USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 587 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 37 THR OG1 : rot -160:sc= 0.793 USER MOD Set 1.2: A 40 THR OG1 : rot 80:sc= 1.88 USER MOD Set 1.3: A 41 ASN : amide:sc= -1.25! C(o=1.4!,f=-1.6!) USER MOD Set 2.1: A 23 GLN : amide:sc= -0.733 K(o=-8.6,f=-19!) USER MOD Set 2.2: A 31 HIS : no HD1:sc= -3.36! C(o=-8.6!,f=-13!) USER MOD Set 2.3: A 33 HIS : no HD1:sc= -4.52! C(o=-8.6!,f=-13!) USER MOD Set 3.1: A 16 THR OG1 : rot -78:sc= 0.112 USER MOD Set 3.2: A 18 THR OG1 : rot -65:sc= 2.42 USER MOD Set 3.3: A 20 THR OG1 : rot 85:sc= 1.11 USER MOD Set 3.4: A 67 ASN : amide:sc= -0.174 K(o=3.5,f=-6.9!) USER MOD Set 4.1: A 2 MET CE :methyl 151:sc= 0 (180deg=-0.932) USER MOD Set 4.2: A 79 GLN : amide:sc= -0.54 K(o=-0.54,f=-11!) USER MOD Single : A 1 CYS N :NH3+ -151:sc= 1.08 (180deg=0.122) USER MOD Single : A 5 ASN : amide:sc= -0.0915 K(o=-0.091,f=-1.3) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -147:sc= -0.873 USER MOD Single : A 12 LYS NZ :NH3+ -171:sc= -0.0119 (180deg=-0.121) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.02 K(o=-1,f=-7.8!) USER MOD Single : A 34 SER OG : rot -52:sc= 0.163 USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= -0.108 (180deg=-0.503) USER MOD Single : A 49 ASN : amide:sc= 0.435 K(o=0.44,f=-3.8!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.23! C(o=-1.2!,f=-11!) USER MOD Single : A 64 TYR OH : rot 141:sc= 0.102! USER MOD Single : A 65 THR OG1 : rot -97:sc= 0.0123 USER MOD Single : A 66 THR OG1 : rot -68:sc= 0.485 USER MOD Single : A 70 LYS NZ :NH3+ -178:sc= 1.05 (180deg=0.941) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -6:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 50 N CYS A 1 4.850 30.205 2.743 1.00 0.00 N ATOM 51 CA CYS A 1 5.903 30.517 3.681 1.00 0.00 C ATOM 52 C CYS A 1 5.381 30.393 5.107 1.00 0.00 C ATOM 53 O CYS A 1 4.188 30.571 5.360 1.00 0.00 O ATOM 54 CB CYS A 1 6.443 31.924 3.403 1.00 0.00 C ATOM 55 SG CYS A 1 5.217 33.062 2.656 1.00 0.00 S ATOM 0 H1 CYS A 1 5.265 29.814 1.873 1.00 0.00 H new ATOM 0 H2 CYS A 1 4.206 29.506 3.164 1.00 0.00 H new ATOM 0 H3 CYS A 1 4.320 31.071 2.515 1.00 0.00 H new ATOM 0 HA CYS A 1 6.723 29.809 3.561 1.00 0.00 H new ATOM 0 HB2 CYS A 1 6.801 32.355 4.338 1.00 0.00 H new ATOM 0 HB3 CYS A 1 7.303 31.847 2.738 1.00 0.00 H new ATOM 60 N MET A 2 6.273 30.072 6.029 1.00 0.00 N ATOM 61 CA MET A 2 5.885 29.861 7.435 1.00 0.00 C ATOM 62 C MET A 2 6.113 31.080 8.302 1.00 0.00 C ATOM 63 O MET A 2 6.916 31.941 7.988 1.00 0.00 O ATOM 64 CB MET A 2 6.652 28.694 8.050 1.00 0.00 C ATOM 65 CG MET A 2 8.155 28.790 7.842 1.00 0.00 C ATOM 66 SD MET A 2 9.087 27.789 9.009 1.00 0.00 S ATOM 67 CE MET A 2 10.767 28.104 8.471 1.00 0.00 C ATOM 0 H MET A 2 7.268 29.950 5.842 1.00 0.00 H new ATOM 0 HA MET A 2 4.817 29.647 7.409 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.441 28.652 9.119 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.290 27.761 7.617 1.00 0.00 H new ATOM 0 HG2 MET A 2 8.397 28.476 6.827 1.00 0.00 H new ATOM 0 HG3 MET A 2 8.464 29.831 7.936 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.444 28.015 9.321 1.00 0.00 H new ATOM 0 HE2 MET A 2 11.046 27.379 7.707 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.834 29.110 8.058 1.00 0.00 H new ATOM 77 N PHE A 3 5.400 31.126 9.414 1.00 0.00 N ATOM 78 CA PHE A 3 5.510 32.213 10.361 1.00 0.00 C ATOM 79 C PHE A 3 6.095 31.676 11.654 1.00 0.00 C ATOM 80 O PHE A 3 5.381 31.108 12.479 1.00 0.00 O ATOM 81 CB PHE A 3 4.130 32.829 10.617 1.00 0.00 C ATOM 82 CG PHE A 3 3.444 33.330 9.374 1.00 0.00 C ATOM 83 CD1 PHE A 3 3.625 34.632 8.937 1.00 0.00 C ATOM 84 CD2 PHE A 3 2.615 32.495 8.640 1.00 0.00 C ATOM 85 CE1 PHE A 3 2.994 35.093 7.796 1.00 0.00 C ATOM 86 CE2 PHE A 3 1.981 32.950 7.499 1.00 0.00 C ATOM 87 CZ PHE A 3 2.172 34.252 7.077 1.00 0.00 C ATOM 0 H PHE A 3 4.728 30.407 9.683 1.00 0.00 H new ATOM 0 HA PHE A 3 6.162 32.989 9.959 1.00 0.00 H new ATOM 0 HB2 PHE A 3 3.494 32.084 11.096 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.237 33.656 11.319 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.268 35.296 9.495 1.00 0.00 H new ATOM 0 HD2 PHE A 3 2.463 31.476 8.964 1.00 0.00 H new ATOM 0 HE1 PHE A 3 3.145 36.111 7.469 1.00 0.00 H new ATOM 0 HE2 PHE A 3 1.337 32.289 6.938 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.678 34.610 6.186 1.00 0.00 H new ATOM 97 N GLY A 4 7.395 31.817 11.811 1.00 0.00 N ATOM 98 CA GLY A 4 8.055 31.219 12.927 1.00 0.00 C ATOM 99 C GLY A 4 8.262 29.749 12.686 1.00 0.00 C ATOM 100 O GLY A 4 8.992 29.368 11.764 1.00 0.00 O ATOM 0 H GLY A 4 8.002 32.339 11.179 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.016 31.706 13.093 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.463 31.366 13.830 1.00 0.00 H new ATOM 104 N ASN A 5 7.547 28.944 13.465 1.00 0.00 N ATOM 105 CA ASN A 5 7.638 27.488 13.416 1.00 0.00 C ATOM 106 C ASN A 5 6.839 26.935 12.251 1.00 0.00 C ATOM 107 O ASN A 5 7.156 25.882 11.712 1.00 0.00 O ATOM 108 CB ASN A 5 7.083 26.882 14.707 1.00 0.00 C ATOM 109 CG ASN A 5 7.912 27.211 15.928 1.00 0.00 C ATOM 110 OD1 ASN A 5 9.115 27.447 15.838 1.00 0.00 O ATOM 111 ND2 ASN A 5 7.270 27.212 17.083 1.00 0.00 N ATOM 0 H ASN A 5 6.880 29.288 14.156 1.00 0.00 H new ATOM 0 HA ASN A 5 8.689 27.226 13.295 1.00 0.00 H new ATOM 0 HB2 ASN A 5 6.065 27.241 14.860 1.00 0.00 H new ATOM 0 HB3 ASN A 5 7.026 25.799 14.596 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.774 27.414 17.946 1.00 0.00 H new ATOM 0 HD22 ASN A 5 6.270 27.011 17.111 1.00 0.00 H new ATOM 118 N GLY A 6 5.779 27.636 11.873 1.00 0.00 N ATOM 119 CA GLY A 6 4.917 27.132 10.829 1.00 0.00 C ATOM 120 C GLY A 6 3.571 26.699 11.366 1.00 0.00 C ATOM 121 O GLY A 6 2.850 25.934 10.726 1.00 0.00 O ATOM 0 H GLY A 6 5.504 28.536 12.267 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.774 27.904 10.072 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.399 26.288 10.336 1.00 0.00 H new ATOM 125 N LYS A 7 3.233 27.197 12.543 1.00 0.00 N ATOM 126 CA LYS A 7 1.936 26.940 13.146 1.00 0.00 C ATOM 127 C LYS A 7 0.830 27.594 12.322 1.00 0.00 C ATOM 128 O LYS A 7 -0.249 27.029 12.153 1.00 0.00 O ATOM 129 CB LYS A 7 1.929 27.469 14.574 1.00 0.00 C ATOM 130 CG LYS A 7 2.730 26.617 15.538 1.00 0.00 C ATOM 131 CD LYS A 7 2.657 27.173 16.947 1.00 0.00 C ATOM 132 CE LYS A 7 3.301 26.243 17.963 1.00 0.00 C ATOM 133 NZ LYS A 7 3.356 26.849 19.317 1.00 0.00 N ATOM 0 H LYS A 7 3.846 27.788 13.105 1.00 0.00 H new ATOM 0 HA LYS A 7 1.752 25.866 13.165 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.329 28.483 14.579 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.899 27.530 14.925 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.351 25.595 15.527 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.770 26.575 15.214 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.152 28.143 16.979 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.614 27.338 17.217 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.740 25.310 18.006 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.311 25.993 17.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.802 26.182 19.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.913 27.727 19.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.391 27.064 19.641 1.00 0.00 H new ATOM 147 N GLY A 8 1.120 28.786 11.806 1.00 0.00 N ATOM 148 CA GLY A 8 0.228 29.453 10.885 1.00 0.00 C ATOM 149 C GLY A 8 0.764 29.395 9.470 1.00 0.00 C ATOM 150 O GLY A 8 0.387 30.194 8.618 1.00 0.00 O ATOM 0 H GLY A 8 1.972 29.305 12.017 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.756 28.986 10.924 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.100 30.493 11.186 1.00 0.00 H new ATOM 154 N TYR A 9 1.675 28.453 9.237 1.00 0.00 N ATOM 155 CA TYR A 9 2.194 28.185 7.906 1.00 0.00 C ATOM 156 C TYR A 9 1.080 27.673 7.003 1.00 0.00 C ATOM 157 O TYR A 9 0.716 26.502 7.060 1.00 0.00 O ATOM 158 CB TYR A 9 3.311 27.142 7.999 1.00 0.00 C ATOM 159 CG TYR A 9 3.746 26.565 6.677 1.00 0.00 C ATOM 160 CD1 TYR A 9 3.803 27.344 5.535 1.00 0.00 C ATOM 161 CD2 TYR A 9 4.075 25.225 6.575 1.00 0.00 C ATOM 162 CE1 TYR A 9 4.166 26.801 4.325 1.00 0.00 C ATOM 163 CE2 TYR A 9 4.449 24.674 5.370 1.00 0.00 C ATOM 164 CZ TYR A 9 4.487 25.467 4.243 1.00 0.00 C ATOM 165 OH TYR A 9 4.829 24.928 3.028 1.00 0.00 O ATOM 0 H TYR A 9 2.070 27.858 9.965 1.00 0.00 H new ATOM 0 HA TYR A 9 2.591 29.107 7.482 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.175 27.597 8.483 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.977 26.328 8.643 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.559 28.394 5.595 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.038 24.601 7.455 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.199 27.421 3.441 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.711 23.628 5.308 1.00 0.00 H new ATOM 0 HH TYR A 9 4.530 23.996 2.988 1.00 0.00 H new ATOM 175 N ARG A 10 0.526 28.552 6.190 1.00 0.00 N ATOM 176 CA ARG A 10 -0.554 28.184 5.283 1.00 0.00 C ATOM 177 C ARG A 10 -0.026 28.064 3.852 1.00 0.00 C ATOM 178 O ARG A 10 -0.634 28.567 2.907 1.00 0.00 O ATOM 179 CB ARG A 10 -1.683 29.221 5.358 1.00 0.00 C ATOM 180 CG ARG A 10 -2.808 28.890 6.345 1.00 0.00 C ATOM 181 CD ARG