USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 584 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 167:sc= -0.255 (180deg=-0.591) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -150:sc= 0.283 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0673 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0.853 (180deg=0.82) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 26 ASN : amide:sc= -1.29 K(o=-1.3,f=-5.6!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -3.28! C(o=-3.3!,f=-3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -2.59! C(o=-2.6!,f=-16!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -177:sc= 1.22 (180deg=1.13) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 179:sc= 0.249 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.339 K(o=0.34,f=-4.7!) USER MOD Single : A 54 ASN : amide:sc= -0.389 K(o=-0.39,f=-1.6!) USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= -0.07 (180deg=-0.332) USER MOD Single : A 58 SER OG : rot 143:sc= -2.77! USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= 1.26 (180deg=1.24) USER MOD Single : A 69 HIS : no HD1:sc= -0.439 K(o=-0.44,f=0.061) USER MOD Single : A 70 HIS : no HD1:sc= -0.393 X(o=-0.39,f=-0.4) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.018) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.037 -4.476 -2.820 1.00 0.00 N ATOM 2 CA MET A 1 -13.954 -4.021 -3.722 1.00 0.00 C ATOM 3 C MET A 1 -12.857 -3.335 -2.927 1.00 0.00 C ATOM 4 O MET A 1 -11.688 -3.704 -3.028 1.00 0.00 O ATOM 5 CB MET A 1 -14.493 -3.072 -4.798 1.00 0.00 C ATOM 6 CG MET A 1 -15.306 -3.768 -5.872 1.00 0.00 C ATOM 7 SD MET A 1 -15.892 -2.633 -7.144 1.00 0.00 S ATOM 8 CE MET A 1 -16.629 -3.791 -8.292 1.00 0.00 C ATOM 0 H1 MET A 1 -15.780 -4.943 -3.378 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.651 -5.147 -2.126 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.441 -3.657 -2.322 1.00 0.00 H new ATOM 0 HA MET A 1 -13.539 -4.899 -4.217 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.112 -2.311 -4.322 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.656 -2.555 -5.266 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.698 -4.545 -6.336 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.160 -4.264 -5.411 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.041 -3.248 -9.142 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.869 -4.490 -8.642 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.426 -4.342 -7.792 1.00 0.00 H new ATOM 20 N ALA A 2 -13.232 -2.340 -2.133 1.00 0.00 N ATOM 21 CA ALA A 2 -12.281 -1.662 -1.272 1.00 0.00 C ATOM 22 C ALA A 2 -11.767 -2.624 -0.212 1.00 0.00 C ATOM 23 O ALA A 2 -12.530 -3.097 0.637 1.00 0.00 O ATOM 24 CB ALA A 2 -12.927 -0.446 -0.627 1.00 0.00 C ATOM 0 H ALA A 2 -14.187 -1.988 -2.070 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.437 -1.321 -1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.202 0.053 0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.259 0.244 -1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.783 -0.762 -0.031 1.00 0.00 H new ATOM 30 N MET A 3 -10.488 -2.932 -0.277 1.00 0.00 N ATOM 31 CA MET A 3 -9.891 -3.881 0.642 1.00 0.00 C ATOM 32 C MET A 3 -8.889 -3.184 1.543 1.00 0.00 C ATOM 33 O MET A 3 -8.258 -2.203 1.148 1.00 0.00 O ATOM 34 CB MET A 3 -9.212 -5.015 -0.123 1.00 0.00 C ATOM 35 CG MET A 3 -10.158 -5.790 -1.029 1.00 0.00 C ATOM 36 SD MET A 3 -9.330 -7.098 -1.956 1.00 0.00 S ATOM 37 CE MET A 3 -8.747 -8.141 -0.623 1.00 0.00 C ATOM 0 H MET A 3 -9.840 -2.538 -0.959 1.00 0.00 H new ATOM 0 HA MET A 3 -10.683 -4.305 1.260 1.00 0.00 H new ATOM 0 HB2 MET A 3 -8.402 -4.602 -0.725 1.00 0.00 H new ATOM 0 HB3 MET A 3 -8.760 -5.704 0.591 1.00 0.00 H new ATOM 0 HG2 MET A 3 -10.954 -6.227 -0.426 1.00 0.00 H new ATOM 0 HG3 MET A 3 -10.630 -5.100 -1.728 1.00 0.00 H new ATOM 0 HE1 MET A 3 -8.421 -9.099 -1.027 1.00 0.00 H new ATOM 0 HE2 MET A 3 -7.910 -7.656 -0.120 1.00 0.00 H new ATOM 0 HE3 MET A 3 -9.554 -8.304 0.091 1.00 0.00 H new ATOM 47 N ASN A 4 -8.751 -3.691 2.750 1.00 0.00 N ATOM 48 CA ASN A 4 -7.847 -3.105 3.727 1.00 0.00 C ATOM 49 C ASN A 4 -6.559 -3.899 3.818 1.00 0.00 C ATOM 50 O ASN A 4 -6.535 -5.103 3.555 1.00 0.00 O ATOM 51 CB ASN A 4 -8.500 -3.031 5.108 1.00 0.00 C ATOM 52 CG ASN A 4 -9.431 -1.844 5.253 1.00 0.00 C ATOM 53 OD1 ASN A 4 -10.622 -1.927 4.953 1.00 0.00 O ATOM 54 ND2 ASN A 4 -8.897 -0.734 5.734 1.00 0.00 N ATOM 0 H ASN A 4 -9.255 -4.513 3.083 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.618 -2.093 3.392 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -9.058 -3.949 5.291 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.723 -2.973 5.870 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.477 0.094 5.869 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.905 -0.706 5.971 1.00 0.00 H new ATOM 61 N GLY A 5 -5.494 -3.212 4.187 1.00 0.00 N ATOM 62 CA GLY A 5 -4.211 -3.852 4.370 1.00 0.00 C ATOM 63 C GLY A 5 -3.374 -3.118 5.393 1.00 0.00 C ATOM 64 O GLY A 5 -3.795 -2.084 5.917 1.00 0.00 O ATOM 0 H GLY A 5 -5.495 -2.208 4.366 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.359 -4.884 4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.680 -3.886 3.419 1.00 0.00 H new ATOM 68 N THR A 6 -2.198 -3.645 5.691 1.00 0.00 N ATOM 69 CA THR A 6 -1.297 -2.999 6.625 1.00 0.00 C ATOM 70 C THR A 6 0.073 -2.822 5.986 1.00 0.00 C ATOM 71 O THR A 6 0.621 -3.757 5.399 1.00 0.00 O ATOM 72 CB THR A 6 -1.157 -3.815 7.917 1.00 0.00 C ATOM 73 OG1 THR A 6 -2.436 -4.343 8.300 1.00 0.00 O ATOM 74 CG2 THR A 6 -0.609 -2.953 9.043 1.00 0.00 C ATOM 0 H THR A 6 -1.847 -4.519 5.299 1.00 0.00 H new ATOM 0 HA THR A 6 -1.716 -2.024 6.876 1.00 0.00 H new ATOM 0 HB THR A 6 -0.461 -4.633 7.732 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.341 -4.865 9.124 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.518 -3.552 9.949 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.372 -2.568 8.763 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.287 -2.119 9.226 1.00 0.00 H new ATOM 82 N ILE A 7 0.616 -1.623 6.102 1.00 0.00 N ATOM 83 CA ILE A 7 1.881 -1.290 5.466 1.00 0.00 C ATOM 84 C ILE A 7 3.012 -2.115 6.064 1.00 0.00 C ATOM 85 O ILE A 7 3.441 -1.879 7.195 1.00 0.00 O ATOM 86 CB ILE A 7 2.203 0.214 5.589 1.00 0.00 C ATOM 87 CG1 ILE A 7 1.075 1.037 4.960 1.00 0.00 C ATOM 88 CG2 ILE A 7 3.535 0.534 4.923 1.00 0.00 C ATOM 89 CD1 ILE A 7 1.276 2.533 5.046 1.00 0.00 C ATOM 0 H ILE A 7 0.199 -0.859 6.634 1.00 0.00 H new ATOM 0 HA ILE A 7 1.786 -1.527 4.406 1.00 0.00 H new ATOM 0 HB ILE A 7 2.284 0.473 6.645 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.976 0.755 3.912 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.136 0.779 5.450 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.744 1.599 5.021 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.329 -0.037 5.404 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.487 0.269 3.867 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.433 3.041 4.578 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.344 2.831 6.092 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.196 2.807 4.530 1.00 0.00 H new ATOM 101 N THR A 8 3.481 -3.087 5.301 1.00 0.00 N ATOM 102 CA THR A 8 4.457 -4.038 5.793 1.00 0.00 C ATOM 103 C THR A 8 5.874 -3.601 5.428 1.00 0.00 C ATOM 104 O THR A 8 6.814 -3.770 6.200 1.00 0.00 O ATOM 105 CB THR A 8 4.168 -5.433 5.213 1.00 0.00 C ATOM 106 OG1 THR A 8 2.761 -5.704 5.313 1.00 0.00 O ATOM 107 CG2 THR A 8 4.951 -6.509 5.951 1.00 0.00 C ATOM 0 H THR A 8 3.198 -3.237 4.333 1.00 0.00 H new ATOM 0 HA THR A 8 4.382 -4.079 6.880 1.00 0.00 H new ATOM 0 HB THR A 8 4.479 -5.445 4.168 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.620 -6.669 5.412 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.726 -7.484 5.519 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.019 -6.309 5.860 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.670 -6.506 7.004 1.00 0.00 H new ATOM 115 N THR A 9 6.022 -3.037 4.244 1.00 0.00 N ATOM 116 CA THR A 9 7.309 -2.542 3.791 1.00 0.00 C ATOM 117 C THR A 9 7.107 -1.379 2.829 1.00 0.00 C ATOM 118 O THR A 9 6.386 -1.505 1.847 1.00 0.00 O ATOM 119 CB THR A 9 8.115 -3.662 3.101 1.00 0.00 C ATOM 120 OG1 THR A 9 8.259 -4.776 3.996 1.00 0.00 O ATOM 121 CG2 THR A 9 9.492 -3.175 2.670 1.00 0.00 C ATOM 0 H THR A 9 5.263 -2.910 3.575 1.00 0.00 H new ATOM 0 HA THR A 9 7.872 -2.199 4.659 1.00 0.00 H new ATOM 0 HB THR A 9 7.569 -3.968 2.209 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.770 -5.486 3.555 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.032 -3.990 2.188 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.382 -2.348 1.969 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.049 -2.838 3.544 1.00 0.00 H new ATOM 129 N TRP A 10 7.721 -0.247 3.121 1.00 0.00 N ATOM 130 CA TRP A 10 7.574 0.925 2.275 1.00 0.00 C ATOM 131 C TRP A 10 8.877 1.698 2.189 1.00 0.00 C ATOM 132 O TRP A 10 9.519 1.968 3.205 1.00 0.00 O ATOM 133 CB TRP A 10 6.464 1.836 2.808 1.00 0.00 C ATOM 134 CG TRP A 10 6.301 3.100 2.012 1.00 0.00 C ATOM 135 CD1 TRP A 10 6.744 4.345 2.351 1.00 0.00 C ATOM 136 CD2 TRP A 10 5.666 3.234 0.734 1.00 0.00 C ATOM 137 NE1 TRP A 10 6.417 5.247 1.367 1.00 0.00 N ATOM 138 CE2 TRP A 10 5.756 4.589 0.363 1.00 0.00 C ATOM 139 CE3 TRP A 10 5.030 2.341 -0.127 1.00 0.00 C ATOM 140 CZ2 TRP A 10 5.234 5.069 -0.835 1.00 0.00 C ATOM 141 CZ3 TRP A 10 4.513 2.818 -1.315 1.00 0.00 C ATOM 142 CH2 TRP A 10 4.617 4.172 -1.660 1.00 0.00 C ATOM 0 H TRP A 10 8.323 -0.113 3.933 1.00 0.00 H new ATOM 0 HA TRP A 10 7.305 0.585 1.275 1.00 0.00 H new ATOM 0 HB2 TRP A 10 5.521 1.289 2.805 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.681 2.093 3.845 1.00 0.00 H new ATOM 0 HD1 TRP A 10 7.274 4.587 3.260 1.00 0.00 H new ATOM 0 HE1 TRP A 10 6.631 6.244 1.382 1.00 0.00 H new ATOM 0 HE3 TRP A 10 4.943 1.296 0.