USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 552 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 56 TYR OH : rot 180:sc= 0.368 USER MOD Set 1.2: A 60 SER OG : rot 98:sc= 1.27 USER MOD Set 2.1: A 8 SER OG : rot -152:sc= 1.01 USER MOD Set 2.2: A 68 TYR OH : rot -151:sc= 1.93 USER MOD Set 2.3: A 73 HIS : no HD1:sc= -0.121 X(o=2.8,f=2.8) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -132:sc= 0.384 USER MOD Single : A 17 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.034) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.0017) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-7.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -1.69 K(o=-1.7,f=-2.5!) USER MOD Single : A 41 LYS NZ :NH3+ -154:sc= -0.125 (180deg=-0.72) USER MOD Single : A 42 SER OG : rot 29:sc= 0.147 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 146:sc= 0.614 USER MOD Single : A 63 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.27) USER MOD Single : A 66 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0219) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 2.395 11.596 -5.248 1.00 0.00 N ATOM 60 CA GLY A 7 1.288 11.655 -6.184 1.00 0.00 C ATOM 61 C GLY A 7 0.084 10.867 -5.708 1.00 0.00 C ATOM 62 O GLY A 7 -0.526 11.203 -4.693 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.000 12.695 -6.337 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.612 11.269 -7.150 1.00 0.00 H new ATOM 66 N SER A 8 -0.261 9.814 -6.443 1.00 0.00 N ATOM 67 CA SER A 8 -1.404 8.979 -6.093 1.00 0.00 C ATOM 68 C SER A 8 -0.954 7.733 -5.337 1.00 0.00 C ATOM 69 O SER A 8 0.186 7.287 -5.473 1.00 0.00 O ATOM 70 CB SER A 8 -2.171 8.575 -7.354 1.00 0.00 C ATOM 71 OG SER A 8 -2.877 7.362 -7.154 1.00 0.00 O ATOM 0 H SER A 8 0.235 9.519 -7.284 1.00 0.00 H new ATOM 0 HA SER A 8 -2.062 9.558 -5.445 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.870 9.366 -7.627 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.476 8.462 -8.186 1.00 0.00 H new ATOM 0 HG SER A 8 -2.975 6.895 -8.010 1.00 0.00 H new ATOM 77 N TYR A 9 -1.858 7.175 -4.539 1.00 0.00 N ATOM 78 CA TYR A 9 -1.555 5.982 -3.757 1.00 0.00 C ATOM 79 C TYR A 9 -0.946 4.894 -4.638 1.00 0.00 C ATOM 80 O TYR A 9 0.120 4.358 -4.334 1.00 0.00 O ATOM 81 CB TYR A 9 -2.821 5.456 -3.079 1.00 0.00 C ATOM 82 CG TYR A 9 -3.513 6.481 -2.210 1.00 0.00 C ATOM 83 CD1 TYR A 9 -2.794 7.502 -1.601 1.00 0.00 C ATOM 84 CD2 TYR A 9 -4.885 6.428 -1.997 1.00 0.00 C ATOM 85 CE1 TYR A 9 -3.422 8.441 -0.805 1.00 0.00 C ATOM 86 CE2 TYR A 9 -5.521 7.363 -1.204 1.00 0.00 C ATOM 87 CZ TYR A 9 -4.785 8.368 -0.610 1.00 0.00 C ATOM 88 OH TYR A 9 -5.415 9.300 0.182 1.00 0.00 O ATOM 0 H TYR A 9 -2.806 7.530 -4.417 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.828 6.254 -2.992 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.517 5.112 -3.844 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.563 4.590 -2.470 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.726 7.563 -1.752 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.464 5.642 -2.459 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.848 9.228 -0.338 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.588 7.308 -1.050 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.375 9.106 0.215 1.00 0.00 H new ATOM 98 N TYR A 10 -1.631 4.575 -5.730 1.00 0.00 N ATOM 99 CA TYR A 10 -1.161 3.550 -6.655 1.00 0.00 C ATOM 100 C TYR A 10 0.346 3.659 -6.867 1.00 0.00 C ATOM 101 O TYR A 10 1.024 2.660 -7.108 1.00 0.00 O ATOM 102 CB TYR A 10 -1.887 3.672 -7.996 1.00 0.00 C ATOM 103 CG TYR A 10 -3.382 3.475 -7.895 1.00 0.00 C ATOM 104 CD1 TYR A 10 -3.915 2.346 -7.284 1.00 0.00 C ATOM 105 CD2 TYR A 10 -4.263 4.418 -8.410 1.00 0.00 C ATOM 106 CE1 TYR A 10 -5.281 2.162 -7.190 1.00 0.00 C ATOM 107 CE2 TYR A 10 -5.631 4.242 -8.320 1.00 0.00 C ATOM 108 CZ TYR A 10 -6.134 3.113 -7.709 1.00 0.00 C ATOM 109 OH TYR A 10 -7.496 2.934 -7.617 1.00 0.00 O ATOM 0 H TYR A 10 -2.514 5.011 -5.997 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.379 2.575 -6.220 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.686 4.656 -8.420 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.478 2.937 -8.689 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.250 1.600 -6.876 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.872 5.304 -8.889 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.678 1.278 -6.713 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.302 4.985 -8.726 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.907 3.100 -8.491 1.00 0.00 H new ATOM 119 N ASP A 11 0.863 4.879 -6.775 1.00 0.00 N ATOM 120 CA ASP A 11 2.290 5.120 -6.956 1.00 0.00 C ATOM 121 C ASP A 11 3.055 4.847 -5.664 1.00 0.00 C ATOM 122 O ASP A 11 4.074 4.156 -5.669 1.00 0.00 O ATOM 123 CB ASP A 11 2.532 6.560 -7.412 1.00 0.00 C ATOM 124 CG ASP A 11 3.769 6.692 -8.279 1.00 0.00 C ATOM 125 OD1 ASP A 11 3.663 6.464 -9.502 1.00 0.00 O ATOM 126 OD2 ASP A 11 4.842 7.025 -7.734 1.00 0.00 O ATOM 0 H ASP A 11 0.316 5.716 -6.576 1.00 0.00 H new ATOM 0 HA ASP A 11 2.654 4.438 -7.724 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.663 6.913 -7.967 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.634 7.203 -6.538 1.00 0.00 H new ATOM 131 N ILE A 12 2.556 5.394 -4.561 1.00 0.00 N ATOM 132 CA ILE A 12 3.193 5.209 -3.263 1.00 0.00 C ATOM 133 C ILE A 12 3.291 3.731 -2.904 1.00 0.00 C ATOM 134 O ILE A 12 4.340 3.255 -2.466 1.00 0.00 O ATOM 135 CB ILE A 12 2.425 5.946 -2.149 1.00 0.00 C ATOM 136 CG1 ILE A 12 2.307 7.435 -2.480 1.00 0.00 C ATOM 137 CG2 ILE A 12 3.117 5.749 -0.809 1.00 0.00 C ATOM 138 CD1 ILE A 12 1.288 8.164 -1.632 1.00 0.00 C ATOM 0 H ILE A 12 1.713 5.968 -4.540 1.00 0.00 H new ATOM 0 HA ILE A 12 4.196 5.629 -3.341 1.00 0.00 H new ATOM 0 HB ILE A 12 1.421 5.527 -2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.281 7.906 -2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.039 7.545 -3.531 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.563 6.276 -0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.154 4.686 -0.571 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.131 6.144 -0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.258 9.214 -1.922 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.305 7.718 -1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.566 8.085 -0.581 1.00 0.00 H new ATOM 150 N LEU A 13 2.194 3.007 -3.095 1.00 0.00 N ATOM 151 CA LEU A 13 2.156 1.580 -2.793 1.00 0.00 C ATOM 152 C LEU A 13 2.862 0.775 -3.880 1.00 0.00 C ATOM 153 O LEU A 13 3.580 -0.181 -3.591 1.00 0.00 O ATOM 154 CB LEU A 13 0.708 1.107 -2.651 1.00 0.00 C ATOM 155 CG LEU A 13 -0.023 1.554 -1.385 1.00 0.00 C ATOM 156 CD1 LEU A 13 -1.495 1.181 -1.459 1.00 0.00 C ATOM 157 CD2 LEU A 13 0.623 0.939 -0.151 1.00 0.00 C ATOM 0 H LEU A 13 1.319 3.384 -3.458 1.00 0.00 H new ATOM 0 HA LEU A 13 2.678 1.419 -1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.145 1.460 -3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.698 0.018 -2.687 1.00 0.00 H new ATOM 0 HG LEU A 13 0.053 2.639 -1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.999 1.507 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.951 1.668 -2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.592 0.100 -1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.090 1.268 0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.578 -0.148 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.664 1.256 -0.089 1.00 0.00 H new ATOM 169 N GLY A 14 2.653 1.171 -5.132 1.00 0.00 N ATOM 170 CA GLY A 14 3.278 0.477 -6.243 1.00 0.00 C ATOM 171 C GLY A 14 2.354 -0.538 -6.886 1.00 0.00 C ATOM 172 O GLY A 14 2.795 -1.602 -7.321 1.00 0.00 O ATOM 0 H GLY A 14 2.062 1.959 -5.397 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.591 1.204 -6.992 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.179 -0.027 -5.892 1.00 0.00 H new ATOM 176 N VAL A 15 1.067 -0.210 -6.945 1.00 0.00 N ATOM 177 CA VAL A 15 0.078 -1.101 -7.539 1.00 0.00 C ATOM 178 C VAL A 15 -0.671 -0.413 -8.675 1.00 0.00 C ATOM 179 O VAL A 15 -0.822 0.809 -8.701 1.00 0.00 O ATOM 180 CB VAL A 15 -0.939 -1.590 -6.491 1.00 0.00 C ATOM 181 CG1 VAL A 15 -0.316 -2.651 -5.596 1.00 0.00 C ATOM 182 CG2 VAL A 15 -1.456 -0.421 -5.665 1.00 0.00 C ATOM 0 H VAL A 15 0.685 0.666 -6.589 1.00 0.00 H new ATOM 0 HA VAL A 15 0.623 -1.959 -7.934 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.784 -2.039 -7.012 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.050 -2.984 -4.862 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.001 -3.499 -6.203 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.548 -2.231 -5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.174 -0.784 -4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.622 0.059 -5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.943 0.301 -6.321 1.00 0.00 H new ATOM 192 N PRO A 16 -1.153 -1.213 -9.637 1.00 0.00 N ATOM 193 CA PRO A 16 -1.896 -0.703 -10.793 1.00 0.00 C ATOM 194 C PRO A 16 -3.273 -0.172 -10.409 1.00 0.00 C ATOM 195 O PRO A 16 -3.811 -0.515 -9.357 1.00 0.00 O ATOM 196 CB PRO A 16 -2.029 -1.930 -11.699 1.00 0.00 C ATOM 197 CG PRO A 16 -1.943 -3.094 -10.774 1.00 0.00 C ATOM 198 CD PRO A 16 -1.011 -2.679 -9.670 1.00 0.00 C ATOM 0 HA PRO A 16 -1.389 0.139 -11.264 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.976 -1.923 -12.239 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.236 -1.958 -12.446 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.926 -3.351 -10.379 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.566 -3.976 -11.291 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.289 -3.131 -8.718 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.016 -2.979 -9.877 1.00 0.00 H new ATOM 206 N LYS A 17 -3.839 0.668 -11.270 1.00 0.00 N ATOM 207 CA LYS A 17 -5.154 1.246 -11.022 1.00 0.00 C ATOM 208 C LYS A 17 -6.210 0.154 -10.879 1.00 0.00 C ATOM 209 O LYS A 17 -7.196 0.322 -10.162 1.00 0.00 O ATOM 210 CB LYS A 17 -5.538 2.196 -12.159 1.00 0.00 C ATOM 211 CG LYS A 17 -4.821 3.534 -12.102 1.00 0.00 C ATOM 212 CD LYS A 17 -3.390 3.420 -12.598 1.00 0.00 C ATOM 213 CE LYS A 17 -2.721 4.783 -12.687 1.00 0.00 C ATOM 214 NZ LYS A 17 -3.224 5.574 -13.843 1.00 0.00 N ATOM 0 H LYS A 17 -3.407 0.963 -12.146 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.107 1.806 -10.088 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.318 1.716 -13.112 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.614 2.368 -12.130 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.360 4.263 -12.707 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.824 3.906 -11.077 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.821 2.777 -11.926 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.380 2.944 -13.579 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.899 5.335 -11.764 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.643 4.653 -12.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.662 6.444 -13.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.140 5.010 -14.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.222 5.822 -13.686 1.00 0.00 H new ATOM 228 N SER A 18 -5.996 -0.964 -11.566 1.00 0.00 N ATOM 229 CA SER A 18 -6.930 -2.082 -11.516 1.00 0.00 C ATOM 230 C SER A 18 -6.369 -3.223 -10.673 1.00 0.00 C ATOM 231 O SER A 18 -6.772 -4.376 -10.822 1.00 0.00 O ATOM 232 CB SER A 18 -7.236 -2.581 -12.930 1.00 0.00 C ATOM 233 OG SER A 18 -8.531 -3.153 -12.999 1.00 0.00 O ATOM 0 H SER A 18 -5.184 -1.119 -12.164 1.00 0.00 H new ATOM 0 HA SER A 18 -7.853 -1.732 -11.053 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.162 -1.753 -13.635 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.492 -3.320 -13.227 1.00 0.00 H new ATOM 0 HG SER A 18 -8.703 -3.463 -13.913 1.00 0.00 H new ATOM 239 N ALA A 19 -5.435 -2.891 -9.787 1.00 0.00 N ATOM 240 CA ALA A 19 -4.819 -3.886 -8.918 1.00 0.00 C ATOM 241 C ALA A 19 -5.871 -4.634 -8.107 1.00 0.00 C ATOM 242 O ALA A 19 -6.851 -4.045 -7.650 1.00 0.00 O ATOM 243 CB ALA A 19 -3.808 -3.224 -7.992 1.00 0.00 C ATOM 0 H ALA A 19 -5.089 -1.941 -9.653 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.301 -4.610 -9.547 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.355 -3.978 -7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.032 -2.741 -8.586 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.312 -2.478 -7.377 1.00 0.00 H new ATOM 249 N SER A 20 -5.663 -5.935 -7.933 1.00 0.00 N ATOM 250 CA SER A 20 -6.597 -6.765 -7.181 1.00 0.00 C ATOM 251 C SER A 20 -6.364 -6.621 -5.680 1.00 0.00 C ATOM 252 O SER A 20 -5.238 -6.406 -5.234 1.00 0.00 O ATOM 253 CB SER A 20 -6.454 -8.232 -7.593 1.00 0.00 C ATOM 254 OG SER A 20 -6.822 -8.419 -8.948 1.00 0.00 O ATOM 0 H SER A 20 -4.856 -6.437 -8.303 1.00 0.00 H new ATOM 0 HA SER A 20 -7.609 -6.428 -7.408 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.424 -8.556 -7.445 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.079 -8.855 -6.954 1.00 0.00 H new ATOM 0 HG SER A 20 -6.720 -9.364 -9.187 1.00 0.00 H new ATOM 260 N GLU A 21 -7.439 -6.741 -4.907 1.00 0.00 N ATOM 261 CA GLU A 21 -7.352 -6.624 -3.456 1.00 0.00 C ATOM 262 C GLU A 21 -6.094 -7.308 -2.929 1.00 0.00 C ATOM 263 O GLU A 21 -5.349 -6.734 -2.134 1.00 0.00 O ATOM 264 CB GLU A 21 -8.591 -7.234 -2.798 1.00 0.00 C ATOM 265 CG GLU A 21 -8.946 -6.600 -1.463 1.00 0.00 C ATOM 266 CD GLU A 21 -10.334 -6.982 -0.986 1.00 0.00 C ATOM 267 OE1 GLU A 21 -10.532 -8.161 -0.624 1.00 0.00 O ATOM 268 OE2 GLU A 21 -11.222 -6.104 -0.975 1.00 0.00 O ATOM 0 H GLU A 21 -8.379 -6.919 -5.261 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.300 -5.564 -3.205 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.439 -7.133 -3.476 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.426 -8.301 -2.651 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.213 -6.902 -0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.882 -5.515 -1.552 1.00 0.00 H new ATOM 275 N ARG A 22 -5.864 -8.537 -3.378 1.00 0.00 N ATOM 276 CA ARG A 22 -4.697 -9.301 -2.950 1.00 0.00 C ATOM 277 C ARG A 22 -3.408 -8.565 -3.302 1.00 0.00 C ATOM 278 O ARG A 22 -2.451 -8.566 -2.527 1.00 0.00 O ATOM 279 CB ARG A 22 -4.701 -10.685 -3.602 1.00 0.00 C ATOM 280 CG ARG A 22 -3.423 -11.473 -3.364 1.00 0.00 C ATOM 281 CD ARG A 22 -3.328 -12.673 -4.293 1.00 0.00 C ATOM 282 NE ARG A 22 -3.104 -12.275 -5.680 1.00 0.00 N ATOM 283 CZ ARG A 22 -2.936 -13.139 -6.674 1.00 0.00 C ATOM 284 NH1 ARG A 22 -2.965 -14.443 -6.436 1.00 0.00 N ATOM 285 NH2 ARG A 22 -2.737 -12.700 -7.911 1.00 0.00 N ATOM 0 H ARG A 22 -6.469 -9.026 -4.038 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.745 -9.417 -1.867 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.547 -11.256 -3.218 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.854 -10.571 -4.675 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.560 -10.824 -3.516 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.389 -11.810 -2.328 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.515 -13.321 -3.966 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.247 -13.256 -4.227 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.075 -11.279 -5.897 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.117 -14.785 -5.487 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.836 -15.104 -7.202 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.713 -11.698 -8.099 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.608 -13.365 -8.674 1.00 0.00 H new ATOM 299 N GLN A 23 -3.390 -7.938 -4.474 1.00 0.00 N ATOM 300 CA GLN A 23 -2.218 -7.200 -4.927 1.00 0.00 C ATOM 301 C GLN A 23 -1.940 -6.008 -4.017 1.00 0.00 C ATOM 302 O GLN A 23 -0.790 -5.732 -3.673 1.00 0.00 O ATOM 303 CB GLN A 23 -2.415 -6.723 -6.367 1.00 0.00 C ATOM 304 CG GLN A 23 -2.216 -7.817 -7.403 1.00 0.00 C ATOM 305 CD GLN A 23 -1.699 -7.283 -8.725 1.00 0.00 C ATOM 306 OE1 GLN A 23 -0.700 -7.768 -9.255 1.00 0.00 O ATOM 307 NE2 GLN A 23 -2.380 -6.279 -9.264 1.00 0.00 N ATOM 0 H GLN A 23 -4.174 -7.927 -5.126 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.360 -7.871 -4.888 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.420 -6.314 -6.471 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.718 -5.910 -6.570 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.515 -8.556 -7.015 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.163 -8.332 -7.569 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.203 -5.908 -8.789 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -2.080 -5.879 -10.153 1.00 0.00 H new ATOM 316 N ILE A 24 -2.999 -5.304 -3.632 1.00 0.00 N ATOM 317 CA ILE A 24 -2.869 -4.142 -2.762 1.00 0.00 C ATOM 318 C ILE A 24 -2.310 -4.536 -1.399 1.00 0.00 C ATOM 319 O ILE A 24 -1.250 -4.062 -0.989 1.00 0.00 O ATOM 320 CB ILE A 24 -4.221 -3.432 -2.564 1.00 0.00 C ATOM 321 CG1 ILE A 24 -4.681 -2.791 -3.875 1.00 0.00 C ATOM 322 CG2 ILE A 24 -4.114 -2.386 -1.465 1.00 0.00 C ATOM 323 CD1 ILE A 24 -6.177 -2.574 -3.949 1.00 0.00 C ATOM 0 H ILE A 24 -3.957 -5.518 -3.909 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.177 -3.457 -3.252 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.963 -4.172 -2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.176 -1.833 -3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.372 -3.423 -4.707 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.078 -1.893 -1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.826 -2.868 -0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.361 -1.646 -1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.431 -2.116 -4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.689 -3.532 -3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.490 -1.917 -3.138 1.00 0.00 H new ATOM 335 N LYS A 25 -3.029 -5.408 -0.700 1.00 0.00 N ATOM 336 CA LYS A 25 -2.605 -5.870 0.616 1.00 0.00 C ATOM 337 C LYS A 25 -1.174 -6.394 0.574 1.00 0.00 C ATOM 338 O LYS A 25 -0.386 -6.155 1.490 1.00 0.00 O ATOM 339 CB LYS A 25 -3.546 -6.966 1.122 1.00 0.00 C ATOM 340 CG LYS A 25 -4.803 -6.430 1.785 1.00 0.00 C ATOM 341 CD LYS A 25 -5.924 -6.233 0.779 1.00 0.00 C ATOM 342 CE LYS A 25 -6.985 -5.278 1.305 1.00 0.00 C ATOM 343 NZ LYS A 25 -7.950 -5.965 2.208 1.00 0.00 N ATOM 0 H LYS A 25 -3.909 -5.809 -1.024 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.643 -5.022 1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.830 -7.604 0.285 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.010 -7.594 1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.128 -7.121 2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.581 -5.482 2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.514 -5.845 -0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.381 -7.195 0.549 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.504 -4.460 1.842 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.523 -4.836 0.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.657 -5.281 2.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.428 -6.729 1.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.440 -6.365 3.021 1.00 0.00 H new ATOM 357 N LYS A 26 -0.841 -7.109 -0.496 1.00 0.00 N ATOM 358 CA LYS A 26 0.497 -7.665 -0.660 1.00 0.00 C ATOM 359 C LYS A 26 1.526 -6.557 -0.854 1.00 0.00 C ATOM 360 O LYS A 26 2.566 -6.540 -0.195 1.00 0.00 O ATOM 361 CB LYS A 26 0.531 -8.622 -1.854 1.00 0.00 C ATOM 362 CG LYS A 26 0.100 -10.037 -1.511 1.00 0.00 C ATOM 363 CD LYS A 26 0.423 -11.006 -2.636 1.00 0.00 C ATOM 364 CE LYS A 26 1.840 -11.547 -2.516 1.00 0.00 C ATOM 365 NZ LYS A 26 1.932 -12.643 -1.512 1.00 0.00 N ATOM 0 H LYS A 26 -1.480 -7.317 -1.263 1.00 0.00 H new ATOM 0 HA LYS A 26 0.748 -8.216 0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.118 -8.234 -2.639 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.542 -8.647 -2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.600 -10.359 -0.597 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.971 -10.054 -1.311 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.286 -11.834 -2.620 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.304 -10.503 -3.596 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.172 -11.915 -3.487 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.515 -10.739 -2.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.913 -12.985 -1.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.640 -12.286 -0.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.308 -13.425 -1.794 1.00 0.00 H new ATOM 379 N ALA A 27 1.230 -5.632 -1.761 1.00 0.00 N ATOM 380 CA ALA A 27 2.129 -4.518 -2.038 1.00 0.00 C ATOM 381 C ALA A 27 2.353 -3.670 -0.791 1.00 0.00 C ATOM 382 O ALA A 27 3.463 -3.200 -0.538 1.00 0.00 O ATOM 383 CB ALA A 27 1.575 -3.662 -3.168 1.00 0.00 C ATOM 0 H ALA A 27 0.375 -5.632 -2.317 1.00 0.00 H new ATOM 0 HA ALA A 27 3.092 -4.927 -2.345 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.256 -2.834 -3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.473 -4.269 -4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.599 -3.269 -2.882 1.00 0.00 H new ATOM 389 N PHE A 28 1.292 -3.477 -0.013 1.00 0.00 N ATOM 390 CA PHE A 28 1.374 -2.683 1.207 1.00 0.00 C ATOM 391 C PHE A 28 2.150 -3.428 2.290 1.00 0.00 C ATOM 392 O PHE A 28 3.167 -2.943 2.785 1.00 0.00 O ATOM 393 CB PHE A 28 -0.030 -2.343 1.714 1.00 0.00 C ATOM 394 CG PHE A 28 -0.030 -1.518 2.969 1.00 0.00 C ATOM 395 CD1 PHE A 28 0.925 -0.535 3.169 1.00 0.00 C ATOM 396 CD2 PHE A 28 -0.986 -1.727 3.950 1.00 0.00 C ATOM 397 CE1 PHE A 28 0.928 0.226 4.323 1.00 0.00 C ATOM 398 CE2 PHE A 28 -0.989 -0.970 5.106 1.00 0.00 C ATOM 399 CZ PHE A 28 -0.030 0.007 5.293 1.00 0.00 C ATOM 0 H PHE A 28 0.366 -3.860 -0.206 1.00 0.00 H new ATOM 0 HA PHE A 28 1.904 -1.759 0.975 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.569 -1.804 0.934 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.576 -3.269 1.897 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.677 -0.361 2.414 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.737 -2.490 3.810 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.678 0.990 4.466 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.740 -1.142 5.863 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.030 0.599 6.197 1.00 0.00 H new ATOM 409 N HIS A 29 1.662 -4.610 2.652 1.00 0.00 N ATOM 410 CA HIS A 29 2.309 -5.423 3.676 1.00 0.00 C ATOM 411 C HIS A 29 3.820 -5.454 3.470 1.00 0.00 C ATOM 412 O HIS A 29 4.583 -4.996 4.322 1.00 0.00 O ATOM 413 CB HIS A 29 1.751 -6.847 3.655 1.00 0.00 C ATOM 414 CG HIS A 29 0.533 -7.026 4.508 1.00 0.00 C ATOM 415 ND1 HIS A 29 0.375 -8.080 5.382 1.00 0.00 N ATOM 416 CD2 HIS A 29 -0.588 -6.275 4.620 1.00 0.00 C ATOM 417 CE1 HIS A 29 -0.791 -7.972 5.993 1.00 0.00 C ATOM 418 NE2 HIS A 29 -1.395 -6.885 5.548 1.00 0.00 N ATOM 0 H HIS A 29 0.821 -5.026 2.252 1.00 0.00 H new ATOM 0 HA HIS A 29 2.101 -4.973 4.647 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.508 -7.118 2.628 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.525 -7.537 3.992 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.807 -5.366 4.080 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.184 -8.656 6.731 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.312 -6.553 5.846 1.00 0.00 H new ATOM 426 N LYS A 30 4.247 -5.996 2.335 1.00 0.00 N ATOM 427 CA LYS A 30 5.667 -6.086 2.016 1.00 0.00 C ATOM 428 C LYS A 30 6.361 -4.746 2.238 1.00 0.00 C ATOM 429 O LYS A 30 7.400 -4.674 2.896 1.00 0.00 O ATOM 430 CB LYS A 30 5.858 -6.537 0.566 1.00 0.00 C ATOM 431 CG LYS A 30 5.276 -5.571 -0.452 1.00 0.00 C ATOM 432 CD LYS A 30 5.045 -6.248 -1.793 1.00 0.00 C ATOM 433 CE LYS A 30 6.173 -7.210 -2.134 1.00 0.00 C ATOM 434 NZ LYS A 30 6.099 -7.672 -3.548 1.00 0.00 N ATOM 0 H LYS A 30 3.629 -6.380 1.620 1.00 0.00 H new ATOM 0 HA LYS A 30 6.117 -6.823 2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.923 -6.661 0.370 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.394 -7.514 0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.334 -5.171 -0.078 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.952 -4.726 -0.581 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.099 -6.789 -1.771 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.962 -5.492 -2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.132 -6.721 -1.961 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.130 -8.071 -1.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.884 -8.326 -3.