A 10 -2.360 28.853 7.806 1.00 0.00 C ATOM 182 NE ARG A 10 -1.650 27.622 8.148 1.00 0.00 N ATOM 183 CZ ARG A 10 -1.715 27.025 9.340 1.00 0.00 C ATOM 184 NH1 ARG A 10 -2.618 27.398 10.239 1.00 0.00 N ATOM 185 NH2 ARG A 10 -0.896 26.019 9.612 1.00 0.00 N ATOM 0 H ARG A 10 0.805 29.532 6.136 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.953 27.216 5.584 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.253 30.184 5.632 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.115 29.336 4.364 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.602 29.629 6.237 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.236 27.923 6.082 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.713 29.708 8.005 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.232 28.956 8.452 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.068 27.192 7.430 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.273 28.149 10.022 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.657 26.933 11.146 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.222 25.706 8.913 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.939 25.557 10.521 1.00 0.00 H new ATOM 199 N GLY A 11 1.104 27.379 3.710 1.00 0.00 N ATOM 200 CA GLY A 11 1.767 27.266 2.419 1.00 0.00 C ATOM 201 C GLY A 11 1.426 25.976 1.697 1.00 0.00 C ATOM 202 O GLY A 11 0.421 25.337 2.010 1.00 0.00 O ATOM 0 H GLY A 11 1.578 26.895 4.473 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.484 28.113 1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.846 27.323 2.563 1.00 0.00 H new ATOM 206 N LYS A 12 2.271 25.571 0.753 1.00 0.00 N ATOM 207 CA LYS A 12 1.940 24.470 -0.135 1.00 0.00 C ATOM 208 C LYS A 12 3.178 23.674 -0.489 1.00 0.00 C ATOM 209 O LYS A 12 3.202 22.955 -1.491 1.00 0.00 O ATOM 210 CB LYS A 12 1.299 25.035 -1.395 1.00 0.00 C ATOM 211 CG LYS A 12 2.187 26.033 -2.116 1.00 0.00 C ATOM 212 CD LYS A 12 1.368 26.986 -2.953 1.00 0.00 C ATOM 213 CE LYS A 12 0.562 26.255 -4.016 1.00 0.00 C ATOM 214 NZ LYS A 12 1.438 25.549 -4.988 1.00 0.00 N ATOM 0 H LYS A 12 3.186 25.990 0.587 1.00 0.00 H new ATOM 0 HA LYS A 12 1.244 23.798 0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.058 24.216 -2.072 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.358 25.518 -1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.773 26.595 -1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.894 25.501 -2.752 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.693 27.548 -2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.028 27.709 -3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.102 25.536 -3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.069 26.968 -4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.863 25.193 -5.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.156 26.208 -5.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.909 24.751 -4.515 1.00 0.00 H new ATOM 228 N ARG A 13 4.207 23.806 0.330 1.00 0.00 N ATOM 229 CA ARG A 13 5.397 23.008 0.159 1.00 0.00 C ATOM 230 C ARG A 13 5.051 21.567 0.477 1.00 0.00 C ATOM 231 O ARG A 13 4.298 21.301 1.405 1.00 0.00 O ATOM 232 CB ARG A 13 6.517 23.500 1.066 1.00 0.00 C ATOM 233 CG ARG A 13 6.983 24.915 0.767 1.00 0.00 C ATOM 234 CD ARG A 13 7.775 24.984 -0.523 1.00 0.00 C ATOM 235 NE ARG A 13 8.205 26.347 -0.826 1.00 0.00 N ATOM 236 CZ ARG A 13 9.442 26.666 -1.202 1.00 0.00 C ATOM 237 NH1 ARG A 13 10.400 25.750 -1.183 1.00 0.00 N ATOM 238 NH2 ARG A 13 9.730 27.908 -1.571 1.00 0.00 N ATOM 0 H ARG A 13 4.238 24.457 1.115 1.00 0.00 H new ATOM 0 HA ARG A 13 5.750 23.091 -0.869 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.179 23.452 2.101 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.366 22.823 0.976 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.119 25.576 0.699 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.598 25.277 1.591 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.648 24.336 -0.448 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.166 24.605 -1.344 1.00 0.00 H new ATOM 0 HE ARG A 13 7.519 27.097 -0.745 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.190 24.799 -0.880 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.347 25.996 -1.471 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.002 28.623 -1.567 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.679 28.148 -1.858 1.00 0.00 H new ATOM 252 N VAL A 14 5.578 20.649 -0.299 1.00 0.00 N ATOM 253 CA VAL A 14 5.170 19.251 -0.209 1.00 0.00 C ATOM 254 C VAL A 14 6.379 18.329 -0.322 1.00 0.00 C ATOM 255 O VAL A 14 6.311 17.239 -0.890 1.00 0.00 O ATOM 256 CB VAL A 14 4.137 18.922 -1.306 1.00 0.00 C ATOM 257 CG1 VAL A 14 2.772 19.476 -0.934 1.00 0.00 C ATOM 258 CG2 VAL A 14 4.574 19.511 -2.632 1.00 0.00 C ATOM 0 H VAL A 14 6.292 20.837 -1.003 1.00 0.00 H new ATOM 0 HA VAL A 14 4.707 19.090 0.765 1.00 0.00 H new ATOM 0 HB VAL A 14 4.070 17.838 -1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.055 19.235 -1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.443 19.033 0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.837 20.558 -0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.836 19.271 -3.397 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.661 20.593 -2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.540 19.092 -2.915 1.00 0.00 H new ATOM 268 N THR A 15 7.479 18.793 0.238 1.00 0.00 N ATOM 269 CA THR A 15 8.750 18.106 0.186 1.00 0.00 C ATOM 270 C THR A 15 9.559 18.450 1.424 1.00 0.00 C ATOM 271 O THR A 15 9.557 19.599 1.877 1.00 0.00 O ATOM 272 CB THR A 15 9.526 18.532 -1.059 1.00 0.00 C ATOM 273 OG1 THR A 15 8.861 19.630 -1.701 1.00 0.00 O ATOM 274 CG2 THR A 15 9.648 17.371 -2.013 1.00 0.00 C ATOM 0 H THR A 15 7.513 19.674 0.751 1.00 0.00 H new ATOM 0 HA THR A 15 8.573 17.031 0.146 1.00 0.00 H new ATOM 0 HB THR A 15 10.525 18.851 -0.762 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.366 19.898 -2.497 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.203 17.684 -2.898 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.176 16.552 -1.524 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.653 17.036 -2.308 1.00 0.00 H new ATOM 282 N THR A 16 10.242 17.459 1.963 1.00 0.00 N ATOM 283 CA THR A 16 11.004 17.633 3.177 1.00 0.00 C ATOM 284 C THR A 16 12.294 18.397 2.910 1.00 0.00 C ATOM 285 O THR A 16 12.548 18.839 1.785 1.00 0.00 O ATOM 286 CB THR A 16 11.346 16.267 3.782 1.00 0.00 C ATOM 287 OG1 THR A 16 12.023 15.483 2.796 1.00 0.00 O ATOM 288 CG2 THR A 16 10.093 15.537 4.230 1.00 0.00 C ATOM 0 H THR A 16 10.282 16.518 1.572 1.00 0.00 H new ATOM 0 HA THR A 16 10.394 18.206 3.875 1.00 0.00 H new ATOM 0 HB THR A 16 11.982 16.419 4.654 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.370 15.123 2.160 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.367 14.571 4.655 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.575 16.131 4.983 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.436 15.384 3.374 1.00 0.00 H new ATOM 296 N VAL A 17 13.125 18.523 3.934 1.00 0.00 N ATOM 297 CA VAL A 17 14.421 19.154 3.780 1.00 0.00 C ATOM 298 C VAL A 17 15.357 18.241 3.020 1.00 0.00 C ATOM 299 O VAL A 17 16.417 18.654 2.552 1.00 0.00 O ATOM 300 CB VAL A 17 15.069 19.531 5.122 1.00 0.00 C ATOM 301 CG1 VAL A 17 14.278 20.625 5.819 1.00 0.00 C ATOM 302 CG2 VAL A 17 15.216 18.317 6.025 1.00 0.00 C ATOM 0 H VAL A 17 12.922 18.196 4.879 1.00 0.00 H new ATOM 0 HA VAL A 17 14.251 20.077 3.226 1.00 0.00 H new ATOM 0 HB VAL A 17 16.067 19.913 4.910 1.00 0.00 H new ATOM 0 HG11 VAL A 17 14.757 20.873 6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.246 21.511 5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.262 20.276 6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 17 15.677 18.617 6.966 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.233 17.890 6.223 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.843 17.573 5.535 1.00 0.00 H new ATOM 312 N THR A 18 14.934 17.001 2.883 1.00 0.00 N ATOM 313 CA THR A 18 15.687 16.019 2.142 1.00 0.00 C ATOM 314 C THR A 18 15.203 16.010 0.707 1.00 0.00 C ATOM 315 O THR A 18 15.844 15.444 -0.178 1.00 0.00 O ATOM 316 CB THR A 18 15.487 14.611 2.732 1.00 0.00 C ATOM 317 OG1 THR A 18 14.161 14.152 2.436 1.00 0.00 O ATOM 318 CG2 THR A 18 15.686 14.625 4.239 1.00 0.00 C ATOM 0 H THR A 18 14.063 16.650 3.281 1.00 0.00 H new ATOM 0 HA THR A 18 16.744 16.280 2.197 1.00 0.00 H new ATOM 0 HB THR A 18 16.223 13.942 2.287 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.508 14.715 2.903 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.540 13.620 4.635 1.00 0.00 H new ATOM 0 HG22 THR A 18 16.697 14.962 4.469 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.964 15.303 4.695 1.00 0.00 H new ATOM 326 N GLY A 19 14.058 16.648 0.485 1.00 0.00 N ATOM 327 CA GLY A 19 13.463 16.641 -0.818 1.00 0.00 C ATOM 328 C GLY A 19 12.543 15.462 -0.994 1.00 0.00 C ATOM 329 O GLY A 19 12.060 15.208 -2.096 1.00 0.00 O ATOM 0 H GLY A 19 13.539 17.168 1.193 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.906 17.565 -0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.245 16.611 -1.577 1.00 0.00 H new ATOM 333 N THR A 20 12.305 14.728 0.089 1.00 0.00 N ATOM 334 CA THR A 20 11.347 13.647 0.051 1.00 0.00 C ATOM 335 C THR A 20 9.933 14.214 0.071 1.00 0.00 C