USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 449 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 26 CYS SG : rot 116:sc= 0.327 USER MOD Set 1.2: A 28 HIS : no HD1:sc= -12.3! C(o=-16!,f=-19!) USER MOD Set 1.3: A 46 CYS SG : rot 132:sc= -1.65! USER MOD Set 1.4: A 49 CYS SG : rot -65:sc= -0.663 USER MOD Set 1.5: A 51 THR OG1 : rot 103:sc= -2.07! USER MOD Set 2.1: A 24 ASN : amide:sc= -6.99! C(o=-18!,f=-31!) USER MOD Set 2.2: A 57 ASN : amide:sc= -10.7! C(o=-18!,f=-27!) USER MOD Set 3.1: A 12 THR OG1 : rot 104:sc= -2.53! USER MOD Set 3.2: A 16 ASN : amide:sc= -0.024 K(o=-3,f=-4.4) USER MOD Set 3.3: A 33 SER OG : rot -170:sc= -0.433 USER MOD Set 4.1: A 6 CYS SG : rot 60:sc= -10.2! USER MOD Set 4.2: A 9 CYS SG : rot -161:sc= -1.67! USER MOD Set 4.3: A 31 CYS SG : rot -78:sc= -8.66! USER MOD Set 4.4: A 34 CYS SG : rot 18:sc= -6.96! USER MOD Single : A 10 LYS NZ :NH3+ -163:sc= -0.118 (180deg=-0.634) USER MOD Single : A 11 THR OG1 : rot 180:sc= -5.17! USER MOD Single : A 13 LYS NZ :NH3+ 177:sc= -1.32 (180deg=-1.34) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -177:sc= -2.64 (180deg=-2.82) USER MOD Single : A 29 THR OG1 : rot -6:sc= 0.433 USER MOD Single : A 45 ASN : amide:sc= -2.95! C(o=-2.9!,f=-3.7!) USER MOD Single : A 55 LYS NZ :NH3+ -135:sc= -0.357 (180deg=-1.79!) USER MOD Single : A 56 SER OG : rot 180:sc= -1.43! USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 5 -8.847 -6.634 -2.302 1.00 0.00 N ATOM 62 CA GLY A 5 -7.832 -5.755 -2.944 1.00 0.00 C ATOM 63 C GLY A 5 -6.793 -5.306 -1.916 1.00 0.00 C ATOM 64 O GLY A 5 -5.912 -6.054 -1.541 1.00 0.00 O ATOM 0 HA2 GLY A 5 -7.341 -6.289 -3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -8.320 -4.884 -3.382 1.00 0.00 H new ATOM 68 N CYS A 6 -6.877 -4.082 -1.472 1.00 0.00 N ATOM 69 CA CYS A 6 -5.885 -3.574 -0.490 1.00 0.00 C ATOM 70 C CYS A 6 -5.670 -4.557 0.678 1.00 0.00 C ATOM 71 O CYS A 6 -6.614 -5.016 1.287 1.00 0.00 O ATOM 72 CB CYS A 6 -6.489 -2.272 0.043 1.00 0.00 C ATOM 73 SG CYS A 6 -5.676 -1.860 1.601 1.00 0.00 S ATOM 0 H CYS A 6 -7.594 -3.411 -1.750 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.911 -3.438 -0.959 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.353 -1.467 -0.680 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.562 -2.386 0.194 1.00 0.00 H new ATOM 0 HG CYS A 6 -4.400 -1.713 1.399 1.00 0.00 H new ATOM 78 N PRO A 7 -4.416 -4.790 0.980 1.00 0.00 N ATOM 79 CA PRO A 7 -4.040 -5.655 2.117 1.00 0.00 C ATOM 80 C PRO A 7 -3.861 -4.815 3.402 1.00 0.00 C ATOM 81 O PRO A 7 -4.228 -5.233 4.483 1.00 0.00 O ATOM 82 CB PRO A 7 -2.699 -6.228 1.678 1.00 0.00 C ATOM 83 CG PRO A 7 -2.126 -5.229 0.710 1.00 0.00 C ATOM 84 CD PRO A 7 -3.235 -4.298 0.274 1.00 0.00 C ATOM 0 HA PRO A 7 -4.788 -6.414 2.345 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.036 -6.371 2.531 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.825 -7.202 1.206 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.320 -4.665 1.179 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.698 -5.739 -0.153 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.014 -3.264 0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.377 -4.326 -0.806 1.00 0.00 H new ATOM 92 N ARG A 8 -3.276 -3.641 3.290 1.00 0.00 N ATOM 93 CA ARG A 8 -3.043 -2.778 4.499 1.00 0.00 C ATOM 94 C ARG A 8 -4.313 -2.018 4.907 1.00 0.00 C ATOM 95 O ARG A 8 -4.902 -2.276 5.938 1.00 0.00 O ATOM 96 CB ARG A 8 -1.963 -1.774 4.064 1.00 0.00 C ATOM 97 CG ARG A 8 -1.169 -1.285 5.272 1.00 0.00 C ATOM 98 CD ARG A 8 0.322 -1.318 4.941 1.00 0.00 C ATOM 99 NE ARG A 8 1.006 -0.911 6.203 1.00 0.00 N ATOM 100 CZ ARG A 8 0.634 0.171 6.833 1.00 0.00 C ATOM 101 NH1 ARG A 8 0.583 1.310 6.200 1.00 0.00 N ATOM 102 NH2 ARG A 8 0.309 0.110 8.095 1.00 0.00 N ATOM 0 H ARG A 8 -2.949 -3.242 2.410 1.00 0.00 H new ATOM 0 HA ARG A 8 -2.750 -3.380 5.359 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.291 -2.243 3.345 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.428 -0.927 3.560 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.473 -0.272 5.536 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.376 -1.915 6.137 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.635 -2.314 4.626 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.560 -0.636 4.125 1.00 0.00 H new ATOM 0 HE ARG A 8 1.767 -1.480 6.575 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.834 1.356 5.212 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.292 2.155 6.693 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.346 -0.782 8.589 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.018 0.954 8.588 1.00 0.00 H new ATOM 116 N CYS A 9 -4.722 -1.072 4.108 1.00 0.00 N ATOM 117 CA CYS A 9 -5.945 -0.266 4.448 1.00 0.00 C ATOM 118 C CYS A 9 -7.180 -0.766 3.696 1.00 0.00 C ATOM 119 O CYS A 9 -7.849 0.014 3.059 1.00 0.00 O ATOM 120 CB CYS A 9 -5.678 1.199 4.027 1.00 0.00 C ATOM 121 SG CYS A 9 -4.237 1.411 2.919 1.00 0.00 S ATOM 0 H CYS A 9 -4.267 -0.816 3.232 1.00 0.00 H new ATOM 0 HA CYS A 9 -6.138 -0.357 5.517 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -6.565 1.590 3.529 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -5.525 1.800 4.923 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.844 2.650 2.950 1.00 0.00 H new ATOM 126 N LYS A 10 -7.460 -2.055 3.738 1.00 0.00 N ATOM 127 CA LYS A 10 -8.640 -2.619 2.989 1.00 0.00 C ATOM 128 C LYS A 10 -9.731 -1.562 2.816 1.00 0.00 C ATOM 129 O LYS A 10 -10.636 -1.449 3.618 1.00 0.00 O ATOM 130 CB LYS A 10 -9.147 -3.768 3.862 1.00 0.00 C ATOM 131 CG LYS A 10 -9.642 -3.213 5.199 1.00 0.00 C ATOM 132 CD LYS A 10 -11.063 -3.712 5.465 1.00 0.00 C ATOM 133 CE LYS A 10 -11.011 -4.940 6.377 1.00 0.00 C ATOM 134 NZ LYS A 10 -10.564 -6.053 5.494 1.00 0.00 N ATOM 0 H LYS A 10 -6.919 -2.743 4.261 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.365 -2.949 1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.954 -4.296 3.354 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.349 -4.491 4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.978 -3.528 6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.625 -2.123 5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.655 -2.924 5.931 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.553 -3.965 4.525 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.318 -4.789 7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.987 -5.150 6.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.775 -6.964 5.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.065 -5.997 4.