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 5.314 6.112 -1.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 4.019 2.135 -1.991 1.00 0.00 H new ATOM 0 HH2 TRP A 10 4.201 4.513 -2.597 1.00 0.00 H new ATOM 153 N PHE A 11 9.263 2.039 0.970 1.00 0.00 N ATOM 154 CA PHE A 11 10.435 2.861 0.737 1.00 0.00 C ATOM 155 C PHE A 11 10.077 4.016 -0.185 1.00 0.00 C ATOM 156 O PHE A 11 10.055 3.860 -1.406 1.00 0.00 O ATOM 157 CB PHE A 11 11.574 2.039 0.130 1.00 0.00 C ATOM 158 CG PHE A 11 12.082 0.953 1.034 1.00 0.00 C ATOM 159 CD1 PHE A 11 12.849 1.262 2.145 1.00 0.00 C ATOM 160 CD2 PHE A 11 11.795 -0.374 0.769 1.00 0.00 C ATOM 161 CE1 PHE A 11 13.319 0.265 2.979 1.00 0.00 C ATOM 162 CE2 PHE A 11 12.262 -1.376 1.598 1.00 0.00 C ATOM 163 CZ PHE A 11 13.026 -1.057 2.704 1.00 0.00 C ATOM 0 H PHE A 11 8.775 1.755 0.121 1.00 0.00 H new ATOM 0 HA PHE A 11 10.775 3.253 1.695 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.231 1.592 -0.803 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.399 2.706 -0.121 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.083 2.294 2.362 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.200 -0.630 -0.095 1.00 0.00 H new ATOM 0 HE1 PHE A 11 13.914 0.519 3.844 1.00 0.00 H new ATOM 0 HE2 PHE A 11 12.030 -2.408 1.381 1.00 0.00 H new ATOM 0 HZ PHE A 11 13.393 -1.839 3.352 1.00 0.00 H new ATOM 173 N LYS A 12 9.782 5.166 0.409 1.00 0.00 N ATOM 174 CA LYS A 12 9.389 6.351 -0.346 1.00 0.00 C ATOM 175 C LYS A 12 10.487 6.755 -1.325 1.00 0.00 C ATOM 176 O LYS A 12 10.214 7.099 -2.474 1.00 0.00 O ATOM 177 CB LYS A 12 9.096 7.514 0.609 1.00 0.00 C ATOM 178 CG LYS A 12 8.631 8.785 -0.084 1.00 0.00 C ATOM 179 CD LYS A 12 8.607 9.963 0.876 1.00 0.00 C ATOM 180 CE LYS A 12 8.158 11.239 0.184 1.00 0.00 C ATOM 181 NZ LYS A 12 8.383 12.442 1.027 1.00 0.00 N ATOM 0 H LYS A 12 9.808 5.304 1.419 1.00 0.00 H new ATOM 0 HA LYS A 12 8.487 6.112 -0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.333 7.201 1.321 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.996 7.734 1.183 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.294 9.009 -0.920 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.635 8.631 -0.499 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.936 9.743 1.706 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.601 10.108 1.300 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.698 11.350 -0.756 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.099 11.163 -0.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.062 13.289 0.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.848 12.350 1.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.397 12.530 1.242 1.00 0.00 H new ATOM 195 N ASP A 13 11.729 6.689 -0.865 1.00 0.00 N ATOM 196 CA ASP A 13 12.870 7.100 -1.666 1.00 0.00 C ATOM 197 C ASP A 13 13.107 6.134 -2.819 1.00 0.00 C ATOM 198 O ASP A 13 13.623 6.519 -3.869 1.00 0.00 O ATOM 199 CB ASP A 13 14.120 7.185 -0.790 1.00 0.00 C ATOM 200 CG ASP A 13 13.995 8.225 0.303 1.00 0.00 C ATOM 201 OD1 ASP A 13 14.087 9.433 -0.007 1.00 0.00 O ATOM 202 OD2 ASP A 13 13.805 7.840 1.478 1.00 0.00 O ATOM 0 H ASP A 13 11.971 6.352 0.067 1.00 0.00 H new ATOM 0 HA ASP A 13 12.655 8.083 -2.085 1.00 0.00 H new ATOM 0 HB2 ASP A 13 14.310 6.211 -0.340 1.00 0.00 H new ATOM 0 HB3 ASP A 13 14.982 7.421 -1.415 1.00 0.00 H new ATOM 207 N LYS A 14 12.717 4.882 -2.628 1.00 0.00 N ATOM 208 CA LYS A 14 12.913 3.861 -3.649 1.00 0.00 C ATOM 209 C LYS A 14 11.727 3.840 -4.618 1.00 0.00 C ATOM 210 O LYS A 14 11.899 3.669 -5.826 1.00 0.00 O ATOM 211 CB LYS A 14 13.103 2.485 -2.995 1.00 0.00 C ATOM 212 CG LYS A 14 13.481 1.388 -3.975 1.00 0.00 C ATOM 213 CD LYS A 14 13.704 0.050 -3.283 1.00 0.00 C ATOM 214 CE LYS A 14 14.929 0.074 -2.378 1.00 0.00 C ATOM 215 NZ LYS A 14 15.301 -1.290 -1.914 1.00 0.00 N ATOM 0 H LYS A 14 12.264 4.548 -1.777 1.00 0.00 H new ATOM 0 HA LYS A 14 13.813 4.101 -4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.877 2.560 -2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.180 2.204 -2.487 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.693 1.282 -4.721 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.388 1.675 -4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.823 -0.205 -2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.823 -0.731 -4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.768 0.517 -2.914 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.731 0.710 -1.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.139 -1.232 -1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.510 -1.703 -1.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.515 -1.890 -2.736 1.00 0.00 H new ATOM 229 N GLY A 15 10.527 4.028 -4.080 1.00 0.00 N ATOM 230 CA GLY A 15 9.334 4.074 -4.905 1.00 0.00 C ATOM 231 C GLY A 15 8.491 2.823 -4.776 1.00 0.00 C ATOM 232 O GLY A 15 7.337 2.792 -5.212 1.00 0.00 O ATOM 0 H GLY A 15 10.359 4.150 -3.081 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.736 4.941 -4.625 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.622 4.208 -5.948 1.00 0.00 H new ATOM 236 N PHE A 16 9.061 1.791 -4.170 1.00 0.00 N ATOM 237 CA PHE A 16 8.381 0.506 -4.041 1.00 0.00 C ATOM 238 C PHE A 16 7.700 0.373 -2.687 1.00 0.00 C ATOM 239 O PHE A 16 8.005 1.115 -1.748 1.00 0.00 O ATOM 240 CB PHE A 16 9.368 -0.651 -4.218 1.00 0.00 C ATOM 241 CG PHE A 16 9.988 -0.730 -5.583 1.00 0.00 C ATOM 242 CD1 PHE A 16 11.010 0.130 -5.951 1.00 0.00 C ATOM 243 CD2 PHE A 16 9.547 -1.669 -6.498 1.00 0.00 C ATOM 244 CE1 PHE A 16 11.581 0.055 -7.207 1.00 0.00 C ATOM 245 CE2 PHE A 16 10.112 -1.750 -7.753 1.00 0.00 C ATOM 246 CZ PHE A 16 11.131 -0.887 -8.109 1.00 0.00 C ATOM 0 H PHE A 16 9.994 1.817 -3.759 1.00 0.00 H new ATOM 0 HA PHE A 16 7.624 0.463 -4.824 1.00 0.00 H new ATOM 0 HB2 PHE A 16 10.161 -0.553 -3.477 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.852 -1.589 -4.011 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.365 0.868 -5.247 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.751 -2.346 -6.226 1.00 0.00 H new ATOM 0 HE1 PHE A 16 12.377 0.731 -7.482 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.758 -2.488 -8.458 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.574 -0.950 -9.092 1.00 0.00 H new ATOM 256 N GLY A 17 6.787 -0.583 -2.596 1.00 0.00 N ATOM 257 CA GLY A 17 6.099 -0.846 -1.351 1.00 0.00 C ATOM 258 C GLY A 17 5.412 -2.197 -1.353 1.00 0.00 C ATOM 259 O GLY A 17 5.103 -2.738 -2.415 1.00 0.00 O ATOM 0 H GLY A 17 6.509 -1.186 -3.371 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.812 -0.804 -0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.360 -0.064 -1.174 1.00 0.00 H new ATOM 263 N PHE A 18 5.195 -2.743 -0.166 1.00 0.00 N ATOM 264 CA PHE A 18 4.551 -4.037 0.000 1.00 0.00 C ATOM 265 C PHE A 18 3.599 -3.966 1.184 1.00 0.00 C ATOM 266 O PHE A 18 3.969 -3.477 2.259 1.00 0.00 O ATOM 267 CB PHE A 18 5.593 -5.138 0.241 1.00 0.00 C ATOM 268 CG PHE A 18 6.620 -5.256 -0.849 1.00 0.00 C ATOM 269 CD1 PHE A 18 6.318 -5.898 -2.037 1.00 0.00 C ATOM 270 CD2 PHE A 18 7.888 -4.720 -0.682 1.00 0.00 C ATOM 271 CE1 PHE A 18 7.262 -6.003 -3.040 1.00 0.00 C ATOM 272 CE2 PHE A 18 8.835 -4.823 -1.681 1.00 0.00 C ATOM 273 CZ PHE A 18 8.522 -5.464 -2.862 1.00 0.00 C ATOM 0 H PHE A 18 5.462 -2.299 0.713 1.00 0.00 H new ATOM 0 HA PHE A 18 4.002 -4.279 -0.910 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.101 -4.943 1.185 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.079 -6.093 0.347 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.335 -6.321 -2.181 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.137 -4.216 0.240 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.015 -6.506 -3.963 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.819 -4.402 -1.538 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.260 -5.544 -3.646 1.00 0.00 H new ATOM 283 N ILE A 19 2.382 -4.436 0.990 1.00 0.00 N ATOM 284 CA ILE A 19 1.361 -4.353 2.018 1.00 0.00 C ATOM 285 C ILE