ATOM 336 O THR A 20 9.568 14.944 0.991 1.00 0.00 O ATOM 337 CB THR A 20 11.525 12.690 1.240 1.00 0.00 C ATOM 338 OG1 THR A 20 12.825 12.084 1.193 1.00 0.00 O ATOM 339 CG2 THR A 20 10.453 11.614 1.222 1.00 0.00 C ATOM 0 H THR A 20 12.761 14.866 0.991 1.00 0.00 H new ATOM 0 HA THR A 20 11.516 13.085 -0.868 1.00 0.00 H new ATOM 0 HB THR A 20 11.430 13.263 2.163 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.479 12.678 1.617 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.594 10.945 2.071 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.469 12.079 1.286 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.525 11.044 0.296 1.00 0.00 H new ATOM 347 N PRO A 21 9.138 13.928 -0.968 1.00 0.00 N ATOM 348 CA PRO A 21 7.731 14.320 -1.020 1.00 0.00 C ATOM 349 C PRO A 21 6.982 13.993 0.254 1.00 0.00 C ATOM 350 O PRO A 21 6.960 12.837 0.695 1.00 0.00 O ATOM 351 CB PRO A 21 7.191 13.462 -2.141 1.00 0.00 C ATOM 352 CG PRO A 21 8.332 13.341 -3.077 1.00 0.00 C ATOM 353 CD PRO A 21 9.549 13.219 -2.199 1.00 0.00 C ATOM 0 HA PRO A 21 7.618 15.395 -1.159 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.867 12.487 -1.777 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.329 13.926 -2.620 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.222 12.469 -3.722 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.402 14.212 -3.728 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.802 12.177 -2.001 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.425 13.678 -2.657 1.00 0.00 H new ATOM 361 N CYS A 22 6.384 15.005 0.848 1.00 0.00 N ATOM 362 CA CYS A 22 5.527 14.791 1.996 1.00 0.00 C ATOM 363 C CYS A 22 4.339 13.926 1.618 1.00 0.00 C ATOM 364 O CYS A 22 3.732 14.093 0.556 1.00 0.00 O ATOM 365 CB CYS A 22 5.050 16.118 2.576 1.00 0.00 C ATOM 366 SG CYS A 22 6.413 17.180 3.120 1.00 0.00 S ATOM 0 H CYS A 22 6.474 15.978 0.557 1.00 0.00 H new ATOM 0 HA CYS A 22 6.109 14.274 2.759 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.462 16.646 1.826 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.389 15.923 3.420 1.00 0.00 H new ATOM 371 N GLN A 23 4.058 12.972 2.480 1.00 0.00 N ATOM 372 CA GLN A 23 2.895 12.125 2.362 1.00 0.00 C ATOM 373 C GLN A 23 1.659 12.945 2.604 1.00 0.00 C ATOM 374 O GLN A 23 1.727 14.039 3.165 1.00 0.00 O ATOM 375 CB GLN A 23 2.947 11.039 3.420 1.00 0.00 C ATOM 376 CG GLN A 23 1.975 9.898 3.207 1.00 0.00 C ATOM 377 CD GLN A 23 2.095 8.881 4.308 1.00 0.00 C ATOM 378 OE1 GLN A 23 2.923 7.994 4.232 1.00 0.00 O ATOM 379 NE2 GLN A 23 1.223 8.955 5.296 1.00 0.00 N ATOM 0 H GLN A 23 4.639 12.762 3.291 1.00 0.00 H new ATOM 0 HA GLN A 23 2.876 11.684 1.366 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.958 10.634 3.456 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.749 11.489 4.393 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.956 10.284 3.172 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.169 9.424 2.245 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.545 9.716 5.322 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.227 8.251 6.034 1.00 0.00 H new ATOM 388 N ASP A 24 0.533 12.397 2.232 1.00 0.00 N ATOM 389 CA ASP A 24 -0.712 13.050 2.487 1.00 0.00 C ATOM 390 C ASP A 24 -1.010 12.851 3.948 1.00 0.00 C ATOM 391 O ASP A 24 -0.970 11.725 4.451 1.00 0.00 O ATOM 392 CB ASP A 24 -1.844 12.469 1.632 1.00 0.00 C ATOM 393 CG ASP A 24 -1.630 12.660 0.143 1.00 0.00 C ATOM 394 OD1 ASP A 24 -1.990 13.731 -0.382 1.00 0.00 O ATOM 395 OD2 ASP A 24 -1.123 11.724 -0.520 1.00 0.00 O ATOM 0 H ASP A 24 0.458 11.500 1.752 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.641 14.107 2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.941 11.404 1.844 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.785 12.938 1.920 1.00 0.00 H new ATOM 400 N TRP A 25 -1.246 13.945 4.638 1.00 0.00 N ATOM 401 CA TRP A 25 -1.674 13.894 6.022 1.00 0.00 C ATOM 402 C TRP A 25 -2.894 12.997 6.118 1.00 0.00 C ATOM 403 O TRP A 25 -3.117 12.315 7.112 1.00 0.00 O ATOM 404 CB TRP A 25 -2.019 15.296 6.512 1.00 0.00 C ATOM 405 CG TRP A 25 -0.960 16.307 6.215 1.00 0.00 C ATOM 406 CD1 TRP A 25 -0.857 17.070 5.097 1.00 0.00 C ATOM 407 CD2 TRP A 25 0.140 16.674 7.050 1.00 0.00 C ATOM 408 NE1 TRP A 25 0.243 17.875 5.184 1.00 0.00 N ATOM 409 CE2 TRP A 25 0.868 17.660 6.379 1.00 0.00 C ATOM 410 CE3 TRP A 25 0.570 16.260 8.297 1.00 0.00 C ATOM 411 CZ2 TRP A 25 2.010 18.246 6.924 1.00 0.00 C ATOM 412 CZ3 TRP A 25 1.698 16.836 8.849 1.00 0.00 C ATOM 413 CH2 TRP A 25 2.409 17.822 8.164 1.00 0.00 C ATOM 0 H TRP A 25 -1.148 14.888 4.262 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.872 13.497 6.644 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -2.954 15.614 6.050 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -2.189 15.265 7.588 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.543 17.044 4.263 1.00 0.00 H new ATOM 0 HE1 TRP A 25 0.550 18.534 4.468 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.030 15.494 8.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 2.560 19.006 6.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.034 16.518 9.825 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.287 18.257 8.618 1.00 0.00 H new ATOM 424 N ALA A 26 -3.662 13.011 5.046 1.00 0.00 N ATOM 425 CA ALA A 26 -4.844 12.177 4.918 1.00 0.00 C ATOM 426 C ALA A 26 -4.518 10.713 4.590 1.00 0.00 C ATOM 427 O ALA A 26 -5.359 9.838 4.807 1.00 0.00 O ATOM 428 CB ALA A 26 -5.774 12.754 3.862 1.00 0.00 C ATOM 0 H ALA A 26 -3.484 13.603 4.235 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.336 12.177 5.891 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.658 12.123 3.772 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.075 13.761 4.153 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.257 12.793 2.903 1.00 0.00 H new ATOM 434 N ALA A 27 -3.314 10.412 4.081 1.00 0.00 N ATOM 435 CA ALA A 27 -3.033 9.070 3.634 1.00 0.00 C ATOM 436 C ALA A 27 -2.220 8.366 4.681 1.00 0.00 C ATOM 437 O ALA A 27 -1.469 8.992 5.394 1.00 0.00 O ATOM 438 CB ALA A 27 -2.290 9.086 2.308 1.00 0.00 C ATOM 0 H ALA A 27 -2.545 11.074 3.976 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.973 8.539 3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.089 8.063 1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.900 9.586 1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.348 9.621 2.425 1.00 0.00 H new ATOM 444 N GLN A 28 -2.372 7.075 4.767 1.00 0.00 N ATOM 445 CA GLN A 28 -1.632 6.260 5.695 1.00 0.00 C ATOM 446 C GLN A 28 -0.568 5.575 4.880 1.00 0.00 C ATOM 447 O GLN A 28 -0.187 4.435 5.138 1.00 0.00 O ATOM 448 CB GLN A 28 -2.554 5.208 6.318 1.00 0.00 C ATOM 449 CG GLN A 28 -3.814 5.776 6.945 1.00 0.00 C ATOM 450 CD GLN A 28 -3.505 6.720 8.076 1.00 0.00 C ATOM 451 OE1 GLN A 28 -3.355 6.298 9.214 1.00 0.00 O ATOM 452 NE2 GLN A 28 -3.415 8.004 7.776 1.00 0.00 N ATOM 0 H GLN A 28 -3.024 6.548 4.186 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.208 6.857 6.502 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.837 4.489 5.550 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.999 4.660 7.079 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.393 6.299 6.184 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.435 4.960 7.314 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.547 8.313 6.813 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.213 8.686 8.507 1.00 0.00 H new ATOM 461 N GLU A 29 -0.099 6.293 3.874 1.00 0.00 N ATOM 462 CA GLU A 29 0.526 5.644 2.757 1.00 0.00 C ATOM 463 C GLU A 29 1.733 6.373 2.191 1.00 0.00 C ATOM 464 O GLU A 29 1.610 7.465 1.648 1.00 0.00 O ATOM 465 CB GLU A 29 -0.521 5.470 1.669 1.00 0.00 C ATOM 466 CG GLU A 29 -1.534 4.374 1.950 1.00 0.00 C ATOM 467 CD GLU A 29 -2.289 3.960 0.706 1.00 0.00 C ATOM 468 OE1 GLU A 29 -3.197 4.700 0.280 1.00 0.00 O ATOM 469 OE2 GLU A 29 -1.964 2.898 0.137 1.00 0.00 O ATOM 0 H GLU A 29 -0.142 7.310 3.816 1.00 0.00 H new ATOM 0 HA GLU A 29 0.911 4.690 3.119 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.051 6.413 1.536 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.017 5.251 0.727 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.022 3.507 2.367 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.241 4.720 2.704 1.00 0.00 H new ATOM 476 N PRO A 30 2.917 5.734 2.252 1.00 0.00 N ATOM 477 CA PRO A 30 3.086 4.394 2.811 1.00 0.00 C ATOM 478 C PRO A 30 3.435 4.408 4.301 1.00 0.00 C ATOM 479 O PRO A 30 4.181 3.559 4.789 1.00 0.00 O ATOM 480 CB PRO A 30 4.252 3.828 1.995 1.00 0.00 C ATOM 481 CG PRO A 30 4.958 5.006 1.382 1.00 0.00 C ATOM 482 CD PRO A 30 4.186 6.253 1.745 1.00 0.00 C ATOM 0 HA PRO A 30 2.168 3.810 2.750 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.929 3.258 2.631 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.891 3.148 1.223 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.982 5.071 1.750 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.015 4.895 0.299 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.708 6.843 2.498 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.038 6.900 0.880 1.00 0.00 H new ATOM 490 N HIS A 31 2.903 5.386 5.012 1.00 0.00 N ATOM 491 CA HIS A 31 3.117 5.514 6.440 1.00 0.00 C ATOM 492 C HIS A 31 1.774 5.702 7.105 1.00 0.00 C ATOM 493 O HIS A 31 1.124 6.747 6.948 