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.540 -5.977 5.331 1.00 0.00 H new ATOM 148 N THR A 11 -9.653 -0.753 1.797 1.00 0.00 N ATOM 149 CA THR A 11 -10.688 0.296 1.669 1.00 0.00 C ATOM 150 C THR A 11 -10.562 1.098 0.372 1.00 0.00 C ATOM 151 O THR A 11 -11.521 1.282 -0.327 1.00 0.00 O ATOM 152 CB THR A 11 -10.427 1.186 2.905 1.00 0.00 C ATOM 153 OG1 THR A 11 -11.655 1.455 3.559 1.00 0.00 O ATOM 154 CG2 THR A 11 -9.732 2.515 2.518 1.00 0.00 C ATOM 0 H THR A 11 -8.938 -0.773 1.070 1.00 0.00 H new ATOM 0 HA THR A 11 -11.695 -0.118 1.628 1.00 0.00 H new ATOM 0 HB THR A 11 -9.758 0.648 3.576 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.491 2.018 4.344 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.566 3.113 3.414 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.775 2.300 2.042 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.366 3.069 1.825 1.00 0.00 H new ATOM 162 N THR A 12 -9.408 1.633 0.094 1.00 0.00 N ATOM 163 CA THR A 12 -9.248 2.497 -1.107 1.00 0.00 C ATOM 164 C THR A 12 -10.142 2.039 -2.286 1.00 0.00 C ATOM 165 O THR A 12 -11.062 2.728 -2.647 1.00 0.00 O ATOM 166 CB THR A 12 -7.743 2.481 -1.401 1.00 0.00 C ATOM 167 OG1 THR A 12 -7.380 3.696 -2.037 1.00 0.00 O ATOM 168 CG2 THR A 12 -7.387 1.316 -2.289 1.00 0.00 C ATOM 0 H THR A 12 -8.563 1.508 0.651 1.00 0.00 H new ATOM 0 HA THR A 12 -9.590 3.518 -0.939 1.00 0.00 H new ATOM 0 HB THR A 12 -7.200 2.377 -0.462 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.918 4.276 -1.396 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.315 1.323 -2.486 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.659 0.384 -1.793 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.929 1.398 -3.231 1.00 0.00 H new ATOM 176 N LYS A 13 -9.937 0.907 -2.886 1.00 0.00 N ATOM 177 CA LYS A 13 -10.843 0.522 -3.997 1.00 0.00 C ATOM 178 C LYS A 13 -12.279 0.425 -3.467 1.00 0.00 C ATOM 179 O LYS A 13 -13.230 0.689 -4.175 1.00 0.00 O ATOM 180 CB LYS A 13 -10.293 -0.812 -4.484 1.00 0.00 C ATOM 181 CG LYS A 13 -10.700 -1.935 -3.528 1.00 0.00 C ATOM 182 CD LYS A 13 -9.780 -1.899 -2.311 1.00 0.00 C ATOM 183 CE LYS A 13 -9.892 -3.219 -1.544 1.00 0.00 C ATOM 184 NZ LYS A 13 -11.254 -3.197 -0.941 1.00 0.00 N ATOM 0 H LYS A 13 -9.197 0.242 -2.663 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.880 1.241 -4.816 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.668 -1.024 -5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.206 -0.761 -4.555 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.738 -1.812 -3.220 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.628 -2.901 -4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.749 -1.736 -2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.050 -1.066 -1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.768 -4.074 -2.209 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.121 -3.297 -0.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.426 -4.092 -0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.324 -2.406 -0.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.964 -3.078 -1.692 1.00 0.00 H new ATOM 198 N TYR A 14 -12.438 0.094 -2.211 1.00 0.00 N ATOM 199 CA TYR A 14 -13.806 0.036 -1.616 1.00 0.00 C ATOM 200 C TYR A 14 -14.299 1.477 -1.432 1.00 0.00 C ATOM 201 O TYR A 14 -15.432 1.813 -1.714 1.00 0.00 O ATOM 202 CB TYR A 14 -13.628 -0.688 -0.269 1.00 0.00 C ATOM 203 CG TYR A 14 -14.981 -1.088 0.275 1.00 0.00 C ATOM 204 CD1 TYR A 14 -15.968 -0.118 0.495 1.00 0.00 C ATOM 205 CD2 TYR A 14 -15.247 -2.432 0.560 1.00 0.00 C ATOM 206 CE1 TYR A 14 -17.219 -0.495 0.999 1.00 0.00 C ATOM 207 CE2 TYR A 14 -16.498 -2.808 1.064 1.00 0.00 C ATOM 208 CZ TYR A 14 -17.484 -1.840 1.283 1.00 0.00 C ATOM 209 OH TYR A 14 -18.718 -2.209 1.778 1.00 0.00 O ATOM 0 H TYR A 14 -11.678 -0.139 -1.572 1.00 0.00 H new ATOM 0 HA TYR A 14 -14.538 -0.487 -2.231 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -13.002 -1.571 -0.399 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -13.118 -0.037 0.441 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -15.764 0.920 0.276 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -14.487 -3.180 0.391 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -17.980 0.252 1.169 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -16.702 -3.846 1.284 1.00 0.00 H new ATOM 0 HH TYR A 14 -18.737 -3.179 1.920 1.00 0.00 H new ATOM 219 N ARG A 15 -13.414 2.324 -0.996 1.00 0.00 N ATOM 220 CA ARG A 15 -13.720 3.765 -0.806 1.00 0.00 C ATOM 221 C ARG A 15 -13.440 4.483 -2.116 1.00 0.00 C ATOM 222 O ARG A 15 -14.321 4.745 -2.913 1.00 0.00 O ATOM 223 CB ARG A 15 -12.700 4.194 0.237 1.00 0.00 C ATOM 224 CG ARG A 15 -13.397 4.439 1.564 1.00 0.00 C ATOM 225 CD ARG A 15 -13.008 3.311 2.510 1.00 0.00 C ATOM 226 NE ARG A 15 -13.508 2.065 1.856 1.00 0.00 N ATOM 227 CZ ARG A 15 -14.556 1.457 2.336 1.00 0.00 C ATOM 228 NH1 ARG A 15 -15.716 2.056 2.341 1.00 0.00 N ATOM 229 NH2 ARG A 15 -14.447 0.246 2.814 1.00 0.00 N ATOM 0 H ARG A 15 -12.457 2.066 -0.755 1.00 0.00 H new ATOM 0 HA ARG A 15 -14.748 3.974 -0.511 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -11.938 3.424 0.352 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -12.190 5.100 -0.090 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -13.102 5.403 1.978 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -14.478 4.468 1.428 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.928 3.274 2.656 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -13.458 3.448 3.493 1.00 0.00 H new ATOM 0 HE ARG A 15 -13.031 1.691 1.036 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -15.803 3.002 1.969 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -16.535 1.578 2.717 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.542 -0.224 2.812 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.267 -0.230 3.190 1.00 0.00 H new ATOM 243 N ASN A 16 -12.188 4.730 -2.361 1.00 0.00 N ATOM 244 CA ASN A 16 -11.771 5.350 -3.632 1.00 0.00 C ATOM 245 C ASN A 16 -12.319 4.469 -4.765 1.00 0.00 C ATOM 246 O ASN A 16 -12.126 3.270 -4.752 1.00 0.00 O ATOM 247 CB ASN A 16 -10.242 5.256 -3.592 1.00 0.00 C ATOM 248 CG ASN A 16 -9.601 6.476 -2.957 1.00 0.00 C ATOM 249 OD1 ASN A 16 -10.269 7.360 -2.456 1.00 0.00 O ATOM 250 ND2 ASN A 16 -8.297 6.546 -2.970 1.00 0.00 N ATOM 0 H ASN A 16 -11.425 4.522 -1.717 1.00 0.00 H new ATOM 0 HA ASN A 16 -12.118 6.373 -3.778 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -9.950 4.365 -3.035 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -9.862 5.137 -4.607 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.825 7.350 -2.556 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.750 5.797 -3.394 1.00 0.00 H new ATOM 257 N PRO A 17 -13.011 5.053 -5.693 1.00 0.00 N ATOM 258 CA PRO A 17 -13.571 4.268 -6.803 1.00 0.00 C ATOM 259 C PRO A 17 -12.689 4.355 -8.053 1.00 0.00 C ATOM 260 O PRO A 17 -12.905 3.651 -9.019 1.00 0.00 O ATOM 261 CB PRO A 17 -14.900 4.975 -7.046 1.00 0.00 C ATOM 262 CG PRO A 17 -14.701 6.392 -6.550 1.00 0.00 C ATOM 263 CD PRO A 17 -13.380 6.453 -5.805 1.00 0.00 C ATOM 0 HA PRO A 17 -13.657 3.204 -6.581 