USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 420 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 9 ASN : amide:sc= 0.239 K(o=0.99,f=-2.7!) USER MOD Set 1.2: A 14 LYS NZ :NH3+ -127:sc= 0.469 (180deg=0) USER MOD Set 1.3: A 56 THR OG1 : rot -147:sc= 0.28 USER MOD Set 2.1: A 17 THR OG1 : rot 118:sc= 0.66 USER MOD Set 2.2: A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.134 (180deg=-0.181) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -136:sc= 1.25 (180deg=0.187) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 103:sc= 0.99 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc=-0.00623 K(o=-0.0062,f=-0.67) USER MOD Single : A 38 ASN : amide:sc= -0.099 K(o=-0.099,f=-1.7!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 83:sc= 1.16 USER MOD Single : A 51 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00971) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0438 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.442 2.552 2.808 1.00 0.00 N ATOM 2 CA MET A 1 -16.031 2.496 2.375 1.00 0.00 C ATOM 3 C MET A 1 -15.424 1.162 2.807 1.00 0.00 C ATOM 4 O MET A 1 -16.140 0.303 3.328 1.00 0.00 O ATOM 5 CB MET A 1 -15.214 3.694 2.900 1.00 0.00 C ATOM 6 CG MET A 1 -15.884 5.032 2.584 1.00 0.00 C ATOM 7 SD MET A 1 -16.450 5.165 0.868 1.00 0.00 S ATOM 8 CE MET A 1 -17.383 6.710 0.944 1.00 0.00 C ATOM 0 H1 MET A 1 -18.032 2.897 2.024 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.758 1.601 3.086 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.531 3.197 3.619 1.00 0.00 H new ATOM 0 HA MET A 1 -15.997 2.565 1.288 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.085 3.600 3.978 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.218 3.675 2.457 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.735 5.171 3.251 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.182 5.840 2.791 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.798 6.933 -0.039 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.193 6.610 1.666 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.721 7.520 1.251 1.00 0.00 H new ATOM 18 N GLY A 2 -14.126 0.948 2.581 1.00 0.00 N ATOM 19 CA GLY A 2 -13.408 -0.267 2.951 1.00 0.00 C ATOM 20 C GLY A 2 -12.006 0.143 3.391 1.00 0.00 C ATOM 21 O GLY A 2 -11.452 1.103 2.838 1.00 0.00 O ATOM 0 H GLY A 2 -13.531 1.637 2.122 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -13.926 -0.787 3.757 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.359 -0.955 2.107 1.00 0.00 H new ATOM 25 N THR A 3 -11.417 -0.577 4.343 1.00 0.00 N ATOM 26 CA THR A 3 -10.095 -0.279 4.880 1.00 0.00 C ATOM 27 C THR A 3 -9.030 -1.103 4.170 1.00 0.00 C ATOM 28 O THR A 3 -9.069 -2.329 4.251 1.00 0.00 O ATOM 29 CB THR A 3 -10.095 -0.546 6.396 1.00 0.00 C ATOM 30 OG1 THR A 3 -11.203 0.104 6.989 1.00 0.00 O ATOM 31 CG2 THR A 3 -8.815 -0.030 7.064 1.00 0.00 C ATOM 0 H THR A 3 -11.853 -1.396 4.768 1.00 0.00 H new ATOM 0 HA THR A 3 -9.858 0.771 4.709 1.00 0.00 H new ATOM 0 HB THR A 3 -10.153 -1.625 6.541 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.205 -0.067 7.954 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.854 -0.237 8.133 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.950 -0.530 6.628 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.730 1.045 6.906 1.00 0.00 H new ATOM 39 N TYR A 4 -8.105 -0.433 3.475 1.00 0.00 N ATOM 40 CA TYR A 4 -7.012 -1.074 2.762 1.00 0.00 C ATOM 41 C TYR A 4 -5.792 -1.068 3.680 1.00 0.00 C ATOM 42 O TYR A 4 -5.413 -0.034 4.247 1.00 0.00 O ATOM 43 CB TYR A 4 -6.708 -0.372 1.427 1.00 0.00 C ATOM 44 CG TYR A 4 -7.429 -0.990 0.242 1.00 0.00 C ATOM 45 CD1 TYR A 4 -7.016 -2.249 -0.239 1.00 0.00 C ATOM 46 CD2 TYR A 4 -8.513 -0.331 -0.370 1.00 0.00 C ATOM 47 CE1 