1.00 0.00 O ATOM 494 CB HIS A 31 4.057 6.691 6.758 1.00 0.00 C ATOM 495 CG HIS A 31 5.410 6.547 6.135 1.00 0.00 C ATOM 496 ND1 HIS A 31 5.625 6.695 4.789 1.00 0.00 N ATOM 497 CD2 HIS A 31 6.611 6.243 6.673 1.00 0.00 C ATOM 498 CE1 HIS A 31 6.897 6.482 4.522 1.00 0.00 C ATOM 499 NE2 HIS A 31 7.523 6.210 5.647 1.00 0.00 N ATOM 0 H HIS A 31 2.310 6.114 4.614 1.00 0.00 H new ATOM 0 HA HIS A 31 3.597 4.612 6.821 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.600 7.617 6.410 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.169 6.777 7.839 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.816 6.060 7.717 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.351 6.524 3.543 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.518 6.008 5.741 1.00 0.00 H new ATOM 508 N ARG A 32 1.323 4.671 7.791 1.00 0.00 N ATOM 509 CA ARG A 32 0.032 4.721 8.435 1.00 0.00 C ATOM 510 C ARG A 32 0.105 5.602 9.673 1.00 0.00 C ATOM 511 O ARG A 32 0.873 5.346 10.598 1.00 0.00 O ATOM 512 CB ARG A 32 -0.491 3.309 8.757 1.00 0.00 C ATOM 513 CG ARG A 32 0.590 2.268 9.033 1.00 0.00 C ATOM 514 CD ARG A 32 1.162 2.382 10.437 1.00 0.00 C ATOM 515 NE ARG A 32 2.191 1.377 10.690 1.00 0.00 N ATOM 516 CZ ARG A 32 2.509 0.931 11.904 1.00 0.00 C ATOM 517 NH1 ARG A 32 1.857 1.374 12.972 1.00 0.00 N ATOM 518 NH2 ARG A 32 3.469 0.025 12.051 1.00 0.00 N ATOM 0 H ARG A 32 1.830 3.795 7.915 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.687 5.165 7.747 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.146 3.370 9.626 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.101 2.965 7.922 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.173 1.270 8.894 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.394 2.382 8.306 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.584 3.377 10.577 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.359 2.271 11.166 1.00 0.00 H new ATOM 0 HE ARG A 32 2.696 0.994 9.890 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.109 2.059 12.865 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.104 1.029 13.900 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.964 -0.331 11.233 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.711 -0.315 12.982 1.00 0.00 H new ATOM 532 N HIS A 33 -0.673 6.668 9.662 1.00 0.00 N ATOM 533 CA HIS A 33 -0.640 7.644 10.737 1.00 0.00 C ATOM 534 C HIS A 33 -2.025 8.249 10.933 1.00 0.00 C ATOM 535 O HIS A 33 -2.466 9.124 10.188 1.00 0.00 O ATOM 536 CB HIS A 33 0.399 8.744 10.457 1.00 0.00 C ATOM 537 CG HIS A 33 0.047 9.594 9.285 1.00 0.00 C ATOM 538 ND1 HIS A 33 -0.133 10.944 9.360 1.00 0.00 N ATOM 539 CD2 HIS A 33 -0.229 9.257 8.028 1.00 0.00 C ATOM 540 CE1 HIS A 33 -0.511 11.412 8.198 1.00 0.00 C ATOM 541 NE2 HIS A 33 -0.570 10.408 7.362 1.00 0.00 N ATOM 0 H HIS A 33 -1.338 6.881 8.918 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.344 7.136 11.654 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.498 9.375 11.340 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.371 8.282 10.285 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.192 8.262 7.609 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.734 12.444 7.970 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.827 10.470 6.377 1.00 0.00 H new ATOM 550 N SER A 34 -2.721 7.743 11.908 1.00 0.00 N ATOM 551 CA SER A 34 -4.021 8.283 12.278 1.00 0.00 C ATOM 552 C SER A 34 -3.831 9.534 13.141 1.00 0.00 C ATOM 553 O SER A 34 -4.627 9.826 14.031 1.00 0.00 O ATOM 554 CB SER A 34 -4.842 7.226 13.030 1.00 0.00 C ATOM 555 OG SER A 34 -6.210 7.600 13.126 1.00 0.00 O ATOM 0 H SER A 34 -2.417 6.950 12.473 1.00 0.00 H new ATOM 0 HA SER A 34 -4.566 8.557 11.375 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.761 6.268 12.517 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.431 7.088 14.030 1.00 0.00 H new ATOM 0 HG SER A 34 -6.276 8.508 13.489 1.00 0.00 H new ATOM 561 N ILE A 35 -2.763 10.268 12.858 1.00 0.00 N ATOM 562 CA ILE A 35 -2.383 11.430 13.617 1.00 0.00 C ATOM 563 C ILE A 35 -1.859 12.468 12.658 1.00 0.00 C ATOM 564 O ILE A 35 -1.262 12.123 11.631 1.00 0.00 O ATOM 565 CB ILE A 35 -1.305 11.113 14.676 1.00 0.00 C ATOM 566 CG1 ILE A 35 -0.120 10.396 14.026 1.00 0.00 C ATOM 567 CG2 ILE A 35 -1.889 10.281 15.805 1.00 0.00 C ATOM 568 CD1 ILE A 35 1.011 10.081 14.986 1.00 0.00 C ATOM 0 H ILE A 35 -2.134 10.062 12.082 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.260 11.794 14.153 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.949 12.051 15.101 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.472 9.467 13.578 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.266 11.015 13.216 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.113 10.069 16.540 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.699 10.833 16.282 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.275 9.344 15.404 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.813 9.573 14.450 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.392 11.007 15.416 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.642 9.436 15.783 1.00 0.00 H new ATOM 580 N PHE A 36 -2.078 13.723 12.995 1.00 0.00 N ATOM 581 CA PHE A 36 -1.741 14.824 12.136 1.00 0.00 C ATOM 582 C PHE A 36 -2.349 14.642 10.755 1.00 0.00 C ATOM 583 O PHE A 36 -1.693 14.800 9.729 1.00 0.00 O ATOM 584 CB PHE A 36 -0.232 15.017 12.097 1.00 0.00 C ATOM 585 CG PHE A 36 0.373 15.041 13.472 1.00 0.00 C ATOM 586 CD1 PHE A 36 0.240 16.158 14.279 1.00 0.00 C ATOM 587 CD2 PHE A 36 1.059 13.945 13.962 1.00 0.00 C ATOM 588 CE1 PHE A 36 0.785 16.181 15.546 1.00 0.00 C ATOM 589 CE2 PHE A 36 1.604 13.960 15.230 1.00 0.00 C ATOM 590 CZ PHE A 36 1.467 15.081 16.022 1.00 0.00 C ATOM 0 H PHE A 36 -2.499 14.002 13.881 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.171 15.740 12.542 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.221 14.213 11.517 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.000 15.950 11.583 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.296 17.021 13.913 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.170 13.066 13.345 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.678 17.060 16.165 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.136 13.097 15.601 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.894 15.097 17.014 1.00 0.00 H new ATOM 600 N THR A 37 -3.613 14.263 10.762 1.00 0.00 N ATOM 601 CA THR A 37 -4.425 14.253 9.569 1.00 0.00 C ATOM 602 C THR A 37 -5.278 15.517 9.551 1.00 0.00 C ATOM 603 O THR A 37 -5.295 16.264 10.536 1.00 0.00 O ATOM 604 CB THR A 37 -5.362 13.022 9.534 1.00 0.00 C ATOM 605 OG1 THR A 37 -6.443 13.201 10.465 1.00 0.00 O ATOM 606 CG2 THR A 37 -4.607 11.744 9.878 1.00 0.00 C ATOM 0 H THR A 37 -4.104 13.953 11.601 1.00 0.00 H new ATOM 0 HA THR A 37 -3.766 14.209 8.702 1.00 0.00 H new ATOM 0 HB THR A 37 -5.756 12.930 8.522 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.840 12.330 10.677 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.292 10.897 9.845 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.805 11.590 9.157 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.184 11.830 10.879 1.00 0.00 H new ATOM 614 N PRO A 38 -5.996 15.788 8.457 1.00 0.00 N ATOM 615 CA PRO A 38 -6.967 16.882 8.422 1.00 0.00 C ATOM 616 C PRO A 38 -8.075 16.692 9.459 1.00 0.00 C ATOM 617 O PRO A 38 -8.749 17.647 9.852 1.00 0.00 O ATOM 618 CB PRO A 38 -7.563 16.805 7.018 1.00 0.00 C ATOM 619 CG PRO A 38 -6.600 16.001 6.211 1.00 0.00 C ATOM 620 CD PRO A 38 -5.890 15.088 7.170 1.00 0.00 C ATOM 0 HA PRO A 38 -6.498 17.840 8.648 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.546 16.335 7.036 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.693 17.800 6.593 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.122 15.427 5.445 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.891 16.649 5.696 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.359 14.105 7.209 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.850 14.934 6.882 1.00 0.00 H new ATOM 628 N GLU A 39 -8.249 15.452 9.907 1.00 0.00 N ATOM 629 CA GLU A 39 -9.336 15.111 10.814 1.00 0.00 C ATOM 630 C GLU A 39 -8.897 15.234 12.265 1.00 0.00 C ATOM 631 O GLU A 39 -9.679 15.637 13.127 1.00 0.00 O ATOM 632 CB GLU A 39 -9.846 13.689 10.544 1.00 0.00 C ATOM 633 CG GLU A 39 -10.735 13.558 9.312 1.00 0.00 C ATOM 634 CD GLU A 39 -10.036 13.929 8.021 1.00 0.00 C ATOM 635 OE1 GLU A 39 -9.080 13.225 7.632 1.00 0.00 O ATOM 636 OE2 GLU A 39 -10.458 14.914 7.375 1.00 0.00 O ATOM 0 H GLU A 39 -7.649 14.667 9.655 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.147 15.817 10.635 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.989 13.025 10.430 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.402 13.345 11.416 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.093 12.531 9.240 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.612 14.194 9.437 1.00 0.00 H new ATOM 643 N THR A 40 -7.648 14.894 12.542 1.00 0.00 N ATOM 644 CA THR A 40 -7.144 14.957 13.901 1.00 0.00 C ATOM 645 C THR A 40 -6.637 16.355 14.215 1.00 0.00 C ATOM 646 O THR A 40 -6.610 16.771 15.374 1.00 0.00 O ATOM 647 CB THR A 40 -6.015 13.936 14.139 1.00 0.00 C ATOM 648 OG1 THR A 40 -4.958 14.145 13.194 1.00 0.00 O ATOM 649 CG2 THR A 40 -6.537 12.513 14.020 1.00 0.00 