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -15.163 4.963 -8.104 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.711 4.482 -6.510 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.698 7.091 -7.387 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -15.521 6.684 -5.894 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -12.632 7.026 -6.353 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -13.488 6.923 -4.827 1.00 0.00 H new ATOM 271 N SER A 18 -11.712 5.217 -8.059 1.00 0.00 N ATOM 272 CA SER A 18 -10.848 5.338 -9.269 1.00 0.00 C ATOM 273 C SER A 18 -9.394 4.993 -8.944 1.00 0.00 C ATOM 274 O SER A 18 -8.526 5.841 -8.979 1.00 0.00 O ATOM 275 CB SER A 18 -10.967 6.802 -9.692 1.00 0.00 C ATOM 276 OG SER A 18 -12.143 6.969 -10.473 1.00 0.00 O ATOM 0 H SER A 18 -11.474 5.839 -7.286 1.00 0.00 H new ATOM 0 HA SER A 18 -11.158 4.651 -10.057 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.006 7.445 -8.813 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.090 7.100 -10.266 1.00 0.00 H new ATOM 0 HG SER A 18 -12.224 7.907 -10.745 1.00 0.00 H new ATOM 282 N LEU A 19 -9.116 3.756 -8.636 1.00 0.00 N ATOM 283 CA LEU A 19 -7.707 3.379 -8.322 1.00 0.00 C ATOM 284 C LEU A 19 -7.449 1.905 -8.630 1.00 0.00 C ATOM 285 O LEU A 19 -8.208 1.263 -9.330 1.00 0.00 O ATOM 286 CB LEU A 19 -7.540 3.667 -6.824 1.00 0.00 C ATOM 287 CG LEU A 19 -8.471 2.809 -5.919 1.00 0.00 C ATOM 288 CD1 LEU A 19 -9.859 3.407 -5.936 1.00 0.00 C ATOM 289 CD2 LEU A 19 -8.608 1.347 -6.355 1.00 0.00 C ATOM 0 H LEU A 19 -9.795 2.996 -8.588 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.994 3.940 -8.926 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.503 3.485 -6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.740 4.723 -6.641 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.010 2.817 -4.931 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.519 2.812 -5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.820 4.429 -5.559 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.241 3.411 -6.957 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.274 0.824 -5.669 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.020 1.305 -7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.628 0.870 -6.343 1.00 0.00 H new ATOM 301 N LYS A 20 -6.422 1.343 -8.050 1.00 0.00 N ATOM 302 CA LYS A 20 -6.166 -0.110 -8.244 1.00 0.00 C ATOM 303 C LYS A 20 -5.176 -0.620 -7.196 1.00 0.00 C ATOM 304 O LYS A 20 -5.272 -0.292 -6.031 1.00 0.00 O ATOM 305 CB LYS A 20 -5.610 -0.267 -9.654 1.00 0.00 C ATOM 306 CG LYS A 20 -5.979 -1.660 -10.173 1.00 0.00 C ATOM 307 CD LYS A 20 -6.972 -1.530 -11.329 1.00 0.00 C ATOM 308 CE LYS A 20 -8.401 -1.555 -10.781 1.00 0.00 C ATOM 309 NZ LYS A 20 -9.259 -1.168 -11.935 1.00 0.00 N ATOM 0 H LYS A 20 -5.752 1.827 -7.452 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.078 -0.696 -8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.019 0.502 -10.310 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.528 -0.139 -9.650 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.083 -2.184 -10.507 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.415 -2.254 -9.370 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.795 -0.601 -11.871 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.829 -2.345 -12.038 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.664 -2.545 -10.407 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.518 -0.859 -9.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.256 -1.162 -11.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.990 -0.219 -12.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.131 -1.852 -12.708 1.00 0.00 H new ATOM 323 N LEU A 21 -4.238 -1.437 -7.581 1.00 0.00 N ATOM 324 CA LEU A 21 -3.286 -1.965 -6.561 1.00 0.00 C ATOM 325 C LEU A 21 -1.882 -2.130 -7.145 1.00 0.00 C ATOM 326 O LEU A 21 -1.705 -2.669 -8.219 1.00 0.00 O ATOM 327 CB LEU A 21 -3.865 -3.330 -6.172 1.00 0.00 C ATOM 328 CG LEU A 21 -4.416 -3.286 -4.741 1.00 0.00 C ATOM 329 CD1 LEU A 21 -5.652 -2.381 -4.681 1.00 0.00 C ATOM 330 CD2 LEU A 21 -4.809 -4.699 -4.310 1.00 0.00 C ATOM 0 H LEU A 21 -4.088 -1.758 -8.537 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.183 -1.290 -5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.658 -3.607 -6.866 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.093 -4.095 -6.248 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.649 -2.891 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.036 -2.356 -3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.380 -1.372 -4.991 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.421 -2.770 -5.349 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.201 -4.673 -3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.573 -5.086 -4.984 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.933 -5.347 -4.345 1.00 0.00 H new ATOM 342 N MET A 22 -0.880 -1.689 -6.431 1.00 0.00 N ATOM 343 CA MET A 22 0.512 -1.848 -6.939 1.00 0.00 C ATOM 344 C MET A 22 1.180 -3.017 -6.217 1.00 0.00 C ATOM 345 O MET A 22 0.658 -3.541 -5.254 1.00 0.00 O ATOM 346 CB MET A 22 1.270 -0.531 -6.650 1.00 0.00 C ATOM 347 CG MET A 22 0.316 0.600 -6.236 1.00 0.00 C ATOM 348 SD MET A 22 1.278 2.078 -5.828 1.00 0.00 S ATOM 349 CE MET A 22 -0.032 2.966 -4.951 1.00 0.00 C ATOM 0 H MET A 22 -0.965 -1.229 -5.525 1.00 0.00 H new ATOM 0 HA MET A 22 0.519 -2.054 -8.009 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.000 -0.698 -5.858 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.826 -0.230 -7.538 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.381 0.818 -7.046 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.280 0.292 -5.377 1.00 0.00 H new ATOM 0 HE1 MET A 22 0.332 3.948 -4.651 1.00 0.00 H new ATOM 0 HE2 MET A 22 -0.894 3.084 -5.608 1.00 0.00 H new ATOM 0 HE3 MET A 22 -0.325 2.401 -4.066 1.00 0.00 H new ATOM 359 N VAL A 23 2.323 -3.440 -6.675 1.00 0.00 N ATOM 360 CA VAL A 23 3.008 -4.586 -6.013 1.00 0.00 C ATOM 361 C VAL A 23 4.431 -4.189 -5.609 1.00 0.00 C ATOM 362 O VAL A 23 4.972 -3.209 -6.079 1.00 0.00 O ATOM 363 CB VAL A 23 3.016 -5.693 -7.071 1.00 0.00 C ATOM 364 CG1 VAL A 23 4.136 -6.695 -6.778 1.00 0.00 C ATOM 365 CG2 VAL A 23 1.670 -6.418 -7.050 1.00 0.00 C ATOM 0 H VAL A 23 2.813 -3.044 -7.477 1.00 0.00 H new ATOM 0 HA VAL A 23 2.510 -4.907 -5.098 1.00 0.00 H new ATOM 0 HB VAL A 23 3.185 -5.249 -8.052 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.132 -7.477 -7.537 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.097 -6.181 -6.792 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.978 -7.141 -5.796 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.670 -7.207 -7.802 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.507 -6.855 -6.065 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.871 -5.709 -7.269 1.00 0.00 H new ATOM 375 N ASN A 24 5.040 -4.945 -4.738 