USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 614 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 61 CYS SG : rot -146:sc= -0.748! USER MOD Set 1.2: A 63 HIS : no HD1:sc= -0.457 K(o=-1.7,f=-4.2!) USER MOD Set 1.3: A 85 CYS SG : rot 169:sc= -1.35 USER MOD Set 1.4: A 87 SER OG : rot -170:sc= 0.00345 USER MOD Set 1.5: A 88 CYS SG : rot -113:sc= 2.08 USER MOD Set 1.6: A 90 THR OG1 : rot 93:sc= 1.01 USER MOD Set 1.7: A 92 TYR OH : rot -6:sc= -2.22! USER MOD Set 2.1: A 28 CYS SG : rot 130:sc= 0.583 USER MOD Set 2.2: A 31 CYS SG : rot -53:sc= -0.0571 USER MOD Set 2.3: A 39 SER OG : rot 81:sc= 1.13 USER MOD Set 2.4: A 66 HIS : no HE2:sc= -4.68! C(o=-3.1!,f=-8.1!) USER MOD Set 2.5: A 69 CYS SG : rot -74:sc= -0.0414 USER MOD Single : A 11 GLN : amide:sc= -2.9 K(o=-2.9,f=-10!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -58:sc= -1.63 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -140:sc= 0 (180deg=-0.0116) USER MOD Single : A 34 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00262) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -100:sc= 0.242 USER MOD Single : A 44 MET CE :methyl -148:sc= -0.398 (180deg=-3.13!) USER MOD Single : A 45 THR OG1 : rot -29:sc= 0.435 USER MOD Single : A 47 SER OG : rot 130:sc= -0.124 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -123:sc= -0.615 (180deg=-0.98) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -13:sc= 0.681 USER MOD Single : A 73 MET CE :methyl 164:sc= -2.55 (180deg=-2.58) USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 75 CYS SG : rot -31:sc= -0.215 USER MOD Single : A 82 SER OG : rot 30:sc= 0.204 USER MOD Single : A 84 GLN : amide:sc= -0.79 K(o=-0.79,f=-1.6!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -2.865 8.201 -0.417 1.00 0.00 N ATOM 67 CA GLU A 8 -1.931 7.616 -1.372 1.00 0.00 C ATOM 68 C GLU A 8 -2.265 6.150 -1.632 1.00 0.00 C ATOM 69 O GLU A 8 -2.891 5.475 -0.814 1.00 0.00 O ATOM 70 CB GLU A 8 -0.496 7.739 -0.856 1.00 0.00 C ATOM 71 CG GLU A 8 0.091 9.132 -1.014 1.00 0.00 C ATOM 72 CD GLU A 8 1.551 9.200 -0.611 1.00 0.00 C ATOM 73 OE1 GLU A 8 2.402 8.707 -1.380 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.842 9.746 0.473 1.00 0.00 O ATOM 0 HA GLU A 8 -2.021 8.163 -2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.473 7.462 0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.134 7.026 -1.387 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.010 9.449 -2.052 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.482 9.834 -0.409 1.00 0.00 H new ATOM 81 N PRO A 9 -1.840 5.645 -2.800 1.00 0.00 N ATOM 82 CA PRO A 9 -2.083 4.255 -3.196 1.00 0.00 C ATOM 83 C PRO A 9 -1.276 3.265 -2.361 1.00 0.00 C ATOM 84 O PRO A 9 -1.409 2.052 -2.521 1.00 0.00 O ATOM 85 CB PRO A 9 -1.628 4.218 -4.657 1.00 0.00 C ATOM 86 CG PRO A 9 -0.631 5.319 -4.771 1.00 0.00 C ATOM 87 CD PRO A 9 -1.089 6.392 -3.823 1.00 0.00 C ATOM 0 HA PRO A 9 -3.124 3.966 -3.052 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.185 3.255 -4.909 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.466 4.371 -5.337 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.368 4.969 -4.511 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.581 5.696 -5.792 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.247 6.931 -3.389 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.716 7.130 -4.324 1.00 0.00 H new ATOM 95 N GLU A 10 -0.441 3.792 -1.472 1.00 0.00 N ATOM 96 CA GLU A 10 0.387 2.953 -0.613 1.00 0.00 C ATOM 97 C GLU A 10 -0.417 2.428 0.574 1.00 0.00 C ATOM 98 O GLU A 10 -0.235 1.289 1.003 1.00 0.00 O ATOM 99 CB GLU A 10 1.602 3.738 -0.113 1.00 0.00 C ATOM 100 CG GLU A 10 2.735 2.856 0.382 1.00 0.00 C ATOM 101 CD GLU A 10 2.628 2.545 1.863 1.00 0.00 C ATOM 102 OE1 GLU A 10 1.490 2.463 2.370 1.00 0.00 O ATOM 103 OE2 GLU A 10 3.682 2.384 2.513 1.00 0.00 O ATOM 0 H GLU A 10 -0.320 4.794 -1.327 1.00 0.00 H new ATOM 0 HA GLU A 10 0.730 2.102 -1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.972 4.371 -0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.289 4.400 0.694 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.737 1.923 -0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.687 3.350 0.186 1.00 0.00 H new ATOM 110 N GLN A 11 -1.304 3.268 1.097 1.00 0.00 N ATOM 111 CA GLN A 11 -2.134 2.889 2.234 1.00 0.00 C ATOM 112 C GLN A 11 -3.200 1.880 1.819 1.00 0.00 C ATOM 113 O GLN A 11 -3.246 0.763 2.333 1.00 0.00 O ATOM 114 CB GLN A 11 -2.797 4.126 2.843 1.00 0.00 C ATOM 115 CG GLN A 11 -1.805 5.131 3.409 1.00 0.00 C ATOM 116 CD GLN A 11 -1.302 6.106 2.363 1.00 0.00 C ATOM 117 OE1 GLN A 11 -0.363 5.811 1.623 1.00 0.00 O ATOM 118 NE2 GLN A 11 -1.926 7.276 2.295 1.00 0.00 N ATOM 0 H GLN A 11 -1.466 4.214 0.752 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.491 2.424 2.981 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.403 4.616 2.081 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.475 3.811 3.636 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.278 5.685 4.220 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.958 4.597 3.840 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.700 7.479 2.928 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.632 7.972 1.610 1.00 0.00 H new ATOM 127 N VAL A 12 -4.056 2.282 0.884 1.00 0.00 N ATOM 128 CA VAL A 12 -5.121 1.413 0.399 1.00 0.00 C ATOM 129 C VAL A 12 -4.655 -0.036 0.319 1.00 0.00 C ATOM 130 O VAL A 12 -5.413 -0.960 0.613 1.00 0.00 O ATOM 131 CB VAL A 12 -5.619 1.858 -0.989 1.00 0.00 C ATOM 132 CG1 VAL A 12 -4.492 1.793 -2.008 1.00 0.00 C ATOM 133 CG2 VAL A 12 -6.798 1.003 -1.431 1.00 0.00 C ATOM 0 H VAL A 12 -4.032 3.204 0.448 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.941 1.488 1.113 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.955 2.893 -0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.863 2.111 -2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.681 2.451 -1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.122 0.770 -2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.137 1.331 -2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.491 -0.041 -1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.612 1.106 -0.713 1.00 0.00 H new ATOM 143 N ILE A 13 -3.402 -0.227 -0.080 1.00 0.00 N ATOM 144 CA ILE A 13 -2.833 -1.564 -0.197 1.00 0.00 C ATOM 145 C ILE A 13 -2.691 -2.222 1.171 1.00 0.00 C ATOM 146 O ILE A 13 -3.378 -3.197 1.477 1.00 0.00 O ATOM 147 CB ILE A 13 -1.456 -1.532 -0.885 1.00 0.00 C ATOM 148 CG1 ILE A 13 -1.603 -1.116 -2.350 1.00 0.00 C ATOM 149 CG2 ILE A 13 -0.779 -2.891 -0.780 1.00 0.00 C ATOM 150 CD1 ILE A 13 -2.359 -2.121 -3.191 1.00 0.00 C ATOM 0 H ILE A 13 -2.762 0.527 -0.328 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.521 -2.148 -0.809 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.831 -0.796 -0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.117 -0.156 -2.397 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.612 -0.968 -2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.193 -2.852 -1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.645 -3.151 0.270 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.400 -3.645 -1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.425 -1.760 -4.217 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.835 -3.077 -3.175 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.363 -2.251 -2.787 1.00 0.00 H new ATOM 162 N ARG A 14 -1.795 -1.683 1.990 1.00 0.00 N ATOM 163 CA ARG A 14 -1.562 -2.217 3.327 1.00 0.00 C ATOM 164 C ARG A 14 -2.881 -2.426 4.066 1.00 0.00 C ATOM 165 O ARG A 14 -3.056 -3.414 4.779 1.00 0.00 O ATOM 166 CB ARG A 14 -0.661 -1.274 4.126 1.00 0.00 C ATOM 167 CG ARG A 14 0.805 -1.355 3.734 1.00 0.00 C ATOM 168 CD ARG A 14 1.534 -2.436 4.518 1.00 0.00 C ATOM 169 NE ARG A 14 2.942 -2.108 4.723 1.00 0.00 N ATOM 170 CZ ARG A 14 3.837 -2.070 3.742 1.00 0.00 C ATOM 171 NH1 ARG A 14 3.473 -2.336 2.496 1.00 0.00 N ATOM 172 NH2 ARG A 14 5.101 -1.764 4.008 1.00 0.00 N ATOM 0 H ARG A 14 -1.218 -0.876 1.752 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.066 -3.182 3.225 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.009 -0.250 3.989 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.758 -1.505 5.187 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.886 -1.561 2.667 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.283 -0.392 3.910 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.049 -2.572 5.485 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.456 -3.384 3.986 1.00 0.00 H new ATOM 0 HE ARG A 14 3.255 -1.897 5.670 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.503 -2.571 2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.163 -2.306 1.746 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.385 -1.558 4.966 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.788 -1.735 3.255 1.00 0.00 H new ATOM 186 N LYS A 15 -3.806 -1.488 3.891 1.00 0.00 N ATOM 187 CA LYS A 15 -5.109 -1.568 4.540 1.00 0.00 C ATOM 188 C LYS A 15 -5.781 -2.907 4.248 1.00 0.00 C ATOM 189 O LYS A 15 -6.518 -3.436 5.080 1.00 0.00 O ATOM 190 CB LYS A 15 -6.007 -0.422 4.070 1.00 0.00 C ATOM 191 CG LYS A 15 -7.438 -0.527 4.567 1.00 0.00 C ATOM 192 CD LYS A 15 -8.183 0.787 4.405 1.00 0.00 C ATOM 193 CE LYS A 15 -9.350 0.890 5.376 1.00 0.00 C ATOM 194 NZ LYS A 15 -10.256 2.022 5.036 1.00 0.00 N ATOM 0 H LYS A 15 -3.677 -0.663 3.305 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.957 -1.484 5.616 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.582 0.523 4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.011 -0.398 2.980 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.958 -1.311 4.017 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.439 -0.820 5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.497 1.618 4.570 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.550 0.875 3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.914 -0.042 5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.969 1.021 6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.038 2.058 5.