A 19 0.579 -5.659 2.118 1.00 0.00 C ATOM 286 O ILE A 19 0.046 -6.154 1.124 1.00 0.00 O ATOM 287 CB ILE A 19 0.400 -3.171 1.738 1.00 0.00 C ATOM 288 CG1 ILE A 19 1.133 -1.838 1.948 1.00 0.00 C ATOM 289 CG2 ILE A 19 -0.845 -3.250 2.611 1.00 0.00 C ATOM 290 CD1 ILE A 19 0.300 -0.618 1.621 1.00 0.00 C ATOM 0 H ILE A 19 2.075 -4.882 0.126 1.00 0.00 H new ATOM 0 HA ILE A 19 1.859 -4.179 2.972 1.00 0.00 H new ATOM 0 HB ILE A 19 0.074 -3.233 0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.459 -1.775 2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.031 -1.828 1.330 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.499 -2.406 2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.374 -4.181 2.408 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.555 -3.219 3.661 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.889 0.282 1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.005 -0.655 0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.585 -0.601 2.257 1.00 0.00 H new ATOM 302 N LYS A 20 0.540 -6.217 3.324 1.00 0.00 N ATOM 303 CA LYS A 20 -0.207 -7.438 3.586 1.00 0.00 C ATOM 304 C LYS A 20 -1.650 -7.069 3.912 1.00 0.00 C ATOM 305 O LYS A 20 -1.905 -6.258 4.808 1.00 0.00 O ATOM 306 CB LYS A 20 0.460 -8.218 4.733 1.00 0.00 C ATOM 307 CG LYS A 20 -0.129 -9.598 5.004 1.00 0.00 C ATOM 308 CD LYS A 20 -1.385 -9.518 5.852 1.00 0.00 C ATOM 309 CE LYS A 20 -2.007 -10.882 6.081 1.00 0.00 C ATOM 310 NZ LYS A 20 -3.288 -10.780 6.830 1.00 0.00 N ATOM 0 H LYS A 20 1.022 -5.838 4.139 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.207 -8.085 2.709 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.520 -8.330 4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.390 -7.624 5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.360 -10.087 4.058 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.612 -10.217 5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.144 -9.064 6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.110 -8.867 5.364 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.183 -11.368 5.121 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.310 -11.512 6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.736 -11.717 6.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.101 -10.433 7.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.924 -10.118 6.341 1.00 0.00 H new ATOM 324 N ASP A 21 -2.585 -7.660 3.186 1.00 0.00 N ATOM 325 CA ASP A 21 -3.982 -7.234 3.240 1.00 0.00 C ATOM 326 C ASP A 21 -4.825 -8.086 4.183 1.00 0.00 C ATOM 327 O ASP A 21 -4.316 -8.905 4.948 1.00 0.00 O ATOM 328 CB ASP A 21 -4.596 -7.294 1.845 1.00 0.00 C ATOM 329 CG ASP A 21 -4.905 -8.710 1.402 1.00 0.00 C ATOM 330 OD1 ASP A 21 -4.110 -9.628 1.693 1.00 0.00 O ATOM 331 OD2 ASP A 21 -5.961 -8.913 0.778 1.00 0.00 O ATOM 0 H ASP A 21 -2.406 -8.437 2.550 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.983 -6.213 3.622 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.513 -6.705 1.831 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.911 -6.836 1.131 1.00 0.00 H new ATOM 336 N GLU A 22 -6.130 -7.876 4.097 1.00 0.00 N ATOM 337 CA GLU A 22 -7.097 -8.576 4.929 1.00 0.00 C ATOM 338 C GLU A 22 -7.343 -9.996 4.419 1.00 0.00 C ATOM 339 O GLU A 22 -7.636 -10.902 5.203 1.00 0.00 O ATOM 340 CB GLU A 22 -8.413 -7.799 4.945 1.00 0.00 C ATOM 341 CG GLU A 22 -9.169 -7.889 6.260 1.00 0.00 C ATOM 342 CD GLU A 22 -10.529 -7.222 6.192 1.00 0.00 C ATOM 343 OE1 GLU A 22 -10.585 -5.983 6.044 1.00 0.00 O ATOM 344 OE2 GLU A 22 -11.554 -7.934 6.270 1.00 0.00 O ATOM 0 H GLU A 22 -6.550 -7.213 3.446 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.694 -8.644 5.939 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.207 -6.751 4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.052 -8.171 4.144 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.295 -8.937 6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.578 -7.423 7.048 1.00 0.00 H new ATOM 351 N ASN A 23 -7.215 -10.190 3.109 1.00 0.00 N ATOM 352 CA ASN A 23 -7.489 -11.490 2.503 1.00 0.00 C ATOM 353 C ASN A 23 -6.364 -12.471 2.817 1.00 0.00 C ATOM 354 O ASN A 23 -6.605 -13.660 3.020 1.00 0.00 O ATOM 355 CB ASN A 23 -7.665 -11.353 0.988 1.00 0.00 C ATOM 356 CG ASN A 23 -8.117 -12.640 0.321 1.00 0.00 C ATOM 357 OD1 ASN A 23 -7.301 -13.476 -0.067 1.00 0.00 O ATOM 358 ND2 ASN A 23 -9.422 -12.803 0.168 1.00 0.00 N ATOM 0 H ASN A 23 -6.925 -9.468 2.450 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.417 -11.876 2.925 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.394 -10.569 0.783 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.721 -11.034 0.546 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.781 -13.644 -0.284 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.068 -12.088 0.503 1.00 0.00 H new ATOM 365 N GLY A 24 -5.133 -11.975 2.846 1.00 0.00 N ATOM 366 CA GLY A 24 -4.026 -12.798 3.289 1.00 0.00 C ATOM 367 C GLY A 24 -2.917 -12.920 2.265 1.00 0.00 C ATOM 368 O GLY A 24 -2.363 -14.003 2.074 1.00 0.00 O ATOM 0 H GLY A 24 -4.883 -11.025 2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.617 -12.379 4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.398 -13.794 3.531 1.00 0.00 H new ATOM 372 N ASP A 25 -2.588 -11.828 1.600 1.00 0.00 N ATOM 373 CA ASP A 25 -1.470 -11.822 0.665 1.00 0.00 C ATOM 374 C ASP A 25 -0.686 -10.528 0.803 1.00 0.00 C ATOM 375 O ASP A 25 -1.169 -9.559 1.389 1.00 0.00 O ATOM 376 CB ASP A 25 -1.970 -11.985 -0.778 1.00 0.00 C ATOM 377 CG ASP A 25 -0.847 -12.195 -1.780 1.00 0.00 C ATOM 378 OD1 ASP A 25 -0.265 -13.302 -1.803 1.00 0.00 O ATOM 379 OD2 ASP A 25 -0.543 -11.266 -2.551 1.00 0.00 O ATOM 0 H ASP A 25 -3.074 -10.936 1.687 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.817 -12.662 0.900 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.654 -12.833 -0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.540 -11.100 -1.061 1.00 0.00 H new ATOM 384 N ASN A 26 0.521 -10.523 0.277 1.00 0.00 N ATOM 385 CA ASN A 26 1.341 -9.324 0.261 1.00 0.00 C ATOM 386 C ASN A 26 1.464 -8.826 -1.166 1.00 0.00 C ATOM 387 O ASN A 26 2.053 -9.488 -2.021 1.00 0.00 O ATOM 388 CB ASN A 26 2.722 -9.611 0.848 1.00 0.00 C ATOM 389 CG ASN A 26 3.634 -8.397 0.839 1.00 0.00 C ATOM 390 OD1 ASN A 26 3.180 -7.262 0.926 1.00 0.00 O ATOM 391 ND2 ASN A 26 4.933 -8.636 0.749 1.00 0.00 N ATOM 0 H ASN A 26 0.960 -11.340 -0.148 1.00 0.00 H new ATOM 0 HA ASN A 26 0.869 -8.556 0.873 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.609 -9.966 1.872 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.191 -10.416 0.282 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.596 -7.860 0.751 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.271 -9.596 0.678 1.00 0.00 H new ATOM 398 N ARG A 27 0.923 -7.653 -1.409 1.00 0.00 N ATOM 399 CA ARG A 27 0.793 -7.144 -2.762 1.00 0.00 C ATOM 400 C ARG A 27 1.865 -6.119 -3.073 1.00 0.00 C ATOM 401 O ARG A 27 2.402 -5.465 -2.178 1.00 0.00 O ATOM 402 CB ARG A 27 -0.599 -6.550 -2.974 1.00 0.00 C ATOM 403 CG ARG A 27 -1.679 -7.606 -3.144 1.00 0.00 C ATOM 404 CD ARG A 27 -3.055 -6.984 -3.295 1.00 0.00 C ATOM 405 NE ARG A 27 -4.050 -7.968 -3.719 1.00 0.00 N ATOM 406 CZ ARG A 27 -4.824 -8.659 -2.883 1.00 0.00 C ATOM 407 NH1 ARG A 27 -4.726 -8.465 -1.578 1.00 0.00 N ATOM 408 NH2 ARG A 27 -5.687 -9.547 -3.360 1.00 0.00 N ATOM 0 H ARG A 27 0.564 -7.029 -0.686 1.00 0.00 H new ATOM 0 HA ARG A 27 0.926 -7.979 -3.450 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.850 -5.916 -2.124 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.584 -5.910 -3.856 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.457 -8.215 -4.020 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.674 -8.273 -2.282 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.361 -6.543 -2.346 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.010 -6.174 -4.024 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.159 -8.136 -4.719 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.058 -7.787 -1.212 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.318 -8.994 -0.938 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.757 -9.700 -4.366 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.280 -10.076 -2.721 1.00 0.00 H new ATOM 422 N TYR A 28 2.175 -6.011 -4.350 1.00 0.00 N ATOM 423 CA TYR A 28 3.139 -5.050 -4.839 1.00 0.00 C ATOM 424 C TYR A 28 2.486 -3.682 -4.969 1.00 0.00 C ATOM 425 O TYR A 28 1.458 -3.530 -5.636 1.00 0.00 O ATOM 426 CB TYR A 28 3.679 -5.532 -6.192 1.00 0.00 C ATOM 427 CG TYR A 28 4.429 -4.490 -6.996 1.00 0.00 C ATOM 428 CD1 TYR A 28 5.800 -4.317 -6.855 1.00 0.00 C ATOM 429 CD2 TYR A 28 3.760 -3.696 -7.924 1.00 0.00 C ATOM 430 CE1 TYR A 28 6.479 -3.378 -7.608 1.00 0.00 C ATOM 431 CE2 TYR A 28 4.433 -2.763 -8.681 1.00 0.00 C ATOM 432 CZ TYR A 28 5.791 -2.606 -8.521 1.00 0.00 C ATOM 433 OH TYR A 28 6.466 -1.688 -9.292 1.00 0.00 O ATOM 0 H TYR A 28 1.762 -6.591 -5.080 1.00 