1.00 0.00 N ATOM 376 CA ASN A 24 6.426 -4.612 -4.301 1.00 0.00 C ATOM 377 C ASN A 24 7.421 -5.629 -4.861 1.00 0.00 C ATOM 378 O ASN A 24 7.047 -6.600 -5.489 1.00 0.00 O ATOM 379 CB ASN A 24 6.394 -4.693 -2.776 1.00 0.00 C ATOM 380 CG ASN A 24 5.958 -3.344 -2.202 1.00 0.00 C ATOM 381 OD1 ASN A 24 6.681 -2.734 -1.439 1.00 0.00 O ATOM 382 ND2 ASN A 24 4.798 -2.850 -2.538 1.00 0.00 N ATOM 0 H ASN A 24 4.638 -5.779 -4.310 1.00 0.00 H new ATOM 0 HA ASN A 24 6.739 -3.630 -4.655 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.705 -5.475 -2.457 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.379 -4.961 -2.395 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.498 -1.951 -2.160 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.192 -3.362 -3.178 1.00 0.00 H new ATOM 389 N VAL A 25 8.685 -5.411 -4.634 1.00 0.00 N ATOM 390 CA VAL A 25 9.713 -6.360 -5.146 1.00 0.00 C ATOM 391 C VAL A 25 9.300 -7.810 -4.847 1.00 0.00 C ATOM 392 O VAL A 25 9.026 -8.576 -5.749 1.00 0.00 O ATOM 393 CB VAL A 25 11.012 -5.983 -4.420 1.00 0.00 C ATOM 394 CG1 VAL A 25 10.729 -5.621 -2.957 1.00 0.00 C ATOM 395 CG2 VAL A 25 11.986 -7.160 -4.464 1.00 0.00 C ATOM 0 H VAL A 25 9.053 -4.614 -4.114 1.00 0.00 H new ATOM 0 HA VAL A 25 9.833 -6.295 -6.227 1.00 0.00 H new ATOM 0 HB VAL A 25 11.448 -5.119 -4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.663 -5.357 -2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.045 -4.773 -2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.278 -6.475 -2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.907 -6.889 -3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.536 -8.023 -3.974 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.211 -7.408 -5.501 1.00 0.00 H new ATOM 405 N CYS A 26 9.247 -8.197 -3.597 1.00 0.00 N ATOM 406 CA CYS A 26 8.842 -9.599 -3.276 1.00 0.00 C ATOM 407 C CYS A 26 7.631 -9.992 -4.125 1.00 0.00 C ATOM 408 O CYS A 26 7.424 -11.148 -4.437 1.00 0.00 O ATOM 409 CB CYS A 26 8.467 -9.580 -1.792 1.00 0.00 C ATOM 410 SG CYS A 26 7.278 -8.251 -1.505 1.00 0.00 S ATOM 0 H CYS A 26 9.464 -7.609 -2.792 1.00 0.00 H new ATOM 0 HA CYS A 26 9.635 -10.318 -3.483 1.00 0.00 H new ATOM 0 HB2 CYS A 26 8.039 -10.539 -1.499 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.356 -9.428 -1.180 1.00 0.00 H new ATOM 0 HG CYS A 26 6.146 -8.758 -1.115 1.00 0.00 H new ATOM 415 N GLY A 27 6.830 -9.032 -4.503 1.00 0.00 N ATOM 416 CA GLY A 27 5.633 -9.338 -5.334 1.00 0.00 C ATOM 417 C GLY A 27 4.451 -9.681 -4.425 1.00 0.00 C ATOM 418 O GLY A 27 4.141 -10.835 -4.207 1.00 0.00 O ATOM 0 H GLY A 27 6.955 -8.047 -4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.385 -8.482 -5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.845 -10.173 -6.002 1.00 0.00 H new ATOM 422 N HIS A 28 3.786 -8.691 -3.890 1.00 0.00 N ATOM 423 CA HIS A 28 2.628 -8.981 -2.999 1.00 0.00 C ATOM 424 C HIS A 28 1.432 -8.087 -3.351 1.00 0.00 C ATOM 425 O HIS A 28 0.726 -8.345 -4.306 1.00 0.00 O ATOM 426 CB HIS A 28 3.138 -8.722 -1.579 1.00 0.00 C ATOM 427 CG HIS A 28 3.589 -10.034 -0.998 1.00 0.00 C ATOM 428 ND1 HIS A 28 4.644 -10.149 -0.094 1.00 0.00 N ATOM 429 CD2 HIS A 28 3.121 -11.309 -1.193 1.00 0.00 C ATOM 430 CE1 HIS A 28 4.759 -11.458 0.208 1.00 0.00 C ATOM 431 NE2 HIS A 28 3.859 -12.202 -0.433 1.00 0.00 N ATOM 0 H HIS A 28 3.993 -7.702 -4.031 1.00 0.00 H new ATOM 0 HA HIS A 28 2.270 -10.005 -3.107 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.962 -8.009 -1.595 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.350 -8.285 -0.965 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.300 -11.576 -1.842 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.495 -11.857 0.890 1.00 0.00 H new ATOM 0 HE2 HIS A 28 3.739 -13.213 -0.376 1.00 0.00 H new ATOM 439 N THR A 29 1.181 -7.045 -2.600 1.00 0.00 N ATOM 440 CA THR A 29 0.013 -6.172 -2.927 1.00 0.00 C ATOM 441 C THR A 29 0.068 -4.860 -2.140 1.00 0.00 C ATOM 442 O THR A 29 0.270 -4.845 -0.944 1.00 0.00 O ATOM 443 CB THR A 29 -1.214 -6.984 -2.510 1.00 0.00 C ATOM 444 OG1 THR A 29 -1.393 -8.071 -3.407 1.00 0.00 O ATOM 445 CG2 THR A 29 -2.456 -6.088 -2.537 1.00 0.00 C ATOM 0 H THR A 29 1.726 -6.763 -1.785 1.00 0.00 H new ATOM 0 HA THR A 29 -0.003 -5.901 -3.983 1.00 0.00 H new ATOM 0 HB THR A 29 -1.067 -7.368 -1.501 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.746 -8.000 -4.140 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.330 -6.668 -2.240 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.320 -5.257 -1.845 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.604 -5.701 -3.545 1.00 0.00 H new ATOM 453 N LEU A 30 -0.132 -3.762 -2.814 1.00 0.00 N ATOM 454 CA LEU A 30 -0.113 -2.430 -2.138 1.00 0.00 C ATOM 455 C LEU A 30 -1.144 -1.526 -2.810 1.00 0.00 C ATOM 456 O LEU A 30 -0.868 -0.904 -3.813 1.00 0.00 O ATOM 457 CB LEU A 30 1.296 -1.903 -2.388 1.00 0.00 C ATOM 458 CG LEU A 30 1.695 -0.874 -1.332 1.00 0.00 C ATOM 459 CD1 LEU A 30 2.305 -1.578 -0.127 1.00 0.00 C ATOM 460 CD2 LEU A 30 2.729 0.069 -1.931 1.00 0.00 C ATOM 0 H LEU A 30 -0.310 -3.728 -3.818 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.350 -2.476 -1.075 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.004 -2.731 -2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.348 -1.451 -3.378 1.00 0.00 H new ATOM 0 HG LEU A 30 0.813 -0.317 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.587 -0.838 0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.576 -2.267 0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.189 -2.134 -0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.022 0.809 -1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.605 -0.501 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.301 0.575 -2.796 1.00 0.00 H new ATOM 472 N CYS A 31 -2.337 -1.462 -2.291 1.00 0.00 N ATOM 473 CA CYS A 31 -3.365 -0.609 -2.946 1.00 0.00 C ATOM 474 C CYS A 31 -2.856 0.810 -3.117 1.00 0.00 C ATOM 475 O CYS A 31 -1.712 1.122 -2.854 1.00 0.00 O ATOM 476 CB CYS A 31 -4.603 -0.634 -2.026 1.00 0.00 C ATOM 477 SG CYS A 31 -4.565 0.717 -0.807 1.00 0.00 S ATOM 0 H CYS A 31 -2.642 -1.956 -1.453 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.606 -0.982 -3.942 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.507 -0.553 -2.630 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.651 -1.591 -1.507 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.753 0.407 0.159 1.00 0.00 H new ATOM 482 N GLU A 32 -3.727 1.668 -3.525 1.00 0.00 N ATOM 483 CA GLU A 32 -3.326 3.100 -3.683 1.00 0.00 C ATOM 484 C GLU A 32 -3.114 3.673 -2.280 1.00 0.00 C ATOM 485 O GLU A 32 -2.121 4.309 -1.989 1.00 0.00 O ATOM 486 CB GLU A 32 -4.471 3.835 -4.416 1.00 0.00 C ATOM 487 CG GLU A 32 -5.812 3.180 -4.145 1.00 0.00 C ATOM 488 CD GLU A 32 -5.937 1.973 -5.073 1.00 0.00 C ATOM 489 OE1 GLU A 32 -5.266 1.979 -6.089 1.00 0.00 O ATOM 490 OE2 GLU