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.724 2.915 5.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.640 1.884 4.079 1.00 0.00 H new ATOM 208 N TYR A 16 -5.519 -3.448 3.064 1.00 0.00 N ATOM 209 CA TYR A 16 -6.100 -4.725 2.663 1.00 0.00 C ATOM 210 C TYR A 16 -5.071 -5.847 2.765 1.00 0.00 C ATOM 211 O TYR A 16 -5.424 -7.023 2.859 1.00 0.00 O ATOM 212 CB TYR A 16 -6.636 -4.638 1.233 1.00 0.00 C ATOM 213 CG TYR A 16 -7.651 -3.534 1.033 1.00 0.00 C ATOM 214 CD1 TYR A 16 -8.712 -3.371 1.914 1.00 0.00 C ATOM 215 CD2 TYR A 16 -7.547 -2.654 -0.037 1.00 0.00 C ATOM 216 CE1 TYR A 16 -9.642 -2.365 1.735 1.00 0.00 C ATOM 217 CE2 TYR A 16 -8.471 -1.644 -0.224 1.00 0.00 C ATOM 218 CZ TYR A 16 -9.516 -1.504 0.664 1.00 0.00 C ATOM 219 OH TYR A 16 -10.439 -0.500 0.483 1.00 0.00 O ATOM 0 H TYR A 16 -4.909 -3.024 2.365 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.924 -4.950 3.340 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.801 -4.481 0.550 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.091 -5.592 0.966 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.812 -4.042 2.754 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.730 -2.761 -0.735 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.462 -2.253 2.429 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.375 -0.968 -1.061 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.206 0.018 -0.316 1.00 0.00 H new ATOM 229 N THR A 17 -3.795 -5.474 2.746 1.00 0.00 N ATOM 230 CA THR A 17 -2.713 -6.447 2.835 1.00 0.00 C ATOM 231 C THR A 17 -1.874 -6.222 4.088 1.00 0.00 C ATOM 232 O THR A 17 -1.427 -5.107 4.354 1.00 0.00 O ATOM 233 CB THR A 17 -1.798 -6.385 1.599 1.00 0.00 C ATOM 234 OG1 THR A 17 -1.284 -5.058 1.436 1.00 0.00 O ATOM 235 CG2 THR A 17 -2.553 -6.799 0.345 1.00 0.00 C ATOM 0 H THR A 17 -3.486 -4.505 2.670 1.00 0.00 H new ATOM 0 HA THR A 17 -3.177 -7.432 2.884 1.00 0.00 H new ATOM 0 HB THR A 17 -0.971 -7.079 1.752 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.029 -4.426 1.354 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.886 -6.747 -0.515 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.918 -7.820 0.460 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.397 -6.127 0.190 1.00 0.00 H new ATOM 243 N GLU A 18 -1.662 -7.289 4.853 1.00 0.00 N ATOM 244 CA GLU A 18 -0.875 -7.206 6.077 1.00 0.00 C ATOM 245 C GLU A 18 0.523 -7.778 5.865 1.00 0.00 C ATOM 246 O GLU A 18 0.679 -8.905 5.397 1.00 0.00 O ATOM 247 CB GLU A 18 -1.577 -7.954 7.213 1.00 0.00 C ATOM 248 CG GLU A 18 -1.312 -7.362 8.587 1.00 0.00 C ATOM 249 CD GLU A 18 -2.040 -6.050 8.807 1.00 0.00 C ATOM 250 OE1 GLU A 18 -2.195 -5.285 7.832 1.00 0.00 O ATOM 251 OE2 GLU A 18 -2.455 -5.788 9.956 1.00 0.00 O ATOM 0 H GLU A 18 -2.024 -8.220 4.646 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.781 -6.154 6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.651 -7.954 7.028 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.253 -8.995 7.206 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.619 -8.076 9.351 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.241 -7.204 8.710 1.00 0.00 H new ATOM 258 N GLU A 19 1.537 -6.991 6.212 1.00 0.00 N ATOM 259 CA GLU A 19 2.923 -7.419 6.059 1.00 0.00 C ATOM 260 C GLU A 19 3.261 -8.533 7.045 1.00 0.00 C ATOM 261 O GLU A 19 3.129 -8.365 8.258 1.00 0.00 O ATOM 262 CB GLU A 19 3.871 -6.236 6.264 1.00 0.00 C ATOM 263 CG GLU A 19 5.335 -6.586 6.058 1.00 0.00 C ATOM 264 CD GLU A 19 6.267 -5.689 6.850 1.00 0.00 C ATOM 265 OE1 GLU A 19 5.938 -5.373 8.012 1.00 0.00 O ATOM 266 OE2 GLU A 19 7.323 -5.303 6.307 1.00 0.00 O ATOM 0 H GLU A 19 1.425 -6.055 6.601 1.00 0.00 H new ATOM 0 HA GLU A 19 3.048 -7.804 5.047 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.597 -5.438 5.574 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.738 -5.845 7.273 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.501 -7.623 6.349 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.577 -6.510 4.998 1.00 0.00 H new ATOM 273 N LEU A 20 3.696 -9.671 6.516 1.00 0.00 N ATOM 274 CA LEU A 20 4.053 -10.815 7.349 1.00 0.00 C ATOM 275 C LEU A 20 5.541 -10.798 7.688 1.00 0.00 C ATOM 276 O LEU A 20 6.381 -10.528 6.830 1.00 0.00 O ATOM 277 CB LEU A 20 3.695 -12.120 6.637 1.00 0.00 C ATOM 278 CG LEU A 20 2.291 -12.194 6.036 1.00 0.00 C ATOM 279 CD1 LEU A 20 2.112 -13.486 5.255 1.00 0.00 C ATOM 280 CD2 LEU A 20 1.237 -12.078 7.128 1.00 0.00 C ATOM 0 H LEU A 20 3.810 -9.827 5.514 1.00 0.00 H new ATOM 0 HA LEU A 20 3.487 -10.748 8.278 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.419 -12.286 5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.809 -12.940 7.346 1.00 0.00 H new ATOM 0 HG LEU A 20 2.166 -11.358 5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.107 -13.521 4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.844 -13.528 4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.256 -14.337 5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.244 -12.133 6.682 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.360 -12.893 7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.351 -11.125 7.644 1.00 0.00 H new ATOM 292 N LYS A 21 5.859 -11.091 8.944 1.00 0.00 N ATOM 293 CA LYS A 21 7.245 -11.114 9.397 1.00 0.00 C ATOM 294 C LYS A 21 8.155 -11.720 8.334 1.00 0.00 C ATOM 295 O LYS A 21 9.302 -11.303 8.174 1.00 0.00 O ATOM 296 CB LYS A 21 7.364 -11.909 10.700 1.00 0.00 C ATOM 297 CG LYS A 21 7.225 -13.410 10.511 1.00 0.00 C ATOM 298 CD LYS A 21 5.770 -13.819 10.348 1.00 0.00 C ATOM 299 CE LYS A 21 5.645 -15.268 9.904 1.00 0.00 C ATOM 300 NZ LYS A 21 5.816 -16.213 11.042 1.00 0.00 N ATOM 0 H LYS A 21 5.176 -11.316 9.667 1.00 0.00 H new ATOM 0 HA LYS A 21 7.560 -10.086 9.576 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.330 -11.697 11.158 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.598 -11.566 11.396 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.792 -13.721 9.634 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.655 -13.927 11.369 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.244 -13.680 11.292 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.288 -13.170 9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.669 -15.424 9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.393 -15.480 9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.724 -17.190 10.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.757 -16.082 11.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.086 -16.028 11.759 1.00 0.00 H new ATOM 314 N VAL A 22 7.636 -12.705 7.608 1.00 0.00 N ATOM 315 CA VAL A 22 8.401 -13.367 6.558 1.00 0.00 C ATOM 316 C VAL A 22 7.484 -13.903 5.465 1.00 0.00 C ATOM 317 O VAL A 22 6.460 -14.525 5.749 1.00 0.00 O ATOM 318 CB VAL A 22 9.242 -14.527 7.123 1.00 0.00 C ATOM 319 CG1 VAL A 22 9.976 -15.249 6.003 1.00 0.00 C ATOM 320 CG2 VAL A 22 10.220 -14.015 8.169 1.00 0.00 C ATOM 0 H VAL A 22 6.688 -13.062 7.728 1.00 0.00 H new ATOM 0 HA VAL A 22 9.069 -12.618 6.132 1.00 0.00 H new ATOM 0 HB VAL A 22 8.571 -15.239 7.604 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.565 -16.065 6.421 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.253 -15.650 5.293 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.637 -14.550 5.491 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.806 -14.848 8.558 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.887 -13.282 7.715 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.669 -13.548 8.985 1.00 0.00 H new ATOM 330 N ALA A 23 7.858 -13.659 4.214 1.00 0.00 N ATOM 331 CA ALA A 23 7.070 -14.120 3.077 1.00 0.00 C ATOM 332 C ALA A 23 6.720 -15.598 3.215 1.00 0.00 C ATOM 333 O ALA A 23 7.552 -16.426 3.587 1.00 0.00 O ATOM 334 CB ALA A 23 7.824 -13.874 1.778 1.00 0.00 C ATOM 0 H ALA A 23 8.702 -13.145 3.962 1.00 0.00 H new ATOM 0 HA ALA A 23 6.139 -13.553 3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.224 -14.223 0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.019 -12.807 1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.770 -14.415 1.798 1.00 0.00 H new ATOM 340 N PRO A 24 5.459 -15.939 2.909 1.00 0.00 N ATOM 341 CA PRO A 24 4.970 -17.318 2.992 1.00 0.00 C ATOM 342 C PRO A 24 5.577 -18.214 1.918 1.00 0.00 C ATOM 343 O PRO A 24 6.557 -17.846 1.271 1.00 0.00 O ATOM 344 CB PRO A 24 3.461 -17.173 2.778 1.00 0.00 C ATOM 345 CG PRO A 24 3.309 -15.913 1.997 1.00 0.00 C ATOM 346 CD PRO A 24 4.414 -15.004 2.459 1.00 0.00 C ATOM 0 HA PRO A 24 5.237 -17.789 3.938 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.054 -18.027 2.236 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.930 -17.116 3.728 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.384 -16.106 0.927 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.333 -15.461 2.172 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.769 -14.362 1.653 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.085 -14.350 