C ATOM 0 H THR A 40 -6.971 14.574 11.849 1.00 0.00 H new ATOM 0 HA THR A 40 -7.973 14.711 14.565 1.00 0.00 H new ATOM 0 HB THR A 40 -5.632 14.080 15.149 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.399 14.894 13.488 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.721 11.811 14.192 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.319 12.349 14.761 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.945 12.357 13.021 1.00 0.00 H new ATOM 657 N ASN A 41 -6.244 17.086 13.177 1.00 0.00 N ATOM 658 CA ASN A 41 -5.707 18.427 13.357 1.00 0.00 C ATOM 659 C ASN A 41 -6.351 19.402 12.384 1.00 0.00 C ATOM 660 O ASN A 41 -5.684 19.972 11.525 1.00 0.00 O ATOM 661 CB ASN A 41 -4.190 18.416 13.170 1.00 0.00 C ATOM 662 CG ASN A 41 -3.492 17.571 14.209 1.00 0.00 C ATOM 663 OD1 ASN A 41 -3.407 16.350 14.083 1.00 0.00 O ATOM 664 ND2 ASN A 41 -2.971 18.216 15.234 1.00 0.00 N ATOM 0 H ASN A 41 -6.287 16.773 12.207 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.936 18.756 14.371 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.951 18.037 12.176 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.812 19.437 13.221 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.474 17.701 15.961 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.065 19.230 15.300 1.00 0.00 H new ATOM 671 N PRO A 42 -7.657 19.641 12.523 1.00 0.00 N ATOM 672 CA PRO A 42 -8.389 20.533 11.624 1.00 0.00 C ATOM 673 C PRO A 42 -8.105 22.005 11.917 1.00 0.00 C ATOM 674 O PRO A 42 -8.805 22.892 11.436 1.00 0.00 O ATOM 675 CB PRO A 42 -9.853 20.195 11.912 1.00 0.00 C ATOM 676 CG PRO A 42 -9.867 19.709 13.323 1.00 0.00 C ATOM 677 CD PRO A 42 -8.527 19.066 13.568 1.00 0.00 C ATOM 0 HA PRO A 42 -8.105 20.394 10.581 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.491 21.070 11.790 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.224 19.432 11.228 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.034 20.534 14.016 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.675 18.994 13.479 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.153 19.291 14.567 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.584 17.981 13.486 1.00 0.00 H new ATOM 685 N ARG A 43 -7.069 22.255 12.710 1.00 0.00 N ATOM 686 CA ARG A 43 -6.731 23.599 13.119 1.00 0.00 C ATOM 687 C ARG A 43 -5.530 24.140 12.352 1.00 0.00 C ATOM 688 O ARG A 43 -5.337 25.352 12.269 1.00 0.00 O ATOM 689 CB ARG A 43 -6.438 23.592 14.611 1.00 0.00 C ATOM 690 CG ARG A 43 -5.270 22.696 14.991 1.00 0.00 C ATOM 691 CD ARG A 43 -5.325 22.332 16.458 1.00 0.00 C ATOM 692 NE ARG A 43 -5.926 21.018 16.690 1.00 0.00 N ATOM 693 CZ ARG A 43 -7.145 20.836 17.198 1.00 0.00 C ATOM 694 NH1 ARG A 43 -7.891 21.880 17.542 1.00 0.00 N ATOM 695 NH2 ARG A 43 -7.604 19.605 17.384 1.00 0.00 N ATOM 0 H ARG A 43 -6.450 21.534 13.081 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.574 24.254 12.899 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.227 24.610 14.937 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.328 23.264 15.147 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.290 21.789 14.386 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.331 23.204 14.773 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.316 22.343 16.869 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.897 23.089 16.995 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.379 20.192 16.448 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.532 22.827 17.418 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.823 21.735 17.930 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.025 18.802 17.139 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.536 19.462 17.772 1.00 0.00 H new ATOM 709 N ALA A 44 -4.714 23.251 11.788 1.00 0.00 N ATOM 710 CA ALA A 44 -3.505 23.693 11.122 1.00 0.00 C ATOM 711 C ALA A 44 -3.623 23.570 9.612 1.00 0.00 C ATOM 712 O ALA A 44 -2.704 23.916 8.877 1.00 0.00 O ATOM 713 CB ALA A 44 -2.291 22.937 11.639 1.00 0.00 C ATOM 0 H ALA A 44 -4.868 22.243 11.781 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.369 24.749 11.354 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.397 23.288 11.123 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.183 23.110 12.710 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.421 21.871 11.455 1.00 0.00 H new ATOM 719 N GLY A 45 -4.768 23.078 9.162 1.00 0.00 N ATOM 720 CA GLY A 45 -5.035 22.977 7.740 1.00 0.00 C ATOM 721 C GLY A 45 -4.157 21.960 7.054 1.00 0.00 C ATOM 722 O GLY A 45 -3.582 22.229 6.001 1.00 0.00 O ATOM 0 H GLY A 45 -5.523 22.744 9.761 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.081 22.709 7.589 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.885 23.952 7.276 1.00 0.00 H new ATOM 726 N LEU A 46 -4.048 20.792 7.664 1.00 0.00 N ATOM 727 CA LEU A 46 -3.231 19.712 7.129 1.00 0.00 C ATOM 728 C LEU A 46 -3.930 19.030 5.965 1.00 0.00 C ATOM 729 O LEU A 46 -4.320 17.869 6.059 1.00 0.00 O ATOM 730 CB LEU A 46 -2.929 18.674 8.214 1.00 0.00 C ATOM 731 CG LEU A 46 -2.123 19.185 9.412 1.00 0.00 C ATOM 732 CD1 LEU A 46 -3.001 19.940 10.383 1.00 0.00 C ATOM 733 CD2 LEU A 46 -1.437 18.037 10.118 1.00 0.00 C ATOM 0 H LEU A 46 -4.520 20.565 8.539 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.296 20.149 6.778 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.874 18.271 8.579 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.385 17.847 7.759 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.366 19.872 9.033 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.399 20.289 11.222 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.451 20.795 9.878 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.788 19.281 10.751 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.869 18.419 10.966 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.186 17.328 10.472 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.761 17.535 9.425 1.00 0.00 H new ATOM 745 N GLU A 47 -4.087 19.746 4.869 1.00 0.00 N ATOM 746 CA GLU A 47 -4.752 19.204 3.712 1.00 0.00 C ATOM 747 C GLU A 47 -3.747 18.620 2.739 1.00 0.00 C ATOM 748 O GLU A 47 -2.604 19.077 2.664 1.00 0.00 O ATOM 749 CB GLU A 47 -5.596 20.273 3.025 1.00 0.00 C ATOM 750 CG GLU A 47 -4.953 21.648 2.953 1.00 0.00 C ATOM 751 CD GLU A 47 -5.903 22.687 2.397 1.00 0.00 C ATOM 752 OE1 GLU A 47 -6.298 22.566 1.220 1.00 0.00 O ATOM 753 OE2 GLU A 47 -6.288 23.612 3.145 1.00 0.00 O ATOM 0 H GLU A 47 -3.760 20.706 4.760 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.413 18.404 4.046 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.823 19.941 2.012 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.546 20.359 3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.628 21.949 3.949 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.062 21.600 2.328 1.00 0.00 H new ATOM 760 N LYS A 48 -4.197 17.619 1.989 1.00 0.00 N ATOM 761 CA LYS A 48 -3.362 16.914 1.035 1.00 0.00 C ATOM 762 C LYS A 48 -2.034 16.505 1.654 1.00 0.00 C ATOM 763 O LYS A 48 -1.997 15.656 2.541 1.00 0.00 O ATOM 764 CB LYS A 48 -3.154 17.766 -0.213 1.00 0.00 C ATOM 765 CG LYS A 48 -4.383 17.832 -1.120 1.00 0.00 C ATOM 766 CD LYS A 48 -5.589 18.446 -0.422 1.00 0.00 C ATOM 767 CE LYS A 48 -6.851 18.342 -1.265 1.00 0.00 C ATOM 768 NZ LYS A 48 -7.171 16.934 -1.622 1.00 0.00 N ATOM 0 H LYS A 48 -5.157 17.276 2.030 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.875 15.997 0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.881 18.777 0.089 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.315 17.365 -0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.144 18.417 -2.008 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.635 16.827 -1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.749 17.945 0.533 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.386 19.494 -0.202 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.688 18.776 -0.719 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.727 18.927 -2.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.165 16.869 -1.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.555 16.625 -2.