A 32 -6.656 1.053 -4.733 1.00 0.00 O ATOM 0 H GLU A 32 -4.697 1.455 -3.758 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.409 3.213 -4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.501 4.876 -4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.276 3.838 -5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.882 2.869 -3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.624 3.885 -4.323 1.00 0.00 H new ATOM 497 N SER A 33 -4.053 3.424 -1.412 1.00 0.00 N ATOM 498 CA SER A 33 -3.960 3.906 -0.009 1.00 0.00 C ATOM 499 C SER A 33 -2.898 3.135 0.797 1.00 0.00 C ATOM 500 O SER A 33 -2.713 3.408 1.963 1.00 0.00 O ATOM 501 CB SER A 33 -5.349 3.655 0.579 1.00 0.00 C ATOM 502 OG SER A 33 -6.303 4.449 -0.113 1.00 0.00 O ATOM 0 H SER A 33 -4.899 2.895 -1.622 1.00 0.00 H new ATOM 0 HA SER A 33 -3.662 4.954 0.029 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.607 2.599 0.494 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.357 3.900 1.641 1.00 0.00 H new ATOM 0 HG SER A 33 -7.162 4.413 0.358 1.00 0.00 H new ATOM 508 N CYS A 34 -2.180 2.192 0.216 1.00 0.00 N ATOM 509 CA CYS A 34 -1.127 1.499 1.028 1.00 0.00 C ATOM 510 C CYS A 34 0.170 2.299 0.902 1.00 0.00 C ATOM 511 O CYS A 34 0.730 2.770 1.870 1.00 0.00 O ATOM 512 CB CYS A 34 -0.916 0.098 0.442 1.00 0.00 C ATOM 513 SG CYS A 34 -2.045 -1.099 1.189 1.00 0.00 S ATOM 0 H CYS A 34 -2.274 1.883 -0.752 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.422 1.425 2.075 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.072 0.125 -0.637 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.114 -0.217 0.608 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.020 -0.469 1.775 1.00 0.00 H new ATOM 518 N VAL A 35 0.634 2.458 -0.311 1.00 0.00 N ATOM 519 CA VAL A 35 1.885 3.232 -0.560 1.00 0.00 C ATOM 520 C VAL A 35 1.928 4.466 0.354 1.00 0.00 C ATOM 521 O VAL A 35 2.918 4.746 1.000 1.00 0.00 O ATOM 522 CB VAL A 35 1.779 3.642 -2.048 1.00 0.00 C ATOM 523 CG1 VAL A 35 2.167 5.109 -2.238 1.00 0.00 C ATOM 524 CG2 VAL A 35 2.712 2.785 -2.898 1.00 0.00 C ATOM 0 H VAL A 35 0.193 2.079 -1.149 1.00 0.00 H new ATOM 0 HA VAL A 35 2.793 2.665 -0.354 1.00 0.00 H new ATOM 0 HB VAL A 35 0.745 3.495 -2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.085 5.374 -3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.499 5.741 -1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.194 5.260 -1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.628 3.083 -3.943 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.740 2.923 -2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.435 1.736 -2.797 1.00 0.00 H new ATOM 534 N ASP A 36 0.862 5.214 0.378 1.00 0.00 N ATOM 535 CA ASP A 36 0.819 6.455 1.210 1.00 0.00 C ATOM 536 C ASP A 36 1.177 6.191 2.689 1.00 0.00 C ATOM 537 O ASP A 36 2.032 6.847 3.232 1.00 0.00 O ATOM 538 CB ASP A 36 -0.621 6.956 1.078 1.00 0.00 C ATOM 539 CG ASP A 36 -1.570 5.824 1.433 1.00 0.00 C ATOM 540 OD1 ASP A 36 -1.079 4.737 1.658 1.00 0.00 O ATOM 541 OD2 ASP A 36 -2.765 6.066 1.485 1.00 0.00 O ATOM 0 H ASP A 36 0.009 5.020 -0.147 1.00 0.00 H new ATOM 0 HA ASP A 36 1.555 7.184 0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.786 7.807 1.738 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.809 7.300 0.061 1.00 0.00 H new ATOM 546 N LEU A 37 0.526 5.275 3.363 1.00 0.00 N ATOM 547 CA LEU A 37 0.856 5.050 4.808 1.00 0.00 C ATOM 548 C LEU A 37 1.976 4.019 4.988 1.00 0.00 C ATOM 549 O LEU A 37 2.835 4.159 5.832 1.00 0.00 O ATOM 550 CB LEU A 37 -0.443 4.532 5.429 1.00 0.00 C ATOM 551 CG LEU A 37 -1.399 5.702 5.669 1.00 0.00 C ATOM 552 CD1 LEU A 37 -0.697 6.776 6.499 1.00 0.00 C ATOM 553 CD2 LEU A 37 -1.825 6.295 4.324 1.00 0.00 C ATOM 0 H LEU A 37 -0.210 4.680 2.983 1.00 0.00 H new ATOM 0 HA LEU A 37 1.216 5.966 5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.907 3.800 4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.231 4.024 6.370 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.278 5.347 6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.380 7.609 6.669 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.393 6.355 7.457 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.183 7.132 5.964 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.506 7.129 4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.945 6.649 3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.328 5.530 3.732 1.00 0.00 H new ATOM 565 N LEU A 38 1.948 2.978 4.216 1.00 0.00 N ATOM 566 CA LEU A 38 2.976 1.901 4.333 1.00 0.00 C ATOM 567 C LEU A 38 4.394 2.472 4.448 1.00 0.00 C ATOM 568 O LEU A 38 5.126 2.163 5.368 1.00 0.00 O ATOM 569 CB LEU A 38 2.815 1.111 3.021 1.00 0.00 C ATOM 570 CG LEU A 38 3.631 -0.203 3.018 1.00 0.00 C ATOM 571 CD1 LEU A 38 5.015 -0.006 3.640 1.00 0.00 C ATOM 572 CD2 LEU A 38 2.880 -1.277 3.802 1.00 0.00 C ATOM 0 H LEU A 38 1.246 2.819 3.493 1.00 0.00 H new ATOM 0 HA LEU A 38 2.838 1.294 5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.761 0.881 2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.132 1.734 2.184 1.00 0.00 H new ATOM 0 HG LEU A 38 3.760 -0.512 1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.560 -0.950 3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.566 0.743 3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.906 0.329 4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.458 -2.201 3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.736 -0.944 4.830 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.909 -1.454 3.339 1.00 0.00 H new ATOM 584 N PHE A 39 4.811 3.234 3.484 1.00 0.00 N ATOM 585 CA PHE A 39 6.212 3.749 3.487 1.00 0.00 C ATOM 586 C PHE A 39 6.376 5.084 4.220 1.00 0.00 C ATOM 587 O PHE A 39 7.452 5.391 4.693 1.00 0.00 O ATOM 588 CB PHE A 39 6.543 3.856 2.002 1.00 0.00 C ATOM 589 CG PHE A 39 6.257 2.508 1.383 1.00 0.00 C ATOM 590 CD1 PHE A 39 4.976 2.226 0.905 1.00 0.00 C ATOM 591 CD2 PHE A 39 7.253 1.523 1.337 1.00 0.00 C ATOM 592 CE1 PHE A 39 4.683 0.966 0.383 1.00 0.00 C ATOM 593 CE2 PHE A 39 6.961 0.259 0.803 1.00 0.00 C ATOM 594 CZ PHE A 39 5.672 -0.020 0.328 1.00 0.00 C ATOM 0 H PHE A 39 4.244 3.527 2.688 1.00 0.00 H new ATOM 0 HA PHE A 39 6.888 3.092 4.034 1.00 0.00 H new ATOM 0 HB2 PHE A 39 5.942 4.632 1.529 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.588 4.131 1.859 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.209 2.986 0.939 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.243 1.737 1.712 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.689 0.752 0.020 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.729 -0.499 0.758 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.444 -0.994 -0.079 1.00 0.00 H new ATOM 604 N VAL A 40 5.357 5.888 4.336 1.00 0.00 N ATOM 605 CA VAL A 40 5.568 7.180 5.065 1.00 0.00 C ATOM 606 C VAL A 40 6.000 6.891 6.501 1.00 0.00 C ATOM 607 O VAL A 40 