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.195 -8.161 -3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.166 -6.853 -4.185 1.00 0.00 H new ATOM 448 N LEU A 31 5.780 -3.685 1.688 1.00 0.00 N ATOM 449 CA LEU A 31 6.341 -2.346 1.827 1.00 0.00 C ATOM 450 C LEU A 31 6.511 -1.977 3.298 1.00 0.00 C ATOM 451 O LEU A 31 7.630 -1.811 3.781 1.00 0.00 O ATOM 452 CB LEU A 31 5.444 -1.321 1.132 1.00 0.00 C ATOM 453 CG LEU A 31 5.600 -1.212 -0.385 1.00 0.00 C ATOM 454 CD1 LEU A 31 4.428 -0.453 -0.988 1.00 0.00 C ATOM 455 CD2 LEU A 31 6.915 -0.534 -0.739 1.00 0.00 C ATOM 0 H LEU A 31 4.920 -3.727 1.141 1.00 0.00 H new ATOM 0 HA LEU A 31 7.323 -2.339 1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.406 -1.567 1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.640 -0.342 1.569 1.00 0.00 H new ATOM 0 HG LEU A 31 5.609 -2.218 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.556 -0.385 -2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.500 -0.979 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.387 0.550 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.009 -0.465 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.935 0.467 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.744 -1.118 -0.339 1.00 0.00 H new ATOM 467 N ALA A 32 5.392 -1.853 4.004 1.00 0.00 N ATOM 468 CA ALA A 32 5.417 -1.508 5.420 1.00 0.00 C ATOM 469 C ALA A 32 6.638 -2.106 6.109 1.00 0.00 C ATOM 470 O ALA A 32 7.239 -1.480 6.981 1.00 0.00 O ATOM 471 CB ALA A 32 4.141 -1.980 6.100 1.00 0.00 C ATOM 0 H ALA A 32 4.457 -1.986 3.619 1.00 0.00 H new ATOM 0 HA ALA A 32 5.481 -0.423 5.504 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.173 -1.716 7.157 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.281 -1.501 5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.054 -3.062 5.999 1.00 0.00 H new ATOM 477 N MET A 33 7.000 -3.322 5.713 1.00 0.00 N ATOM 478 CA MET A 33 8.150 -4.004 6.293 1.00 0.00 C ATOM 479 C MET A 33 9.446 -3.278 5.944 1.00 0.00 C ATOM 480 O MET A 33 10.279 -3.021 6.813 1.00 0.00 O ATOM 481 CB MET A 33 8.214 -5.451 5.800 1.00 0.00 C ATOM 482 CG MET A 33 6.973 -6.262 6.133 1.00 0.00 C ATOM 483 SD MET A 33 6.379 -5.966 7.810 1.00 0.00 S ATOM 484 CE MET A 33 4.663 -6.454 7.653 1.00 0.00 C ATOM 0 H MET A 33 6.513 -3.855 4.993 1.00 0.00 H new ATOM 0 HA MET A 33 8.033 -4.002 7.377 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.360 -5.452 4.720 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.085 -5.938 6.239 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.183 -6.017 5.423 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.193 -7.323 6.012 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.160 -6.327 8.611 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.175 -5.833 6.902 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.608 -7.500 7.350 1.00 0.00 H new ATOM 494 N LYS A 34 9.610 -2.951 4.666 1.00 0.00 N ATOM 495 CA LYS A 34 10.803 -2.254 4.202 1.00 0.00 C ATOM 496 C LYS A 34 10.902 -0.867 4.830 1.00 0.00 C ATOM 497 O LYS A 34 11.998 -0.358 5.063 1.00 0.00 O ATOM 498 CB LYS A 34 10.787 -2.135 2.676 1.00 0.00 C ATOM 499 CG LYS A 34 11.930 -1.303 2.119 1.00 0.00 C ATOM 500 CD LYS A 34 11.559 -0.664 0.792 1.00 0.00 C ATOM 501 CE LYS A 34 11.881 -1.581 -0.378 1.00 0.00 C ATOM 502 NZ LYS A 34 10.736 -2.470 -0.718 1.00 0.00 N ATOM 0 H LYS A 34 8.931 -3.158 3.933 1.00 0.00 H new ATOM 0 HA LYS A 34 11.674 -2.834 4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.830 -3.134 2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.841 -1.692 2.364 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.199 -0.527 2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.809 -1.933 1.987 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.495 -0.426 0.787 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.097 0.277 0.677 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.145 -0.980 -1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.752 -2.189 -0.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.996 -3.079 -1.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.500 -3.062 0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.911 -1.891 -0.976 1.00 0.00 H new ATOM 516 N TYR A 35 9.751 -0.263 5.102 1.00 0.00 N ATOM 517 CA TYR A 35 9.708 1.065 5.702 1.00 0.00 C ATOM 518 C TYR A 35 9.178 1.001 7.131 1.00 0.00 C ATOM 519 O TYR A 35 8.738 2.007 7.688 1.00 0.00 O ATOM 520 CB TYR A 35 8.834 1.999 4.863 1.00 0.00 C ATOM 521 CG TYR A 35 9.421 2.324 3.508 1.00 0.00 C ATOM 522 CD1 TYR A 35 10.430 3.269 3.375 1.00 0.00 C ATOM 523 CD2 TYR A 35 8.965 1.686 2.361 1.00 0.00 C ATOM 524 CE1 TYR A 35 10.969 3.570 2.139 1.00 0.00 C ATOM 525 CE2 TYR A 35 9.499 1.979 1.121 1.00 0.00 C ATOM 526 CZ TYR A 35 10.500 2.922 1.015 1.00 0.00 C ATOM 527 OH TYR A 35 11.034 3.217 -0.218 1.00 0.00 O ATOM 0 H TYR A 35 8.835 -0.672 4.917 1.00 0.00 H new ATOM 0 HA TYR A 35 10.725 1.456 5.729 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.855 1.540 4.725 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.676 2.927 5.413 1.00 0.00 H new ATOM 0 HD1 TYR A 35 10.800 3.777 4.253 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.180 0.949 2.440 1.00 0.00 H new ATOM 0 HE1 TYR A 35 11.753 4.308 2.053 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.135 1.472 0.239 1.00 0.00 H new ATOM 0 HH TYR A 35 10.594 2.672 -0.904 1.00 0.00 H new ATOM 537 N HIS A 36 9.225 -0.190 7.719 1.00 0.00 N ATOM 538 CA HIS A 36 8.751 -0.388 9.085 1.00 0.00 C ATOM 539 C HIS A 36 9.655 0.330 10.083 1.00 0.00 C ATOM 540 O HIS A 36 10.882 0.260 10.008 1.00 0.00 O ATOM 541 CB HIS A 36 8.690 -1.879 9.415 1.00 0.00 C ATOM 542 CG HIS A 36 7.625 -2.230 10.407 1.00 0.00 C ATOM 543 ND1 HIS A 36 7.723 -1.938 11.751 1.00 0.00 N ATOM 544 CD2 HIS A 36 6.433 -2.850 10.244 1.00 0.00 C ATOM 545 CE1 HIS A 36 6.638 -2.365 12.372 1.00 0.00 C ATOM 546 NE2 HIS A 36 5.839 -2.923 11.480 1.00 0.00 N ATOM 0 H HIS A 36 9.586 -1.032 7.272 1.00 0.00 H new ATOM 0 HA HIS A 36 7.749 0.034 9.160 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.518 -2.439 8.496 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.657 -2.196 9.805 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.025 -3.219 9.315 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.438 -2.273 13.429 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.929 -3.340 11.677 1.00 0.00 H new ATOM 554 N PRO A 37 9.037 1.038 11.039 1.00 0.00 N ATOM 555 CA PRO A 37 9.766 1.782 12.070 1.00 0.00 C ATOM 556 C PRO A 37 10.464 0.861 13.066 1.00 0.00 C ATOM 557 O PRO A 37 11.498 1.214 13.633 1.00 0.00 O ATOM 558 CB PRO A 37 8.669 2.590 12.768 1.00 0.00 C ATOM 559 CG PRO A 37 7.420 1.811 12.538 1.00 0.00 C ATOM 560 CD PRO A 37 7.577 1.165 11.189 1.00 0.00 C ATOM 0 HA PRO A 37 10.561 2.395 11.644 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.876 2.701 13.832 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.591 3.594 12.352 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.279 1.061 13.316 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.545 2.461 12.560 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.083 0.194 11.148 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.143 1.777 10.398 1.00 0.00 H new ATOM 568 N ASP A 38 9.892 -0.320 13.273 1.00 0.00 N ATOM 569 CA ASP A 38 10.460 -1.292 14.199 1.00 0.00 C ATOM 570 C ASP A 38 11.667 -1.991 13.581 1.00 0.00 C ATOM 571 O ASP A 38 12.741 -2.048 14.181 1.00 0.00 O ATOM 572 CB ASP A 38 9.406 -2.326 14.597 1.00 0.00 C ATOM 573 CG ASP A 38 9.821 -3.140 15.807 1.00 0.00 C ATOM 574 OD1 ASP A 38 10.943 -3.686 15.798 1.00 0.00 O ATOM 575 OD2 ASP A 38 9.022 -3.232 16.763 1.00 0.00 O ATOM 0 H ASP A 38 9.036 -0.627 12.812 1.00 0.00 H new ATOM 0 HA ASP A 38 10.789 -0.758 15.090 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.465 -1.818 14.810 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.224 -2.996 13.757 1.00 0.00 H new ATOM 580 N LYS A 39 11.484 -2.523 12.377 1.00 0.00 N ATOM 581 CA LYS A 39 12.557 -3.218 11.675 1.00 0.00 C ATOM 582 C LYS A 39 13.577 -2.227 11.122 1.00 0.00 C ATOM 583 O LYS A 39 14.784 -2.426 11.255 1.00 0.00 O ATOM 584 CB LYS A 39 11.985 -4.066 10.537 1.00 0.00 C ATOM 585 CG LYS A 39 10.865 -4.994 10.975 1.00 0.00 C ATOM 586 CD LYS A 39 11.402 -6.343 11.423 1.00 0.00 C ATOM 587 CE LYS A 39 11.757 -7.224 10.235 1.00 0.00 C ATOM 588 NZ LYS A 39 12.719 -8.298 10.609 1.00 0.00 N ATOM 0 H LYS A 39 10.602 -2.486 11.867 1.00 0.00 H new ATOM 0 HA LYS A 39 13.060 -3.871 12.388 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.613 -3.405 9.754 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.787 -4.660 10.099 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.308 -4.534 11.791 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.165 -5.135 10.151 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.285 -6.196 12.045 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.657 -6.845 12.040 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.849 -7.674 9.832 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.187 -6.610 9.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.936 -8.877 9.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.595 -7.869 10.