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.017 16.323 -0.795 1.00 0.00 H new ATOM 782 N ASN A 49 -0.957 17.137 1.219 1.00 0.00 N ATOM 783 CA ASN A 49 0.360 16.836 1.744 1.00 0.00 C ATOM 784 C ASN A 49 1.171 18.111 1.919 1.00 0.00 C ATOM 785 O ASN A 49 2.393 18.071 2.044 1.00 0.00 O ATOM 786 CB ASN A 49 1.095 15.850 0.833 1.00 0.00 C ATOM 787 CG ASN A 49 1.388 16.388 -0.554 1.00 0.00 C ATOM 788 OD1 ASN A 49 0.626 17.180 -1.112 1.00 0.00 O ATOM 789 ND2 ASN A 49 2.505 15.952 -1.125 1.00 0.00 N ATOM 0 H ASN A 49 -0.971 17.863 0.502 1.00 0.00 H new ATOM 0 HA ASN A 49 0.238 16.370 2.722 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.035 15.566 1.307 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.498 14.943 0.740 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.759 16.273 -2.059 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.109 15.296 -0.629 1.00 0.00 H new ATOM 796 N TYR A 50 0.476 19.245 1.936 1.00 0.00 N ATOM 797 CA TYR A 50 1.134 20.540 2.134 1.00 0.00 C ATOM 798 C TYR A 50 1.704 20.614 3.542 1.00 0.00 C ATOM 799 O TYR A 50 0.979 20.415 4.511 1.00 0.00 O ATOM 800 CB TYR A 50 0.152 21.695 1.930 1.00 0.00 C ATOM 801 CG TYR A 50 -0.701 21.569 0.690 1.00 0.00 C ATOM 802 CD1 TYR A 50 -0.146 21.662 -0.579 1.00 0.00 C ATOM 803 CD2 TYR A 50 -2.067 21.353 0.793 1.00 0.00 C ATOM 804 CE1 TYR A 50 -0.930 21.540 -1.709 1.00 0.00 C ATOM 805 CE2 TYR A 50 -2.858 21.232 -0.328 1.00 0.00 C ATOM 806 CZ TYR A 50 -2.285 21.324 -1.579 1.00 0.00 C ATOM 807 OH TYR A 50 -3.064 21.193 -2.704 1.00 0.00 O ATOM 0 H TYR A 50 -0.536 19.298 1.816 1.00 0.00 H new ATOM 0 HA TYR A 50 1.934 20.629 1.399 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.500 21.761 2.801 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.712 22.629 1.879 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.915 21.832 -0.684 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.519 21.278 1.771 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.484 21.613 -2.690 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.920 21.066 -0.228 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.996 21.044 -2.441 1.00 0.00 H new ATOM 817 N CYS A 51 2.991 20.925 3.642 1.00 0.00 N ATOM 818 CA CYS A 51 3.706 20.897 4.906 1.00 0.00 C ATOM 819 C CYS A 51 3.016 21.729 5.965 1.00 0.00 C ATOM 820 O CYS A 51 2.356 22.723 5.656 1.00 0.00 O ATOM 821 CB CYS A 51 5.126 21.399 4.706 1.00 0.00 C ATOM 822 SG CYS A 51 6.139 20.311 3.669 1.00 0.00 S ATOM 0 H CYS A 51 3.566 21.203 2.847 1.00 0.00 H new ATOM 0 HA CYS A 51 3.722 19.864 5.253 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.092 22.390 4.254 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.604 21.509 5.679 1.00 0.00 H new ATOM 827 N ARG A 52 3.189 21.325 7.216 1.00 0.00 N ATOM 828 CA ARG A 52 2.524 21.977 8.332 1.00 0.00 C ATOM 829 C ARG A 52 3.315 21.803 9.608 1.00 0.00 C ATOM 830 O ARG A 52 4.230 20.990 9.672 1.00 0.00 O ATOM 831 CB ARG A 52 1.116 21.409 8.535 1.00 0.00 C ATOM 832 CG ARG A 52 0.100 21.969 7.566 1.00 0.00 C ATOM 833 CD ARG A 52 0.222 23.479 7.507 1.00 0.00 C ATOM 834 NE ARG A 52 -0.921 24.108 6.877 1.00 0.00 N ATOM 835 CZ ARG A 52 -1.038 24.323 5.563 1.00 0.00 C ATOM 836 NH1 ARG A 52 -0.067 23.955 4.733 1.00 0.00 N ATOM 837 NH2 ARG A 52 -2.125 24.908 5.078 1.00 0.00 N ATOM 0 H ARG A 52 3.788 20.544 7.483 1.00 0.00 H new ATOM 0 HA ARG A 52 2.454 23.039 8.095 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.150 20.325 8.428 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.790 21.619 9.554 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.257 21.544 6.575 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.906 21.688 7.878 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.335 23.870 8.518 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.126 23.745 6.959 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.689 24.407 7.477 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.773 23.506 5.098 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.162 24.122 3.731 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.874 25.195 5.708 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.212 25.071 4.075 1.00 0.00 H new ATOM 851 N ASN A 53 2.976 22.577 10.622 1.00 0.00 N ATOM 852 CA ASN A 53 3.562 22.364 11.926 1.00 0.00 C ATOM 853 C ASN A 53 2.469 22.334 12.991 1.00 0.00 C ATOM 854 O ASN A 53 2.285 23.308 13.721 1.00 0.00 O ATOM 855 CB ASN A 53 4.590 23.451 12.252 1.00 0.00 C ATOM 856 CG ASN A 53 5.633 22.952 13.223 1.00 0.00 C ATOM 857 OD1 ASN A 53 5.422 21.944 13.896 1.00 0.00 O ATOM 858 ND2 ASN A 53 6.746 23.666 13.324 1.00 0.00 N ATOM 0 H ASN A 53 2.308 23.346 10.568 1.00 0.00 H new ATOM 0 HA ASN A 53 4.078 21.404 11.916 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.075 23.782 11.334 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.083 24.318 12.675 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.473 23.386 13.982 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.875 24.495 12.744 1.00 0.00 H new ATOM 865 N PRO A 54 1.720 21.211 13.087 1.00 0.00 N ATOM 866 CA PRO A 54 0.645 21.053 14.074 1.00 0.00 C ATOM 867 C PRO A 54 1.130 21.273 15.494 1.00 0.00 C ATOM 868 O PRO A 54 0.420 21.833 16.330 1.00 0.00 O ATOM 869 CB PRO A 54 0.191 19.602 13.908 1.00 0.00 C ATOM 870 CG PRO A 54 0.623 19.205 12.544 1.00 0.00 C ATOM 871 CD PRO A 54 1.860 20.011 12.239 1.00 0.00 C ATOM 0 HA PRO A 54 -0.148 21.783 13.911 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.642 18.961 14.665 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.890 19.514 14.019 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.834 18.137 12.499 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.161 19.406 11.814 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.767 19.456 12.478 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.916 20.273 11.182 1.00 0.00 H new ATOM 879 N ASP A 55 2.356 20.850 15.756 1.00 0.00 N ATOM 880 CA ASP A 55 2.901 20.923 17.095 1.00 0.00 C ATOM 881 C ASP A 55 3.730 22.176 17.273 1.00 0.00 C ATOM 882 O ASP A 55 4.081 22.557 18.388 1.00 0.00 O ATOM 883 CB ASP A 55 3.744 19.691 17.423 1.00 0.00 C ATOM 884 CG ASP A 55 2.922 18.423 17.508 1.00 0.00 C ATOM 885 OD1 ASP A 55 1.792 18.471 18.042 1.00 0.00 O ATOM 886 OD2 ASP A 55 3.404 17.374 17.043 1.00 0.00 O ATOM 0 H ASP A 55 2.988 20.454 15.060 1.00 0.00 H new ATOM 0 HA ASP A 55 2.058 20.956 17.786 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.513 19.569 16.660 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.258 19.850 18.371 1.00 0.00 H new ATOM 891 N GLY A 56 4.020 22.822 16.153 1.00 0.00 N ATOM 892 CA GLY A 56 4.891 23.968 16.147 1.00 0.00 C ATOM 893 C GLY A 56 6.254 23.628 16.684 1.00 0.00 C ATOM 894 O GLY A 56 6.756 24.279 17.602 1.00 0.00 O ATOM 0 H GLY A 56 3.658 22.563 15.235 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.984 24.350 15.130 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.451 24.764 16.747 1.00 0.00 H new ATOM 898 N ASP A 57 6.832 22.579 16.113 1.00 0.00 N ATOM 899 CA ASP A 57 8.189 22.174 16.413 1.00 0.00 C ATOM 900 C ASP A 57 9.098 23.376 16.269 1.00 0.00 C ATOM 901 O ASP A 57 9.004 24.097 15.269 1.00 0.00 O ATOM 902 CB ASP A 57 8.641 21.084 15.438 1.00 0.00 C ATOM 903 CG ASP A 57 9.782 20.248 15.976 1.00 0.00 C ATOM 904 OD1 ASP A 57 10.935 20.718 15.938 1.00 0.00 O ATOM 905 OD2 ASP A 57 9.531 19.109 16.436 1.00 0.00 O ATOM 0 H ASP A 57 6.366 21.986 15.426 1.00 0.00 H new ATOM 0 HA ASP A 57 8.234 21.783 17.429 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.796 20.434 15.211 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.947 21.547 14.500 1.00 0.00 H new ATOM 910 N VAL A 58 9.976 23.580 17.247 1.00 0.00 N ATOM 911 CA VAL A 58 10.853 24.751 17.281 1.00 0.00 C ATOM 912 C VAL A 58 11.941 24.639 16.211 1.00 0.00 C ATOM 913 O VAL A 58 12.879 25.434 16.159 1.00 0.00 O ATOM 914 CB VAL A 58 11.507 24.915 18.674 1.00 0.00 C ATOM 915 CG1 VAL A 58 12.081 26.313 18.849 1.00 0.00 C ATOM 916 CG2 VAL A 58 10.503 24.617 19.774 1.00 0.00 C ATOM 0 H VAL A 58 10.101 22.944 18.035 1.00 0.00 H new ATOM 0 HA VAL A 58 10.241 25.630 17.078 1.00 0.00 H new ATOM 0 HB VAL A 58 12.326 24.200 18.745 1.00 0.00 H new ATOM 0 HG11 VAL A 58 12.534 26.399 19.837 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.838 26.494 18.086 1.00 0.00 H new ATOM 0 HG13 VAL A 58 11.283 27.049 18.750 1.00 0.00 H new ATOM 0 HG21 VAL A 58 10.982 24.738 20.746 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.662 25.306 19.696 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.144 23.593 19.671 1.00 0.00 H new ATOM 926 N GLY A 59 11.797 23.655 15.347 1.00 0.00 N ATOM 927 CA GLY A 59 12.751 23.445 14.297 1.00 0.00 C ATOM 928 C GLY A 59 12.183 23.854 12.964 1.00 0.00 C ATOM 929 O GLY A 59 12.921 24.029 11.992 1.00 0.00 O ATOM 0 H GLY A 59 11.023 22.990 15.358 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.655 24.018 14.502 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.039 22.394 14.267 1.00 0.00 H new ATOM 933 N GLY A 60 10.863 24.008 12.912 1.00 0.00 N ATOM 934 CA GLY A 60 10.229 24.402 11.681 1.00 0.00 C ATOM 935 C GLY A 60 9.142 23.437 11.293 1.00 0.00 C ATOM 936 O GLY A 60 8.880 22.480 12.024 1.00 0.00 O ATOM 0 H GLY A 60 10.230 23.866 13.699 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.809 25.402 11.790 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.973 24.454 10.886 1.00 0.00 H new ATOM 940 N PRO A 61 8.498 23.646 10.143 1.00 0.00 N ATOM 941 CA PRO A 61 7.380 22.827 9.720 1.00 0.00 C ATOM 942 C PRO A 61 7.849 21.468 9.260 1.00 0.00 C ATOM 943 O PRO A 61 9.004 21.288 8.870 1.00 0.00 O ATOM 944 CB PRO A 61 6.780 23.610 8.562 1.00 0.00 C ATOM 945 CG PRO A 61 7.938 24.329 7.987 1.00 0.00 C ATOM 946 CD PRO A 61 8.840 24.664 9.143 1.00 0.00 C ATOM 0 HA PRO A 61 6.667 22.641 10.523 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.315 22.949 7.830 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.009 24.301 8.903 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.457 23.709 7.255 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.617 25.233 7.469 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.892 24.613 8.861 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.658 25.672 9.516 1.00 0.00 H new ATOM 954 N TRP A 62 6.947 20.529 9.279 1.00 0.00 N ATOM 955 CA TRP A 62 7.288 19.164 9.024 1.00 0.00 C ATOM 956 C TRP A 62 6.167 18.500 8.267 1.00 0.00 C ATOM 957 O TRP A 62 5.187 19.141 7.884 1.00 0.00 O ATOM 958 CB TRP A 62 7.549 18.437 10.345 1.00 0.00 C ATOM 959 CG TRP A 62 6.391 18.481 11.291 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.010 19.533 12.054 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.468 17.433 11.571 1.00 0.00 C ATOM 962 NE1 TRP A 62 4.899 19.204 12.796 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.552 17.920 12.517 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.329 16.134 11.113 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.511 17.152 13.012 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.296 15.368 11.606 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.400 15.879 12.545 1.00 0.00 C ATOM 0 H TRP A 62 5.958 20.690 9.471 1.00 0.00 H new ATOM 0 HA TRP A 62 8.195 19.121 8.421 1.00 0.00 H new ATOM 0 HB2 TRP A 62 7.797 17.396 10.135 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.420 18.880 10.828 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.507 20.492 12.077 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.416 19.822 13.448 1.00 0.00 H new ATOM 0 HE3 TRP A 62 6.016 15.730 10.