6.613 7.711 7.155 1.00 0.00 O ATOM 608 CB VAL A 40 4.237 7.926 5.051 1.00 0.00 C ATOM 609 CG1 VAL A 40 3.937 8.408 3.632 1.00 0.00 C ATOM 610 CG2 VAL A 40 3.125 7.006 5.550 1.00 0.00 C ATOM 0 H VAL A 40 4.418 5.721 3.974 1.00 0.00 H new ATOM 0 HA VAL A 40 6.346 7.779 4.591 1.00 0.00 H new ATOM 0 HB VAL A 40 4.295 8.791 5.712 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.986 8.941 3.622 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.731 9.076 3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.879 7.551 2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.176 7.543 5.538 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.056 6.133 4.901 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.348 6.685 6.567 1.00 0.00 H new ATOM 620 N ARG A 41 5.695 5.723 6.994 1.00 0.00 N ATOM 621 CA ARG A 41 6.098 5.373 8.385 1.00 0.00 C ATOM 622 C ARG A 41 7.611 5.166 8.429 1.00 0.00 C ATOM 623 O ARG A 41 8.338 5.918 9.045 1.00 0.00 O ATOM 624 CB ARG A 41 5.375 4.061 8.713 1.00 0.00 C ATOM 625 CG ARG A 41 3.954 4.078 8.143 1.00 0.00 C ATOM 626 CD ARG A 41 2.945 3.881 9.278 1.00 0.00 C ATOM 627 NE ARG A 41 2.055 2.781 8.815 1.00 0.00 N ATOM 628 CZ ARG A 41 2.256 1.560 9.230 1.00 0.00 C ATOM 629 NH1 ARG A 41 1.755 1.166 10.369 1.00 0.00 N ATOM 630 NH2 ARG A 41 2.958 0.732 8.506 1.00 0.00 N ATOM 0 H ARG A 41 5.184 4.996 6.494 1.00 0.00 H new ATOM 0 HA ARG A 41 5.841 6.155 9.100 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.930 3.219 8.299 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.339 3.918 9.793 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.766 5.024 7.635 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.840 3.289 7.400 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.445 3.618 10.210 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.379 4.794 9.466 1.00 0.00 H new ATOM 0 HE ARG A 41 1.288 2.982 8.173 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.206 1.812 10.936 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.913 0.212 10.693 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.350 1.039 7.616 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.115 -0.222 8.830 1.00 0.00 H new ATOM 644 N GLY A 42 8.086 4.149 7.767 1.00 0.00 N ATOM 645 CA GLY A 42 9.551 3.885 7.752 1.00 0.00 C ATOM 646 C GLY A 42 9.999 3.568 6.322 1.00 0.00 C ATOM 647 O GLY A 42 11.134 3.205 6.089 1.00 0.00 O ATOM 0 H GLY A 42 7.521 3.487 7.234 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.091 4.753 8.130 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.788 3.050 8.412 1.00 0.00 H new ATOM 651 N ALA A 43 9.119 3.703 5.361 1.00 0.00 N ATOM 652 CA ALA A 43 9.510 3.407 3.950 1.00 0.00 C ATOM 653 C ALA A 43 10.361 2.134 3.893 1.00 0.00 C ATOM 654 O ALA A 43 11.485 2.148 3.431 1.00 0.00 O ATOM 655 CB ALA A 43 10.330 4.617 3.505 1.00 0.00 C ATOM 0 H ALA A 43 8.153 4.003 5.492 1.00 0.00 H new ATOM 0 HA ALA A 43 8.645 3.241 3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.656 4.476 2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.718 5.516 3.572 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.202 4.723 4.150 1.00 0.00 H new ATOM 661 N GLY A 44 9.836 1.035 4.362 1.00 0.00 N ATOM 662 CA GLY A 44 10.616 -0.233 4.336 1.00 0.00 C ATOM 663 C GLY A 44 9.848 -1.323 5.087 1.00 0.00 C ATOM 664 O GLY A 44 10.252 -1.763 6.144 1.00 0.00 O ATOM 0 H GLY A 44 8.901 0.961 4.762 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.792 -0.542 3.306 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.593 -0.080 4.795 1.00 0.00 H new ATOM 668 N ASN A 45 8.744 -1.762 4.549 1.00 0.00 N ATOM 669 CA ASN A 45 7.952 -2.826 5.233 1.00 0.00 C ATOM 670 C ASN A 45 6.763 -3.241 4.369 1.00 0.00 C ATOM 671 O ASN A 45 5.671 -2.726 4.507 1.00 0.00 O ATOM 672 CB ASN A 45 7.467 -2.186 6.531 1.00 0.00 C ATOM 673 CG ASN A 45 8.358 -2.640 7.690 1.00 0.00 C ATOM 674 OD1 ASN A 45 9.064 -1.843 8.276 1.00 0.00 O ATOM 675 ND2 ASN A 45 8.354 -3.894 8.047 1.00 0.00 N ATOM 0 H ASN A 45 8.355 -1.431 3.666 1.00 0.00 H new ATOM 0 HA ASN A 45 8.542 -3.724 5.414 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.491 -1.100 6.444 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.432 -2.468 6.723 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.944 -4.207 8.818 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.761 -4.562 7.555 1.00 0.00 H new ATOM 682 N CYS A 46 6.971 -4.173 3.482 1.00 0.00 N ATOM 683 CA CYS A 46 5.864 -4.646 2.597 1.00 0.00 C ATOM 684 C CYS A 46 4.555 -4.713 3.380 1.00 0.00 C ATOM 685 O CYS A 46 4.546 -5.026 4.554 1.00 0.00 O ATOM 686 CB CYS A 46 6.299 -6.043 2.162 1.00 0.00 C ATOM 687 SG CYS A 46 5.043 -6.824 1.113 1.00 0.00 S ATOM 0 H CYS A 46 7.868 -4.633 3.329 1.00 0.00 H new ATOM 0 HA CYS A 46 5.690 -3.982 1.750 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.242 -5.981 1.619 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.478 -6.661 3.042 1.00 0.00 H new ATOM 0 HG CYS A 46 5.611 -7.328 0.058 1.00 0.00 H new ATOM 692 N PRO A 47 3.490 -4.418 2.696 1.00 0.00 N ATOM 693 CA PRO A 47 2.140 -4.442 3.321 1.00 0.00 C ATOM 694 C PRO A 47 1.777 -5.847 3.814 1.00 0.00 C ATOM 695 O PRO A 47 0.768 -6.040 4.461 1.00 0.00 O ATOM 696 CB PRO A 47 1.228 -3.994 2.175 1.00 0.00 C ATOM 697 CG PRO A 47 1.993 -4.339 0.946 1.00 0.00 C ATOM 698 CD PRO A 47 3.421 -4.034 1.283 1.00 0.00 C ATOM 0 HA PRO A 47 2.062 -3.808 4.204 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.268 -4.509 2.205 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.018 -2.926 2.227 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.865 -5.389 0.682 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.654 -3.752 0.092 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.116 -4.608 0.670 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.659 -2.981 1.134 1.00 0.00 H new ATOM 706 N GLU A 48 2.582 -6.835 3.518 1.00 0.00 N ATOM 707 CA GLU A 48 2.244 -8.217 3.987 1.00 0.00 C ATOM 708 C GLU A 48 3.480 -9.011 4.472 1.00 0.00 C ATOM 709 O GLU A 48 3.371 -9.813 5.378 1.00 0.00 O ATOM 710 CB GLU A 48 1.584 -8.895 2.780 1.00 0.00 C ATOM 711 CG GLU A 48 2.643 -9.504 1.860 1.00 0.00 C ATOM 712 CD GLU A 48 2.829 -10.983 2.206 1.00 0.00 C ATOM 713 OE1 GLU A 48 3.429 -11.261 3.231 1.00 0.00 O ATOM 714 OE2 GLU A 48 2.365 -11.812 1.442 1.00 0.00 O ATOM 0 H GLU A 48 3.445 -6.750 2.981 1.00 0.00 H new ATOM 0 HA GLU A 48 1.587 -8.181 4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.900 -9.672 3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.989 -8.168 2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.339 -9.398 0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.587 -8.972 1.972 1.00 0.00 H new ATOM 721 N CYS A 49 4.646 -8.820 3.898 1.00 0.00 N ATOM 722 CA CYS A 49 5.831 -9.606 4.378 1.00 0.00 C ATOM 723 C CYS A 49 6.960 -8.681 4.846 1.00 0.00 C ATOM 724 