZ2 TRP A 68 -10.315 4.950 5.024 1.00 41.35 H new ATOM 0 HZ3 TRP A 68 -12.241 2.986 8.285 1.00 70.44 H new ATOM 0 HH2 TRP A 68 -11.710 5.030 7.023 1.00 3.03 H new ATOM 1176 N ASN A 69 -11.303 -1.978 3.022 1.00 14.52 N ATOM 1177 CA ASN A 69 -11.889 -1.876 1.681 1.00 73.13 C ATOM 1178 C ASN A 69 -13.365 -2.220 1.706 1.00 44.12 C ATOM 1179 O ASN A 69 -14.171 -1.629 0.981 1.00 70.01 O ATOM 1180 CB ASN A 69 -11.151 -2.823 0.714 1.00 24.23 C ATOM 1181 CG ASN A 69 -11.731 -2.826 -0.693 1.00 70.11 C ATOM 1182 OD1 ASN A 69 -11.337 -2.012 -1.539 1.00 44.14 O ATOM 1183 ND2 ASN A 69 -12.636 -3.746 -0.967 1.00 13.13 N ATOM 0 H ASN A 69 -10.510 -2.617 3.068 1.00 14.52 H new ATOM 0 HA ASN A 69 -11.781 -0.847 1.338 1.00 73.13 H new ATOM 0 HB2 ASN A 69 -10.101 -2.534 0.665 1.00 24.23 H new ATOM 0 HB3 ASN A 69 -11.184 -3.836 1.114 1.00 24.23 H new ATOM 0 HD21 ASN A 69 -13.037 -3.804 -1.903 1.00 13.13 H new ATOM 0 HD22 ASN A 69 -12.935 -4.399 -0.243 1.00 13.13 H new ATOM 1190 N GLU A 70 -13.709 -3.160 2.553 1.00 62.24 N ATOM 1191 CA GLU A 70 -15.070 -3.606 2.698 1.00 71.14 C ATOM 1192 C GLU A 70 -15.936 -2.523 3.337 1.00 12.22 C ATOM 1193 O GLU A 70 -17.045 -2.282 2.895 1.00 24.44 O ATOM 1194 CB GLU A 70 -15.116 -4.891 3.510 1.00 31.04 C ATOM 1195 CG GLU A 70 -14.315 -6.031 2.897 1.00 70.42 C ATOM 1196 CD GLU A 70 -14.819 -6.406 1.526 1.00 21.14 C ATOM 1197 OE1 GLU A 70 -15.771 -7.216 1.442 1.00 61.42 O ATOM 1198 OE2 GLU A 70 -14.291 -5.873 0.514 1.00 2.12 O ATOM 0 H GLU A 70 -13.047 -3.639 3.164 1.00 62.24 H new ATOM 0 HA GLU A 70 -15.475 -3.809 1.707 1.00 71.14 H new ATOM 0 HB2 GLU A 70 -14.738 -4.691 4.512 1.00 31.04 H new ATOM 0 HB3 GLU A 70 -16.154 -5.205 3.618 1.00 31.04 H new ATOM 0 HG2 GLU A 70 -13.266 -5.742 2.830 1.00 70.42 H new ATOM 0 HG3 GLU A 70 -14.365 -6.901 3.551 1.00 70.42 H new ATOM 1205 N LYS A 71 -15.398 -1.844 4.351 1.00 35.04 N ATOM 1206 CA LYS A 71 -16.131 -0.762 5.061 1.00 35.33 C ATOM 1207 C LYS A 71 -16.381 0.453 4.183 1.00 2.21 C ATOM 1208 O LYS A 71 -17.297 1.244 4.421 1.00 32.22 O ATOM 1209 CB LYS A 71 -15.443 -0.335 6.371 1.00 22.02 C ATOM 1210 CG LYS A 71 -15.646 -1.276 7.547 1.00 73.32 C ATOM 1211 CD LYS A 71 -14.974 -2.616 7.367 1.00 45.34 C ATOM 1212 CE LYS A 71 -15.251 -3.542 8.540 1.00 74.55 C ATOM 1213 NZ LYS A 71 -14.806 -2.979 9.839 1.00 4.22 N ATOM 0 H LYS A 71 -14.458 -2.014 4.709 1.00 35.04 H new ATOM 0 HA LYS A 71 -17.097 -1.197 5.316 1.00 