3.267 1.00 0.00 H new ATOM 354 N GLU A 25 4.987 -19.391 1.732 1.00 0.00 N ATOM 355 CA GLU A 25 5.471 -20.339 0.735 1.00 0.00 C ATOM 356 C GLU A 25 4.608 -20.294 -0.522 1.00 0.00 C ATOM 357 O GLU A 25 4.425 -21.306 -1.197 1.00 0.00 O ATOM 358 CB GLU A 25 5.481 -21.757 1.310 1.00 0.00 C ATOM 359 CG GLU A 25 6.727 -22.078 2.117 1.00 0.00 C ATOM 360 CD GLU A 25 7.995 -22.004 1.288 1.00 0.00 C ATOM 361 OE1 GLU A 25 8.501 -20.882 1.076 1.00 0.00 O ATOM 362 OE2 GLU A 25 8.480 -23.069 0.852 1.00 0.00 O ATOM 0 H GLU A 25 4.174 -19.711 2.258 1.00 0.00 H new ATOM 0 HA GLU A 25 6.489 -20.057 0.466 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.604 -21.889 1.944 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.394 -22.472 0.492 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.803 -21.383 2.953 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.633 -23.078 2.541 1.00 0.00 H new ATOM 369 N GLU A 26 4.082 -19.112 -0.830 1.00 0.00 N ATOM 370 CA GLU A 26 3.237 -18.935 -2.005 1.00 0.00 C ATOM 371 C GLU A 26 4.014 -18.270 -3.138 1.00 0.00 C ATOM 372 O GLU A 26 5.083 -17.700 -2.921 1.00 0.00 O ATOM 373 CB GLU A 26 2.006 -18.097 -1.655 1.00 0.00 C ATOM 374 CG GLU A 26 0.764 -18.481 -2.441 1.00 0.00 C ATOM 375 CD GLU A 26 0.707 -17.814 -3.802 1.00 0.00 C ATOM 376 OE1 GLU A 26 1.296 -16.724 -3.955 1.00 0.00 O ATOM 377 OE2 GLU A 26 0.072 -18.384 -4.715 1.00 0.00 O ATOM 0 H GLU A 26 4.226 -18.264 -0.282 1.00 0.00 H new ATOM 0 HA GLU A 26 2.912 -19.920 -2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.798 -18.200 -0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.229 -17.046 -1.836 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.740 -19.563 -2.569 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.123 -18.208 -1.869 1.00 0.00 H new ATOM 384 N ASP A 27 3.468 -18.349 -4.347 1.00 0.00 N ATOM 385 CA ASP A 27 4.108 -17.755 -5.514 1.00 0.00 C ATOM 386 C ASP A 27 3.230 -16.664 -6.119 1.00 0.00 C ATOM 387 O ASP A 27 2.109 -16.925 -6.555 1.00 0.00 O ATOM 388 CB ASP A 27 4.404 -18.829 -6.562 1.00 0.00 C ATOM 389 CG ASP A 27 3.427 -19.986 -6.496 1.00 0.00 C ATOM 390 OD1 ASP A 27 3.522 -20.790 -5.544 1.00 0.00 O ATOM 391 OD2 ASP A 27 2.567 -20.089 -7.395 1.00 0.00 O ATOM 0 H ASP A 27 2.584 -18.818 -4.544 1.00 0.00 H new ATOM 0 HA ASP A 27 5.047 -17.304 -5.193 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.368 -18.383 -7.556 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.417 -19.204 -6.418 1.00 0.00 H new ATOM 396 N CYS A 28 3.747 -15.440 -6.142 1.00 0.00 N ATOM 397 CA CYS A 28 3.011 -14.308 -6.691 1.00 0.00 C ATOM 398 C CYS A 28 2.719 -14.517 -8.174 1.00 0.00 C ATOM 399 O CYS A 28 3.637 -14.610 -8.990 1.00 0.00 O ATOM 400 CB CYS A 28 3.802 -13.013 -6.493 1.00 0.00 C ATOM 401 SG CYS A 28 3.192 -11.611 -7.483 1.00 0.00 S ATOM 0 H CYS A 28 4.674 -15.207 -5.786 1.00 0.00 H new ATOM 0 HA CYS A 28 2.063 -14.231 -6.159 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.772 -12.739 -5.438 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.846 -13.195 -6.746 1.00 0.00 H new ATOM 0 HG CYS A 28 3.034 -10.574 -6.715 1.00 0.00 H new ATOM 406 N ILE A 29 1.437 -14.589 -8.515 1.00 0.00 N ATOM 407 CA ILE A 29 1.025 -14.786 -9.899 1.00 0.00 C ATOM 408 C ILE A 29 1.173 -13.500 -10.705 1.00 0.00 C ATOM 409 O ILE A 29 1.439 -13.535 -11.907 1.00 0.00 O ATOM 410 CB ILE A 29 -0.434 -15.269 -9.989 1.00 0.00 C ATOM 411 CG1 ILE A 29 -1.371 -14.259 -9.324 1.00 0.00 C ATOM 412 CG2 ILE A 29 -0.579 -16.639 -9.343 1.00 0.00 C ATOM 413 CD1 ILE A 29 -2.784 -14.299 -9.863 1.00 0.00 C ATOM 0 H ILE A 29 0.666 -14.514 -7.852 1.00 0.00 H new ATOM 0 HA ILE A 29 1.679 -15.552 -10.317 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.709 -15.353 -11.040 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.395 -14.449 -8.251 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.967 -13.256 -9.461 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.616 -16.967 -9.414 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.064 -17.354 -9.857 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.289 -16.579 -8.294 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.392 -13.557 -9.346 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.773 -14.079 -10.930 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.207 -15.291 -9.702 1.00 0.00 H new ATOM 425 N ILE A 30 1.001 -12.365 -10.035 1.00 0.00 N ATOM 426 CA ILE A 30 1.119 -11.068 -10.688 1.00 0.00 C ATOM 427 C ILE A 30 2.442 -10.947 -11.437 1.00 0.00 C ATOM 428 O ILE A 30 2.497 -10.398 -12.538 1.00 0.00 O ATOM 429 CB ILE A 30 1.009 -9.914 -9.673 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.294 -10.026 -8.880 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.089 -8.572 -10.385 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.334 -9.140 -7.654 1.00 0.00 C ATOM 0 H ILE A 30 0.780 -12.318 -9.040 1.00 0.00 H new ATOM 0 HA ILE A 30 0.295 -10.997 -11.398 1.00 0.00 H new ATOM 0 HB ILE A 30 1.844 -9.983 -8.975 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.129 -9.769 -9.531 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.436 -11.063 -8.574 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.010 -7.767 -9.654 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.042 -8.494 -10.909 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.273 -8.492 -11.103 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.287 -9.271 -7.141 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.480 -9.411 -6.982 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.224 -8.098 -7.954 1.00 0.00 H new ATOM 444 N CYS A 31 3.507 -11.464 -10.833 1.00 0.00 N ATOM 445 CA CYS A 31 4.830 -11.417 -11.442 1.00 0.00 C ATOM 446 C CYS A 31 5.371 -12.824 -11.679 1.00 0.00 C ATOM 447 O CYS A 31 6.344 -13.011 -12.409 1.00 0.00 O ATOM 448 CB CYS A 31 5.796 -10.631 -10.553 1.00 0.00 C ATOM 449 SG CYS A 31 6.223 -11.471 -8.994 1.00 0.00 S ATOM 0 H CYS A 31 3.479 -11.921 -9.921 1.00 0.00 H new ATOM 0 HA CYS A 31 4.741 -10.914 -12.405 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.712 -10.438 -11.112 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.353 -9.662 -10.322 1.00 0.00 H new ATOM 0 HG CYS A 31 5.133 -11.801 -8.366 1.00 0.00 H new ATOM 454 N MET A 32 4.732 -13.810 -11.058 1.00 0.00 N ATOM 455 CA MET A 32 5.148 -15.200 -11.202 1.00 0.00 C ATOM 456 C MET A 32 6.556 -15.406 -10.654 1.00 0.00 C ATOM 457 O MET A 32 7.413 -15.984 -11.322 1.00 0.00 O ATOM 458 CB MET A 32 5.094 -15.620 -12.672 1.00 0.00 C ATOM 459 CG MET A 32 3.684 -15.681 -13.236 1.00 0.00 C ATOM 460 SD MET A 32 3.603 -16.547 -14.815 1.00 0.00 S ATOM 461 CE MET A 32 3.627 -18.252 -14.268 1.00 0.00 C ATOM 0 H MET A 32 3.924 -13.672 -10.450 1.00 0.00 H new ATOM 0 HA MET A 32 4.460 -15.821 -10.628 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.683 -14.919 -13.263 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.562 -16.599 -12.779 1.00 0.00 H new ATOM 0 HG2 MET A 32 3.032 -16.179 -12.519 1.00 0.00 H new ATOM 0 HG3 MET A 32 3.303 -14.667 -13.362 1.00 0.00 H new ATOM 0 HE1 MET A 32 4.254 -18.840 -14.938 1.00 0.00 H new ATOM 0 HE2 MET A 32 4.029 -18.304 -13.256 1.00 0.00 H new ATOM 0 HE3 MET A 32 2.613 -18.651 -14.276 1.00 0.00 H new ATOM 471 N GLU A 33 6.787 -14.930 -9.434 1.00 0.00 N ATOM 472 CA GLU A 33 8.093 -15.062 -8.798 1.00 0.00 C ATOM 473 C GLU A 33 7.944 -15.382 -7.313 1.00 0.00 C ATOM 474 O GLU A 33 7.251 -14.676 -6.580 1.00 0.00 O ATOM 475 CB GLU A 33 8.903 -13.777 -8.975 1.00 0.00 C ATOM 476 CG GLU A 33 9.302 -13.502 -10.415 1.00 0.00 C ATOM 477 CD GLU A 33 9.988 -14.687 -11.067 1.00 0.00 C ATOM 478 OE1 GLU A 33 10.804 -15.346 -10.390 1.00 0.00 O ATOM 479 OE2 GLU A 33 9.708 -14.954 -12.255 1.00 0.00 O ATOM 0 H GLU A 33 6.088 -14.450 -8.867 1.00 0.00 H new ATOM 0 HA GLU A 33 8.622 -15.885 -9.279 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.319 -12.935 -8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.803 -13.838 -8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.414 -13.239 -10.990 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.968 -12.640 -10.445 1.00 0.00 H new ATOM 486 N LYS A 34 8.600 -16.452 -6.876 1.00 0.00 N ATOM 487 CA LYS A 34 8.543 -16.868 -5.480 1.00 0.00 C ATOM 488 C LYS A 34 8.725 -15.673 -4.549 1.00 0.00 C ATOM 489 O LYS A 34 9.774 -15.028 -4.548 1.00 0.00 O ATOM 490 CB LYS A 34 9.618 -17.918 -5.195 1.00 0.00 C ATOM 491 CG LYS A 34 9.131 -19.348 -5.359 1.00 0.00 C ATOM 492 CD LYS A 34 10.252 -20.271 -5.805 1.00 0.00 C ATOM 493 CE LYS A 34 10.611 -20.047 -7.266 1.00 0.00 C ATOM 494 NZ LYS A 34 9.624 -20.681 -8.183 1.00 0.00 N ATOM 0 H LYS A 34 9.178 -17.047 -7.470 1.00 0.00 H new ATOM 0 HA LYS A 34 7.561 -17.304 -5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.463 -17.752 -5.864 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.985 -17.783 -4.178 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.720 -19.704 -4.414 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.323 -19.376 -6.090 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.132 -20.104 -5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.951 -21.308 -5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.659 -18.977 -7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.603 -20.454 -7.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.922 -20.535 -9.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.571 -21.701 -7.