O CYS A 49 8.081 -9.111 5.034 1.00 0.00 O ATOM 725 CB CYS A 49 6.270 -10.478 3.186 1.00 0.00 C ATOM 726 SG CYS A 49 7.343 -9.555 2.048 1.00 0.00 S ATOM 0 H CYS A 49 4.828 -8.169 3.134 1.00 0.00 H new ATOM 0 HA CYS A 49 5.577 -10.221 5.241 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.798 -11.358 3.552 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.390 -10.834 2.650 1.00 0.00 H new ATOM 0 HG CYS A 49 6.669 -8.583 1.509 1.00 0.00 H new ATOM 731 N GLY A 50 6.665 -7.421 5.051 1.00 0.00 N ATOM 732 CA GLY A 50 7.706 -6.457 5.526 1.00 0.00 C ATOM 733 C GLY A 50 9.074 -6.802 4.930 1.00 0.00 C ATOM 734 O GLY A 50 10.004 -7.128 5.641 1.00 0.00 O ATOM 0 H GLY A 50 5.740 -7.016 4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.426 -5.442 5.243 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.761 -6.481 6.614 1.00 0.00 H new ATOM 738 N THR A 51 9.210 -6.728 3.636 1.00 0.00 N ATOM 739 CA THR A 51 10.523 -7.046 3.008 1.00 0.00 C ATOM 740 C THR A 51 11.419 -5.797 3.042 1.00 0.00 C ATOM 741 O THR A 51 10.988 -4.744 3.468 1.00 0.00 O ATOM 742 CB THR A 51 10.167 -7.494 1.574 1.00 0.00 C ATOM 743 OG1 THR A 51 10.879 -8.683 1.265 1.00 0.00 O ATOM 744 CG2 THR A 51 10.514 -6.410 0.544 1.00 0.00 C ATOM 0 H THR A 51 8.470 -6.461 2.986 1.00 0.00 H new ATOM 0 HA THR A 51 11.084 -7.826 3.522 1.00 0.00 H new ATOM 0 HB THR A 51 9.093 -7.672 1.529 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.276 -9.452 1.332 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.250 -6.759 -0.454 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.956 -5.501 0.770 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.583 -6.199 0.584 1.00 0.00 H new ATOM 752 N PRO A 52 12.638 -5.955 2.603 1.00 0.00 N ATOM 753 CA PRO A 52 13.593 -4.819 2.601 1.00 0.00 C ATOM 754 C PRO A 52 13.199 -3.786 1.542 1.00 0.00 C ATOM 755 O PRO A 52 13.692 -3.799 0.432 1.00 0.00 O ATOM 756 CB PRO A 52 14.930 -5.475 2.263 1.00 0.00 C ATOM 757 CG PRO A 52 14.570 -6.728 1.530 1.00 0.00 C ATOM 758 CD PRO A 52 13.238 -7.182 2.069 1.00 0.00 C ATOM 0 HA PRO A 52 13.619 -4.279 3.547 1.00 0.00 H new ATOM 0 HB2 PRO A 52 15.547 -4.820 1.647 1.00 0.00 H new ATOM 0 HB3 PRO A 52 15.501 -5.695 3.165 1.00 0.00 H new ATOM 0 HG2 PRO A 52 14.510 -6.544 0.457 1.00 0.00 H new ATOM 0 HG3 PRO A 52 15.329 -7.495 1.680 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.619 -7.622 1.287 1.00 0.00 H new ATOM 0 HD3 PRO A 52 13.357 -7.939 2.844 1.00 0.00 H new ATOM 766 N LEU A 53 12.312 -2.890 1.882 1.00 0.00 N ATOM 767 CA LEU A 53 11.884 -1.853 0.901 1.00 0.00 C ATOM 768 C LEU A 53 12.427 -0.482 1.313 1.00 0.00 C ATOM 769 O LEU A 53 11.681 0.419 1.639 1.00 0.00 O ATOM 770 CB LEU A 53 10.356 -1.859 0.955 1.00 0.00 C ATOM 771 CG LEU A 53 9.837 -3.260 0.638 1.00 0.00 C ATOM 772 CD1 LEU A 53 8.307 -3.258 0.665 1.00 0.00 C ATOM 773 CD2 LEU A 53 10.320 -3.681 -0.750 1.00 0.00 C ATOM 0 H LEU A 53 11.865 -2.832 2.797 1.00 0.00 H new ATOM 0 HA LEU A 53 12.257 -2.057 -0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.016 -1.549 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.954 -1.141 0.240 1.00 0.00 H new ATOM 0 HG LEU A 53 10.212 -3.962 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.938 -4.258 0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.961 -2.959 1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.931 -2.556 -0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.950 -4.681 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.945 -2.978 -1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.410 -3.685 -0.770 1.00 0.00 H new ATOM 785 N ARG A 54 13.721 -0.318 1.302 1.00 0.00 N ATOM 786 CA ARG A 54 14.308 0.996 1.693 1.00 0.00 C ATOM 787 C ARG A 54 14.333 1.945 0.491 1.00 0.00 C ATOM 788 O ARG A 54 15.292 2.657 0.269 1.00 0.00 O ATOM 789 CB ARG A 54 15.732 0.675 2.150 1.00 0.00 C ATOM 790 CG ARG A 54 16.236 1.790 3.068 1.00 0.00 C ATOM 791 CD ARG A 54 15.453 1.763 4.383 1.00 0.00 C ATOM 792 NE ARG A 54 16.393 1.177 5.377 1.00 0.00 N ATOM 793 CZ ARG A 54 16.025 0.154 6.100 1.00 0.00 C ATOM 794 NH1 ARG A 54 14.912 0.202 6.777 1.00 0.00 N ATOM 795 NH2 ARG A 54 16.771 -0.916 6.143 1.00 0.00 N ATOM 0 H ARG A 54 14.397 -1.035 1.040 1.00 0.00 H new ATOM 0 HA ARG A 54 13.730 1.488 2.475 1.00 0.00 H new ATOM 0 HB2 ARG A 54 15.750 -0.280 2.676 1.00 0.00 H new ATOM 0 HB3 ARG A 54 16.389 0.576 1.286 1.00 0.00 H new ATOM 0 HG2 ARG A 54 17.300 1.661 3.264 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.117 2.758 2.581 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.141 2.765 4.677 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.549 1.161 4.292 1.00 0.00 H new ATOM 0 HE ARG A 54 17.325 1.575 5.493 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.329 1.038 6.742 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.624 -0.597 7.342 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.641 -0.953 5.612 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.484 -1.715 6.708 1.00 0.00 H new ATOM 809 N LYS A 55 13.285 1.960 -0.286 1.00 0.00 N ATOM 810 CA LYS A 55 13.249 2.861 -1.473 1.00 0.00 C ATOM 811 C LYS A 55 11.814 3.001 -1.990 1.00 0.00 C ATOM 812 O LYS A 55 11.589 3.322 -3.140 1.00 0.00 O ATOM 813 CB LYS A 55 14.131 2.176 -2.518 1.00 0.00 C ATOM 814 CG LYS A 55 13.399 0.959 -3.088 1.00 0.00 C ATOM 815 CD LYS A 55 13.218 -0.091 -1.990 1.00 0.00 C ATOM 816 CE LYS A 55 13.156 -1.485 -2.619 1.00 0.00 C ATOM 817 NZ LYS A 55 14.041 -2.328 -1.767 1.00 0.00 N ATOM 0 H LYS A 55 12.452 1.387 -0.150 1.00 0.00 H new ATOM 0 HA LYS A 55 13.600 3.866 -1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 55 14.374 2.875 -3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 55 15.074 1.868 -2.067 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.428 1.258 -3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.965 0.538 -3.919 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.044 -0.037 -1.281 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.304 0.107 -1.430 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.136 -1.869 -2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.502 -1.468 -3.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.649 -2.915 -2.