TYR A 4 -7.676 -2.853 -1.322 1.00 0.00 C ATOM 48 CE2 TYR A 4 -9.189 -0.935 -1.446 1.00 0.00 C ATOM 49 CZ TYR A 4 -8.770 -2.196 -1.928 1.00 0.00 C ATOM 50 OH TYR A 4 -9.454 -2.791 -2.943 1.00 0.00 O ATOM 0 H TYR A 4 -8.101 0.584 3.395 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.290 -2.097 2.508 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.988 0.678 1.506 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.634 -0.403 1.245 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.184 -2.754 0.230 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -8.826 0.639 -0.013 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.349 -3.814 -1.689 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -10.029 -0.434 -1.904 1.00 0.00 H new ATOM 0 HH TYR A 4 -10.176 -2.200 -3.242 1.00 0.00 H new ATOM 60 N LYS A 5 -5.207 -2.248 3.842 1.00 0.00 N ATOM 61 CA LYS A 5 -4.032 -2.524 4.652 1.00 0.00 C ATOM 62 C LYS A 5 -2.830 -2.392 3.740 1.00 0.00 C ATOM 63 O LYS A 5 -2.734 -3.129 2.760 1.00 0.00 O ATOM 64 CB LYS A 5 -4.173 -3.927 5.254 1.00 0.00 C ATOM 65 CG LYS A 5 -5.412 -3.968 6.159 1.00 0.00 C ATOM 66 CD LYS A 5 -5.208 -4.844 7.390 1.00 0.00 C ATOM 67 CE LYS A 5 -6.423 -4.653 8.298 1.00 0.00 C ATOM 68 NZ LYS A 5 -6.250 -5.352 9.574 1.00 0.00 N ATOM 0 H LYS A 5 -5.563 -3.087 3.383 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.916 -1.831 5.485 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.263 -4.668 4.460 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.281 -4.181 5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.660 -2.955 6.475 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.262 -4.341 5.588 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.105 -5.890 7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.292 -4.565 7.911 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.579 -3.590 8.482 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.317 -5.024 7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.091 -5.203 10.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.126 -6.369 9.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.411 -4.980 10.063 1.00 0.00 H new ATOM 82 N LEU A 6 -1.970 -1.412 3.997 1.00 0.00 N ATOM 83 CA LEU A 6 -0.783 -1.145 3.202 1.00 0.00 C ATOM 84 C LEU A 6 0.411 -1.859 3.811 1.00 0.00 C ATOM 85 O LEU A 6 0.737 -1.606 4.976 1.00 0.00 O ATOM 86 CB LEU A 6 -0.539 0.372 3.166 1.00 0.00 C ATOM 87 CG LEU A 6 0.254 0.886 1.953 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.587 0.194 1.671 1.00 0.00 C ATOM 89 CD2 LEU A 6 -0.599 0.777 0.695 1.00 0.00 C ATOM 0 H LEU A 6 -2.084 -0.769 4.781 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.924 -1.511 2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.504 0.878 3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.008 0.659 4.074 1.00 0.00 H new ATOM 0 HG LEU A 6 0.497 1.915 2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.052 0.643 0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.247 0.311 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.415 -0.867 1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.033 1.142 -0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.873 -0.265 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.502 1.375 0.815 1.00 0.00 H new ATOM 101 N ILE A 7 1.076 -2.716 3.039 1.00 0.00 N ATOM 102 CA ILE A 7 2.243 -3.464 3.478 1.00 0.00 C ATOM 103 C ILE A 7 3.401 -3.116 2.546 1.00 0.00 C ATOM 104 O ILE A 7 3.341 -3.353 1.337 1.00 0.00 O ATOM 105 CB ILE A 7 1.974 -4.986 3.570 1.00 0.00 C ATOM 106 CG1 ILE A 7 0.709 -5.323 4.394 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.185 -5.662 4.241 1.00 0.00 C ATOM 108 CD1 ILE A 7 -0.560 -5.437 3.541 1.00 0.00 C ATOM 0 H ILE A 7 