35.33 H new ATOM 0 HB2 LYS A 71 -14.373 -0.237 6.185 1.00 22.02 H new ATOM 0 HB3 LYS A 71 -15.810 0.653 6.650 1.00 22.02 H new ATOM 0 HG2 LYS A 71 -15.261 -0.804 8.451 1.00 73.32 H new ATOM 0 HG3 LYS A 71 -16.714 -1.431 7.698 1.00 73.32 H new ATOM 0 HD2 LYS A 71 -15.326 -3.080 6.445 1.00 45.34 H new ATOM 0 HD3 LYS A 71 -13.899 -2.473 7.261 1.00 45.34 H new ATOM 0 HE2 LYS A 71 -16.320 -3.750 8.587 1.00 74.55 H new ATOM 0 HE3 LYS A 71 -14.748 -4.494 8.371 1.00 74.55 H new ATOM 0 HZ1 LYS A 71 -14.782 -3.734 10.554 1.00 4.22 H new ATOM 0 HZ2 LYS A 71 -13.855 -2.572 9.733 1.00 4.22 H new ATOM 0 HZ3 LYS A 71 -15.469 -2.237 10.141 1.00 4.22 H new ATOM 1227 N ARG A 72 -15.562 0.598 3.193 1.00 43.23 N ATOM 1228 CA ARG A 72 -15.653 1.709 2.246 1.00 33.53 C ATOM 1229 C ARG A 72 -16.688 1.417 1.155 1.00 40.11 C ATOM 1230 O ARG A 72 -16.906 2.223 0.248 1.00 23.42 O ATOM 1231 CB ARG A 72 -14.277 1.974 1.659 1.00 22.41 C ATOM 1232 CG ARG A 72 -13.274 2.306 2.739 1.00 12.43 C ATOM 1233 CD ARG A 72 -11.860 2.361 2.233 1.00 10.15 C ATOM 1234 NE ARG A 72 -11.585 3.462 1.320 1.00 32.11 N ATOM 1235 CZ ARG A 72 -10.362 3.736 0.855 1.00 41.11 C ATOM 1236 NH1 ARG A 72 -9.371 2.881 1.057 1.00 44.04 N ATOM 1237 NH2 ARG A 72 -10.136 4.837 0.166 1.00 71.23 N ATOM 0 H ARG A 72 -14.796 -0.047 3.000 1.00 43.23 H new ATOM 0 HA ARG A 72 -15.991 2.605 2.767 1.00 33.53 H new ATOM 0 HB2 ARG A 72 -13.941 1.098 1.105 1.00 22.41 H new ATOM 0 HB3 ARG A 72 -14.335 2.798 0.948 1.00 22.41 H new ATOM 0 HG2 ARG A 72 -13.532 3.267 3.183 1.00 12.43 H new ATOM 0 HG3 ARG A 72 -13.341 1.560 3.531 1.00 12.43 H new ATOM 0 HD2 ARG A 72 -11.186 2.437 3.086 1.00 10.15 H new ATOM 0 HD3 ARG A 72 -11.632 1.422 1.728 1.00 10.15 H new ATOM 0 HE ARG A 72 -12.362 4.052 1.021 1.00 32.11 H new ATOM 0 HH11 ARG A 72 -9.541 2.014 1.567 1.00 44.04 H new ATOM 0 HH12 ARG A 72 -8.438 3.089 0.703 1.00 44.04 H new ATOM 0 HH21 ARG A 72 -10.898 5.490 -0.017 1.00 71.23 H new ATOM 0 HH22 ARG A 72 -9.199 5.036 -0.184 1.00 71.23 H new ATOM 1251 N ARG A 73 -17.319 0.272 1.261 1.00 33.23 N ATOM 1252 CA ARG A 73 -18.369 -0.124 0.354 1.00 23.22 C ATOM 1253 C ARG A 73 -19.602 -0.425 1.185 1.00 11.10 C ATOM 1254 O ARG A 73 -20.679 0.141 0.978 1.00 40.43 O ATOM 1255 CB ARG A 73 -17.945 -1.371 -0.396 1.00 12.30 C ATOM 1256 CG ARG A 73 -18.906 -1.825 -1.478 1.00 40.53 C ATOM 1257 CD ARG A 73 -18.450 -3.144 -2.064 1.00 62.04 C ATOM 1258 NE ARG A 73 -18.549 -4.229 -1.077 1.00 54.34 N ATOM 1259 CZ ARG A 73 -17.518 -4.915 -0.558 1.00 12.21 C ATOM 1260 NH1 ARG A 73 -16.259 -4.587 -0.853 1.00 54.42 N ATOM 1261 NH2 ARG A 73 -17.754 -5.918 0.271 1.00 31.11 N ATOM 0 H ARG A 73 -17.116 -0.417 1.986 1.00 33.23 H new ATOM 0 HA ARG A 73 -18.575 0.667 -0.368 1.00 23.22 H new ATOM 0 HB2 ARG A 73 -16.970 -1.191 -0.849 1.00 12.30 H new ATOM 0 HB3 ARG A 73 -17.818 -2.183 0.321 1.00 12.30 H new ATOM 0 HG2 ARG A 73 -19.908 -1.931 -1.063 1.00 40.53 H new ATOM 0 HG3 ARG A 73 -18.964 -1.071 -2.263 1.00 40.53 H new ATOM 0 HD2 ARG A 73 -19.057 -3.386 -2.936 1.00 62.04 H new ATOM 0 HD3 ARG A 73 -17.419 -3.055 -2.408 1.00 62.04 H new ATOM 0 HE ARG A 73 -19.484 -4.483 -0.758 1.00 54.34 H new ATOM 0 HH11 ARG A 73 -16.069 -3.806 -1.481 1.00 54.42 H new ATOM 0 HH12 ARG A 73 -15.486 -5.118 -0.451 1.00 54.42 H new ATOM 0 HH21 ARG A 73 -18.714 -6.166 0.512 1.00 31.11 H new ATOM 0 HH22 ARG A 73 -16.976 -6.444 0.669 1.00 31.11 H new ATOM 1275 N VAL A 74 -19.422 -1.311 2.137 1.00 61.34 N ATOM 1276 CA VAL A 74 -20.442 -1.661 3.069 1.00 34.44 C ATOM 1277 C VAL A 74 -20.211 -0.809 4.284 1.00 63.24 C ATOM 1278 O VAL A 74 -19.256 -1.021 5.041 1.00 62.44 O ATOM 1279 CB VAL A 74 -20.356 -3.135 3.497 1.00 31.10 C ATOM 1280 CG1 VAL A 74 -21.533 -3.516 4.375 1.00 15.44 C ATOM 1281 CG2 VAL A 74 -20.231 -4.064 2.308 1.00 70.41 C ATOM 0 H VAL A 74 -18.544 -1.811 2.279 1.00 61.34 H new ATOM 0 HA VAL A 74 -21.419 -1.507 2.611 1.00 34.44 H new ATOM 0 HB VAL A 74 -19.446 -3.249 4.086 1.00 31.10 H new ATOM 0 HG11 VAL A 74 -21.448 -4.564 4.664 1.00 15.44 H new ATOM 0 HG12 VAL A 74 -21.537 -2.892 5.269 1.00 15.44 H new ATOM 0 HG13 VAL A 74 -22.461 -3.366 3.824 1.00 15.44 H new ATOM 0 HG21 VAL A 74 -20.173 -5.095 2.656 1.00 70.41 H new ATOM 0 HG22 VAL A 74 -21.101 -3.947 1.662 1.00 70.41 H new ATOM 0 HG23 VAL A 74 -19.328 -3.819 1.748 1.00 70.41 H new ATOM 1291 N TYR A 75 -21.049 0.139 4.452 1.00 33.23 N ATOM 1292 CA TYR A 75 -20.910 1.121 5.489 1.00 63.35 C ATOM 1293 C TYR A 75 -21.008 0.514 6.861 1.00 62.20 C ATOM 1294 O TYR A 75 -21.876 -0.324 7.138 1.00 23.41 O ATOM 1295 CB TYR A 75 -21.896 2.261 5.298 1.00 55.35 C ATOM 1296 CG TYR A 75 -21.649 3.035 4.029 1.00 11.02 C ATOM 1297 CD1 TYR A 75 -20.786 4.113 4.024 1.00 44.51 C ATOM 1298 CD2 TYR A 75 -22.265 2.680 2.832 1.00 3.50 C ATOM 1299 CE1 TYR A 75 -20.542 4.820 2.874 1.00 72.33 C ATOM 1300 CE2 TYR A 75 -22.021 