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.634 -1.716 -1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.459 -2.942 -1.162 1.00 0.00 H new ATOM 831 N SER A 56 10.843 2.761 -1.149 1.00 0.00 N ATOM 832 CA SER A 56 9.422 2.879 -1.594 1.00 0.00 C ATOM 833 C SER A 56 9.253 2.278 -2.994 1.00 0.00 C ATOM 834 O SER A 56 9.451 2.944 -3.991 1.00 0.00 O ATOM 835 CB SER A 56 9.139 4.381 -1.618 1.00 0.00 C ATOM 836 OG SER A 56 10.369 5.095 -1.631 1.00 0.00 O ATOM 0 H SER A 56 10.971 2.489 -0.174 1.00 0.00 H new ATOM 0 HA SER A 56 8.737 2.345 -0.935 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.549 4.637 -2.498 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.551 4.665 -0.746 1.00 0.00 H new ATOM 0 HG SER A 56 10.188 6.058 -1.648 1.00 0.00 H new ATOM 842 N ASN A 57 8.896 1.025 -3.079 1.00 0.00 N ATOM 843 CA ASN A 57 8.725 0.390 -4.419 1.00 0.00 C ATOM 844 C ASN A 57 7.287 -0.115 -4.596 1.00 0.00 C ATOM 845 O ASN A 57 6.799 -0.913 -3.820 1.00 0.00 O ATOM 846 CB ASN A 57 9.732 -0.774 -4.434 1.00 0.00 C ATOM 847 CG ASN A 57 9.108 -2.030 -3.817 1.00 0.00 C ATOM 848 OD1 ASN A 57 8.820 -2.984 -4.513 1.00 0.00 O ATOM 849 ND2 ASN A 57 8.883 -2.072 -2.533 1.00 0.00 N ATOM 0 H ASN A 57 8.716 0.415 -2.282 1.00 0.00 H new ATOM 0 HA ASN A 57 8.903 1.088 -5.237 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.043 -0.981 -5.458 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.628 -0.495 -3.879 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.466 -2.904 -2.115 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.124 -1.273 -1.947 1.00 0.00 H new ATOM 856 N PHE A 58 6.607 0.335 -5.617 1.00 0.00 N ATOM 857 CA PHE A 58 5.207 -0.136 -5.840 1.00 0.00 C ATOM 858 C PHE A 58 4.902 -0.195 -7.336 1.00 0.00 C ATOM 859 O PHE A 58 4.848 0.817 -8.006 1.00 0.00 O ATOM 860 CB PHE A 58 4.264 0.884 -5.171 1.00 0.00 C ATOM 861 CG PHE A 58 5.003 1.758 -4.187 1.00 0.00 C ATOM 862 CD1 PHE A 58 5.394 1.233 -2.955 1.00 0.00 C ATOM 863 CD2 PHE A 58 5.271 3.096 -4.497 1.00 0.00 C ATOM 864 CE1 PHE A 58 6.053 2.043 -2.030 1.00 0.00 C ATOM 865 CE2 PHE A 58 5.937 3.907 -3.572 1.00 0.00 C ATOM 866 CZ PHE A 58 6.327 3.379 -2.337 1.00 0.00 C ATOM 0 H PHE A 58 6.957 1.004 -6.303 1.00 0.00 H new ATOM 0 HA PHE A 58 5.073 -1.133 -5.419 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.799 1.507 -5.935 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.460 0.356 -4.658 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.187 0.200 -2.718 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.964 3.502 -5.449 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.352 1.637 -1.075 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.150 4.939 -3.811 1.00 0.00 H new ATOM 0 HZ PHE A 58 6.840 4.003 -1.620 1.00 0.00 H new ATOM 876 N ARG A 59 4.661 -1.364 -7.859 1.00 0.00 N ATOM 877 CA ARG A 59 4.311 -1.459 -9.310 1.00 0.00 C ATOM 878 C ARG A 59 2.795 -1.343 -9.422 1.00 0.00 C ATOM 879 O ARG A 59 2.076 -2.307 -9.258 1.00 0.00 O ATOM 880 CB ARG A 59 4.800 -2.826 -9.841 1.00 0.00 C ATOM 881 CG ARG A 59 5.265 -3.749 -8.706 1.00 0.00 C ATOM 882 CD ARG A 59 5.693 -5.098 -9.288 1.00 0.00 C ATOM 883 NE ARG A 59 6.961 -4.815 -10.015 1.00 0.00 N ATOM 884 CZ ARG A 59 8.103 -4.882 -9.387 1.00 0.00 C ATOM 885 NH1 ARG A 59 8.140 -4.770 -8.087 1.00 0.00 N ATOM 886 NH2 ARG A 59 9.207 -5.059 -10.057 1.00 0.00 N ATOM 0 H ARG A 59 4.690 -2.250 -7.355 1.00 0.00 H new ATOM 0 HA ARG A 59 4.782 -0.670 -9.896 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.995 -3.309 -10.395 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.620 -2.671 -10.542 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.096 -3.292 -8.169 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.460 -3.891 -7.985 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.845 -5.838 -8.502 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.933 -5.498 -9.959 1.00 0.00 H new ATOM 0 HE ARG A 59 6.937 -4.569 -11.005 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.277 -4.630 -7.562 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.032 -4.822 -7.596 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.179 -5.145 -11.073 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.099 -5.111 -9.565 1.00 0.00 H new ATOM 900 N VAL A 60 2.310 -0.155 -9.647 1.00 0.00 N ATOM 901 CA VAL A 60 0.835 0.058 -9.705 1.00 0.00 C ATOM 902 C VAL A 60 0.260 -0.158 -11.100 1.00 0.00 C ATOM 903 O VAL A 60 0.788 0.298 -12.095 1.00 0.00 O ATOM 904 CB VAL A 60 0.631 1.511 -9.282 1.00 0.00 C ATOM 905 CG1 VAL A 60 1.515 2.423 -10.135 1.00 0.00 C ATOM 906 CG2 VAL A 60 -0.836 1.899 -9.478 1.00 0.00 C ATOM 0 H VAL A 60 2.873 0.683 -9.794 1.00 0.00 H new ATOM 0 HA VAL A 60 0.322 -0.657 -9.062 1.00 0.00 H new ATOM 0 HB VAL A 60 0.901 1.622 -8.232 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.368 3.460 -9.832 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.561 2.149 -9.996 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.247 2.311 -11.186 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.982 2.936 -9.176 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.105 1.786 -10.528 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.468 1.252 -8.870 1.00 0.00 H new ATOM 916 N GLN A 61 -0.856 -0.827 -11.152 1.00 0.00 N ATOM 917 CA GLN A 61 -1.545 -1.070 -12.442 1.00 0.00 C ATOM 918 C GLN A 61 -2.985 -0.584 -12.301 1.00 0.00 C ATOM 919 O GLN A 61 -3.674 -0.932 -11.358 1.00 0.00 O ATOM 920 CB GLN A 61 -1.498 -2.585 -12.653 1.00 0.00 C ATOM 921 CG GLN A 61 -1.853 -3.296 -11.346 1.00 0.00 C ATOM 922 CD GLN A 61 -2.748 -4.501 -11.648 1.00 0.00 C ATOM 923 OE1 GLN A 61 -2.484 -5.254 -12.563 1.00 0.00 O ATOM 924 NE2 GLN A 61 -3.803 -4.714 -10.911 1.00 0.00 N ATOM 0 H GLN A 61 -1.326 -1.222 -10.338 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.087 -0.551 -13.284 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.197 -2.875 -13.438 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.504 -2.886 -12.984 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.945 -3.622 -10.838 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.365 -2.608 -10.673 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.024 -4.081 -10.142 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.407 -5.513 -11.103 1.00 0.00 H new ATOM 933 N LEU A 62 -3.440 0.241 -13.203 1.00 0.00 N ATOM 934 CA LEU A 62 -4.830 0.766 -13.090 1.00 0.00 C ATOM 935 C LEU A 62 -5.661 0.343 -14.305 1.00 0.00 C ATOM 936 O LEU A 62 -6.618 0.996 -14.672 1.00 0.00 O ATOM 937 CB LEU A 62 -4.666 2.287 -13.053 1.00 0.00 C ATOM 938 CG LEU A 62 -5.426 2.864 -11.856 1.00 0.00 C ATOM 939 CD1 LEU A 62 -6.875 2.370 -11.873 1.00 0.00 C ATOM 940 CD2 LEU A 62 -4.746 2.415 -10.557 1.00 0.00 C ATOM 0 H LEU A 62 -2.912 0.573 -14.010 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.348 0.385 -12.210 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.610 2.546 -12.983 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.041 2.725 -13.978 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.419 3.952 -11.915 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.411 2.784 -11.019 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.358 2.692 -12.795 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.889 1.282 -11.817 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.286 2.825 -9.703 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.751 1.326 -10.501 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.717 2.774 -10.542 1.00 0.00 H new