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.299 -8.899 11.346 1.00 0.00 H new ATOM 602 N ASN A 40 13.083 -1.160 10.504 1.00 0.00 N ATOM 603 CA ASN A 40 13.951 -0.138 9.931 1.00 0.00 C ATOM 604 C ASN A 40 14.395 0.859 10.998 1.00 0.00 C ATOM 605 O ASN A 40 13.606 1.262 11.853 1.00 0.00 O ATOM 606 CB ASN A 40 13.232 0.597 8.798 1.00 0.00 C ATOM 607 CG ASN A 40 14.189 1.097 7.734 1.00 0.00 C ATOM 608 OD1 ASN A 40 15.390 0.831 7.789 1.00 0.00 O ATOM 609 ND2 ASN A 40 13.660 1.824 6.757 1.00 0.00 N ATOM 0 H ASN A 40 12.086 -0.980 10.387 1.00 0.00 H new ATOM 0 HA ASN A 40 14.836 -0.632 9.529 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.502 -0.071 8.341 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.678 1.441 9.210 1.00 0.00 H new ATOM 0 HD21 ASN A 40 14.255 2.187 6.012 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.659 2.020 6.752 1.00 0.00 H new ATOM 616 N LYS A 41 15.662 1.253 10.941 1.00 0.00 N ATOM 617 CA LYS A 41 16.212 2.204 11.900 1.00 0.00 C ATOM 618 C LYS A 41 16.671 3.479 11.200 1.00 0.00 C ATOM 619 O LYS A 41 17.869 3.720 11.051 1.00 0.00 O ATOM 620 CB LYS A 41 17.384 1.576 12.658 1.00 0.00 C ATOM 621 CG LYS A 41 18.447 0.983 11.750 1.00 0.00 C ATOM 622 CD LYS A 41 19.314 -0.022 12.490 1.00 0.00 C ATOM 623 CE LYS A 41 20.486 0.657 13.182 1.00 0.00 C ATOM 624 NZ LYS A 41 21.408 1.304 12.208 1.00 0.00 N ATOM 0 H LYS A 41 16.328 0.928 10.240 1.00 0.00 H new ATOM 0 HA LYS A 41 15.425 2.462 12.609 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.842 2.334 13.294 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.003 0.795 13.316 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.970 0.497 10.899 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.073 1.781 11.351 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.711 -0.551 13.228 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.687 -0.769 11.789 1.00 0.00 H new ATOM 0 HE2 LYS A 41 20.111 1.406 13.879 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.036 -0.078 13.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.362 1.361 12.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.440 0.742 11.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.067 2.262 11.991 1.00 0.00 H new ATOM 638 N SER A 42 15.710 4.293 10.773 1.00 0.00 N ATOM 639 CA SER A 42 16.016 5.543 10.087 1.00 0.00 C ATOM 640 C SER A 42 14.930 6.583 10.342 1.00 0.00 C ATOM 641 O SER A 42 13.759 6.260 10.541 1.00 0.00 O ATOM 642 CB SER A 42 16.163 5.301 8.583 1.00 0.00 C ATOM 643 OG SER A 42 17.498 4.964 8.249 1.00 0.00 O ATOM 0 H SER A 42 14.714 4.109 10.890 1.00 0.00 H new ATOM 0 HA SER A 42 16.958 5.923 10.481 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.494 4.498 8.273 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.863 6.195 8.037 1.00 0.00 H new ATOM 0 HG SER A 42 17.922 4.514 9.010 1.00 0.00 H new ATOM 649 N PRO A 43 15.326 7.865 10.338 1.00 0.00 N ATOM 650 CA PRO A 43 14.403 8.980 10.567 1.00 0.00 C ATOM 651 C PRO A 43 13.430 9.174 9.409 1.00 0.00 C ATOM 652 O PRO A 43 12.321 9.676 9.594 1.00 0.00 O ATOM 653 CB PRO A 43 15.332 10.190 10.693 1.00 0.00 C ATOM 654 CG PRO A 43 16.555 9.810 9.932 1.00 0.00 C ATOM 655 CD PRO A 43 16.706 8.324 10.107 1.00 0.00 C ATOM 0 HA PRO A 43 13.774 8.815 11.442 1.00 0.00 H new ATOM 0 HB2 PRO A 43 14.871 11.087 10.280 1.00 0.00 H new ATOM 0 HB3 PRO A 43 15.565 10.403 11.736 1.00 0.00 H new ATOM 0 HG2 PRO A 43 16.456 10.071 8.878 1.00 0.00 H new ATOM 0 HG3 PRO A 43 17.430 10.339 10.310 1.00 0.00 H new ATOM 0 HD2 PRO A 43 17.142 7.858 9.223 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.356 8.083 10.948 1.00 0.00 H new ATOM 663 N ASP A 44 13.851 8.773 8.214 1.00 0.00 N ATOM 664 CA ASP A 44 13.016 8.902 7.026 1.00 0.00 C ATOM 665 C ASP A 44 12.037 7.737 6.921 1.00 0.00 C ATOM 666 O ASP A 44 10.920 7.894 6.429 1.00 0.00 O ATOM 667 CB ASP A 44 13.887 8.967 5.770 1.00 0.00 C ATOM 668 CG ASP A 44 15.121 8.094 5.874 1.00 0.00 C ATOM 669 OD1 ASP A 44 16.134 8.562 6.436 1.00 0.00 O ATOM 670 OD2 ASP A 44 15.075 6.942 5.395 1.00 0.00 O ATOM 0 H ASP A 44 14.766 8.356 8.043 1.00 0.00 H new ATOM 0 HA ASP A 44 12.445 9.826 7.112 1.00 0.00 H new ATOM 0 HB2 ASP A 44 13.298 8.657 4.907 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.190 9.999 5.595 1.00 0.00 H new ATOM 675 N ALA A 45 12.464 6.568 7.386 1.00 0.00 N ATOM 676 CA ALA A 45 11.625 5.377 7.346 1.00 0.00 C ATOM 677 C ALA A 45 10.263 5.643 7.977 1.00 0.00 C ATOM 678 O ALA A 45 9.226 5.385 7.367 1.00 0.00 O ATOM 679 CB ALA A 45 12.318 4.219 8.049 1.00 0.00 C ATOM 0 H ALA A 45 13.387 6.420 7.795 1.00 0.00 H new ATOM 0 HA ALA A 45 11.466 5.110 6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.680 3.336 8.011 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.264 4.005 7.551 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.508 4.486 9.089 1.00 0.00 H new ATOM 685 N GLU A 46 10.274 6.160 9.202 1.00 0.00 N ATOM 686 CA GLU A 46 9.038 6.460 9.915 1.00 0.00 C ATOM 687 C GLU A 46 8.078 7.252 9.032 1.00 0.00 C ATOM 688 O GLU A 46 6.906 6.902 8.902 1.00 0.00 O ATOM 689 CB GLU A 46 9.339 7.245 11.193 1.00 0.00 C ATOM 690 CG GLU A 46 8.235 7.159 12.234 1.00 0.00 C ATOM 691 CD GLU A 46 8.618 7.815 13.546 1.00 0.00 C ATOM 692 OE1 GLU A 46 9.689 7.472 14.090 1.00 0.00 O ATOM 693 OE2 GLU A 46 7.848 8.671 14.030 1.00 0.00 O ATOM 0 H GLU A 46 11.124 6.380 9.721 1.00 0.00 H new ATOM 0 HA GLU A 46 8.563 5.515 10.180 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.267 6.873 11.628 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.504 8.291 10.936 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.335 7.634 11.844 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.991 6.112 12.413 1.00 0.00 H new ATOM 700 N ALA A 47 8.586 8.321 8.428 1.00 0.00 N ATOM 701 CA ALA A 47 7.775 9.162 7.556 1.00 0.00 C ATOM 702 C ALA A 47 7.280 8.381 6.344 1.00 0.00 C ATOM 703 O ALA A 47 6.098 8.426 6.003 1.00 0.00 O ATOM 704 CB ALA A 47 8.570 10.382 7.111 1.00 0.00 C ATOM 0 H ALA A 47 9.555 8.625 8.526 1.00 0.00 H new ATOM 0 HA ALA A 47 6.904 9.495 8.121 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.952 11.001 6.460 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.869 10.960 7.985 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.458 10.059 6.568 1.00 0.00 H new ATOM 710 N LYS A 48 8.192 7.664 5.695 1.00 0.00 N ATOM 711 CA LYS A 48 7.849 6.871 4.521 1.00 0.00 C ATOM 712 C LYS A 48 6.567 6.078 4.755 1.00 0.00 C ATOM 713 O LYS A 48 5.604 6.198 3.998 1.00 0.00 O ATOM 714 CB LYS A 48 8.994 5.918 4.170 1.00 0.00 C ATOM 715 CG LYS A 48 10.163 6.600 3.480 1.00 0.00 C ATOM 716 CD LYS A 48 9.979 6.629 1.972 1.00 0.00 C ATOM 717 CE LYS A 48 8.954 7.673 1.555 1.00 0.00 C ATOM 718 NZ LYS A 48 9.237 8.217 0.198 1.00 0.00 N ATOM 0 H LYS A 48 9.175 7.616 5.963 1.00 0.00 H new ATOM 0 HA LYS A 48 7.686 7.555 3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.350 5.440 5.082 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.612 5.127 3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.264 7.618 3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.087 6.077 3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.934 6.843 1.492 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.661 5.646 1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.958 7.230 1.568 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.950 8.488 2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.516 8.925 -0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.177 8.663 0.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.216 7.444 -0.497 1.00 0.00 H new ATOM 732 N PHE A 49 6.562 5.268 5.809 1.00 0.00 N ATOM 733 CA PHE A 49 5.399 4.455 6.144 1.00 0.00 C ATOM 734 C PHE A 49 4.143 5.317 6.240 1.00 0.00 C ATOM 735 O PHE A 49 3.068 4.920 5.790 1.00 0.00 O ATOM 736 CB PHE A 49 5.628 3.718 7.465 1.00 0.00 C ATOM 737 CG PHE A 49 4.483 2.832 7.863 1.00 0.00 C ATOM 738 CD1 PHE A 49 3.351 3.365 8.459 1.00 0.00 C ATOM 739 CD2 PHE A 49 4.538 1.465 7.641 1.00 0.00 C ATOM 740 CE1 PHE A 49 2.295 2.552 8.826 1.00 0.00 C ATOM 741 CE2 PHE A 49 3.485 0.647 8.006 1.00 0.00 C ATOM 742 CZ PHE A 49 2.363 1.191 8.600 1.00 0.00 C ATOM 0 H PHE A 49 7.351 5.157 6.446 1.00 0.00 H new ATOM 0 HA PHE A 49 5.257 3.723 5.349 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.532 3.115 7.383 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.803 4.449 8.254 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.293 4.428 8.639 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.413 1.034 7.178 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.418 2.980 9.289 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.540 -0.417 7.827 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.540 0.553 8.887 1.00 0.00 H new ATOM 752 N ARG A 50 4.288 6.499 6.831 1.00 0.00 N ATOM 753 CA ARG A 50 3.166 7.416 6.989 1.00 0.00 C ATOM 754 C ARG A 50 2.481 7.673 5.650 1.00 0.00 C ATOM 755 O ARG A 50 1.316 