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.816 17.547 13.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.177 14.352 11.259 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.601 15.250 12.909 1.00 0.00 H new ATOM 978 N CYS A 63 6.334 17.227 8.043 1.00 0.00 N ATOM 979 CA CYS A 63 5.347 16.430 7.362 1.00 0.00 C ATOM 980 C CYS A 63 5.708 14.973 7.532 1.00 0.00 C ATOM 981 O CYS A 63 6.711 14.653 8.162 1.00 0.00 O ATOM 982 CB CYS A 63 5.294 16.804 5.882 1.00 0.00 C ATOM 983 SG CYS A 63 6.828 16.451 4.964 1.00 0.00 S ATOM 0 H CYS A 63 7.164 16.707 8.329 1.00 0.00 H new ATOM 0 HA CYS A 63 4.360 16.614 7.787 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.471 16.265 5.412 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.069 17.867 5.796 1.00 0.00 H new ATOM 988 N TYR A 64 4.904 14.099 6.976 1.00 0.00 N ATOM 989 CA TYR A 64 5.234 12.692 6.947 1.00 0.00 C ATOM 990 C TYR A 64 5.798 12.407 5.589 1.00 0.00 C ATOM 991 O TYR A 64 5.403 13.044 4.627 1.00 0.00 O ATOM 992 CB TYR A 64 4.008 11.838 7.250 1.00 0.00 C ATOM 993 CG TYR A 64 3.680 11.832 8.722 1.00 0.00 C ATOM 994 CD1 TYR A 64 4.448 11.088 9.600 1.00 0.00 C ATOM 995 CD2 TYR A 64 2.621 12.567 9.234 1.00 0.00 C ATOM 996 CE1 TYR A 64 4.174 11.071 10.951 1.00 0.00 C ATOM 997 CE2 TYR A 64 2.340 12.558 10.588 1.00 0.00 C ATOM 998 CZ TYR A 64 3.121 11.807 11.441 1.00 0.00 C ATOM 999 OH TYR A 64 2.846 11.788 12.785 1.00 0.00 O ATOM 0 H TYR A 64 4.015 14.336 6.536 1.00 0.00 H new ATOM 0 HA TYR A 64 5.966 12.443 7.715 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.154 12.216 6.689 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.184 10.817 6.913 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.277 10.510 9.220 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.008 13.154 8.566 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.783 10.483 11.621 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.514 13.136 10.975 1.00 0.00 H new ATOM 0 HH TYR A 64 2.581 12.685 13.077 1.00 0.00 H new ATOM 1009 N THR A 65 6.736 11.500 5.489 1.00 0.00 N ATOM 1010 CA THR A 65 7.444 11.352 4.243 1.00 0.00 C ATOM 1011 C THR A 65 6.860 10.199 3.467 1.00 0.00 C ATOM 1012 O THR A 65 6.304 9.277 4.052 1.00 0.00 O ATOM 1013 CB THR A 65 8.949 11.102 4.467 1.00 0.00 C ATOM 1014 OG1 THR A 65 9.175 9.714 4.757 1.00 0.00 O ATOM 1015 CG2 THR A 65 9.484 11.965 5.605 1.00 0.00 C ATOM 0 H THR A 65 7.023 10.867 6.235 1.00 0.00 H new ATOM 0 HA THR A 65 7.334 12.282 3.684 1.00 0.00 H new ATOM 0 HB THR A 65 9.481 11.373 3.555 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.241 9.589 5.727 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.547 11.769 5.742 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.337 13.018 5.363 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.950 11.726 6.525 1.00 0.00 H new ATOM 1023 N THR A 66 6.932 10.263 2.155 1.00 0.00 N ATOM 1024 CA THR A 66 6.673 9.086 1.355 1.00 0.00 C ATOM 1025 C THR A 66 7.952 8.245 1.228 1.00 0.00 C ATOM 1026 O THR A 66 8.105 7.451 0.300 1.00 0.00 O ATOM 1027 CB THR A 66 6.143 9.470 -0.036 1.00 0.00 C ATOM 1028 OG1 THR A 66 7.031 10.410 -0.656 1.00 0.00 O ATOM 1029 CG2 THR A 66 4.750 10.074 0.066 1.00 0.00 C ATOM 0 H THR A 66 7.164 11.104 1.626 1.00 0.00 H new ATOM 0 HA THR A 66 5.907 8.493 1.854 1.00 0.00 H new ATOM 0 HB THR A 66 6.088 8.567 -0.643 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.996 11.261 -0.172 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.394 10.338 -0.930 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.071 9.348 0.513 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.786 10.968 0.688 1.00 0.00 H new ATOM 1037 N ASN A 67 8.860 8.428 2.189 1.00 0.00 N ATOM 1038 CA ASN A 67 10.153 7.758 2.196 1.00 0.00 C ATOM 1039 C ASN A 67 10.116 6.558 3.135 1.00 0.00 C ATOM 1040 O ASN A 67 9.921 6.717 4.339 1.00 0.00 O ATOM 1041 CB ASN A 67 11.227 8.748 2.660 1.00 0.00 C ATOM 1042 CG ASN A 67 12.639 8.234 2.549 1.00 0.00 C ATOM 1043 OD1 ASN A 67 12.894 7.030 2.555 1.00 0.00 O ATOM 1044 ND2 ASN A 67 13.571 9.160 2.472 1.00 0.00 N ATOM 0 H ASN A 67 8.714 9.048 2.985 1.00 0.00 H new ATOM 0 HA ASN A 67 10.386 7.407 1.190 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.139 9.662 2.073 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.032 9.016 3.698 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.553 8.891 2.414 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.311 10.146 2.470 1.00 0.00 H new ATOM 1051 N PRO A 68 10.316 5.341 2.606 1.00 0.00 N ATOM 1052 CA PRO A 68 10.249 4.106 3.399 1.00 0.00 C ATOM 1053 C PRO A 68 11.384 3.966 4.411 1.00 0.00 C ATOM 1054 O PRO A 68 11.504 2.944 5.082 1.00 0.00 O ATOM 1055 CB PRO A 68 10.322 2.986 2.349 1.00 0.00 C ATOM 1056 CG PRO A 68 10.106 3.656 1.031 1.00 0.00 C ATOM 1057 CD PRO A 68 10.604 5.062 1.193 1.00 0.00 C ATOM 0 HA PRO A 68 9.344 4.084 4.005 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.288 2.483 2.379 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.562 2.227 2.532 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.647 3.140 0.238 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.051 3.645 0.756 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.668 5.143 0.972 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.087 5.755 0.529 1.00 0.00 H new ATOM 1065 N ARG A 69 12.208 4.990 4.522 1.00 0.00 N ATOM 1066 CA ARG A 69 13.270 5.000 5.507 1.00 0.00 C ATOM 1067 C ARG A 69 12.785 5.572 6.836 1.00 0.00 C ATOM 1068 O ARG A 69 13.153 5.083 7.903 1.00 0.00 O ATOM 1069 CB ARG A 69 14.445 5.822 5.000 1.00 0.00 C ATOM 1070 CG ARG A 69 15.143 5.230 3.786 1.00 0.00 C ATOM 1071 CD ARG A 69 15.548 3.784 4.017 1.00 0.00 C ATOM 1072 NE ARG A 69 16.353 3.614 5.226 1.00 0.00 N ATOM 1073 CZ ARG A 69 17.298 2.682 5.362 1.00 0.00 C ATOM 1074 NH1 ARG A 69 17.651 1.926 4.329 1.00 0.00 N ATOM 1075 NH2 ARG A 69 17.913 2.530 6.527 1.00 0.00 N ATOM 0 H ARG A 69 12.162 5.827 3.941 1.00 0.00 H new ATOM 0 HA ARG A 69 13.586 3.969 5.669 1.00 0.00 H new ATOM 0 HB2 ARG A 69 14.093 6.823 4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.172 5.931 5.805 1.00 0.00 H new ATOM 0 HG2 ARG A 69 14.481 5.288 2.922 1.00 0.00 H new ATOM 0 HG3 ARG A 69 16.027 5.822 3.551 1.00 0.00 H new ATOM 0 HD2 ARG A 69 14.653 3.167 4.091 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.112 3.426 3.156 1.00 0.00 H new ATOM 0 HE ARG A 69 16.182 4.244 6.010 1.00 0.00 H new ATOM 0 HH11 ARG A 69 17.199 2.056 3.424 1.00 0.00 H new ATOM 0 HH12 ARG A 69 18.374 1.216 4.441 1.00 0.00 H new ATOM 0 HH21 ARG A 69 17.663 3.125 7.317 1.00 0.00 H new ATOM 0 HH22 ARG A 69 18.636 1.818 6.633 1.00 0.00 H new ATOM 1089 N LYS A 70 11.952 6.607 6.772 1.00 0.00 N ATOM 1090 CA LYS A 70 11.529 7.306 7.976 1.00 0.00 C ATOM 1091 C LYS A 70 10.065 7.728 7.889 1.00 0.00 C ATOM 1092 O LYS A 70 9.500 7.845 6.802 1.00 0.00 O ATOM 1093 CB LYS A 70 12.415 8.531 8.198 1.00 0.00 C ATOM 1094 CG LYS A 70 12.043 9.723 7.328 1.00 0.00 C ATOM 1095 CD LYS A 70 13.239 10.269 6.572 1.00 0.00 C ATOM 1096 CE LYS A 70 14.406 10.584 7.501 1.00 0.00 C ATOM 1097 NZ LYS A 70 14.043 11.549 8.574 1.00 0.00 N ATOM 0 H LYS A 70 11.561 6.976 5.905 1.00 0.00 H new ATOM 0 HA LYS A 70 11.630 6.624 8.820 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.356 8.825 9.246 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.452 8.259 8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.270 9.427 6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.619 10.509 7.952 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.557 9.543 5.824 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.948 11.173 6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.763 9.660 7.955 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.231 10.991 6.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.881 11.753 9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.696 12.431 8.