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.688 -20.251 -8.037 1.00 0.00 H new ATOM 508 N LEU A 35 7.698 -15.384 -3.758 1.00 0.00 N ATOM 509 CA LEU A 35 7.745 -14.267 -2.820 1.00 0.00 C ATOM 510 C LEU A 35 9.137 -14.124 -2.213 1.00 0.00 C ATOM 511 O LEU A 35 9.589 -13.016 -1.925 1.00 0.00 O ATOM 512 CB LEU A 35 6.710 -14.463 -1.711 1.00 0.00 C ATOM 513 CG LEU A 35 5.274 -14.714 -2.170 1.00 0.00 C ATOM 514 CD1 LEU A 35 4.405 -15.139 -0.996 1.00 0.00 C ATOM 515 CD2 LEU A 35 4.702 -13.471 -2.836 1.00 0.00 C ATOM 0 H LEU A 35 6.822 -15.907 -3.747 1.00 0.00 H new ATOM 0 HA LEU A 35 7.512 -13.354 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.025 -15.304 -1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.717 -13.578 -1.074 1.00 0.00 H new ATOM 0 HG LEU A 35 5.283 -15.522 -2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.386 -15.313 -1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.803 -16.056 -0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.402 -14.352 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.679 -13.668 -3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.707 -12.643 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.310 -13.210 -3.702 1.00 0.00 H new ATOM 527 N ALA A 36 9.813 -15.253 -2.024 1.00 0.00 N ATOM 528 CA ALA A 36 11.156 -15.253 -1.456 1.00 0.00 C ATOM 529 C ALA A 36 12.035 -14.203 -2.125 1.00 0.00 C ATOM 530 O ALA A 36 12.724 -13.435 -1.453 1.00 0.00 O ATOM 531 CB ALA A 36 11.784 -16.632 -1.587 1.00 0.00 C ATOM 0 H ALA A 36 9.453 -16.179 -2.256 1.00 0.00 H new ATOM 0 HA ALA A 36 11.077 -15.001 -0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.786 -16.617 -1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.173 -17.362 -1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.843 -16.906 -2.640 1.00 0.00 H new ATOM 537 N VAL A 37 12.009 -14.175 -3.454 1.00 0.00 N ATOM 538 CA VAL A 37 12.804 -13.219 -4.215 1.00 0.00 C ATOM 539 C VAL A 37 12.133 -11.850 -4.249 1.00 0.00 C ATOM 540 O VAL A 37 11.034 -11.673 -3.724 1.00 0.00 O ATOM 541 CB VAL A 37 13.032 -13.702 -5.660 1.00 0.00 C ATOM 542 CG1 VAL A 37 13.661 -15.088 -5.666 1.00 0.00 C ATOM 543 CG2 VAL A 37 11.724 -13.698 -6.436 1.00 0.00 C ATOM 0 H VAL A 37 11.445 -14.804 -4.026 1.00 0.00 H new ATOM 0 HA VAL A 37 13.767 -13.137 -3.711 1.00 0.00 H new ATOM 0 HB VAL A 37 13.720 -13.014 -6.151 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.815 -15.413 -6.695 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.620 -15.055 -5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.999 -15.790 -5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.904 -14.042 -7.454 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.010 -14.363 -5.949 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.319 -12.686 -6.461 1.00 0.00 H new ATOM 553 N ALA A 38 12.802 -10.885 -4.871 1.00 0.00 N ATOM 554 CA ALA A 38 12.270 -9.532 -4.976 1.00 0.00 C ATOM 555 C ALA A 38 11.080 -9.482 -5.929 1.00 0.00 C ATOM 556 O ALA A 38 10.774 -10.464 -6.606 1.00 0.00 O ATOM 557 CB ALA A 38 13.357 -8.571 -5.435 1.00 0.00 C ATOM 0 H ALA A 38 13.714 -11.015 -5.310 1.00 0.00 H new ATOM 0 HA ALA A 38 11.924 -9.227 -3.988 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.945 -7.564 -5.509 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.175 -8.576 -4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.730 -8.883 -6.410 1.00 0.00 H new ATOM 563 N SER A 39 10.412 -8.334 -5.975 1.00 0.00 N ATOM 564 CA SER A 39 9.253 -8.159 -6.842 1.00 0.00 C ATOM 565 C SER A 39 9.686 -7.819 -8.265 1.00 0.00 C ATOM 566 O SER A 39 10.705 -7.163 -8.476 1.00 0.00 O ATOM 567 CB SER A 39 8.344 -7.056 -6.296 1.00 0.00 C ATOM 568 OG SER A 39 7.295 -6.764 -7.203 1.00 0.00 O ATOM 0 H SER A 39 10.653 -7.511 -5.422 1.00 0.00 H new ATOM 0 HA SER A 39 8.700 -9.098 -6.864 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.925 -7.366 -5.339 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.930 -6.156 -6.111 1.00 0.00 H new ATOM 0 HG SER A 39 6.584 -7.431 -7.106 1.00 0.00 H new ATOM 574 N GLY A 40 8.901 -8.271 -9.239 1.00 0.00 N ATOM 575 CA GLY A 40 9.219 -8.005 -10.630 1.00 0.00 C ATOM 576 C GLY A 40 8.966 -6.562 -11.018 1.00 0.00 C ATOM 577 O GLY A 40 9.638 -6.020 -11.895 1.00 0.00 O ATOM 0 H GLY A 40 8.052 -8.816 -9.090 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.265 -8.249 -10.813 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.623 -8.659 -11.267 1.00 0.00 H new ATOM 581 N TYR A 41 7.993 -5.937 -10.364 1.00 0.00 N ATOM 582 CA TYR A 41 7.649 -4.549 -10.647 1.00 0.00 C ATOM 583 C TYR A 41 8.656 -3.597 -10.008 1.00 0.00 C ATOM 584 O TYR A 41 8.700 -2.412 -10.335 1.00 0.00 O ATOM 585 CB TYR A 41 6.241 -4.236 -10.139 1.00 0.00 C ATOM 586 CG TYR A 41 5.149 -4.946 -10.907 1.00 0.00 C ATOM 587 CD1 TYR A 41 5.049 -6.332 -10.891 1.00 0.00 C ATOM 588 CD2 TYR A 41 4.215 -4.231 -11.647 1.00 0.00 C ATOM 589 CE1 TYR A 41 4.054 -6.985 -11.591 1.00 0.00 C ATOM 590 CE2 TYR A 41 3.215 -4.875 -12.349 1.00 0.00 C ATOM 591 CZ TYR A 41 3.139 -6.252 -12.318 1.00 0.00 C ATOM 592 OH TYR A 41 2.144 -6.899 -13.016 1.00 0.00 O ATOM 0 H TYR A 41 7.428 -6.370 -9.634 1.00 0.00 H new ATOM 0 HA TYR A 41 7.677 -4.408 -11.727 1.00 0.00 H new ATOM 0 HB2 TYR A 41 6.173 -4.513 -9.087 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.074 -3.160 -10.196 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.762 -6.909 -10.321 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.272 -3.153 -11.674 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.992 -8.063 -11.570 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.497 -4.304 -12.919 1.00 0.00 H new ATOM 0 HH TYR A 41 1.583 -6.239 -13.474 1.00 0.00 H new ATOM 602 N SER A 42 9.464 -4.127 -9.095 1.00 0.00 N ATOM 603 CA SER A 42 10.469 -3.326 -8.406 1.00 0.00 C ATOM 604 C SER A 42 11.073 -2.288 -9.347 1.00 0.00 C ATOM 605 O SER A 42 11.243 -1.125 -8.979 1.00 0.00 O ATOM 606 CB SER A 42 11.571 -4.225 -7.844 1.00 0.00 C ATOM 607 OG SER A 42 12.357 -4.779 -8.885 1.00 0.00 O ATOM 0 H SER A 42 9.442 -5.108 -8.815 1.00 0.00 H new ATOM 0 HA SER A 42 9.981 -2.805 -7.582 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.207 -3.649 -7.171 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.126 -5.026 -7.254 1.00 0.00 H new ATOM 0 HG SER A 42 12.066 -5.698 -9.061 1.00 0.00 H new ATOM 613 N ASP A 43 11.397 -2.717 -10.562 1.00 0.00 N ATOM 614 CA ASP A 43 11.982 -1.826 -11.557 1.00 0.00 C ATOM 615 C ASP A 43 10.900 -1.014 -12.262 1.00 0.00 C ATOM 616 O ASP A 43 11.051 0.189 -12.474 1.00 0.00 O ATOM 617 CB ASP A 43 12.785 -2.628 -12.581 1.00 0.00 C ATOM 618 CG ASP A 43 13.946 -1.839 -13.153 1.00 0.00 C ATOM 619 OD1 ASP A 43 13.803 -0.609 -13.319 1.00 0.00 O ATOM 620 OD2 ASP A 43 14.998 -2.450 -13.434 1.00 0.00 O ATOM 0 H ASP A 43 11.264 -3.677 -10.881 1.00 0.00 H new ATOM 0 HA ASP A 43 12.651 -1.136 -11.043 1.00 0.00 H new ATOM 0 HB2 ASP A 43 13.163 -3.536 -12.111 1.00 0.00 H new ATOM 0 HB3 ASP A 43 12.126 -2.939 -13.392 1.00 0.00 H new ATOM 625 N MET A 44 9.809 -1.681 -12.625 1.00 0.00 N ATOM 626 CA MET A 44 8.702 -1.021 -13.308 1.00 0.00 C ATOM 627 C MET A 44 8.142 0.117 -12.460 1.00 0.00 C ATOM 628 O MET A 44 8.308 1.292 -12.792 1.00 0.00 O ATOM 629 CB MET A 44 7.595 -2.030 -13.623 1.00 0.00 C ATOM 630 CG MET A 44 6.509 -1.476 -14.531 1.00 0.00 C ATOM 631 SD MET A 44 5.728 -2.752 -15.537 1.00 0.00 S ATOM 632 CE MET A 44 4.079 -2.771 -14.840 1.00 0.00 C ATOM 0 H MET A 44 9.668 -2.677 -12.458 1.00 0.00 H new ATOM 0 HA MET A 44 9.080 -0.604 -14.241 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.038 -2.908 -14.093 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.142 -2.363 -12.689 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.750 -0.982 -13.924 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.939 -0.716 -15.184 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.670 -3.780 -14.900 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.121 -2.458 -13.797 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.440 -2.087 -15.398 1.00 0.00 H new ATOM 642 N THR A 45 7.478 -0.238 -11.365 1.00 0.00 N ATOM 643 CA THR A 45 6.892 0.754 -10.471 1.00 0.00 C ATOM 644 C THR A 45 7.931 1.780 -10.033 1.00 0.00 C ATOM 645 O THR A 45 7.658 2.981 -10.007 1.00 0.00 O ATOM 646 CB THR A 45 6.282 0.093 -9.221 1.00 0.00 C ATOM 647 OG1 THR A 45 7.191 -0.875 -8.686 1.00 0.00 O ATOM 648 CG2 THR A 45 4.958 -0.578 -9.556 1.00 0.00 C ATOM 0 H THR A 45 7.332 -1.205 -11.075 1.00 0.00 H new ATOM 0 HA THR A 45 6.102 1.256 -11.030 1.00 0.00 H new ATOM 0 HB THR A 45 6.100 0.870 -8.478 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.738 -1.245 -9.410 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.546 -1.038 -8.658 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.259 0.167 -9.936 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.120 -1.344 -10.314 1.00 0.00 H new ATOM 656 N ASP A 46 9.122 1.301 -9.691 1.00 0.00 N ATOM 657 CA ASP A 46 10.202 2.178 -9.256 1.00 0.00 C ATOM 658 C ASP A 46 9.827 2.906 -7.969 1.00 0.00 C ATOM 659 O ASP A 46 10.245 4.041 -7.741 1.00 0.00 O ATOM 660 CB ASP A 46 10.537 3.192 -10.351 1.00 0.00 C ATOM 661 CG ASP A 46 11.688 2.739 -11.228 1.00 0.00 C ATOM 662 OD1 ASP A 46 12.716 2.296 -10.675 1.00 0.00 O ATOM 663 OD2 ASP A 46 11.560 2.827 -12.467 1.00 0.00 O ATOM 0 H ASP A 46 9.364 0.310 -9.707 1.00 0.00 H new ATOM 0 HA ASP A 46 11.080 1.562 -9.061 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.656 3.358 -10.970 1.00 0.00 H new ATOM 0 HB3 ASP A 46 10.788 4.148 -9.892 1.00 0.00 H new