8.067 5.604 1.00 0.00 O ATOM 756 CB ARG A 50 3.642 8.739 7.592 1.00 0.00 C ATOM 757 CG ARG A 50 2.517 9.593 8.153 1.00 0.00 C ATOM 758 CD ARG A 50 2.105 9.130 9.541 1.00 0.00 C ATOM 759 NE ARG A 50 1.152 10.045 10.163 1.00 0.00 N ATOM 760 CZ ARG A 50 0.579 9.821 11.341 1.00 0.00 C ATOM 761 NH1 ARG A 50 0.863 8.719 12.021 1.00 0.00 N ATOM 762 NH2 ARG A 50 -0.278 10.701 11.841 1.00 0.00 N ATOM 0 H ARG A 50 5.171 6.844 7.208 1.00 0.00 H new ATOM 0 HA ARG A 50 2.445 6.955 7.664 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.358 8.529 8.386 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.171 9.307 6.827 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.836 10.634 8.195 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.658 9.550 7.484 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.663 8.136 9.475 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.990 9.044 10.172 1.00 0.00 H new ATOM 0 HE ARG A 50 0.913 10.903 9.666 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.523 8.041 11.640 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.422 8.550 12.925 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.498 11.551 11.321 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.717 10.528 12.745 1.00 0.00 H new ATOM 776 N GLU A 51 3.212 7.446 4.564 1.00 0.00 N ATOM 777 CA GLU A 51 2.675 7.655 3.224 1.00 0.00 C ATOM 778 C GLU A 51 2.163 6.344 2.634 1.00 0.00 C ATOM 779 O GLU A 51 1.271 6.340 1.784 1.00 0.00 O ATOM 780 CB GLU A 51 3.743 8.256 2.309 1.00 0.00 C ATOM 781 CG GLU A 51 4.121 9.683 2.670 1.00 0.00 C ATOM 782 CD GLU A 51 5.266 9.751 3.661 1.00 0.00 C ATOM 783 OE1 GLU A 51 6.368 9.268 3.329 1.00 0.00 O ATOM 784 OE2 GLU A 51 5.059 10.288 4.770 1.00 0.00 O ATOM 0 H GLU A 51 4.177 7.117 4.585 1.00 0.00 H new ATOM 0 HA GLU A 51 1.840 8.351 3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.636 7.632 2.348 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.383 8.234 1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.398 10.222 1.764 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.252 10.190 3.090 1.00 0.00 H new ATOM 791 N ILE A 52 2.733 5.234 3.090 1.00 0.00 N ATOM 792 CA ILE A 52 2.334 3.917 2.608 1.00 0.00 C ATOM 793 C ILE A 52 0.999 3.493 3.208 1.00 0.00 C ATOM 794 O ILE A 52 0.124 2.987 2.507 1.00 0.00 O ATOM 795 CB ILE A 52 3.395 2.851 2.939 1.00 0.00 C ATOM 796 CG1 ILE A 52 4.798 3.390 2.652 1.00 0.00 C ATOM 797 CG2 ILE A 52 3.137 1.581 2.143 1.00 0.00 C ATOM 798 CD1 ILE A 52 5.868 2.321 2.653 1.00 0.00 C ATOM 0 H ILE A 52 3.472 5.220 3.792 1.00 0.00 H new ATOM 0 HA ILE A 52 2.234 3.994 1.525 1.00 0.00 H new ATOM 0 HB ILE A 52 3.328 2.611 4.000 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.795 3.889 1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.048 4.144 3.398 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.895 0.838 2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.151 1.189 2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.180 1.805 1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.836 2.775 2.443 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.898 1.838 3.629 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.642 1.579 1.888 1.00 0.00 H new ATOM 810 N ALA A 53 0.848 3.704 4.512 1.00 0.00 N ATOM 811 CA ALA A 53 -0.382 3.348 5.207 1.00 0.00 C ATOM 812 C ALA A 53 -1.574 4.112 4.640 1.00 0.00 C ATOM 813 O ALA A 53 -2.483 3.519 4.061 1.00 0.00 O ATOM 814 CB ALA A 53 -0.242 3.615 6.698 1.00 0.00 C ATOM 0 H ALA A 53 1.563 4.120 5.108 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.561 2.284 5.055 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.168 3.344 7.205 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.578 3.019 7.099 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.035 4.673 6.860 1.00 0.00 H new ATOM 820 N GLU A 54 -1.562 5.430 4.813 1.00 0.00 N ATOM 821 CA GLU A 54 -2.644 6.274 4.319 1.00 0.00 C ATOM 822 C GLU A 54 -3.050 5.867 2.905 1.00 0.00 C ATOM 823 O GLU A 54 -4.233 5.861 2.565 1.00 0.00 O ATOM 824 CB GLU A 54 -2.223 7.744 4.337 1.00 0.00 C ATOM 825 CG GLU A 54 -3.264 8.683 3.752 1.00 0.00 C ATOM 826 CD GLU A 54 -4.598 8.594 4.468 1.00 0.00 C ATOM 827 OE1 GLU A 54 -4.644 8.906 5.677 1.00 0.00 O ATOM 828 OE2 GLU A 54 -5.595 8.213 3.821 1.00 0.00 O ATOM 0 H GLU A 54 -0.816 5.936 5.291 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.503 6.141 4.977 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.015 8.041 5.365 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.293 7.854 3.779 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.895 9.707 3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.406 8.450 2.697 1.00 0.00 H new ATOM 835 N ALA A 55 -2.060 5.527 2.087 1.00 0.00 N ATOM 836 CA ALA A 55 -2.313 5.117 0.711 1.00 0.00 C ATOM 837 C ALA A 55 -3.086 3.804 0.662 1.00 0.00 C ATOM 838 O ALA A 55 -4.009 3.645 -0.137 1.00 0.00 O ATOM 839 CB ALA A 55 -1.002 4.988 -0.051 1.00 0.00 C ATOM 0 H ALA A 55 -1.075 5.527 2.353 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.923 5.885 0.236 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.206 4.681 -1.077 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.487 5.949 -0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.372 4.241 0.432 1.00 0.00 H new ATOM 845 N TYR A 56 -2.704 2.866 1.521 1.00 0.00 N ATOM 846 CA TYR A 56 -3.361 1.565 1.574 1.00 0.00 C ATOM 847 C TYR A 56 -4.770 1.688 2.145 1.00 0.00 C ATOM 848 O TYR A 56 -5.735 1.204 1.554 1.00 0.00 O ATOM 849 CB TYR A 56 -2.539 0.590 2.419 1.00 0.00 C ATOM 850 CG TYR A 56 -3.328 -0.608 2.899 1.00 0.00 C ATOM 851 CD1 TYR A 56 -3.649 -1.645 2.031 1.00 0.00 C ATOM 852 CD2 TYR A 56 -3.752 -0.703 4.218 1.00 0.00 C ATOM 853 CE1 TYR A 56 -4.369 -2.741 2.464 1.00 0.00 C ATOM 854 CE2 TYR A 56 -4.472 -1.796 4.660 1.00 0.00 C ATOM 855 CZ TYR A 56 -4.778 -2.813 3.780 1.00 0.00 C ATOM 856 OH TYR A 56 -5.496 -3.903 4.216 1.00 0.00 O ATOM 0 H TYR A 56 -1.943 2.982 2.190 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.434 1.182 0.556 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.688 0.243 1.833 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.137 1.120 3.283 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.330 -1.593 1.001 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.515 0.091 4.910 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.611 -3.538 1.776 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.794 -1.854 5.689 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.705 -3.798 5.168 1.00 0.00 H new ATOM 866 N GLU A 57 -4.879 2.341 3.298 1.00 0.00 N ATOM 867 CA GLU A 57 -6.170 2.529 3.949 1.00 0.00 C ATOM 868 C GLU A 57 -7.280 2.707 2.917 1.00 0.00 C ATOM 869 O GLU A 57 -8.317 2.045 2.982 1.00 0.00 O ATOM 870 CB GLU A 57 -6.126 3.743 4.880 1.00 0.00 C ATOM 871 CG GLU A 57 -5.148 3.590 6.033 1.00 0.00 C ATOM 872 CD GLU A 57 -5.426 4.558 7.166 1.00 0.00 C ATOM 873 OE1 GLU A 57 -6.436 4.367 7.876 1.00 0.00 O ATOM 874 OE2 GLU A 57 -4.634 5.507 7.343 1.00 0.00 O ATOM 0 H GLU A 57 -4.090 2.748 3.800 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.384 1.636 4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.856 4.626 4.300 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.124 3.919 5.282 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.196 2.569 6.412 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.133 3.747 5.667 1.00 0.00 H new ATOM 881 N THR A 58 -7.055 3.605 1.963 1.00 0.00 N ATOM 882 CA THR A 58 -8.035 3.872 0.918 1.00 0.00 C ATOM 883 C THR A 58 -8.207 2.664 0.004 1.00 0.00 C ATOM 884 O THR A 58 -9.328 2.225 -0.256 1.00 0.00 O ATOM 885 CB THR A 58 -7.631 5.091 0.067 1.00 0.00 C ATOM 886 OG1 THR A 58 -7.518 6.252 0.898 1.00 0.00 O ATOM 887 CG2 THR A 58 -8.650 5.346 -1.033 1.00 0.00 C ATOM 0 H THR A 58 -6.202 4.160 1.893 1.00 0.00 H new ATOM 0 HA THR A 58 -8.980 4.084 1.418 1.00 0.00 H new ATOM 0 HB THR A 58 -6.667 4.880 -0.396 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.801 6.828 0.560 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.343 6.211 -1.620 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.713 4.472 -1.681 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.626 5.538 -0.587 1.00 0.00 H new ATOM 895 N LEU A 59 -7.091 2.130 -0.480 1.00 0.00 N ATOM 896 CA LEU A 59 -7.118 0.971 -1.365 1.00 0.00 C ATOM 897 C LEU A 59 -7.233 -0.322 -0.564 1.00 0.00 C ATOM 898 O LEU A 59 -7.001 -1.412 -1.089 1.00 0.00 O ATOM 899 CB LEU A 59 -5.859 0.937 -2.232 1.00 0.00 C ATOM 900 CG LEU