0.00 H new ATOM 0 HA TYR A 28 3.968 -4.961 -4.137 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.341 -6.380 -6.019 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.843 -5.896 -6.790 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.343 -4.925 -6.147 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.694 -3.814 -8.052 1.00 0.00 H new ATOM 0 HE1 TYR A 28 7.544 -3.249 -7.482 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.898 -2.157 -9.397 1.00 0.00 H new ATOM 0 HH TYR A 28 5.833 -1.229 -9.883 1.00 0.00 H new ATOM 443 N PHE A 29 3.067 -2.702 -4.304 1.00 0.00 N ATOM 444 CA PHE A 29 2.590 -1.336 -4.382 1.00 0.00 C ATOM 445 C PHE A 29 3.658 -0.450 -5.000 1.00 0.00 C ATOM 446 O PHE A 29 4.853 -0.748 -4.933 1.00 0.00 O ATOM 447 CB PHE A 29 2.215 -0.806 -2.995 1.00 0.00 C ATOM 448 CG PHE A 29 0.997 -1.455 -2.395 1.00 0.00 C ATOM 449 CD1 PHE A 29 1.016 -2.782 -2.001 1.00 0.00 C ATOM 450 CD2 PHE A 29 -0.169 -0.730 -2.228 1.00 0.00 C ATOM 451 CE1 PHE A 29 -0.106 -3.373 -1.455 1.00 0.00 C ATOM 452 CE2 PHE A 29 -1.293 -1.316 -1.679 1.00 0.00 C ATOM 453 CZ PHE A 29 -1.262 -2.640 -1.294 1.00 0.00 C ATOM 0 H PHE A 29 3.878 -2.829 -3.698 1.00 0.00 H new ATOM 0 HA PHE A 29 1.698 -1.321 -5.008 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.060 -0.953 -2.322 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.044 0.268 -3.063 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.919 -3.362 -2.122 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.201 0.306 -2.530 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.078 -4.410 -1.154 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.196 -0.737 -1.551 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.141 -3.101 -0.868 1.00 0.00 H new ATOM 463 N HIS A 30 3.219 0.629 -5.609 1.00 0.00 N ATOM 464 CA HIS A 30 4.121 1.588 -6.215 1.00 0.00 C ATOM 465 C HIS A 30 3.657 2.998 -5.863 1.00 0.00 C ATOM 466 O HIS A 30 2.470 3.307 -5.962 1.00 0.00 O ATOM 467 CB HIS A 30 4.185 1.373 -7.735 1.00 0.00 C ATOM 468 CG HIS A 30 5.183 2.247 -8.437 1.00 0.00 C ATOM 469 ND1 HIS A 30 4.966 2.770 -9.691 1.00 0.00 N ATOM 470 CD2 HIS A 30 6.395 2.711 -8.046 1.00 0.00 C ATOM 471 CE1 HIS A 30 5.990 3.527 -10.036 1.00 0.00 C ATOM 472 NE2 HIS A 30 6.871 3.506 -9.055 1.00 0.00 N ATOM 0 H HIS A 30 2.231 0.868 -5.699 1.00 0.00 H new ATOM 0 HA HIS A 30 5.130 1.448 -5.827 1.00 0.00 H new ATOM 0 HB2 HIS A 30 4.429 0.329 -7.933 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.197 1.555 -8.159 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.893 2.494 -7.112 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.090 4.071 -10.964 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.763 4.001 -9.049 1.00 0.00 H new ATOM 481 N VAL A 31 4.608 3.834 -5.451 1.00 0.00 N ATOM 482 CA VAL A 31 4.338 5.184 -4.937 1.00 0.00 C ATOM 483 C VAL A 31 3.369 5.989 -5.814 1.00 0.00 C ATOM 484 O VAL A 31 2.601 6.808 -5.307 1.00 0.00 O ATOM 485 CB VAL A 31 5.663 5.974 -4.775 1.00 0.00 C ATOM 486 CG1 VAL A 31 6.362 6.158 -6.119 1.00 0.00 C ATOM 487 CG2 VAL A 31 5.422 7.320 -4.104 1.00 0.00 C ATOM 0 H VAL A 31 5.599 3.595 -5.463 1.00 0.00 H new ATOM 0 HA VAL A 31 3.856 5.048 -3.969 1.00 0.00 H new ATOM 0 HB VAL A 31 6.319 5.388 -4.131 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.288 6.715 -5.974 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.589 5.182 -6.548 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.709 6.709 -6.796 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.368 7.851 -4.004 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.736 7.911 -4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.988 7.162 -3.117 1.00 0.00 H new ATOM 497 N ILE A 32 3.384 5.738 -7.115 1.00 0.00 N ATOM 498 CA ILE A 32 2.606 6.535 -8.056 1.00 0.00 C ATOM 499 C ILE A 32 1.096 6.329 -7.872 1.00 0.00 C ATOM 500 O ILE A 32 0.299 7.237 -8.100 1.00 0.00 O ATOM 501 CB ILE A 32 3.004 6.205 -9.512 1.00 0.00 C ATOM 502 CG1 ILE A 32 2.306 7.145 -10.477 1.00 0.00 C ATOM 503 CG2 ILE A 32 2.653 4.767 -9.852 1.00 0.00 C ATOM 504 CD1 ILE A 32 2.930 7.173 -11.852 1.00 0.00 C ATOM 0 H ILE A 32 3.926 4.989 -7.545 1.00 0.00 H new ATOM 0 HA ILE A 32 2.831 7.581 -7.849 1.00 0.00 H new ATOM 0 HB ILE A 32 4.082 6.334 -9.606 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.261 6.849 -10.567 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.317 8.153 -10.062 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.942 4.556 -10.882 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.186 4.094 -9.180 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.579 4.618 -9.738 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.379 7.866 -12.488 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.967 7.498 -11.774 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.895 6.175 -12.288 1.00 0.00 H new ATOM 516 N LYS A 33 0.716 5.142 -7.430 1.00 0.00 N ATOM 517 CA LYS A 33 -0.694 4.783 -7.303 1.00 0.00 C ATOM 518 C LYS A 33 -1.195 4.965 -5.874 1.00 0.00 C ATOM 519 O LYS A 33 -2.262 4.461 -5.507 1.00 0.00 O ATOM 520 CB LYS A 33 -0.919 3.341 -7.759 1.00 0.00 C ATOM 521 CG LYS A 33 -0.626 3.116 -9.237 1.00 0.00 C ATOM 522 CD LYS A 33 -1.482 4.009 -10.124 1.00 0.00 C ATOM 523 CE LYS A 33 -1.154 3.810 -11.597 1.00 0.00 C ATOM 524 NZ LYS A 33 -1.900 4.752 -12.471 1.00 0.00 N ATOM 0 H LYS A 33 1.364 4.405 -7.151 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.264 5.455 -7.945 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.287 2.679 -7.167 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.953 3.061 -7.555 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.428 3.312 -9.433 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.808 2.071 -9.489 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.536 3.791 -9.952 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.324 5.053 -9.853 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.083 3.945 -11.750 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.390 2.786 -11.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.645 4.580 -13.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.922 4.606 -12.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.656 5.730 -12.216 1.00 0.00 H new ATOM 538 N VAL A 34 -0.431 5.686 -5.072 1.00 0.00 N ATOM 539 CA VAL A 34 -0.848 6.005 -3.717 1.00 0.00 C ATOM 540 C VAL A 34 -1.533 7.367 -3.699 1.00 0.00 C ATOM 541 O VAL A 34 -1.015 8.341 -4.254 1.00 0.00 O ATOM 542 CB VAL A 34 0.341 6.011 -2.733 1.00 0.00 C ATOM 543 CG1 VAL A 34 -0.139 6.224 -1.307 1.00 0.00 C ATOM 544 CG2 VAL A 34 1.136 4.719 -2.840 1.00 0.00 C ATOM 0 H VAL A 34 0.480 6.061 -5.335 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.543 5.230 -3.393 1.00 0.00 H new ATOM 0 HB VAL A 34 0.996 6.840 -3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.716 6.224 -0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.658 7.180 -1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.821 5.420 -1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.969 4.745 -2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.490 3.873 -2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.520 4.611 -3.854 1.00 0.00 H new ATOM 554 N ALA A 35 -2.701 7.430 -3.079 1.00 0.00 N ATOM 555 CA ALA A 35 -3.489 8.652 -3.049 1.00 0.00 C ATOM 556 C ALA A 35 -2.899 9.656 -2.069 1.00 0.00 C ATOM 557 O ALA A 35 -2.789 10.844 -2.369 1.00 0.00 O ATOM 558 CB ALA A 35 -4.934 8.337 -2.687 1.00 0.00 C ATOM 0 H ALA A 35 -3.126 6.644 -2.587 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.466 9.099 -4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.514 9.260 -2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.356 7.659 -3.429 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.969 7.866 -1.705 1.00 0.00 H new ATOM 564 N ASN A 36 -2.505 9.171 -0.904 1.00 0.00 N ATOM 565 CA ASN A 36 -1.950 10.029 0.131 1.00 0.00 C ATOM 566 C ASN A 36 -0.701 9.405 0.756 1.00 0.00 C ATOM 567 O ASN A 36 -0.747 8.819 1.835 1.00 0.00 O ATOM 568 CB ASN A 36 -3.020 10.347 1.197 1.00 0.00 C ATOM 569 CG ASN A 36 -3.639 9.111 1.840 1.00 0.00 C ATOM 570 OD1 ASN A 36 -3.637 8.022 1.267 1.00 0.00 O ATOM 571 ND2 ASN A 36 -4.215 9.281 3.021 1.00 0.00 N ATOM 0 H ASN A 36 -2.559 8.185 -0.650 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.643 10.968 -0.329 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.571 10.963 1.976 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.811 10.940 0.738 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.675 8.496 3.482 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.199 10.197 3.469 1.00 0.00 H new ATOM 578 N PRO A 37 0.446 9.518 0.061 1.00 0.00 N ATOM 579 CA PRO A 37 1.715 8.942 0.520 1.00 0.00 C ATOM 580 C PRO A 37 2.357 9.769 1.626 1.00 0.00 C ATOM 581 O PRO A 37 3.307 9.334 2.277 1.00 0.00 O ATOM 582 CB PRO A 37 2.577 8.967 -0.740 1.00 0.00 C ATOM 583 CG PRO A 37 2.075 10.140 -1.507 1.00 0.00 C ATOM 584 CD