0.811 -2.911 2.074 1.00 0.00 H new ATOM 0 HA ILE A 7 2.503 -3.177 4.497 1.00 0.00 H new ATOM 0 HB ILE A 7 1.815 -5.350 2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.868 -6.263 4.923 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.561 -4.553 5.151 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.009 -6.735 4.312 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.080 -5.480 3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.324 -5.250 5.240 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.409 -5.675 4.182 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.743 -4.490 3.033 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.431 -6.227 2.801 1.00 0.00 H new ATOM 120 N LEU A 8 4.400 -2.433 3.094 1.00 0.00 N ATOM 121 CA LEU A 8 5.610 -2.042 2.391 1.00 0.00 C ATOM 122 C LEU A 8 6.465 -3.300 2.467 1.00 0.00 C ATOM 123 O LEU A 8 6.842 -3.702 3.568 1.00 0.00 O ATOM 124 CB LEU A 8 6.290 -0.856 3.108 1.00 0.00 C ATOM 125 CG LEU A 8 6.317 0.439 2.290 1.00 0.00 C ATOM 126 CD1 LEU A 8 4.912 0.925 1.940 1.00 0.00 C ATOM 127 CD2 LEU A 8 7.056 1.526 3.082 1.00 0.00 C ATOM 0 H LEU A 8 4.387 -2.129 4.068 1.00 0.00 H new ATOM 0 HA LEU A 8 5.437 -1.707 1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.771 -0.668 4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.313 -1.136 3.359 1.00 0.00 H new ATOM 0 HG LEU A 8 6.837 0.232 1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.979 1.845 1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.399 0.163 1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.353 1.114 2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.076 2.449 2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.540 1.702 4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.077 1.200 3.282 1.00 0.00 H new ATOM 139 N ASN A 9 6.732 -3.944 1.335 1.00 0.00 N ATOM 140 CA ASN A 9 7.524 -5.161 1.251 1.00 0.00 C ATOM 141 C ASN A 9 8.744 -4.832 0.396 1.00 0.00 C ATOM 142 O ASN A 9 8.775 -5.123 -0.796 1.00 0.00 O ATOM 143 CB ASN A 9 6.652 -6.285 0.668 1.00 0.00 C ATOM 144 CG ASN A 9 7.464 -7.552 0.483 1.00 0.00 C ATOM 145 OD1 ASN A 9 8.183 -7.958 1.391 1.00 0.00 O ATOM 146 ND2 ASN A 9 7.349 -8.224 -0.646 1.00 0.00 N ATOM 0 H ASN A 9 6.393 -3.623 0.428 1.00 0.00 H new ATOM 0 HA ASN A 9 7.868 -5.515 2.223 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.810 -6.480 1.332 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.237 -5.970 -0.289 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.862 -9.096 -0.775 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.747 -7.872 -1.390 1.00 0.00 H new ATOM 153 N GLY A 10 9.740 -4.187 1.003 1.00 0.00 N ATOM 154 CA GLY A 10 10.946 -3.789 0.301 1.00 0.00 C ATOM 155 C GLY A 10 12.106 -4.752 0.498 1.00 0.00 C ATOM 156 O GLY A 10 12.091 -5.654 1.342 1.00 0.00 O ATOM 0 H GLY A 10 9.728 -3.930 1.990 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.728 -3.708 -0.764 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.245 -2.798 0.641 1.00 0.00 H new ATOM 160 N LYS A 11 13.156 -4.502 -0.282 1.00 0.00 N ATOM 161 CA LYS A 11 14.409 -5.256 -0.292 1.00 0.00 C ATOM 162 C LYS A 11 15.393 -4.769 0.778 1.00 0.00 C ATOM 163 O LYS A 11 16.535 -5.232 0.813 1.00 0.00 O ATOM 164 CB LYS A 11 15.031 -5.193 -1.704 1.00 0.00 C ATOM 165 CG LYS A 11 15.791 -3.906 -2.087 1.00 0.00 C ATOM 166 CD LYS A 11 14.981 -2.607 -1.982 1.00 0.00 C ATOM 167 CE LYS A 11 15.693 -1.445 -2.684 1.00 0.00 C ATOM 168 NZ LYS A 11 15.486 -1.467 -4.148 1.00 0.00 N ATOM 0 H LYS A 11 13.157 -3.735 -0.954 1.00 0.00 H new ATOM 0 HA LYS A 11 14.186 -6.294 -0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.717 -6.033 -1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.233 -5.342 -2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.669 -3.819 -1.447 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.151 -4.008 -3.111 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.996 -2.754 -2.426 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.824 -2.358 -0.932 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.328 -0.500 -2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.761 -1.492 -2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.388 -1.276 -4.