ATOM 668 N SER A 47 9.034 2.245 -7.131 1.00 0.00 N ATOM 669 CA SER A 47 8.597 2.831 -5.869 1.00 0.00 C ATOM 670 C SER A 47 9.742 2.865 -4.861 1.00 0.00 C ATOM 671 O SER A 47 10.640 2.023 -4.894 1.00 0.00 O ATOM 672 CB SER A 47 7.421 2.039 -5.295 1.00 0.00 C ATOM 673 OG SER A 47 6.397 1.875 -6.261 1.00 0.00 O ATOM 0 H SER A 47 8.681 1.304 -7.303 1.00 0.00 H new ATOM 0 HA SER A 47 8.276 3.854 -6.064 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.767 1.062 -4.957 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.022 2.555 -4.422 1.00 0.00 H new ATOM 0 HG SER A 47 6.139 0.931 -6.307 1.00 0.00 H new ATOM 679 N LYS A 48 9.704 3.845 -3.965 1.00 0.00 N ATOM 680 CA LYS A 48 10.736 3.991 -2.946 1.00 0.00 C ATOM 681 C LYS A 48 10.144 3.846 -1.548 1.00 0.00 C ATOM 682 O LYS A 48 10.831 3.433 -0.613 1.00 0.00 O ATOM 683 CB LYS A 48 11.426 5.351 -3.080 1.00 0.00 C ATOM 684 CG LYS A 48 10.542 6.523 -2.691 1.00 0.00 C ATOM 685 CD LYS A 48 9.820 7.101 -3.897 1.00 0.00 C ATOM 686 CE LYS A 48 8.919 8.261 -3.503 1.00 0.00 C ATOM 687 NZ LYS A 48 9.642 9.563 -3.544 1.00 0.00 N ATOM 0 H LYS A 48 8.969 4.551 -3.924 1.00 0.00 H new ATOM 0 HA LYS A 48 11.472 3.201 -3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.320 5.358 -2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.755 5.482 -4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.812 6.199 -1.950 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.149 7.298 -2.223 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.550 7.439 -4.632 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.225 6.322 -4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.062 8.300 -4.175 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.529 8.093 -2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.994 10.329 -3.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.445 9.535 -2.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.992 9.735 -4.508 1.00 0.00 H new ATOM 701 N ALA A 49 8.867 4.185 -1.412 1.00 0.00 N ATOM 702 CA ALA A 49 8.182 4.089 -0.129 1.00 0.00 C ATOM 703 C ALA A 49 8.000 2.634 0.288 1.00 0.00 C ATOM 704 O ALA A 49 8.234 2.274 1.442 1.00 0.00 O ATOM 705 CB ALA A 49 6.835 4.793 -0.196 1.00 0.00 C ATOM 0 H ALA A 49 8.285 4.529 -2.176 1.00 0.00 H new ATOM 0 HA ALA A 49 8.800 4.581 0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.334 4.713 0.769 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.986 5.844 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.218 4.326 -0.964 1.00 0.00 H new ATOM 711 N LEU A 50 7.581 1.800 -0.658 1.00 0.00 N ATOM 712 CA LEU A 50 7.367 0.382 -0.388 1.00 0.00 C ATOM 713 C LEU A 50 8.614 -0.430 -0.723 1.00 0.00 C ATOM 714 O LEU A 50 9.619 0.115 -1.177 1.00 0.00 O ATOM 715 CB LEU A 50 6.175 -0.136 -1.195 1.00 0.00 C ATOM 716 CG LEU A 50 4.805 0.418 -0.800 1.00 0.00 C ATOM 717 CD1 LEU A 50 3.793 0.180 -1.909 1.00 0.00 C ATOM 718 CD2 LEU A 50 4.331 -0.211 0.502 1.00 0.00 C ATOM 0 H LEU A 50 7.383 2.081 -1.618 1.00 0.00 H new ATOM 0 HA LEU A 50 7.156 0.267 0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.347 0.092 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.145 -1.222 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 50 4.899 1.493 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.824 0.581 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.127 0.678 -2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.701 -0.890 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.355 0.195 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.253 -1.291 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.045 0.012 1.295 1.00 0.00 H new ATOM 730 N GLY A 51 8.540 -1.738 -0.497 1.00 0.00 N ATOM 731 CA GLY A 51 9.668 -2.605 -0.782 1.00 0.00 C ATOM 732 C GLY A 51 9.313 -3.722 -1.743 1.00 0.00 C ATOM 733 O GLY A 51 8.199 -4.247 -1.734 1.00 0.00 O ATOM 0 H GLY A 51 7.719 -2.213 -0.122 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.480 -2.012 -1.203 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.036 -3.035 0.150 1.00 0.00 H new ATOM 737 N PRO A 52 10.274 -4.101 -2.598 1.00 0.00 N ATOM 738 CA PRO A 52 10.080 -5.165 -3.587 1.00 0.00 C ATOM 739 C PRO A 52 9.975 -6.543 -2.942 1.00 0.00 C ATOM 740 O PRO A 52 9.138 -7.358 -3.329 1.00 0.00 O ATOM 741 CB PRO A 52 11.337 -5.076 -4.456 1.00 0.00 C ATOM 742 CG PRO A 52 12.367 -4.463 -3.571 1.00 0.00 C ATOM 743 CD PRO A 52 11.625 -3.519 -2.665 1.00 0.00 C ATOM 0 HA PRO A 52 9.151 -5.040 -4.143 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.649 -6.061 -4.803 1.00 0.00 H new ATOM 0 HB3 PRO A 52 11.163 -4.466 -5.342 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.891 -5.226 -2.995 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.119 -3.933 -4.156 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.087 -3.462 -1.679 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.607 -2.506 -3.068 1.00 0.00 H new ATOM 751 N MET A 53 10.830 -6.797 -1.956 1.00 0.00 N ATOM 752 CA MET A 53 10.831 -8.076 -1.256 1.00 0.00 C ATOM 753 C MET A 53 9.678 -8.153 -0.261 1.00 0.00 C ATOM 754 O MET A 53 9.210 -9.239 0.080 1.00 0.00 O ATOM 755 CB MET A 53 12.161 -8.283 -0.530 1.00 0.00 C ATOM 756 CG MET A 53 13.335 -8.517 -1.467 1.00 0.00 C ATOM 757 SD MET A 53 14.703 -9.376 -0.666 1.00 0.00 S ATOM 758 CE MET A 53 14.344 -11.073 -1.110 1.00 0.00 C ATOM 0 H MET A 53 11.531 -6.134 -1.624 1.00 0.00 H new ATOM 0 HA MET A 53 10.702 -8.866 -1.996 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.368 -7.409 0.088 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.069 -9.135 0.144 1.00 0.00 H new ATOM 0 HG2 MET A 53 12.999 -9.098 -2.326 1.00 0.00 H new ATOM 0 HG3 MET A 53 13.687 -7.559 -1.849 1.00 0.00 H new ATOM 0 HE1 MET A 53 14.252 -11.674 -0.205 1.00 0.00 H new ATOM 0 HE2 MET A 53 13.409 -11.113 -1.669 1.00 0.00 H new ATOM 0 HE3 MET A 53 15.152 -11.467 -1.726 1.00 0.00 H new ATOM 768 N VAL A 54 9.224 -6.992 0.203 1.00 0.00 N ATOM 769 CA VAL A 54 8.125 -6.928 1.158 1.00 0.00 C ATOM 770 C VAL A 54 6.909 -7.695 0.650 1.00 0.00 C ATOM 771 O VAL A 54 6.437 -7.464 -0.463 1.00 0.00 O ATOM 772 CB VAL A 54 7.716 -5.471 1.447 1.00 0.00 C ATOM 773 CG1 VAL A 54 6.598 -5.424 2.477 1.00 0.00 C ATOM 774 CG2 VAL A 54 8.917 -4.664 1.914 1.00 0.00 C ATOM 0 H VAL A 54 9.601 -6.084 -0.068 1.00 0.00 H new ATOM 0 HA VAL A 54 8.481 -7.387 2.080 1.00 0.00 H new ATOM 0 HB VAL A 54 7.345 -5.026 0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.323 -4.387 2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.731 -5.966 2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.938 -5.886 3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.610 -3.637 2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.320 -5.106 2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.683 -4.669 1.138 1.00 0.00 H new ATOM 784 N VAL A 55 6.405 -8.608 1.474 1.00 0.00 N ATOM 785 CA VAL A 55 5.242 -9.409 1.110 1.00 0.00 C ATOM 786 C VAL A 55 4.185 -9.374 2.207 1.00 0.00 C ATOM 787 O VAL A 55 4.507 -9.398 3.394 1.00 0.00 O ATOM 788 CB VAL A 55 5.633 -10.873 0.834 1.00 0.00 C ATOM 789 CG1 VAL A 55 4.423 -11.671 0.373 1.00 0.00 C ATOM 790 CG2 VAL A 55 6.750 -10.941 -0.196 1.00 0.00 C ATOM 0 H VAL A 55 6.784 -8.812 2.399 1.00 0.00 H new ATOM 0 HA VAL A 55 4.830 -8.973 0.200 1.00 0.00 H new ATOM 0 HB VAL A 55 5.998 -11.314 1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.719 -12.703 0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.657 -11.650 1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.025 -11.233 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.014 -11.983 -0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.415 -10.483 -1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.623 -10.406 0.178 1.00 0.00 H new ATOM 800 N GLY A 56 2.920 -9.318 1.802 1.00 0.00 N ATOM 801 CA GLY A 56 1.834 -9.281 2.763 1.00 0.00 C ATOM 802 C GLY A 56 0.624 -10.070 2.302 1.00 0.00 C ATOM 803 O GLY A 56 0.308 -10.095 1.112 1.00 0.00 O ATOM 0 H GLY A 56 2.628 -9.298 0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.182 -9.680 3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.543 -8.245 2.938 1.00 0.00 H new ATOM 807 N ARG A 57 -0.054 -10.717 3.244 1.00 0.00 N ATOM 808 CA ARG A 57 -1.233 -11.513 2.927 1.00 0.00 C ATOM 809 C ARG A 57 -2.510 -10.711 3.165 1.00 0.00 C ATOM 810 O ARG A 57 -2.714 -10.154 4.244 1.00 0.00 O ATOM 811 CB ARG A 57 -1.255 -12.789 3.770 1.00 0.00 C ATOM 812 CG ARG A 57 -0.570 -13.971 3.105 1.00 0.00 C ATOM 813 CD ARG A 57 -0.880 -15.273 3.825 1.00 0.00 C ATOM 814 NE ARG A 57 -0.579 -15.194 5.252 1.00 0.00 N ATOM 815 CZ ARG A 57 -0.286 -16.252 6.001 1.00 0.00 C ATOM 816 NH1 ARG A 57 -0.253 -17.462 5.461 1.00 0.00 N ATOM 817 NH2 ARG A 57 -0.024 -16.099 7.293 1.00 0.00 N ATOM 0 H ARG A 57 0.193 -10.705 4.234 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.185 -11.784 1.872 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.771 -12.591 4.726 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.290 -13.054 3.985 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.893 -14.043 2.066 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.508 -13.809 3.093 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.933 -15.520 3.690 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.303 -16.082 3.377 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.595 -14.277 5.698 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.453 -17.583 4.468 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.028 -18.272 6.038 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.047 -15.169 7.712 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.201 -16.911 7.867 1.00 0.00 H new ATOM 831 N LEU A 58 -3.365 -10.657 2.150 1.00 0.00 N ATOM 832 CA LEU A 58 -4.622 -9.923 2.248 1.00 0.00 C ATOM 833 C LEU A 58 -5.353 -10.264 3.543 1.00 0.00 C ATOM 834 O LEU A 58 -4.958 -11.176 4.271 1.00 0.00 O ATOM 835 CB LEU A 58 -5.515 -10.239 1.047 1.00 0.00 C ATOM 836 CG LEU A 58 -5.150 -9.541 -0.263 1.00 0.00 C ATOM 837 CD1 LEU A 58 -5.454 -10.442 -1.450 1.00 0.00 C ATOM 838 CD2 LEU A 58 -5.895 -8.221 -0.390 1.00 0.00 C ATOM 0 H LEU A 58 -3.211 -11.112 1.250 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.392 -8.858 2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.496 -11.316 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.541 -9.974 1.303 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.080 -9.332 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.188 -9.929 -2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.875 -11.362 -1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.517 -10.682 -1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.623 -7.738 -1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.969 -8.407 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.628 -7.571 0.443 1.00 0.00 H new ATOM 850 N THR A 59 -6.422 -9.526 3.826 1.00 0.00 N ATOM 851 CA THR A 59 -7.209 -9.750 5.032 1.00 0.00 C ATOM 852 C THR A 59 -8.574 -10.340 4.697 1.00 0.00 C ATOM 853 O THR A 59 -9.295 -10.805 5.579 1.00 0.00 O ATOM 854 CB THR A 59 -7.407 -8.444 5.824 1.00 0.00 C ATOM 855 OG1 THR A 59 -8.121 -7.492 5.028 1.00 0.00 O ATOM 856 CG2 THR A 59 -6.068 -7.858 6.245 1.00 0.00 C ATOM 0 H THR A 59 -6.763 -8.767 3.235 1.00 0.00 H new ATOM 0 HA THR A 59 -6.652 -10.458 5.646 1.00 0.00 H new ATOM 0 HB THR A 59 -7.983 -8.673 6.720 1.00 0.00 H new ATOM 0 HG1 THR A 59 -8.244 -6.665 5.539 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.233 -6.936 6.803 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.540 -8.574 6.875 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.470 -7.644 5.359 1.00 0.00 H new ATOM 864 N LYS A 60 -8.923 -10.318 3.415 1.00 0.00 N ATOM 865 CA LYS A 60 -10.202 -10.853 2.961 1.00 0.00 C ATOM 866 C LYS A 60 -10.070 -12.321 2.570 1.00 0.00 C ATOM 867 O LYS A 60 -10.768 -13.182 3.106 1.00 0.00 O ATOM 868 CB LYS A 60 -10.724 -10.042 1.773 1.00 0.00 C ATOM 869 CG LYS A 60 -12.240 -9.981 1.697 1.00 0.00 C ATOM 870 CD LYS A 60 -12.789 -8.786 2.458 1.00 0.00 C ATOM 871 CE LYS A 60 -14.086 -8.282 1.845 1.00 0.00 C ATOM 872 NZ LYS A 60 -15.238 -9.162 2.182 1.00 0.00 N ATOM 0 H LYS A 60 -8.338 -9.936 2.672 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.912 -10.778 3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.331 -9.027 1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.340 -10.477 0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.551 -9.923 0.654 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.663 -10.899 2.105 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.961 -9.063 3.498 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.051 -7.984 2.460 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.286 -7.271 2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.977 -8.225 0.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.103 -8.784 1.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.059 -10.121 1.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.358 -9.197 3.214 1.00 0.00 H new ATOM 886 N CYS A 61 -9.170 -12.600 1.633 1.00 0.00 N ATOM 887 CA CYS A 61 -8.945 -13.964 1.170 1.00 0.00 C ATOM 888 C CYS A 61 -7.650 -14.529 1.749 1.00 0.00 C ATOM 889 O CYS A 61 -7.298 -15.681 1.501 1.00 0.00 O ATOM 890 CB CYS A 61 -8.893 -14.005 -0.358 1.00 0.00 C ATOM 891 SG CYS A 61 -7.891 -12.679 -1.104 1.00 0.00 S ATOM 0 H CYS A 61 -8.584 -11.899 1.179 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.776 -14.579 1.515 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.492 -14.969 -0.671 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.909 -13.941 -0.747 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.417 -12.323 -2.238 1.00 0.00 H new ATOM 896 N SER A 62 -6.947 -13.707 2.522 1.00 0.00 N ATOM 897 CA SER A 62 -5.690 -14.122 3.133 1.00 0.00 C ATOM 898 C SER A 62 -4.727 -14.665 2.081 1.00 0.00 C ATOM 899 O SER A 62 -4.027 -15.651 2.313 1.00 0.00 O ATOM 900 CB SER A 62 -5.945 -15.186 4.203 1.00 0.00 C ATOM 901 OG SER A 62 -6.207 -16.448 3.615 1.00 0.00 O ATOM 0 H SER A 62 -7.227 -12.751 2.740 1.00 0.00 H new ATOM 0 HA SER A 62 -5.236 -13.248 3.600 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.079 -15.260 4.860 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.790 -14.888 4.823 1.00 0.00 H new ATOM 0 HG SER A 62 -6.376 -16.334 2.657 1.00 0.00 H new ATOM 907 N HIS A 63 -4.697 -14.012 0.923 1.00 0.00 N ATOM 908 CA HIS A 63 -3.820 -14.427 -0.166 1.00 0.00 C ATOM 909 C HIS A 63 -2.523 -13.623 -0.156 1.00 0.00 C ATOM 910 O HIS A 63 -2.544 -12.395 -0.079 1.00 0.00 O ATOM 911 CB HIS A 63 -4.527 -14.260 -1.511 1.00 0.00 C ATOM 912 CG HIS A 63 -5.563 -15.308 -1.777 1.00 0.00 C ATOM 913 ND1 HIS A 63 -6.299 -15.360 -2.942 1.00 0.00 N ATOM 914 CD2 HIS A 63 -5.983 -16.350 -1.022 1.00 0.00 C ATOM 915 CE1 HIS A 63 -7.128 -16.387 -2.891 1.00 0.00 C ATOM 916 NE2 HIS A 63 -6.956 -17.005 -1.736 1.00 0.00 N ATOM 0 H HIS A 63 -5.270 -13.194 0.715 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.576 -15.479 -0.021 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.999 -13.278 -1.545 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.784 -14.285 -2.308 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.620 -16.617 -0.040 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.828 -16.673 -3.662 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -7.463 -17.834 -1.425 1.00 0.00 H new ATOM 924 N ALA A 64 -1.397 -14.324 -0.233 1.00 0.00 N ATOM 925 CA ALA A 64 -0.092 -13.675 -0.235 1.00 0.00 C ATOM 926 C ALA A 64 0.187 -13.005 -1.576 1.00 0.00 C ATOM 927 O ALA A 64 -0.166 -13.533 -2.630 1.00 0.00 O ATOM 928 CB ALA A 64 1.000 -14.684 0.090 1.00 0.00 C ATOM 0 H ALA A 64 -1.362 -15.342 -0.295 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.098 -12.902 0.533 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.969 -14.185 0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.818 -15.113 1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.996 -15.477 -0.657 1.00 0.00 H new ATOM 934 N PHE A 65 0.821 -11.837 -1.528 1.00 0.00 N ATOM 935 CA PHE A 65 1.145 -11.094 -2.740 1.00 0.00 C ATOM 936 C PHE A 65 2.122 -9.961 -2.438 1.00 0.00 C ATOM 937 O PHE A 65 2.005 -9.281 -1.418 1.00 0.00 O ATOM 938 CB PHE A 65 -0.129 -10.529 -3.373 1.00 0.00 C ATOM 939 CG PHE A 65 -0.820 -11.495 -4.292 1.00 0.00 C ATOM 940 CD1 PHE A 65 -0.315 -11.753 -5.556 1.00 0.00 C ATOM 941 CD2 PHE A 65 -1.977 -12.145 -3.892 1.00 0.00 C ATOM 942 CE1 PHE A 65 -0.949 -12.642 -6.404 1.00 0.00 C ATOM 943 CE2 PHE A 65 -2.615 -13.035 -4.735 1.00 0.00 C ATOM 944 CZ PHE A 65 -2.101 -13.283 -5.993 1.00 0.00 C ATOM 0 H PHE A 65 1.120 -11.386 -0.664 1.00 0.00 H new ATOM 0 HA PHE A 65 1.618 -11.781 -3.442 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.819 -10.235 -2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.121 -9.626 -3.929 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.585 -11.254 -5.883 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.385 -11.954 -2.910 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.544 -12.835 -7.386 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.515 -13.536 -4.410 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.599 -13.977 -6.654 1.00 0.00 H new ATOM 954 N HIS A 66 3.085 -9.765 -3.332 1.00 0.00 N ATOM 955 CA HIS A 66 4.083 -8.715 -3.163 1.00 0.00 C ATOM 956 C HIS A 66 3.415 -7.360 -2.946 1.00 0.00 C ATOM 957 O HIS A 66 2.947 -6.728 -3.894 1.00 0.00 O ATOM 958 CB HIS A 66 5.003 -8.653 -4.383 1.00 0.00 C ATOM 959 CG HIS A 66 5.937 -9.819 -4.488 1.00 0.00 C ATOM 960 ND1 HIS A 66 5.682 -10.920 -5.278 1.00 0.00 N ATOM 961 CD2 HIS A 66 7.133 -10.051 -3.897 1.00 0.00 C ATOM 962 CE1 HIS A 66 6.679 -11.779 -5.168 1.00 0.00 C ATOM 963 NE2 HIS A 66 7.573 -11.275 -4.336 1.00 0.00 N ATOM 0 H HIS A 66 3.196 -10.319 -4.181 1.00 0.00 H new ATOM 0 HA HIS A 66 4.678 -8.953 -2.281 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.394 -8.604 -5.285 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.586 -7.733 -4.342 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.853 -11.051 -5.857 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.645 -9.395 -3.209 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.751 -12.731 -5.672 1.00 0.00 H new ATOM 971 N LEU A 67 3.374 -6.920 -1.693 1.00 0.00 N ATOM 972 CA LEU A 67 2.763 -5.641 -1.351 1.00 0.00 C ATOM 973 C LEU A 67 3.055 -4.594 -2.422 1.00 0.00 C ATOM 974 O LEU A 67 2.267 -3.671 -2.635 1.00 0.00 O ATOM 975 CB LEU A 67 3.274 -5.155 0.006 1.00 0.00 C ATOM 976 CG LEU A 67 2.936 -6.039 1.207 1.00 0.00 C ATOM 977 CD1 LEU A 67 3.269 -5.325 2.507 1.00 0.00 C ATOM 978 CD2 LEU A 67 1.468 -6.441 1.177 1.00 0.00 C ATOM 0 H LEU A 67 3.757 -7.430 -0.897 1.00 0.00 H new ATOM 0 HA LEU A 67 1.684 -5.786 -1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.358 -5.054 -0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.870 -4.159 0.188 1.00 0.00 H new ATOM 0 HG LEU A 67 3.541 -6.944 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.021 -5.970 3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.333 -5.089 2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.692 -4.403 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.245 -7.070 2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.845 -5.547 1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.261 -6.994 0.261 1.00 0.00 H new ATOM 990 N LEU A 68 4.190 -4.745 -3.094 1.00 0.00 N ATOM 991 CA LEU A 68 4.586 -3.814 -4.146 1.00 0.00 C ATOM 992 C LEU A 68 3.818 -4.089 -5.434 1.00 0.00 C ATOM 993 O LEU A 68 3.207 -3.189 -6.010 1.00 0.00 O ATOM 994 CB LEU A 68 6.091 -3.915 -4.403 1.00 0.00 C ATOM 995 CG LEU A 68 6.711 -2.776 -5.213 1.00 0.00 C ATOM 996 CD1 LEU A 68 7.010 -1.584 -4.317 1.00 0.00 C ATOM 997 CD2 LEU A 68 7.975 -3.248 -5.916 1.00 0.00 C ATOM 0 H LEU A 68 4.853 -5.503 -2.930 1.00 0.00 H new ATOM 0 HA LEU A 68 4.348 -2.804 -3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.601 -3.970 -3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.289 -4.853 -4.922 1.00 0.00 H new ATOM 0 HG LEU A 68 5.993 -2.463 -5.971 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.451 -0.784 -4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.085 -1.230 -3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.709 -1.883 -3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.403 -2.424 -6.488 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.698 -3.589 -5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.731 -4.069 -6.590 1.00 0.00 H new ATOM 1009 N CYS A 69 3.852 -5.340 -5.881 1.00 0.00 N ATOM 1010 CA CYS A 69 3.159 -5.736 -7.101 1.00 0.00 C ATOM 1011 C CYS A 69 1.721 -5.225 -7.099 1.00 0.00 C ATOM 1012 O CYS A 69 1.247 -4.668 -8.091 1.00 0.00 O ATOM 1013 CB CYS A 69 3.170 -7.259 -7.247 1.00 0.00 C ATOM 1014 SG CYS A 69 4.772 -7.943 -7.781 1.00 0.00 S ATOM 0 H CYS A 69 4.353 -6.097 -5.416 1.00 0.00 H new ATOM 0 HA CYS A 69 3.683 -5.293 -7.948 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.896 -7.707 -6.292 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.405 -7.550 -7.967 1.00 0.00 H new ATOM 0 HG CYS A 69 4.955 -7.686 -9.042 1.00 0.00 H new ATOM 1019 N LEU A 70 1.032 -5.418 -5.980 1.00 0.00 N ATOM 1020 CA LEU A 70 -0.352 -4.977 -5.848 1.00 0.00 C ATOM 1021 C LEU A 70 -0.481 -3.488 -6.156 1.00 0.00 C ATOM 1022 O LEU A 70 -1.386 -3.069 -6.879 1.00 0.00 O ATOM 1023 CB LEU A 70 -0.868 -5.264 -4.437 1.00 0.00 C ATOM 1024 CG LEU A 70 -0.915 -6.736 -4.026 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -1.011 -6.865 -2.514 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.084 -7.440 -4.699 1.00 0.00 C ATOM 0 H LEU A 70 1.409 -5.877 -5.151 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.954 -5.532 -6.568 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.239 -4.729 -3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.873 -4.850 -4.348 1.00 0.00 H new ATOM 0 HG LEU A 70 0.008 -7.215 -4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.043 -7.920 -2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.141 -6.397 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.917 -6.371 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.102 -8.487 -4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.017 -6.960 -4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.972 -7.378 -5.781 1.00 0.00 H new ATOM 1038 N LEU A 71 0.431 -2.695 -5.605 1.00 0.00 N ATOM 1039 CA LEU A 71 0.421 -1.252 -5.823 1.00 0.00 C ATOM 1040 C LEU A 71 0.438 -0.926 -7.313 1.00 0.00 C ATOM 1041 O LEU A 71 -0.276 -0.035 -7.771 1.00 0.00 O ATOM 1042 CB LEU A 71 1.624 -0.605 -5.134 1.00 0.00 C ATOM 1043 CG LEU A 71 1.948 0.828 -5.556 1.00 0.00 C ATOM 1044 CD1 LEU A 71 0.923 1.797 -4.988 1.00 0.00 C ATOM 1045 CD2 LEU A 71 3.352 1.211 -5.110 1.00 0.00 C ATOM 0 H LEU A 71 1.186 -3.026 -5.005 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.496 -0.850 -5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.450 -0.615 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.501 -1.225 -5.321 1.00 0.00 H new ATOM 0 HG LEU A 71 1.906 0.884 -6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.170 2.812 -5.299 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.069 1.536 -5.358 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.931 1.739 -3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.565 2.234 -5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.422 1.138 -4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.076 0.536 -5.567 1.00 0.00 H new ATOM 1057 N ALA A 72 1.257 -1.656 -8.064 1.00 0.00 N ATOM 1058 CA ALA A 72 1.363 -1.447 -9.502 1.00 0.00 C ATOM 1059 C ALA A 72 0.029 -1.703 -10.195 1.00 0.00 C ATOM 1060 O ALA A 72 -0.487 -0.842 -10.906 1.00 0.00 O ATOM 1061 CB ALA A 72 2.444 -2.344 -10.088 1.00 0.00 C ATOM 0 H ALA A 72 1.856 -2.397 -7.700 1.00 0.00 H new ATOM 0 HA ALA A 72 1.637 -0.406 -9.673 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.512 -2.177 -11.163 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.402 -2.111 -9.623 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.193 -3.388 -9.898 1.00 0.00 H new ATOM 1067 N MET A 73 -0.525 -2.892 -9.981 1.00 0.00 N ATOM 1068 CA MET A 73 -1.800 -3.261 -10.585 1.00 0.00 C ATOM 1069 C MET A 73 -2.867 -2.214 -10.282 1.00 0.00 C ATOM 1070 O MET A 73 -3.753 -1.962 -11.099 1.00 0.00 O ATOM 1071 CB MET A 73 -2.253 -4.630 -10.076 1.00 0.00 C ATOM 1072 CG MET A 73 -3.395 -5.230 -10.880 1.00 0.00 C ATOM 1073 SD MET A 73 -5.014 -4.718 -10.276 1.00 0.00 S ATOM 1074 CE MET A 73 -5.077 -5.576 -8.705 1.00 0.00 C ATOM 0 H MET A 73 -0.111 -3.616 -9.394 1.00 0.00 H new ATOM 0 HA MET A 73 -1.661 -3.312 -11.665 1.00 0.00 H new ATOM 0 HB2 MET A 73 -1.405 -5.315 -10.097 1.00 0.00 H new ATOM 0 HB3 MET A 73 -2.562 -4.537 -9.035 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.292 -4.937 -11.925 1.00 0.00 H new ATOM 0 HG3 MET A 73 -3.326 -6.317 -10.846 1.00 0.00 H new ATOM 0 HE1 MET A 73 -5.869 -5.149 -8.089 1.00 0.00 H new ATOM 0 HE2 MET A 73 -5.280 -6.633 -8.876 1.00 0.00 H new ATOM 0 HE3 MET A 73 -4.121 -5.468 -8.193 1.00 0.00 H new ATOM 1084 N TYR A 74 -2.777 -1.608 -9.103 1.00 0.00 N ATOM 1085 CA TYR A 74 -3.737 -0.591 -8.692 1.00 0.00 C ATOM 1086 C TYR A 74 -3.466 0.733 -9.400 1.00 0.00 C ATOM 1087 O TYR A 74 -4.394 1.445 -9.786 1.00 0.00 O ATOM 1088 CB TYR A 74 -3.683 -0.391 -7.176 1.00 0.00 C ATOM 1089 CG TYR A 74 -4.267 0.926 -6.717 1.00 0.00 C ATOM 1090 CD1 TYR A 74 -3.655 2.130 -7.042 1.00 0.00 C ATOM 1091 CD2 TYR A 74 -5.431 0.965 -5.960 1.00 0.00 C ATOM 1092 CE1 TYR A 74 -4.185 3.336 -6.624 1.00 0.00 C ATOM 1093 CE2 TYR A 74 -5.969 2.166 -5.539 1.00 0.00 C ATOM 1094 CZ TYR A 74 -5.342 3.348 -5.873 1.00 0.00 C ATOM 1095 OH TYR A 74 -5.874 4.547 -5.456 1.00 0.00 O ATOM 0 H TYR A 74 -2.049 -1.804 -8.416 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.733 -0.935 -8.972 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.221 -1.206 -6.691 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.646 -0.453 -6.847 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.750 2.124 -7.631 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.924 0.041 -5.696 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.696 4.263 -6.884 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.875 2.179 -4.952 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.654 5.246 -6.107 1.00 0.00 H new ATOM 1105 N CYS A 75 -2.188 1.055 -9.569 1.00 0.00 N ATOM 1106 CA CYS A 75 -1.793 2.293 -10.231 1.00 0.00 C ATOM 1107 C CYS A 75 -2.013 2.198 -11.737 1.00 0.00 C ATOM 1108 O CYS A 75 -2.225 3.207 -12.408 1.00 0.00 O ATOM 1109 CB CYS A 75 -0.325 2.607 -9.936 1.00 0.00 C ATOM 1110 SG CYS A 75 0.846 1.700 -10.974 1.00 0.00 S ATOM 0 H CYS A 75 -1.408 0.476 -9.257 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.415 3.099 -9.842 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -0.159 3.676 -10.069 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -0.119 2.380 -8.890 1.00 0.00 H new ATOM 0 HG CYS A 75 0.340 0.546 -11.293 1.00 0.00 H new ATOM 1185 N GLY A 81 -9.014 4.432 -5.346 1.00 0.00 N ATOM 1186 CA GLY A 81 -8.822 3.879 -4.018 1.00 0.00 C ATOM 1187 C GLY A 81 -9.433 2.500 -3.870 1.00 0.00 C ATOM 1188 O GLY A 81 -10.123 2.221 -2.890 1.00 0.00 O ATOM 0 HA2 GLY A 81 -7.755 3.825 -3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.264 4.550 -3.281 1.00 0.00 H new ATOM 1192 N SER A 82 -9.181 1.635 -4.847 1.00 0.00 N ATOM 1193 CA SER A 82 -9.716 0.279 -4.825 1.00 0.00 C ATOM 1194 C SER A 82 -8.673 -0.725 -5.307 1.00 0.00 C ATOM 1195 O SER A 82 -8.055 -0.539 -6.356 1.00 0.00 O ATOM 1196 CB SER A 82 -10.970 0.188 -5.696 1.00 0.00 C ATOM 1197 OG SER A 82 -10.666 0.451 -7.055 1.00 0.00 O ATOM 0 H SER A 82 -8.609 1.849 -5.664 1.00 0.00 H new ATOM 0 HA SER A 82 -9.980 0.036 -3.796 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.410 -0.805 -5.604 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.715 0.900 -5.342 1.00 0.00 H new ATOM 0 HG SER A 82 -9.748 0.167 -7.246 1.00 0.00 H new ATOM 1203 N LEU A 83 -8.483 -1.788 -4.534 1.00 0.00 N ATOM 1204 CA LEU A 83 -7.515 -2.823 -4.881 1.00 0.00 C ATOM 1205 C LEU A 83 -8.193 -4.184 -5.006 1.00 0.00 C ATOM 1206 O LEU A 83 -8.804 -4.672 -4.056 1.00 0.00 O ATOM 1207 CB LEU A 83 -6.407 -2.887 -3.828 1.00 0.00 C ATOM 1208 CG LEU A 83 -5.198 -3.756 -4.177 1.00 0.00 C ATOM 1209 CD1 LEU A 83 -5.635 -5.180 -4.482 1.00 0.00 C ATOM 1210 CD2 LEU A 83 -4.440 -3.165 -5.357 1.00 0.00 C ATOM 0 H LEU A 83 -8.986 -1.956 -3.663 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.077 -2.566 -5.845 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.057 -1.873 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.838 -3.257 -2.898 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.530 -3.779 -3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.762 -5.784 -4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.134 -5.602 -3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.323 -5.176 -5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.583 -3.796 -5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.099 -3.112 -6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.094 -2.163 -5.102 1.00 0.00 H new ATOM 1222 N GLN A 84 -8.078 -4.791 -6.183 1.00 0.00 N ATOM 1223 CA GLN A 84 -8.679 -6.096 -6.430 1.00 0.00 C ATOM 1224 C GLN A 84 -7.620 -7.193 -6.423 1.00 0.00 C ATOM 1225 O GLN A 84 -6.473 -6.966 -6.809 1.00 0.00 O ATOM 1226 CB GLN A 84 -9.420 -6.094 -7.768 1.00 0.00 C ATOM 1227 CG GLN A 84 -10.308 -7.311 -7.974 1.00 0.00 C ATOM 1228 CD GLN A 84 -10.706 -7.505 -9.424 1.00 0.00 C ATOM 1229 OE1 GLN A 84 -10.229 -6.796 -10.311 1.00 0.00 O ATOM 1230 NE2 GLN A 84 -11.585 -8.468 -9.673 1.00 0.00 N ATOM 0 H GLN A 84 -7.575 -4.400 -6.980 1.00 0.00 H new ATOM 0 HA GLN A 84 -9.390 -6.298 -5.629 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.031 -5.194 -7.834 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.691 -6.045 -8.577 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -9.786 -8.201 -7.623 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.206 -7.208 -7.365 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.955 -9.032 -8.907 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.891 -8.644 -10.630 1.00 0.00 H new ATOM 1239 N CYS A 85 -8.012 -8.384 -5.983 1.00 0.00 N ATOM 1240 CA CYS A 85 -7.097 -9.517 -5.925 1.00 0.00 C ATOM 1241 C CYS A 85 -7.121 -10.304 -7.232 1.00 0.00 C ATOM 1242 O CYS A 85 -8.152 -10.832 -7.648 1.00 0.00 O ATOM 1243 CB CYS A 85 -7.463 -10.436 -4.757 1.00 0.00 C ATOM 1244 SG CYS A 85 -6.169 -11.644 -4.328 1.00 0.00 S ATOM 0 H CYS A 85 -8.958 -8.589 -5.661 1.00 0.00 H new ATOM 0 HA CYS A 85 -6.089 -9.130 -5.773 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -7.679 -9.824 -3.881 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.379 -10.973 -5.004 1.00 0.00 H new ATOM 0 HG CYS A 85 -6.467 -12.217 -3.200 1.00 0.00 H new ATOM 1249 N PRO A 86 -5.958 -10.384 -7.896 1.00 0.00 N ATOM 1250 CA PRO A 86 -5.819 -11.104 -9.165 1.00 0.00 C ATOM 1251 C PRO A 86 -5.936 -12.615 -8.990 1.00 0.00 C ATOM 1252 O PRO A 86 -5.777 -13.374 -9.946 1.00 0.00 O ATOM 1253 CB PRO A 86 -4.412 -10.728 -9.634 1.00 0.00 C ATOM 1254 CG PRO A 86 -3.674 -10.388 -8.385 1.00 0.00 C ATOM 1255 CD PRO A 86 -4.689 -9.778 -7.458 1.00 0.00 C ATOM 0 HA PRO A 86 -6.604 -10.838 -9.873 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.937 -11.555 -10.162 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.437 -9.883 -10.322 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.226 -11.277 -7.942 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.862 -9.690 -8.589 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.472 -10.010 -6.415 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.711 -8.692 -7.545 1.00 0.00 H new ATOM 1263 N SER A 87 -6.216 -13.044 -7.764 1.00 0.00 N ATOM 1264 CA SER A 87 -6.351 -14.464 -7.463 1.00 0.00 C ATOM 1265 C SER A 87 -7.821 -14.859 -7.356 1.00 0.00 C ATOM 1266 O SER A 87 -8.291 -15.747 -8.068 1.00 0.00 O ATOM 1267 CB SER A 87 -5.624 -14.803 -6.161 1.00 0.00 C ATOM 1268 OG SER A 87 -5.629 -16.200 -5.922 1.00 0.00 O ATOM 0 H SER A 87 -6.354 -12.428 -6.963 1.00 0.00 H new ATOM 0 HA SER A 87 -5.900 -15.028 -8.280 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.596 -14.443 -6.211 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.103 -14.287 -5.329 1.00 0.00 H new ATOM 0 HG SER A 87 -5.302 -16.378 -5.016 1.00 0.00 H new ATOM 1274 N CYS A 88 -8.542 -14.193 -6.460 1.00 0.00 N ATOM 1275 CA CYS A 88 -9.958 -14.473 -6.257 1.00 0.00 C ATOM 1276 C CYS A 88 -10.818 -13.311 -6.744 1.00 0.00 C ATOM 1277 O CYS A 88 -11.996 -13.208 -6.401 1.00 0.00 O ATOM 1278 CB CYS A 88 -10.239 -14.744 -4.778 1.00 0.00 C ATOM 1279 SG CYS A 88 -9.693 -13.412 -3.661 1.00 0.00 S ATOM 0 H CYS A 88 -8.168 -13.455 -5.863 1.00 0.00 H new ATOM 0 HA CYS A 88 -10.214 -15.360 -6.837 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -11.310 -14.899 -4.645 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -9.744 -15.671 -4.489 1.00 0.00 H new ATOM 0 HG CYS A 88 -8.717 -13.842 -2.918 1.00 0.00 H new ATOM 1284 N LYS A 89 -10.221 -12.437 -7.547 1.00 0.00 N ATOM 1285 CA LYS A 89 -10.930 -11.281 -8.085 1.00 0.00 C ATOM 1286 C LYS A 89 -11.860 -10.678 -7.037 1.00 0.00 C ATOM 1287 O LYS A 89 -13.019 -10.375 -7.321 1.00 0.00 O ATOM 1288 CB LYS A 89 -11.733 -11.681 -9.325 1.00 0.00 C ATOM 1289 CG LYS A 89 -10.871 -11.959 -10.544 1.00 0.00 C ATOM 1290 CD LYS A 89 -10.170 -13.303 -10.436 1.00 0.00 C ATOM 1291 CE LYS A 89 -9.363 -13.613 -11.688 1.00 0.00 C ATOM 1292 NZ LYS A 89 -10.227 -14.105 -12.797 1.00 0.00 N ATOM 0 H LYS A 89 -9.247 -12.507 -7.840 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.191 -10.530 -8.365 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.321 -12.570 -9.096 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.438 -10.885 -9.563 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.491 -11.942 -11.441 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.129 -11.168 -10.654 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.511 -13.302 -9.568 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.909 -14.088 -10.274 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.834 -12.716 -12.010 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.607 -14.363 -11.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.640 -14.305 -13.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.713 -14.975 -12.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.932 -13.379 -13.036 1.00 0.00 H new ATOM 1306 N THR A 90 -11.345 -10.506 -5.823 1.00 0.00 N ATOM 1307 CA THR A 90 -12.129 -9.939 -4.733 1.00 0.00 C ATOM 1308 C THR A 90 -11.838 -8.452 -4.562 1.00 0.00 C ATOM 1309 O THR A 90 -10.763 -8.070 -4.099 1.00 0.00 O ATOM 1310 CB THR A 90 -11.846 -10.662 -3.403 1.00 0.00 C ATOM 1311 OG1 THR A 90 -12.225 -12.039 -3.504 1.00 0.00 O ATOM 1312 CG2 THR A 90 -12.604 -10.005 -2.259 1.00 0.00 C ATOM 0 H THR A 90 -10.388 -10.752 -5.570 1.00 0.00 H new ATOM 0 HA THR A 90 -13.178 -10.073 -4.995 1.00 0.00 H new ATOM 0 HB THR A 90 -10.778 -10.594 -3.197 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.448 -12.573 -3.771 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.389 -10.532 -1.330 1.00 0.00 H new ATOM 0 HG22 THR A 90 -12.293 -8.965 -2.166 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.674 -10.047 -2.460 1.00 0.00 H new ATOM 1320 N ILE A 91 -12.801 -7.618 -4.938 1.00 0.00 N ATOM 1321 CA ILE A 91 -12.648 -6.173 -4.824 1.00 0.00 C ATOM 1322 C ILE A 91 -12.716 -5.727 -3.368 1.00 0.00 C ATOM 1323 O ILE A 91 -13.548 -6.208 -2.598 1.00 0.00 O ATOM 1324 CB ILE A 91 -13.729 -5.427 -5.629 1.00 0.00 C ATOM 1325 CG1 ILE A 91 -13.650 -5.811 -7.108 1.00 0.00 C ATOM 1326 CG2 ILE A 91 -13.574 -3.924 -5.457 1.00 0.00 C ATOM 1327 CD1 ILE A 91 -14.963 -5.659 -7.843 1.00 0.00 C ATOM 0 H ILE A 91 -13.696 -7.918 -5.324 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.668 -5.926 -5.232 1.00 0.00 H new ATOM 0 HB ILE A 91 -14.709 -5.717 -5.250 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -12.896 -5.193 -7.596 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -13.315 -6.845 -7.189 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.345 -3.411 -6.032 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -13.675 -3.666 -4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -12.591 -3.617 -5.813 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -14.832 -5.949 -8.886 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -15.715 -6.298 -7.380 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -15.290 -4.620 -7.793 1.00 0.00 H new ATOM 1339 N TYR A 92 -11.837 -4.803 -2.997 1.00 0.00 N ATOM 1340 CA TYR A 92 -11.796 -4.291 -1.632 1.00 0.00 C ATOM 1341 C TYR A 92 -12.325 -2.861 -1.570 1.00 0.00 C ATOM 1342 O TYR A 92 -13.129 -2.521 -0.703 1.00 0.00 O ATOM 1343 CB TYR A 92 -10.367 -4.342 -1.088 1.00 0.00 C ATOM 1344 CG TYR A 92 -9.873 -5.744 -0.814 1.00 0.00 C ATOM 1345 CD1 TYR A 92 -9.721 -6.662 -1.846 1.00 0.00 C ATOM 1346 CD2 TYR A 92 -9.560 -6.151 0.477 1.00 0.00 C ATOM 1347 CE1 TYR A 92 -9.270 -7.945 -1.600 1.00 0.00 C ATOM 1348 CE2 TYR A 92 -9.107 -7.431 0.732 1.00 0.00 C ATOM 1349 CZ TYR A 92 -8.964 -8.324 -0.310 1.00 0.00 C ATOM 1350 OH TYR A 92 -8.515 -9.601 -0.060 1.00 0.00 O ATOM 0 H TYR A 92 -11.143 -4.393 -3.622 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.435 -4.923 -1.015 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.698 -3.863 -1.803 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -10.317 -3.762 -0.167 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.959 -6.368 -2.857 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.673 -5.455 1.295 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.158 -8.647 -2.413 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.866 -7.731 1.741 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.569 -10.133 -0.881 1.00 0.00 H new