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.298 11.138 9.173 1.00 0.00 H new ATOM 1111 N LEU A 71 9.474 7.986 9.043 1.00 0.00 N ATOM 1112 CA LEU A 71 8.055 8.297 9.141 1.00 0.00 C ATOM 1113 C LEU A 71 7.794 9.757 8.809 1.00 0.00 C ATOM 1114 O LEU A 71 6.938 10.063 7.979 1.00 0.00 O ATOM 1115 CB LEU A 71 7.552 7.966 10.554 1.00 0.00 C ATOM 1116 CG LEU A 71 6.062 8.206 10.810 1.00 0.00 C ATOM 1117 CD1 LEU A 71 5.212 7.240 10.002 1.00 0.00 C ATOM 1118 CD2 LEU A 71 5.754 8.078 12.295 1.00 0.00 C ATOM 0 H LEU A 71 9.962 7.986 9.939 1.00 0.00 H new ATOM 0 HA LEU A 71 7.512 7.690 8.417 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.771 6.918 10.760 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.123 8.558 11.269 1.00 0.00 H new ATOM 0 HG LEU A 71 5.818 9.219 10.490 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.157 7.430 10.201 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.412 7.380 8.940 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.456 6.216 10.285 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.691 8.251 12.462 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.017 7.077 12.636 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.334 8.814 12.852 1.00 0.00 H new ATOM 1130 N TYR A 72 8.545 10.655 9.424 1.00 0.00 N ATOM 1131 CA TYR A 72 8.346 12.074 9.190 1.00 0.00 C ATOM 1132 C TYR A 72 9.675 12.811 9.196 1.00 0.00 C ATOM 1133 O TYR A 72 10.690 12.283 9.651 1.00 0.00 O ATOM 1134 CB TYR A 72 7.391 12.670 10.236 1.00 0.00 C ATOM 1135 CG TYR A 72 8.001 12.965 11.591 1.00 0.00 C ATOM 1136 CD1 TYR A 72 8.022 12.006 12.596 1.00 0.00 C ATOM 1137 CD2 TYR A 72 8.528 14.222 11.872 1.00 0.00 C ATOM 1138 CE1 TYR A 72 8.557 12.289 13.839 1.00 0.00 C ATOM 1139 CE2 TYR A 72 9.058 14.514 13.112 1.00 0.00 C ATOM 1140 CZ TYR A 72 9.071 13.544 14.092 1.00 0.00 C ATOM 1141 OH TYR A 72 9.594 13.833 15.335 1.00 0.00 O ATOM 0 H TYR A 72 9.291 10.430 10.082 1.00 0.00 H new ATOM 0 HA TYR A 72 7.892 12.196 8.206 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.975 13.595 9.836 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.558 11.980 10.375 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.614 11.025 12.403 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.522 14.983 11.105 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.572 11.531 14.608 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.460 15.496 13.314 1.00 0.00 H new ATOM 0 HH TYR A 72 9.915 14.759 15.348 1.00 0.00 H new ATOM 1151 N ASP A 73 9.653 14.020 8.669 1.00 0.00 N ATOM 1152 CA ASP A 73 10.843 14.859 8.597 1.00 0.00 C ATOM 1153 C ASP A 73 10.420 16.321 8.553 1.00 0.00 C ATOM 1154 O ASP A 73 9.235 16.622 8.649 1.00 0.00 O ATOM 1155 CB ASP A 73 11.669 14.507 7.349 1.00 0.00 C ATOM 1156 CG ASP A 73 13.132 14.886 7.482 1.00 0.00 C ATOM 1157 OD1 ASP A 73 13.474 16.054 7.240 1.00 0.00 O ATOM 1158 OD2 ASP A 73 13.944 14.005 7.833 1.00 0.00 O ATOM 0 H ASP A 73 8.815 14.451 8.279 1.00 0.00 H new ATOM 0 HA ASP A 73 11.462 14.686 9.477 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.592 13.436 7.159 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.245 15.016 6.483 1.00 0.00 H new ATOM 1163 N TYR A 74 11.377 17.218 8.398 1.00 0.00 N ATOM 1164 CA TYR A 74 11.093 18.643 8.312 1.00 0.00 C ATOM 1165 C TYR A 74 10.959 19.056 6.862 1.00 0.00 C ATOM 1166 O TYR A 74 11.460 18.375 5.976 1.00 0.00 O ATOM 1167 CB TYR A 74 12.218 19.456 8.942 1.00 0.00 C ATOM 1168 CG TYR A 74 12.293 19.357 10.444 1.00 0.00 C ATOM 1169 CD1 TYR A 74 11.577 20.232 11.250 1.00 0.00 C ATOM 1170 CD2 TYR A 74 13.095 18.405 11.054 1.00 0.00 C ATOM 1171 CE1 TYR A 74 11.662 20.161 12.625 1.00 0.00 C ATOM 1172 CE2 TYR A 74 13.180 18.323 12.426 1.00 0.00 C ATOM 1173 CZ TYR A 74 12.465 19.205 13.210 1.00 0.00 C ATOM 1174 OH TYR A 74 12.557 19.132 14.582 1.00 0.00 O ATOM 0 H TYR A 74 12.367 16.984 8.328 1.00 0.00 H new ATOM 0 HA TYR A 74 10.163 18.833 8.847 1.00 0.00 H new ATOM 0 HB2 TYR A 74 13.168 19.127 8.521 1.00 0.00 H new ATOM 0 HB3 TYR A 74 12.092 20.503 8.665 1.00 0.00 H new ATOM 0 HD1 TYR A 74 10.944 20.979 10.794 1.00 0.00 H new ATOM 0 HD2 TYR A 74 13.662 17.717 10.444 1.00 0.00 H new ATOM 0 HE1 TYR A 74 11.103 20.850 13.240 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.804 17.571 12.887 1.00 0.00 H new ATOM 0 HH TYR A 74 12.067 19.880 14.983 1.00 0.00 H new ATOM 1184 N CYS A 75 10.294 20.173 6.625 1.00 0.00 N ATOM 1185 CA CYS A 75 10.131 20.686 5.276 1.00 0.00 C ATOM 1186 C CYS A 75 11.014 21.893 5.031 1.00 0.00 C ATOM 1187 O CYS A 75 11.587 22.463 5.957 1.00 0.00 O ATOM 1188 CB CYS A 75 8.685 21.069 5.016 1.00 0.00 C ATOM 1189 SG CYS A 75 7.550 19.666 4.964 1.00 0.00 S ATOM 0 H CYS A 75 9.858 20.743 7.350 1.00 0.00 H new ATOM 0 HA CYS A 75 10.426 19.889 4.593 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.358 21.759 5.794 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.627 21.605 4.069 1.00 0.00 H new ATOM 1194 N ASP A 76 11.083 22.293 3.775 1.00 0.00 N ATOM 1195 CA ASP A 76 11.898 23.424 3.378 1.00 0.00 C ATOM 1196 C ASP A 76 11.014 24.547 2.852 1.00 0.00 C ATOM 1197 O ASP A 76 10.933 24.783 1.647 1.00 0.00 O ATOM 1198 CB ASP A 76 12.919 23.007 2.314 1.00 0.00 C ATOM 1199 CG ASP A 76 13.910 24.109 1.995 1.00 0.00 C ATOM 1200 OD1 ASP A 76 14.728 24.448 2.873 1.00 0.00 O ATOM 1201 OD2 ASP A 76 13.892 24.627 0.856 1.00 0.00 O ATOM 0 H ASP A 76 10.580 21.847 3.008 1.00 0.00 H new ATOM 0 HA ASP A 76 12.442 23.783 4.252 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.460 22.126 2.660 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.393 22.721 1.403 1.00 0.00 H new ATOM 1206 N VAL A 77 10.302 25.199 3.757 1.00 0.00 N ATOM 1207 CA VAL A 77 9.517 26.363 3.397 1.00 0.00 C ATOM 1208 C VAL A 77 10.080 27.616 4.054 1.00 0.00 C ATOM 1209 O VAL A 77 10.332 27.650 5.258 1.00 0.00 O ATOM 1210 CB VAL A 77 8.028 26.192 3.757 1.00 0.00 C ATOM 1211 CG1 VAL A 77 7.843 25.783 5.198 1.00 0.00 C ATOM 1212 CG2 VAL A 77 7.250 27.457 3.458 1.00 0.00 C ATOM 0 H VAL A 77 10.253 24.941 4.743 1.00 0.00 H new ATOM 0 HA VAL A 77 9.582 26.471 2.314 1.00 0.00 H new ATOM 0 HB VAL A 77 7.635 25.389 3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.780 25.673 5.411 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.349 24.834 5.375 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.267 26.547 5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.202 27.310 3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.659 28.282 4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.329 27.690 2.396 1.00 0.00 H new ATOM 1222 N PRO A 78 10.310 28.647 3.236 1.00 0.00 N ATOM 1223 CA PRO A 78 10.860 29.931 3.674 1.00 0.00 C ATOM 1224 C PRO A 78 10.035 30.619 4.740 1.00 0.00 C ATOM 1225 O PRO A 78 8.829 30.394 4.884 1.00 0.00 O ATOM 1226 CB PRO A 78 10.870 30.775 2.391 1.00 0.00 C ATOM 1227 CG PRO A 78 9.954 30.072 1.445 1.00 0.00 C ATOM 1228 CD PRO A 78 10.068 28.623 1.788 1.00 0.00 C ATOM 0 HA PRO A 78 11.839 29.795 4.134 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.528 31.791 2.587 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.876 30.852 1.979 1.00 0.00 H new ATOM 0 HG2 PRO A 78 8.928 30.423 1.557 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.242 30.255 0.410 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.158 28.076 1.539 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.885 28.143 1.250 1.00 0.00 H new ATOM 1236 N GLN A 79 10.718 31.458 5.488 1.00 0.00 N ATOM 1237 CA GLN A 79 10.115 32.209 6.555 1.00 0.00 C ATOM 1238 C GLN A 79 9.304 33.368 5.993 1.00 0.00 C ATOM 1239 O GLN A 79 9.847 34.312 5.419 1.00 0.00 O ATOM 1240 CB GLN A 79 11.191 32.712 7.513 1.00 0.00 C ATOM 1241 CG GLN A 79 10.622 33.498 8.664 1.00 0.00 C ATOM 1242 CD GLN A 79 9.643 32.681 9.467 1.00 0.00 C ATOM 1243 OE1 GLN A 79 8.652 33.215 9.941 1.00 0.00 O ATOM 1244 NE2 GLN A 79 9.910 31.379 9.606 1.00 0.00 N ATOM 0 H GLN A 79 11.715 31.636 5.368 1.00 0.00 H new ATOM 0 HA GLN A 79 9.438 31.558 7.108 1.00 0.00 H new ATOM 0 HB2 GLN A 79 11.752 31.862 7.901 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.896 33.337 6.965 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.432 33.834 9.311 1.00 0.00 H new ATOM 0 HG3 GLN A 79 10.126 34.391 8.285 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.753 30.984 9.189 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.271 30.780 10.129 1.00 0.00 H new ATOM 1253 N CYS A 80 7.998 33.263 6.139 1.00 0.00 N ATOM 1254 CA CYS A 80 7.086 34.283 5.677 1.00 0.00 C ATOM 1255 C CYS A 80 7.105 35.469 6.627 1.00 0.00 C ATOM 1256 O CYS A 80 7.061 36.624 6.201 1.00 0.00 O ATOM 1257 CB CYS A 80 5.668 33.729 5.573 1.00 0.00 C ATOM 1258 SG CYS A 80 4.741 34.362 4.142 1.00 0.00 S ATOM 0 H CYS A 80 7.542 32.466 6.582 1.00 0.00 H new ATOM 0 HA CYS A 80 7.408 34.609 4.688 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.715 32.642 5.512 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.124 33.974 6.485 1.00 0.00 H new ATOM 1263 N ALA A 81 7.180 35.168 7.923 1.00 0.00 N ATOM 1264 CA ALA A 81 7.194 36.203 8.953 1.00 0.00 C ATOM 1265 C ALA A 81 8.616 36.678 9.215 1.00 0.00 C ATOM 1266 O ALA A 81 9.144 36.531 10.319 1.00 0.00 O ATOM 1267 CB ALA A 81 6.561 35.692 10.239 1.00 0.00 C ATOM 0 H ALA A 81 7.232 34.215 8.283 1.00 0.00 H new ATOM 0 HA ALA A 81 6.607 37.048 8.593 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.582 36.479 10.993 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.528 35.402 10.046 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.119 34.828 10.601 1.00 0.00 H new