PRO A 37 0.597 10.217 -1.232 1.00 0.00 C ATOM 0 HA PRO A 37 1.588 7.948 0.950 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.634 9.074 -0.497 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.473 8.044 -1.311 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.578 11.055 -1.194 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.267 10.020 -2.573 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.254 11.250 -1.172 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.017 9.734 -2.019 1.00 0.00 H new ATOM 592 N ASP A 38 1.820 10.958 1.836 1.00 0.00 N ATOM 593 CA ASP A 38 2.335 11.874 2.847 1.00 0.00 C ATOM 594 C ASP A 38 1.988 11.384 4.249 1.00 0.00 C ATOM 595 O ASP A 38 2.610 11.775 5.234 1.00 0.00 O ATOM 596 CB ASP A 38 1.746 13.263 2.614 1.00 0.00 C ATOM 597 CG ASP A 38 2.310 14.311 3.548 1.00 0.00 C ATOM 598 OD1 ASP A 38 3.477 14.711 3.362 1.00 0.00 O ATOM 599 OD2 ASP A 38 1.575 14.763 4.451 1.00 0.00 O ATOM 0 H ASP A 38 1.020 11.317 1.316 1.00 0.00 H new ATOM 0 HA ASP A 38 3.421 11.918 2.765 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.936 13.563 1.584 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.664 13.218 2.739 1.00 0.00 H new ATOM 604 N LEU A 39 1.003 10.505 4.322 1.00 0.00 N ATOM 605 CA LEU A 39 0.517 10.001 5.590 1.00 0.00 C ATOM 606 C LEU A 39 0.970 8.564 5.818 1.00 0.00 C ATOM 607 O LEU A 39 0.488 7.885 6.725 1.00 0.00 O ATOM 608 CB LEU A 39 -1.008 10.082 5.613 1.00 0.00 C ATOM 609 CG LEU A 39 -1.581 11.498 5.725 1.00 0.00 C ATOM 610 CD1 LEU A 39 -3.096 11.471 5.601 1.00 0.00 C ATOM 611 CD2 LEU A 39 -1.168 12.135 7.043 1.00 0.00 C ATOM 0 H LEU A 39 0.522 10.124 3.507 1.00 0.00 H new ATOM 0 HA LEU A 39 0.930 10.613 6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.395 9.621 4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.375 9.491 6.452 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.179 12.098 4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.486 12.486 5.683 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.375 11.052 4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.515 10.856 6.397 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.583 13.141 7.107 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.544 11.534 7.871 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.081 12.187 7.097 1.00 0.00 H new ATOM 623 N ILE A 40 1.912 8.114 5.004 1.00 0.00 N ATOM 624 CA ILE A 40 2.376 6.736 5.063 1.00 0.00 C ATOM 625 C ILE A 40 3.429 6.528 6.150 1.00 0.00 C ATOM 626 O ILE A 40 4.441 7.232 6.207 1.00 0.00 O ATOM 627 CB ILE A 40 2.955 6.280 3.704 1.00 0.00 C ATOM 628 CG1 ILE A 40 1.844 6.169 2.662 1.00 0.00 C ATOM 629 CG2 ILE A 40 3.688 4.953 3.846 1.00 0.00 C ATOM 630 CD1 ILE A 40 2.318 5.650 1.323 1.00 0.00 C ATOM 0 H ILE A 40 2.371 8.684 4.293 1.00 0.00 H new ATOM 0 HA ILE A 40 1.503 6.131 5.307 1.00 0.00 H new ATOM 0 HB ILE A 40 3.672 7.030 3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.065 5.509 3.043 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.390 7.150 2.522 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.087 4.652 2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.507 5.064 4.557 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.996 4.192 4.206 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.475 5.598 0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.075 6.322 0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.746 4.655 1.449 1.00 0.00 H new ATOM 642 N LYS A 41 3.170 5.555 7.012 1.00 0.00 N ATOM 643 CA LYS A 41 4.159 5.071 7.961 1.00 0.00 C ATOM 644 C LYS A 41 4.060 3.556 8.037 1.00 0.00 C ATOM 645 O LYS A 41 3.102 2.969 7.536 1.00 0.00 O ATOM 646 CB LYS A 41 3.971 5.688 9.350 1.00 0.00 C ATOM 647 CG LYS A 41 2.633 5.375 9.996 1.00 0.00 C ATOM 648 CD LYS A 41 2.538 5.970 11.391 1.00 0.00 C ATOM 649 CE LYS A 41 2.506 7.489 11.353 1.00 0.00 C ATOM 650 NZ LYS A 41 2.505 8.082 12.716 1.00 0.00 N ATOM 0 H LYS A 41 2.269 5.080 7.072 1.00 0.00 H new ATOM 0 HA LYS A 41 5.149 5.368 7.614 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.768 5.334 10.003 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.080 6.770 9.272 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.827 5.767 9.376 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.497 4.295 10.049 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.640 5.599 11.884 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.389 5.639 11.987 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.370 7.856 10.799 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.618 7.819 10.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.483 9.119 12.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.667 7.753 13.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.365 7.789 13.223 1.00 0.00 H new ATOM 664 N LYS A 42 5.030 2.925 8.665 1.00 0.00 N ATOM 665 CA LYS A 42 5.079 1.473 8.699 1.00 0.00 C ATOM 666 C LYS A 42 4.099 0.939 9.745 1.00 0.00 C ATOM 667 O LYS A 42 3.951 1.526 10.817 1.00 0.00 O ATOM 668 CB LYS A 42 6.517 1.005 8.972 1.00 0.00 C ATOM 669 CG LYS A 42 6.808 -0.428 8.537 1.00 0.00 C ATOM 670 CD LYS A 42 6.388 -1.438 9.589 1.00 0.00 C ATOM 671 CE LYS A 42 6.574 -2.865 9.104 1.00 0.00 C ATOM 672 NZ LYS A 42 6.266 -3.864 10.163 1.00 0.00 N ATOM 0 H LYS A 42 5.793 3.389 9.158 1.00 0.00 H new ATOM 0 HA LYS A 42 4.777 1.074 7.731 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.207 1.675 8.459 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.719 1.096 10.039 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.284 -0.637 7.604 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.874 -0.536 8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.972 -1.283 10.496 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.343 -1.276 9.852 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.930 -3.041 8.243 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.601 -3.001 8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.456 -4.821 9.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.863 -3.683 10.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.264 -3.787 10.432 1.00 0.00 H new ATOM 686 N ASP A 43 3.418 -0.157 9.395 1.00 0.00 N ATOM 687 CA ASP A 43 2.400 -0.794 10.248 1.00 0.00 C ATOM 688 C ASP A 43 1.108 0.013 10.282 1.00 0.00 C ATOM 689 O ASP A 43 0.229 -0.244 11.106 1.00 0.00 O ATOM 690 CB ASP A 43 2.897 -1.029 11.682 1.00 0.00 C ATOM 691 CG ASP A 43 3.986 -2.074 11.771 1.00 0.00 C ATOM 692 OD1 ASP A 43 3.805 -3.187 11.224 1.00 0.00 O ATOM 693 OD2 ASP A 43 5.026 -1.799 12.403 1.00 0.00 O ATOM 0 H ASP A 43 3.557 -0.634 8.504 1.00 0.00 H new ATOM 0 HA ASP A 43 2.200 -1.765 9.796 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.270 -0.089 12.089 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.057 -1.335 12.305 1.00 0.00 H new ATOM 698 N ALA A 44 0.980 0.972 9.376 1.00 0.00 N ATOM 699 CA ALA A 44 -0.237 1.767 9.281 1.00 0.00 C ATOM 700 C ALA A 44 -1.300 1.030 8.472 1.00 0.00 C ATOM 701 O ALA A 44 -0.979 0.162 7.658 1.00 0.00 O ATOM 702 CB ALA A 44 0.053 3.121 8.656 1.00 0.00 C ATOM 0 H ALA A 44 1.701 1.218 8.698 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.617 1.925 10.290 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.869 3.698 8.595 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.777 3.657 9.270 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.460 2.980 7.655 1.00 0.00 H new ATOM 708 N ALA A 45 -2.558 1.384 8.698 1.00 0.00 N ATOM 709 CA ALA A 45 -3.669 0.753 8.001 1.00 0.00 C ATOM 710 C ALA A 45 -3.978 1.501 6.711 1.00 0.00 C ATOM 711 O ALA A 45 -3.968 2.731 6.685 1.00 0.00 O ATOM 712 CB ALA A 45 -4.900 0.711 8.897 1.00 0.00 C ATOM 0 H ALA A 45 -2.835 2.108 9.361 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.387 -0.269 7.750 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.723 0.236 8.363 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.675 0.140 9.798 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.184 1.727 9.173 1.00 0.00 H new ATOM 718 N VAL A 46 -4.237 0.762 5.644 1.00 0.00 N ATOM 719 CA VAL A 46 -4.534 1.367 4.353 1.00 0.00 C ATOM 720 C VAL A 46 -5.711 0.675 3.684 1.00 0.00 C ATOM 721 O VAL A 46 -6.070 -0.447 4.036 1.00 0.00 O ATOM 722 CB VAL A 46 -3.323 1.317 3.393 1.00 0.00 C ATOM 723 CG1 VAL A 46 -2.174 2.156 3.923 1.00 0.00 C ATOM 724 CG2 VAL A 46 -2.880 -0.120 3.164 1.00 0.00 C ATOM 0 H VAL A 46 -4.248 -0.258 5.645 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.780 2.410 4.554 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.632 1.737 2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.335 2.104 3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.497 3.192 4.025 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.864 1.775 4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.027 -0.134 2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.595 -0.569 4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.701 -0.688 2.726 1.00 0.00 H new ATOM 734 N THR A 47 -6.308 1.364 2.730 1.00 0.00 N ATOM 735 CA THR A 47 -7.348 0.792 1.896 1.00 0.00 C ATOM 736 C THR A 47 -6.934 0.941 0.436 1.00 0.00 C ATOM 737 O THR A 47 -6.158 1.840 0.101 1.00 0.00 O ATOM 738 CB THR A 47 -8.702 1.491 2.118 1.00 0.00 C ATOM 739 OG1 THR A 47 -8.775 1.997 3.458 1.00 0.00 O ATOM 740 CG2 THR A 47 -9.859 0.533 1.882 1.00 0.00 C ATOM 0 H THR A 47 -6.086 2.335 2.511 1.00 0.00 H new ATOM 0 HA THR A 47 -7.469 -0.258 2.161 1.00 0.00 H new ATOM 0 HB THR A 47 -8.778 2.312 1.405 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.638 2.442 3.593 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.802 1.054 2.046 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.822 0.163 0.857 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.783 -0.306 2.573 1.00 0.00 H new ATOM 748 N PHE A 48 -7.436 0.075 -0.424 1.00 0.00 N ATOM 749 CA PHE A 48 -7.016 0.061 -1.820 1.00 0.00 C ATOM 750 C PHE A 48 -7.951 -0.779 -2.676 1.00 0.00 C ATOM 751 O PHE A 48 -8.834 -1.472 -2.159 1.00 0.00 O ATOM 752 CB PHE A 48 -5.583 -0.479 -1.936 1.00 0.00 C ATOM 753 CG PHE A 48 -5.338 -1.745 -1.152 1.00 0.00 C ATOM 754 CD1 PHE A 48 -5.778 -2.972 -1.625 1.00 0.00 C ATOM 755 CD2 PHE A 48 -4.664 -1.705 0.060 1.00 0.00 C ATOM 756 CE1 PHE A 48 -5.552 -4.131 -0.907 1.00 0.00 C ATOM 757 CE2 PHE A 48 -4.434 -2.860 0.781 1.00 0.00 C ATOM 758 CZ PHE A 48 -4.879 -4.075 0.297 1.00 0.00 C ATOM 0 H PHE A 48 -8.135 -0.629 -0.185 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.051 1.087 -2.186 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.360 -0.666 -2.987 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.888 0.288 -1.594 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.304 -3.023 -2.567 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.315 -0.758 0.445 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.901 -5.079 -1.287 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.907 -2.814 1.722 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.701 -4.979 0.860 1.00 0.00 H new ATOM 768 N GLU A 49 -7.750 -0.707 -3.987 1.00 0.00 N ATOM 769 CA GLU A 49 -8.496 -1.526 -4.928 1.00 0.00 C ATOM 770 C GLU A 49 -7.628 -2.698 -5.367 1.00 0.00 C ATOM 771 O GLU A 49 -6.418 -2.541 -5.540 1.00 0.00 O ATOM 772 CB GLU A 49 -8.893 -0.713 -6.166 1.00 0.00 C ATOM 773 CG GLU A 49 -9.463 0.663 -5.871 1.00 0.00 C ATOM 774 CD GLU A 49 -10.641 0.634 -4.919 1.00 0.00 C ATOM 775 OE1 GLU A 49 -11.644 -0.042 -5.223 1.00 0.00 O ATOM 776 OE2 GLU A 49 -10.570 1.302 -3.865 1.00 0.00 O ATOM 0 H GLU A 49 -7.070 -0.084 -4.422 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.401 -1.882 -4.436 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.017 -0.598 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.629 -1.281 -6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.678 1.290 -5.448 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.773 1.128 -6.807 1.00 0.00 H new ATOM 783 N PRO A 50 -8.220 -3.878 -5.568 1.00 0.00 N ATOM 784 CA PRO A 50 -7.482 -5.052 -6.019 1.00 0.00 C ATOM 785 C PRO A 50 -7.203 -5.016 -7.518 1.00 0.00 C ATOM 786 O PRO A 50 -7.981 -4.454 -8.293 1.00 0.00 O ATOM 787 CB PRO A 50 -8.414 -6.208 -5.674 1.00 0.00 C ATOM 788 CG PRO A 50 -9.785 -5.624 -5.732 1.00 0.00 C ATOM 789 CD PRO A 50 -9.651 -4.167 -5.359 1.00 0.00 C ATOM 0 HA PRO A 50 -6.501 -5.126 -5.550 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.304 -7.029 -6.382 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.197 -6.609 -4.684 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -10.209 -5.731 -6.730 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.455 -6.140 -5.044 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.282 -3.535 -5.984 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.948 -3.990 -4.325 1.00 0.00 H new ATOM 797 N THR A 51 -6.085 -5.597 -7.921 1.00 0.00 N ATOM 798 CA THR A 51 -5.728 -5.671 -9.327 1.00 0.00 C ATOM 799 C THR A 51 -4.591 -6.670 -9.523 1.00 0.00 C ATOM 800 O THR A 51 -4.010 -7.163 -8.553 1.00 0.00 O ATOM 801 CB THR A 51 -5.320 -4.283 -9.882 1.00 0.00 C ATOM 802 OG1 THR A 51 -5.137 -4.344 -11.303 1.00 0.00 O ATOM 803 CG2 THR A 51 -4.041 -3.784 -9.229 1.00 0.00 C ATOM 0 H THR A 51 -5.407 -6.026 -7.291 1.00 0.00 H new ATOM 0 HA THR A 51 -6.605 -6.007 -9.881 1.00 0.00 H new ATOM 0 HB THR A 51 -6.126 -3.586 -9.650 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.904 -3.454 -11.641 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.780 -2.808 -9.639 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.192 -3.697 -8.153 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.233 -4.488 -9.427 1.00 0.00 H new ATOM 811 N THR A 52 -4.283 -6.977 -10.771 1.00 0.00 N ATOM 812 CA THR A 52 -3.212 -7.902 -11.076 1.00 0.00 C ATOM 813 C THR A 52 -2.035 -7.155 -11.690 1.00 0.00 C ATOM 814 O THR A 52 -2.202 -6.077 -12.266 1.00 0.00 O ATOM 815 CB THR A 52 -3.688 -9.001 -12.044 1.00 0.00 C ATOM 816 OG1 THR A 52 -5.022 -9.400 -11.704 1.00 0.00 O ATOM 817 CG2 THR A 52 -2.771 -10.215 -11.990 1.00 0.00 C ATOM 0 H THR A 52 -4.761 -6.598 -11.588 1.00 0.00 H new ATOM 0 HA THR A 52 -2.899 -8.374 -10.145 1.00 0.00 H new ATOM 0 HB THR A 52 -3.666 -8.595 -13.055 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.322 -10.098 -12.323 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.132 -10.975 -12.684 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.760 -9.920 -12.269 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.764 -10.621 -10.979 1.00 0.00 H new ATOM 825 N ASN A 53 -0.853 -7.727 -11.556 1.00 0.00 N ATOM 826 CA ASN A 53 0.362 -7.128 -12.080 1.00 0.00 C ATOM 827 C ASN A 53 1.145 -8.166 -12.870 1.00 0.00 C ATOM 828 O ASN A 53 0.906 -9.368 -12.738 1.00 0.00 O ATOM 829 CB ASN A 53 1.215 -6.578 -10.937 1.00 0.00 C ATOM 830 CG ASN A 53 2.412 -5.812 -11.441 1.00 0.00 C ATOM 831 OD1 ASN A 53 3.524 -6.340 -11.498 1.00 0.00 O ATOM 832 ND2 ASN A 53 2.183 -4.585 -11.863 1.00 0.00 N ATOM 0 H ASN A 53 -0.707 -8.618 -11.082 1.00 0.00 H new ATOM 0 HA ASN A 53 0.097 -6.303 -12.741 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.605 -5.926 -10.311 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.551 -7.402 -10.307 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.943 -4.031 -12.257 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.245 -4.189 -11.796 1.00 0.00 H new ATOM 839 N ASN A 54 2.066 -7.693 -13.692 1.00 0.00 N ATOM 840 CA ASN A 54 2.934 -8.554 -14.485 1.00 0.00 C ATOM 841 C ASN A 54 3.747 -9.482 -13.574 1.00 0.00 C ATOM 842 O ASN A 54 3.978 -10.647 -13.899 1.00 0.00 O ATOM 843 CB ASN A 54 3.851 -7.668 -15.341 1.00 0.00 C ATOM 844 CG ASN A 54 4.716 -8.425 -16.339 1.00 0.00 C ATOM 845 OD1 ASN A 54 5.190 -9.528 -16.080 1.00 0.00 O ATOM 846 ND2 ASN A 54 4.930 -7.825 -17.499 1.00 0.00 N ATOM 0 H ASN A 54 2.235 -6.697 -13.830 1.00 0.00 H new ATOM 0 HA ASN A 54 2.335 -9.188 -15.139 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.236 -6.951 -15.885 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.500 -7.095 -14.679 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.504 -8.279 -18.210 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.521 -6.909 -17.682 1.00 0.00 H new ATOM 853 N LYS A 55 4.150 -8.963 -12.420 1.00 0.00 N ATOM 854 CA LYS A 55 4.953 -9.719 -11.474 1.00 0.00 C ATOM 855 C LYS A 55 4.083 -10.575 -10.550 1.00 0.00 C ATOM 856 O LYS A 55 4.348 -11.763 -10.361 1.00 0.00 O ATOM 857 CB LYS A 55 5.810 -8.755 -10.653 1.00 0.00 C ATOM 858 CG LYS A 55 6.730 -7.903 -11.507 1.00 0.00 C ATOM 859 CD LYS A 55 7.589 -6.975 -10.671 1.00 0.00 C ATOM 860 CE LYS A 55 8.466 -6.102 -11.553 1.00 0.00 C ATOM 861 NZ LYS A 55 9.341 -6.912 -12.442 1.00 0.00 N ATOM 0 H LYS A 55 3.930 -8.014 -12.118 1.00 0.00 H new ATOM 0 HA LYS A 55 5.596 -10.397 -12.035 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.158 -8.104 -10.071 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.408 -9.325 -9.942 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.372 -8.551 -12.104 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.134 -7.314 -12.204 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.952 -6.346 -10.049 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.214 -7.561 -9.997 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.837 -5.451 -12.159 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.082 -5.457 -10.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.090 -6.308 -12.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.771 -7.685 -11.