A 59 -5.480 2.251 -2.917 1.00 0.00 C ATOM 901 CD1 LEU A 59 -4.106 2.141 -3.559 1.00 0.00 C ATOM 902 CD2 LEU A 59 -6.526 2.632 -3.955 1.00 0.00 C ATOM 0 H LEU A 59 -6.156 2.481 -0.274 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.993 1.057 -2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.022 0.620 -1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.991 0.175 -3.000 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.444 3.035 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.853 3.085 -4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.364 1.915 -2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.115 1.344 -4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.240 3.569 -4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.594 1.847 -4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.494 2.753 -3.469 1.00 0.00 H new ATOM 914 N SER A 60 -7.594 -0.195 0.709 1.00 0.00 N ATOM 915 CA SER A 60 -7.739 -1.353 1.582 1.00 0.00 C ATOM 916 C SER A 60 -9.186 -1.835 1.610 1.00 0.00 C ATOM 917 O SER A 60 -9.466 -3.008 1.362 1.00 0.00 O ATOM 918 CB SER A 60 -7.277 -1.010 3.000 1.00 0.00 C ATOM 919 OG SER A 60 -7.716 -1.985 3.929 1.00 0.00 O ATOM 0 H SER A 60 -7.791 0.699 1.159 1.00 0.00 H new ATOM 0 HA SER A 60 -7.115 -2.155 1.187 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.189 -0.943 3.025 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.663 -0.031 3.285 1.00 0.00 H new ATOM 0 HG SER A 60 -6.994 -2.626 4.097 1.00 0.00 H new ATOM 925 N ASP A 61 -10.102 -0.922 1.914 1.00 0.00 N ATOM 926 CA ASP A 61 -11.521 -1.253 1.974 1.00 0.00 C ATOM 927 C ASP A 61 -12.125 -1.308 0.574 1.00 0.00 C ATOM 928 O ASP A 61 -11.445 -1.047 -0.417 1.00 0.00 O ATOM 929 CB ASP A 61 -12.270 -0.226 2.826 1.00 0.00 C ATOM 930 CG ASP A 61 -13.478 -0.822 3.521 1.00 0.00 C ATOM 931 OD1 ASP A 61 -13.309 -1.821 4.252 1.00 0.00 O ATOM 932 OD2 ASP A 61 -14.592 -0.290 3.336 1.00 0.00 O ATOM 0 H ASP A 61 -9.887 0.053 2.123 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.621 -2.237 2.433 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.592 0.187 3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.590 0.602 2.194 1.00 0.00 H new ATOM 937 N ALA A 62 -13.407 -1.653 0.502 1.00 0.00 N ATOM 938 CA ALA A 62 -14.103 -1.742 -0.776 1.00 0.00 C ATOM 939 C ALA A 62 -14.565 -0.367 -1.247 1.00 0.00 C ATOM 940 O ALA A 62 -14.072 0.155 -2.245 1.00 0.00 O ATOM 941 CB ALA A 62 -15.287 -2.691 -0.666 1.00 0.00 C ATOM 0 H ALA A 62 -13.984 -1.875 1.313 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.405 -2.134 -1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.798 -2.748 -1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.933 -3.683 -0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.979 -2.323 0.091 1.00 0.00 H new ATOM 947 N ASN A 63 -15.515 0.213 -0.521 1.00 0.00 N ATOM 948 CA ASN A 63 -16.045 1.527 -0.865 1.00 0.00 C ATOM 949 C ASN A 63 -14.920 2.548 -1.005 1.00 0.00 C ATOM 950 O ASN A 63 -14.856 3.286 -1.988 1.00 0.00 O ATOM 951 CB ASN A 63 -17.043 1.992 0.198 1.00 0.00 C ATOM 952 CG ASN A 63 -17.934 0.867 0.687 1.00 0.00 C ATOM 953 OD1 ASN A 63 -17.933 0.530 1.871 1.00 0.00 O ATOM 954 ND2 ASN A 63 -18.700 0.280 -0.225 1.00 0.00 N ATOM 0 H ASN A 63 -15.934 -0.206 0.309 1.00 0.00 H new ATOM 0 HA ASN A 63 -16.558 1.445 -1.823 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.499 2.414 1.043 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -17.662 2.789 -0.213 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -19.320 -0.483 0.045 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -18.668 0.592 -1.195 1.00 0.00 H new ATOM 961 N ARG A 64 -14.034 2.583 -0.015 1.00 0.00 N ATOM 962 CA ARG A 64 -12.912 3.513 -0.026 1.00 0.00 C ATOM 963 C ARG A 64 -12.146 3.424 -1.343 1.00 0.00 C ATOM 964 O ARG A 64 -11.904 4.436 -2.002 1.00 0.00 O ATOM 965 CB ARG A 64 -11.971 3.224 1.145 1.00 0.00 C ATOM 966 CG ARG A 64 -12.507 3.694 2.487 1.00 0.00 C ATOM 967 CD ARG A 64 -11.438 3.628 3.567 1.00 0.00 C ATOM 968 NE ARG A 64 -11.954 4.032 4.873 1.00 0.00 N ATOM 969 CZ ARG A 64 -12.193 5.294 5.210 1.00 0.00 C ATOM 970 NH1 ARG A 64 -11.963 6.271 4.343 1.00 0.00 N ATOM 971 NH2 ARG A 64 -12.662 5.582 6.418 1.00 0.00 N ATOM 0 H ARG A 64 -14.072 1.978 0.805 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.308 4.523 0.077 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.784 2.151 1.194 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -11.012 3.707 0.957 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -12.872 4.717 2.396 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.357 3.077 2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.048 2.612 3.630 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.604 4.273 3.291 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.141 3.305 5.564 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.601 6.054 3.414 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.148 7.239 4.605 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.839 4.834 7.088 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.845 6.552 6.676 1.00 0.00 H new ATOM 985 N ARG A 65 -11.766 2.207 -1.719 1.00 0.00 N ATOM 986 CA ARG A 65 -11.025 1.987 -2.956 1.00 0.00 C ATOM 987 C ARG A 65 -11.920 2.210 -4.172 1.00 0.00 C ATOM 988 O ARG A 65 -11.442 2.557 -5.252 1.00 0.00 O ATOM 989 CB ARG A 65 -10.451 0.569 -2.985 1.00 0.00 C ATOM 990 CG ARG A 65 -9.541 0.305 -4.173 1.00 0.00 C ATOM 991 CD ARG A 65 -10.320 -0.227 -5.365 1.00 0.00 C ATOM 992 NE ARG A 65 -9.539 -0.175 -6.598 1.00 0.00 N ATOM 993 CZ ARG A 65 -10.062 -0.342 -7.807 1.00 0.00 C ATOM 994 NH1 ARG A 65 -11.361 -0.569 -7.946 1.00 0.00 N ATOM 995 NH2 ARG A 65 -9.286 -0.280 -8.882 1.00 0.00 N ATOM 0 H ARG A 65 -11.959 1.359 -1.186 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.205 2.705 -2.993 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.894 0.393 -2.065 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.273 -0.146 -3.002 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.030 1.226 -4.453 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.771 -0.413 -3.890 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.622 -1.256 -5.170 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.233 0.355 -5.490 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.537 -0.001 -6.526 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.962 -0.616 -7.123 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.760 -0.697 -8.876 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.287 -0.104 -8.780 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.689 -0.409 -9.810 1.00 0.00 H new ATOM 1009 N LYS A 66 -13.220 2.008 -3.989 1.00 0.00 N ATOM 1010 CA LYS A 66 -14.182 2.188 -5.069 1.00 0.00 C ATOM 1011 C LYS A 66 -14.349 3.665 -5.410 1.00 0.00 C ATOM 1012 O LYS A 66 -14.484 4.030 -6.577 1.00 0.00 O ATOM 1013 CB LYS A 66 -15.535 1.587 -4.680 1.00 0.00 C ATOM 1014 CG LYS A 66 -16.592 1.716 -5.763 1.00 0.00 C ATOM 1015 CD LYS A 66 -17.994 1.708 -5.178 1.00 0.00 C ATOM 1016 CE LYS A 66 -19.006 1.144 -6.164 1.00 0.00 C ATOM 1017 NZ LYS A 66 -19.083 1.959 -7.407 1.00 0.00 N ATOM 0 H LYS A 66 -13.632 1.719 -3.102 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.801 1.671 -5.950 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -15.399 0.532 -4.440 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.893 2.076 -3.774 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.434 2.640 -6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.488 0.896 -6.473 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.005 1.114 -4.264 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.280 2.723 -4.902 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.734 0.120 -6.418 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.989 1.105 -5.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.853 1.603 -8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.268 2.952 -7.