3.384 1.671 1.00 70.14 C ATOM 1301 CZ TYR A 75 -21.157 4.454 1.701 1.00 63.20 C ATOM 1302 OH TYR A 75 -20.901 5.165 0.552 1.00 3.13 O ATOM 0 H TYR A 75 -21.874 0.270 3.867 1.00 33.23 H new ATOM 0 HA TYR A 75 -19.906 1.539 5.410 1.00 63.35 H new ATOM 0 HB2 TYR A 75 -22.910 1.861 5.284 1.00 55.35 H new ATOM 0 HB3 TYR A 75 -21.833 2.938 6.150 1.00 55.35 H new ATOM 0 HD1 TYR A 75 -20.295 4.404 4.941 1.00 44.51 H new ATOM 0 HD2 TYR A 75 -22.944 1.841 2.812 1.00 3.50 H new ATOM 0 HE1 TYR A 75 -19.867 5.663 2.891 1.00 72.33 H new ATOM 0 HE2 TYR A 75 -22.503 3.098 0.748 1.00 70.14 H new ATOM 0 HH TYR A 75 -21.411 4.781 -0.191 1.00 3.13 H new ATOM 1312 N GLU A 76 -20.103 0.915 7.697 1.00 22.04 N ATOM 1313 CA GLU A 76 -20.001 0.412 9.017 1.00 2.35 C ATOM 1314 C GLU A 76 -20.852 1.223 9.962 1.00 61.43 C ATOM 1315 O GLU A 76 -20.724 2.447 10.047 1.00 64.43 O ATOM 1316 CB GLU A 76 -18.555 0.446 9.446 1.00 22.21 C ATOM 1317 CG GLU A 76 -18.294 -0.046 10.844 1.00 33.15 C ATOM 1318 CD GLU A 76 -16.843 0.040 11.188 1.00 65.33 C ATOM 1319 OE1 GLU A 76 -16.362 1.148 11.467 1.00 1.31 O ATOM 1320 OE2 GLU A 76 -16.151 -1.001 11.167 1.00 72.43 O ATOM 0 H GLU A 76 -19.401 1.619 7.468 1.00 22.04 H new ATOM 0 HA GLU A 76 -20.363 -0.616 9.041 1.00 2.35 H new ATOM 0 HB2 GLU A 76 -17.971 -0.156 8.750 1.00 22.21 H new ATOM 0 HB3 GLU A 76 -18.191 1.470 9.364 1.00 22.21 H new ATOM 0 HG2 GLU A 76 -18.874 0.544 11.554 1.00 33.15 H new ATOM 0 HG3 GLU A 76 -18.631 -1.078 10.937 1.00 33.15 H new ATOM 1327 N GLU A 77 -21.704 0.544 10.646 1.00 25.11 N ATOM 1328 CA GLU A 77 -22.557 1.143 11.617 1.00 22.13 C ATOM 1329 C GLU A 77 -22.270 0.475 12.960 1.00 74.54 C ATOM 1330 O GLU A 77 -22.960 -0.492 13.324 1.00 37.64 O ATOM 1331 CB GLU A 77 -24.032 0.964 11.201 1.00 55.40 C ATOM 1332 CG GLU A 77 -25.047 1.654 12.104 1.00 10.32 C ATOM 1333 CD GLU A 77 -24.888 3.151 12.127 1.00 13.24 C ATOM 1334 OE1 GLU A 77 -25.430 3.832 11.226 1.00 4.42 O ATOM 1335 OE2 GLU A 77 -24.234 3.680 13.039 1.00 65.44 O ATOM 1336 OXT GLU A 77 -21.308 0.875 13.632 1.00 37.64 O ATOM 0 H GLU A 77 -21.832 -0.463 10.546 1.00 25.11 H new ATOM 0 HA GLU A 77 -22.371 2.214 11.696 1.00 22.13 H new ATOM 0 HB2 GLU A 77 -24.156 1.342 10.186 1.00 55.40 H new ATOM 0 HB3 GLU A 77 -24.259 -0.102 11.174 1.00 55.40 H new ATOM 0 HG2 GLU A 77 -26.053 1.406 11.767 1.00 10.32 H new ATOM 0 HG3 GLU A 77 -24.946 1.267 13.118 1.00 10.32 H new TER 1343 GLU A 77