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.774 -7.310 -13.218 1.00 0.00 H new ATOM 875 N GLY A 56 3.055 -9.969 -9.972 1.00 0.00 N ATOM 876 CA GLY A 56 2.190 -10.690 -9.056 1.00 0.00 C ATOM 877 C GLY A 56 0.908 -9.939 -8.773 1.00 0.00 C ATOM 878 O GLY A 56 0.335 -9.324 -9.670 1.00 0.00 O ATOM 0 H GLY A 56 2.804 -8.992 -10.120 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.952 -11.667 -9.476 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.720 -10.866 -8.120 1.00 0.00 H new ATOM 882 N LEU A 57 0.451 -9.985 -7.532 1.00 0.00 N ATOM 883 CA LEU A 57 -0.739 -9.259 -7.137 1.00 0.00 C ATOM 884 C LEU A 57 -0.375 -7.832 -6.748 1.00 0.00 C ATOM 885 O LEU A 57 0.724 -7.574 -6.253 1.00 0.00 O ATOM 886 CB LEU A 57 -1.431 -9.973 -5.977 1.00 0.00 C ATOM 887 CG LEU A 57 -1.915 -11.393 -6.281 1.00 0.00 C ATOM 888 CD1 LEU A 57 -2.646 -11.974 -5.080 1.00 0.00 C ATOM 889 CD2 LEU A 57 -2.816 -11.403 -7.508 1.00 0.00 C ATOM 0 H LEU A 57 0.889 -10.519 -6.782 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.429 -9.223 -7.980 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.742 -10.014 -5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.286 -9.375 -5.661 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.044 -12.014 -6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.983 -12.984 -5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.972 -12.005 -4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.507 -11.350 -4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.149 -12.422 -7.707 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.682 -10.767 -7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.263 -11.028 -8.369 1.00 0.00 H new ATOM 901 N SER A 58 -1.294 -6.909 -6.972 1.00 0.00 N ATOM 902 CA SER A 58 -1.028 -5.499 -6.745 1.00 0.00 C ATOM 903 C SER A 58 -2.306 -4.760 -6.378 1.00 0.00 C ATOM 904 O SER A 58 -3.402 -5.322 -6.448 1.00 0.00 O ATOM 905 CB SER A 58 -0.399 -4.877 -7.988 1.00 0.00 C ATOM 906 OG SER A 58 -0.945 -5.449 -9.160 1.00 0.00 O ATOM 0 H SER A 58 -2.234 -7.112 -7.312 1.00 0.00 H new ATOM 0 HA SER A 58 -0.331 -5.411 -5.912 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.569 -3.800 -7.989 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.680 -5.029 -7.971 1.00 0.00 H new ATOM 0 HG SER A 58 -1.038 -4.758 -9.849 1.00 0.00 H new ATOM 912 N ALA A 59 -2.155 -3.520 -5.946 1.00 0.00 N ATOM 913 CA ALA A 59 -3.298 -2.700 -5.575 1.00 0.00 C ATOM 914 C ALA A 59 -3.181 -1.289 -6.138 1.00 0.00 C ATOM 915 O ALA A 59 -2.076 -0.778 -6.343 1.00 0.00 O ATOM 916 CB ALA A 59 -3.436 -2.653 -4.069 1.00 0.00 C ATOM 0 H ALA A 59 -1.252 -3.057 -5.843 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.191 -3.155 -6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.294 -2.037 -3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.581 -3.663 -3.685 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.533 -2.225 -3.634 1.00 0.00 H new ATOM 922 N TYR A 60 -4.331 -0.667 -6.392 1.00 0.00 N ATOM 923 CA TYR A 60 -4.382 0.719 -6.856 1.00 0.00 C ATOM 924 C TYR A 60 -5.161 1.582 -5.876 1.00 0.00 C ATOM 925 O TYR A 60 -5.783 1.065 -4.946 1.00 0.00 O ATOM 926 CB TYR A 60 -5.052 0.838 -8.226 1.00 0.00 C ATOM 927 CG TYR A 60 -4.316 0.182 -9.373 1.00 0.00 C ATOM 928 CD1 TYR A 60 -2.935 0.268 -9.498 1.00 0.00 C ATOM 929 CD2 TYR A 60 -5.020 -0.506 -10.349 1.00 0.00 C ATOM 930 CE1 TYR A 60 -2.277 -0.324 -10.561 1.00 0.00 C ATOM 931 CE2 TYR A 60 -4.373 -1.096 -11.414 1.00 0.00 C ATOM 932 CZ TYR A 60 -3.003 -1.001 -11.518 1.00 0.00 C ATOM 933 OH TYR A 60 -2.360 -1.583 -12.585 1.00 0.00 O ATOM 0 H TYR A 60 -5.246 -1.104 -6.283 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.349 1.060 -6.931 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.049 0.403 -8.162 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.180 1.895 -8.457 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.366 0.805 -8.754 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.095 -0.581 -10.274 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.202 -0.256 -10.641 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.938 -1.630 -12.163 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.018 -2.020 -13.165 1.00 0.00 H new ATOM 943 N ALA A 61 -5.134 2.895 -6.116 1.00 0.00 N ATOM 944 CA ALA A 61 -5.892 3.864 -5.323 1.00 0.00 C ATOM 945 C ALA A 61 -5.662 3.659 -3.832 1.00 0.00 C ATOM 946 O ALA A 61 -6.608 3.598 -3.045 1.00 0.00 O ATOM 947 CB ALA A 61 -7.376 3.772 -5.654 1.00 0.00 C ATOM 0 H ALA A 61 -4.586 3.316 -6.866 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.537 4.862 -5.579 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.928 4.498 -5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.526 3.983 -6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.737 2.768 -5.430 1.00 0.00 H new ATOM 953 N VAL A 62 -4.400 3.564 -3.453 1.00 0.00 N ATOM 954 CA VAL A 62 -4.037 3.270 -2.078 1.00 0.00 C ATOM 955 C VAL A 62 -4.195 4.501 -1.197 1.00 0.00 C ATOM 956 O VAL A 62 -3.435 5.462 -1.318 1.00 0.00 O ATOM 957 CB VAL A 62 -2.583 2.770 -1.989 1.00 0.00 C ATOM 958 CG1 VAL A 62 -2.273 2.244 -0.595 1.00 0.00 C ATOM 959 CG2 VAL A 62 -2.322 1.708 -3.044 1.00 0.00 C ATOM 0 H VAL A 62 -3.606 3.687 -4.081 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.709 2.488 -1.725 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.918 3.612 -2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.240 1.897 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.414 3.042 0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.942 1.416 -0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.290 1.365 -2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.997 0.866 -2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.492 2.130 -4.035 1.00 0.00 H new ATOM 969 N LYS A 63 -5.197 4.481 -0.331 1.00 0.00 N ATOM 970 CA LYS A 63 -5.396 5.546 0.620 1.00 0.00 C ATOM 971 C LYS A 63 -5.060 5.052 2.023 1.00 0.00 C ATOM 972 O LYS A 63 -5.530 3.998 2.456 1.00 0.00 O ATOM 973 CB LYS A 63 -6.832 6.092 0.562 1.00 0.00 C ATOM 974 CG LYS A 63 -7.924 5.114 0.983 1.00 0.00 C ATOM 975 CD LYS A 63 -8.275 4.128 -0.119 1.00 0.00 C ATOM 976 CE LYS A 63 -8.967 4.803 -1.291 1.00 0.00 C ATOM 977 NZ LYS A 63 -9.233 3.842 -2.390 1.00 0.00 N ATOM 0 H LYS A 63 -5.885 3.730 -0.273 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.728 6.367 0.362 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.893 6.974 1.200 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.036 6.421 -0.457 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.596 4.566 1.866 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.817 5.671 1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.367 3.637 -0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.923 3.350 0.284 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.906 5.244 -0.956 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.346 5.619 -1.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.968 4.227 -3.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.360 3.686 -2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.558 2.939 -1.990 1.00 0.00 H new ATOM 991 N VAL A 64 -4.223 5.802 2.712 1.00 0.00 N ATOM 992 CA VAL A 64 -3.799 5.443 4.052 1.00 0.00 C ATOM 993 C VAL A 64 -4.810 5.933 5.077 1.00 0.00 C ATOM 994 O VAL A 64 -5.404 7.001 4.909 1.00 0.00 O ATOM 995 CB VAL A 64 -2.413 6.040 4.371 1.00 0.00 C ATOM 996 CG1 VAL A 64 -1.889 5.545 5.711 1.00 0.00 C ATOM 997 CG2 VAL A 64 -1.435 5.714 3.257 1.00 0.00 C ATOM 0 H VAL A 64 -3.820 6.671 2.363 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.733 4.356 4.101 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.518 7.123 4.441 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.911 5.985 5.904 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.580 5.836 6.502 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.800 4.459 5.688 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.460 6.140 3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.344 4.632 3.158 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.798 6.135 2.319 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.008 5.147 6.124 1.00 0.00 N ATOM 1008 CA VAL A 65 -5.907 5.513 7.206 1.00 0.00 C ATOM 1009 C VAL A 65 -5.122 5.723 8.502 1.00 0.00 C ATOM 1010 O VAL A 65 -4.945 4.795 9.297 1.00 0.00 O ATOM 1011 CB VAL A 65 -6.995 4.439 7.429 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -7.909 4.820 8.583 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.804 4.221 6.157 1.00 0.00 C ATOM 0 H VAL A 65 -4.553 4.243 6.247 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.398 6.444 6.922 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.497 3.504 7.686 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.666 4.047 8.718 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.321 4.917 9.496 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.396 5.770 8.363 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.565 3.461 6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.285 5.155 5.867 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.142 3.891 5.357 1.00 0.00 H new ATOM 1023 N PRO A 66 -4.582 6.931 8.700 1.00 0.00 N ATOM 1024 CA PRO A 66 -3.884 7.295 9.914 1.00 0.00 C ATOM 1025 C PRO A 66 -4.784 8.044 10.895 