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -18.182 1.892 -7.922 1.00 0.00 H new ATOM 1031 N GLU A 67 -14.337 4.510 -4.383 1.00 0.00 N ATOM 1032 CA GLU A 67 -14.486 5.947 -4.575 1.00 0.00 C ATOM 1033 C GLU A 67 -13.187 6.566 -5.082 1.00 0.00 C ATOM 1034 O GLU A 67 -13.202 7.479 -5.908 1.00 0.00 O ATOM 1035 CB GLU A 67 -14.906 6.618 -3.266 1.00 0.00 C ATOM 1036 CG GLU A 67 -16.178 6.042 -2.667 1.00 0.00 C ATOM 1037 CD GLU A 67 -16.967 7.066 -1.874 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -16.808 8.275 -2.146 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -17.741 6.660 -0.983 1.00 0.00 O ATOM 0 H GLU A 67 -14.226 4.224 -3.410 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.262 6.109 -5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.097 6.521 -2.542 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.048 7.684 -3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.804 5.646 -3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.922 5.204 -2.018 1.00 0.00 H new ATOM 1046 N TYR A 68 -12.064 6.062 -4.582 1.00 0.00 N ATOM 1047 CA TYR A 68 -10.755 6.567 -4.981 1.00 0.00 C ATOM 1048 C TYR A 68 -10.516 6.342 -6.471 1.00 0.00 C ATOM 1049 O TYR A 68 -9.675 7.000 -7.083 1.00 0.00 O ATOM 1050 CB TYR A 68 -9.653 5.887 -4.168 1.00 0.00 C ATOM 1051 CG TYR A 68 -8.271 6.432 -4.446 1.00 0.00 C ATOM 1052 CD1 TYR A 68 -7.847 7.627 -3.879 1.00 0.00 C ATOM 1053 CD2 TYR A 68 -7.389 5.752 -5.277 1.00 0.00 C ATOM 1054 CE1 TYR A 68 -6.585 8.130 -4.131 1.00 0.00 C ATOM 1055 CE2 TYR A 68 -6.125 6.246 -5.534 1.00 0.00 C ATOM 1056 CZ TYR A 68 -5.727 7.435 -4.959 1.00 0.00 C ATOM 1057 OH TYR A 68 -4.469 7.932 -5.213 1.00 0.00 O ATOM 0 H TYR A 68 -12.034 5.304 -3.900 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.732 7.639 -4.785 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.873 6.002 -3.107 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.663 4.818 -4.382 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.516 8.173 -3.230 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -7.697 4.821 -5.730 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.272 9.061 -3.683 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.452 5.704 -6.182 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.172 7.634 -6.098 1.00 0.00 H new ATOM 1067 N ASP A 69 -11.263 5.407 -7.049 1.00 0.00 N ATOM 1068 CA ASP A 69 -11.134 5.094 -8.467 1.00 0.00 C ATOM 1069 C ASP A 69 -12.171 5.855 -9.287 1.00 0.00 C ATOM 1070 O ASP A 69 -11.909 6.260 -10.420 1.00 0.00 O ATOM 1071 CB ASP A 69 -11.289 3.590 -8.696 1.00 0.00 C ATOM 1072 CG ASP A 69 -10.528 3.108 -9.915 1.00 0.00 C ATOM 1073 OD1 ASP A 69 -9.304 3.346 -9.983 1.00 0.00 O ATOM 1074 OD2 ASP A 69 -11.156 2.492 -10.801 1.00 0.00 O ATOM 0 H ASP A 69 -11.964 4.853 -6.557 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.141 5.402 -8.793 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.936 3.053 -7.815 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.346 3.350 -8.813 1.00 0.00 H new ATOM 1079 N THR A 70 -13.353 6.046 -8.708 1.00 0.00 N ATOM 1080 CA THR A 70 -14.430 6.756 -9.385 1.00 0.00 C ATOM 1081 C THR A 70 -14.272 8.265 -9.239 1.00 0.00 C ATOM 1082 O THR A 70 -14.818 9.036 -10.029 1.00 0.00 O ATOM 1083 CB THR A 70 -15.809 6.340 -8.836 1.00 0.00 C ATOM 1084 OG1 THR A 70 -16.831 6.664 -9.785 1.00 0.00 O ATOM 1085 CG2 THR A 70 -16.097 7.036 -7.514 1.00 0.00 C ATOM 0 H THR A 70 -13.588 5.718 -7.771 1.00 0.00 H new ATOM 0 HA THR A 70 -14.371 6.488 -10.440 1.00 0.00 H new ATOM 0 HB THR A 70 -15.799 5.263 -8.667 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.704 6.395 -9.430 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.075 6.727 -7.146 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.333 6.764 -6.786 1.00 0.00 H new ATOM 0 HG23 THR A 70 -16.089 8.116 -7.662 1.00 0.00 H new ATOM 1093 N LEU A 71 -13.521 8.680 -8.225 1.00 0.00 N ATOM 1094 CA LEU A 71 -13.289 10.099 -7.975 1.00 0.00 C ATOM 1095 C LEU A 71 -11.852 10.483 -8.311 1.00 0.00 C ATOM 1096 O LEU A 71 -11.607 11.482 -8.986 1.00 0.00 O ATOM 1097 CB LEU A 71 -13.592 10.436 -6.514 1.00 0.00 C ATOM 1098 CG LEU A 71 -15.005 10.112 -6.029 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -15.064 10.125 -4.510 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -16.008 11.097 -6.613 1.00 0.00 C ATOM 0 H LEU A 71 -13.062 8.055 -7.563 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.958 10.670 -8.619 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.882 9.901 -5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.413 11.501 -6.363 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.266 9.111 -6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.077 9.892 -4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -14.375 9.380 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.782 11.112 -4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -17.009 10.851 -6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -15.749 12.108 -6.299 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -15.985 11.037 -7.701 1.00 0.00 H new ATOM 1112 N GLY A 72 -10.904 9.681 -7.836 1.00 0.00 N ATOM 1113 CA GLY A 72 -9.503 9.953 -8.098 1.00 0.00 C ATOM 1114 C GLY A 72 -8.730 10.279 -6.835 1.00 0.00 C ATOM 1115 O GLY A 72 -8.956 9.675 -5.786 1.00 0.00 O ATOM 0 H GLY A 72 -11.081 8.848 -7.275 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.052 9.087 -8.583 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.422 10.787 -8.795 1.00 0.00 H new ATOM 1119 N HIS A 73 -7.813 11.236 -6.935 1.00 0.00 N ATOM 1120 CA HIS A 73 -7.003 11.641 -5.792 1.00 0.00 C ATOM 1121 C HIS A 73 -7.145 13.137 -5.528 1.00 0.00 C ATOM 1122 O HIS A 73 -6.864 13.612 -4.427 1.00 0.00 O ATOM 1123 CB HIS A 73 -5.534 11.291 -6.031 1.00 0.00 C ATOM 1124 CG HIS A 73 -4.614 11.806 -4.968 1.00 0.00 C ATOM 1125 ND1 HIS A 73 -4.315 11.098 -3.823 1.00 0.00 N ATOM 1126 CD2 HIS A 73 -3.924 12.967 -4.881 1.00 0.00 C ATOM 1127 CE1 HIS A 73 -3.483 11.802 -3.077 1.00 0.00 C ATOM 1128 NE2 HIS A 73 -3.229 12.941 -3.697 1.00 0.00 N ATOM 0 H HIS A 73 -7.612 11.745 -7.796 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.360 11.100 -4.916 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.433 10.207 -6.093 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.225 11.696 -6.995 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.921 13.766 -5.608 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.079 11.498 -2.123 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.617 13.680 -3.352 1.00 0.00 H new ATOM 1136 N SER A 74 -7.581 13.874 -6.544 1.00 0.00 N ATOM 1137 CA SER A 74 -7.756 15.316 -6.423 1.00 0.00 C ATOM 1138 C SER A 74 -9.119 15.650 -5.825 1.00 0.00 C ATOM 1139 O SER A 74 -9.303 16.708 -5.223 1.00 0.00 O ATOM 1140 CB SER A 74 -7.609 15.986 -7.791 1.00 0.00 C ATOM 1141 OG SER A 74 -8.778 15.812 -8.573 1.00 0.00 O ATOM 0 H SER A 74 -7.820 13.496 -7.461 1.00 0.00 H new ATOM 0 HA SER A 74 -6.983 15.696 -5.755 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.411 17.050 -7.659 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.751 15.565 -8.315 1.00 0.00 H new ATOM 0 HG SER A 74 -8.659 16.251 -9.441 1.00 0.00 H new ATOM 1147 N ALA A 75 -10.072 14.740 -5.996 1.00 0.00 N ATOM 1148 CA ALA A 75 -11.418 14.935 -5.472 1.00 0.00 C ATOM 1149 C ALA A 75 -11.641 14.109 -4.210 1.00 0.00 C ATOM 1150 O ALA A 75 -11.915 14.653 -3.140 1.00 0.00 O ATOM 1151 CB ALA A 75 -12.453 14.579 -6.529 1.00 0.00 C ATOM 0 H ALA A 75 -9.937 13.860 -6.494 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.530 15.987 -5.210 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -13.454 14.729 -6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.316 15.217 -7.402 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -12.332 13.535 -6.819 1.00 0.00 H new ATOM 1157 N PHE A 76 -11.524 12.792 -4.343 1.00 0.00 N ATOM 1158 CA PHE A 76 -11.715 11.890 -3.213 1.00 0.00 C ATOM 1159 C PHE A 76 -11.081 12.461 -1.947 1.00 0.00 C ATOM 1160 O PHE A 76 -11.759 12.674 -0.941 1.00 0.00 O ATOM 1161 CB PHE A 76 -11.114 10.517 -3.522 1.00 0.00 C ATOM 1162 CG PHE A 76 -11.067 9.602 -2.332 1.00 0.00 C ATOM 1163 CD1 PHE A 76 -10.056 9.717 -1.392 1.00 0.00 C ATOM 1164 CD2 PHE A 76 -12.033 8.625 -2.154 1.00 0.00 C ATOM 1165 CE1 PHE A 76 -10.009 8.877 -0.295 1.00 0.00 C ATOM 1166 CE2 PHE A 76 -11.993 7.782 -1.059 1.00 0.00 C ATOM 1167 CZ PHE A 76 -10.979 7.907 -0.130 1.00 0.00 C ATOM 0 H PHE A 76 -11.298 12.326 -5.222 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.786 11.781 -3.045 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.697 10.043 -4.312 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.103 10.650 -3.908 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.295 10.473 -1.518 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.827 8.521 -2.879 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -9.216 8.979 0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.754 7.027 -0.930 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.944 7.247 0.724 1.00 0.00 H new