1.00 0.00 C ATOM 1026 O PRO A 66 -5.849 8.541 10.525 1.00 0.00 O ATOM 1027 CB PRO A 66 -2.793 8.217 9.384 1.00 0.00 C ATOM 1028 CG PRO A 66 -3.396 8.881 8.183 1.00 0.00 C ATOM 1029 CD PRO A 66 -4.571 8.038 7.739 1.00 0.00 C ATOM 0 HA PRO A 66 -3.520 6.432 10.471 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.498 8.951 10.134 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.897 7.656 9.117 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.720 9.893 8.427 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.661 8.966 7.383 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.503 8.603 7.767 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.445 7.681 6.717 1.00 0.00 H new ATOM 1037 N LEU A 67 -4.350 8.132 12.140 1.00 0.00 N ATOM 1038 CA LEU A 67 -5.082 8.877 13.152 1.00 0.00 C ATOM 1039 C LEU A 67 -4.589 10.319 13.196 1.00 0.00 C ATOM 1040 O LEU A 67 -5.034 11.120 14.019 1.00 0.00 O ATOM 1041 CB LEU A 67 -4.927 8.227 14.533 1.00 0.00 C ATOM 1042 CG LEU A 67 -3.514 8.247 15.133 1.00 0.00 C ATOM 1043 CD1 LEU A 67 -3.582 7.983 16.625 1.00 0.00 C ATOM 1044 CD2 LEU A 67 -2.618 7.210 14.465 1.00 0.00 C ATOM 0 H LEU A 67 -3.492 7.696 12.476 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.139 8.866 12.886 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.602 8.729 15.226 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.256 7.190 14.463 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.085 9.233 14.957 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.576 7.999 17.044 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.186 8.754 17.104 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.033 7.007 16.802 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.624 7.247 14.910 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.043 6.216 14.608 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.546 7.424 13.399 1.00 0.00 H new ATOM 1056 N GLU A 68 -3.667 10.635 12.295 1.00 0.00 N ATOM 1057 CA GLU A 68 -3.075 11.962 12.232 1.00 0.00 C ATOM 1058 C GLU A 68 -3.880 12.864 11.300 1.00 0.00 C ATOM 1059 O GLU A 68 -4.804 13.553 11.738 1.00 0.00 O ATOM 1060 CB GLU A 68 -1.623 11.871 11.750 1.00 0.00 C ATOM 1061 CG GLU A 68 -0.817 13.146 11.948 1.00 0.00 C ATOM 1062 CD GLU A 68 -0.533 13.423 13.408 1.00 0.00 C ATOM 1063 OE1 GLU A 68 0.153 12.595 14.043 1.00 0.00 O ATOM 1064 OE2 GLU A 68 -0.992 14.459 13.928 1.00 0.00 O ATOM 0 H GLU A 68 -3.312 9.984 11.594 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.090 12.394 13.233 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.128 11.056 12.278 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.619 11.613 10.691 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.125 13.066 11.405 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.361 13.988 11.520 1.00 0.00 H new ATOM 1071 N HIS A 69 -3.528 12.839 10.006 1.00 0.00 N ATOM 1072 CA HIS A 69 -4.160 13.700 9.000 1.00 0.00 C ATOM 1073 C HIS A 69 -4.031 15.162 9.438 1.00 0.00 C ATOM 1074 O HIS A 69 -4.833 16.015 9.076 1.00 0.00 O ATOM 1075 CB HIS A 69 -5.636 13.309 8.827 1.00 0.00 C ATOM 1076 CG HIS A 69 -6.232 13.671 7.494 1.00 0.00 C ATOM 1077 ND1 HIS A 69 -6.732 12.728 6.620 1.00 0.00 N ATOM 1078 CD2 HIS A 69 -6.426 14.870 6.895 1.00 0.00 C ATOM 1079 CE1 HIS A 69 -7.201 13.331 5.545 1.00 0.00 C ATOM 1080 NE2 HIS A 69 -7.028 14.630 5.688 1.00 0.00 N ATOM 0 H HIS A 69 -2.803 12.226 9.631 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.662 13.573 8.039 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -5.732 12.233 8.972 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.219 13.790 9.613 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.156 15.836 7.295 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.650 12.843 4.692 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -7.299 15.342 5.009 1.00 0.00 H new ATOM 1089 N HIS A 70 -2.978 15.431 10.196 1.00 0.00 N ATOM 1090 CA HIS A 70 -2.808 16.702 10.886 1.00 0.00 C ATOM 1091 C HIS A 70 -1.516 17.390 10.436 1.00 0.00 C ATOM 1092 O HIS A 70 -1.077 18.370 11.043 1.00 0.00 O ATOM 1093 CB HIS A 70 -2.800 16.418 12.400 1.00 0.00 C ATOM 1094 CG HIS A 70 -2.616 17.611 13.285 1.00 0.00 C ATOM 1095 ND1 HIS A 70 -1.529 17.765 14.121 1.00 0.00 N ATOM 1096 CD2 HIS A 70 -3.391 18.702 13.474 1.00 0.00 C ATOM 1097 CE1 HIS A 70 -1.645 18.898 14.785 1.00 0.00 C ATOM 1098 NE2 HIS A 70 -2.765 19.485 14.410 1.00 0.00 N ATOM 0 H HIS A 70 -2.215 14.772 10.350 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.626 17.381 10.646 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -3.740 15.934 12.665 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -2.004 15.705 12.613 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.327 18.917 12.981 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.943 19.280 15.512 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -3.110 20.379 14.760 1.00 0.00 H new ATOM 1107 N HIS A 71 -0.941 16.883 9.342 1.00 0.00 N ATOM 1108 CA HIS A 71 0.355 17.350 8.829 1.00 0.00 C ATOM 1109 C HIS A 71 1.491 16.913 9.747 1.00 0.00 C ATOM 1110 O HIS A 71 1.301 16.715 10.948 1.00 0.00 O ATOM 1111 CB HIS A 71 0.391 18.876 8.646 1.00 0.00 C ATOM 1112 CG HIS A 71 -0.455 19.381 7.517 1.00 0.00 C ATOM 1113 ND1 HIS A 71 -1.477 20.287 7.689 1.00 0.00 N ATOM 1114 CD2 HIS A 71 -0.404 19.124 6.189 1.00 0.00 C ATOM 1115 CE1 HIS A 71 -2.020 20.565 6.519 1.00 0.00 C ATOM 1116 NE2 HIS A 71 -1.386 19.873 5.589 1.00 0.00 N ATOM 0 H HIS A 71 -1.359 16.137 8.785 1.00 0.00 H new ATOM 0 HA HIS A 71 0.488 16.893 7.849 1.00 0.00 H new ATOM 0 HB2 HIS A 71 0.062 19.349 9.571 1.00 0.00 H new ATOM 0 HB3 HIS A 71 1.422 19.186 8.479 1.00 0.00 H new ATOM 0 HD2 HIS A 71 0.282 18.454 5.693 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -2.843 21.243 6.350 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.592 19.892 4.590 1.00 0.00 H new ATOM 1125 N HIS A 72 2.673 16.752 9.176 1.00 0.00 N ATOM 1126 CA HIS A 72 3.842 16.377 9.950 1.00 0.00 C ATOM 1127 C HIS A 72 5.017 17.275 9.582 1.00 0.00 C ATOM 1128 O HIS A 72 5.348 17.441 8.406 1.00 0.00 O ATOM 1129 CB HIS A 72 4.192 14.889 9.747 1.00 0.00 C ATOM 1130 CG HIS A 72 4.692 14.529 8.374 1.00 0.00 C ATOM 1131 ND1 HIS A 72 3.865 14.295 7.296 1.00 0.00 N ATOM 1132 CD2 HIS A 72 5.954 14.351 7.918 1.00 0.00 C ATOM 1133 CE1 HIS A 72 4.598 13.990 6.240 1.00 0.00 C ATOM 1134 NE2 HIS A 72 5.869 14.018 6.592 1.00 0.00 N ATOM 0 H HIS A 72 2.847 16.875 8.179 1.00 0.00 H new ATOM 0 HA HIS A 72 3.617 16.514 11.008 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.951 14.608 10.478 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.306 14.291 9.962 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.862 14.453 8.494 1.00 0.00 H new ATOM 0 HE1 HIS A 72 4.221 13.757 5.255 1.00 0.00 H new ATOM 0 HE2 HIS A 72 6.659 13.823 5.977 1.00 0.00 H new ATOM 1143 N HIS A 73 5.631 17.868 10.590 1.00 0.00 N ATOM 1144 CA HIS A 73 6.747 18.774 10.374 1.00 0.00 C ATOM 1145 C HIS A 73 8.034 17.984 10.236 1.00 0.00 C ATOM 1146 O HIS A 73 8.587 17.498 11.223 1.00 0.00 O ATOM 1147 CB HIS A 73 6.858 19.786 11.519 1.00 0.00 C ATOM 1148 CG HIS A 73 5.751 20.795 11.530 1.00 0.00 C ATOM 1149 ND1 HIS A 73 5.937 22.118 11.206 1.00 0.00 N ATOM 1150 CD2 HIS A 73 4.436 20.665 11.823 1.00 0.00 C ATOM 1151 CE1 HIS A 73 4.787 22.758 11.296 1.00 0.00 C ATOM 1152 NE2 HIS A 73 3.857 21.900 11.668 1.00 0.00 N ATOM 0 H HIS A 73 5.376 17.739 11.569 1.00 0.00 H new ATOM 0 HA HIS A 73 6.571 19.328 9.452 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.861 19.251 12.468 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.813 20.306 11.443 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.935 19.757 12.123 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.633 23.808 11.098 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.872 22.118 11.816 1.00 0.00 H new ATOM 1161 N HIS A 74 8.483 17.834 9.004 1.00 0.00 N ATOM 1162 CA HIS A 74 9.678 17.064 8.708 1.00 0.00 C ATOM 1163 C HIS A 74 10.845 18.009 8.457 1.00 0.00 C ATOM 1164 O HIS A 74 10.952 18.532 7.329 1.00 0.00 O ATOM 1165 CB HIS A 74 9.433 16.177 7.483 1.00 0.00 C ATOM 1166 CG HIS A 74 10.550 15.226 7.180 1.00 0.00 C ATOM 1167 ND1 HIS A 74 11.581 15.527 6.317 1.00 0.00 N ATOM 1168 CD2 HIS A 74 10.780 13.963 7.613 1.00 0.00 C ATOM 1169 CE1 HIS A 74 12.394 14.492 6.230 1.00 0.00 C ATOM 1170 NE2 HIS A 74 11.932 13.531 7.006 1.00 0.00 N ATOM 1171 OXT HIS A 74 11.632 18.247 9.393 1.00 0.00 O ATOM 0 H HIS A 74 8.033 18.240 8.184 1.00 0.00 H new ATOM 0 HA HIS A 74 9.920 16.425 9.557 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.517 15.607 7.639 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.268 16.814 6.614 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.171 13.402 8.306 1.00 0.00 H new ATOM 0 HE1 HIS A 74 13.287 14.440 5.625 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.362 12.615 7.134 1.00 0.00 H new TER 1180 HIS A 74