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.132 -2.402 -4.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.792 -0.738 -4.411 1.00 0.00 H new ATOM 182 N THR A 12 15.001 -3.794 1.600 1.00 0.00 N ATOM 183 CA THR A 12 15.851 -3.231 2.642 1.00 0.00 C ATOM 184 C THR A 12 15.074 -2.923 3.928 1.00 0.00 C ATOM 185 O THR A 12 15.645 -2.996 5.021 1.00 0.00 O ATOM 186 CB THR A 12 16.518 -1.960 2.078 1.00 0.00 C ATOM 187 OG1 THR A 12 17.045 -2.164 0.776 1.00 0.00 O ATOM 188 CG2 THR A 12 17.652 -1.465 2.972 1.00 0.00 C ATOM 0 H THR A 12 14.074 -3.371 1.558 1.00 0.00 H new ATOM 0 HA THR A 12 16.607 -3.966 2.920 1.00 0.00 H new ATOM 0 HB THR A 12 15.726 -1.212 2.038 1.00 0.00 H new ATOM 0 HG1 THR A 12 17.457 -1.334 0.456 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.093 -0.568 2.537 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.260 -1.233 3.962 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.414 -2.240 3.056 1.00 0.00 H new ATOM 196 N LEU A 13 13.817 -2.485 3.810 1.00 0.00 N ATOM 197 CA LEU A 13 12.951 -2.153 4.931 1.00 0.00 C ATOM 198 C LEU A 13 11.507 -2.488 4.580 1.00 0.00 C ATOM 199 O LEU A 13 11.171 -2.704 3.411 1.00 0.00 O ATOM 200 CB LEU A 13 13.153 -0.689 5.392 1.00 0.00 C ATOM 201 CG LEU A 13 12.631 0.480 4.524 1.00 0.00 C ATOM 202 CD1 LEU A 13 13.090 0.431 3.064 1.00 0.00 C ATOM 203 CD2 LEU A 13 11.112 0.683 4.598 1.00 0.00 C ATOM 0 H LEU A 13 13.367 -2.350 2.905 1.00 0.00 H new ATOM 0 HA LEU A 13 13.223 -2.763 5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.691 -0.593 6.375 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.224 -0.538 5.527 1.00 0.00 H new ATOM 0 HG LEU A 13 13.100 1.351 4.981 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.681 1.285 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.179 0.464 3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.738 -0.492 2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.825 1.521 3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.607 -0.221 4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.823 0.893 5.628 1.00 0.00 H new ATOM 215 N LYS A 14 10.644 -2.491 5.596 1.00 0.00 N ATOM 216 CA LYS A 14 9.218 -2.786 5.491 1.00 0.00 C ATOM 217 C LYS A 14 8.406 -1.830 6.352 1.00 0.00 C ATOM 218 O LYS A 14 8.978 -1.096 7.161 1.00 0.00 O ATOM 219 CB LYS A 14 8.942 -4.233 5.908 1.00 0.00 C ATOM 220 CG LYS A 14 9.554 -5.244 4.935 1.00 0.00 C ATOM 221 CD LYS A 14 8.988 -6.626 5.242 1.00 0.00 C ATOM 222 CE LYS A 14 9.533 -7.645 4.249 1.00 0.00 C ATOM 223 NZ LYS A 14 8.653 -8.823 4.149 1.00 0.00 N ATOM 0 H LYS A 14 10.932 -2.280 6.551 1.00 0.00 H new ATOM 0 HA LYS A 14 8.918 -2.655 4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.344 -4.404 6.907 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.865 -4.393 5.966 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.327 -4.963 3.907 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.640 -5.251 5.031 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.252 -6.919 6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.899 -6.602 5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.635 -7.181 3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.530 -7.959 4.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.211 -9.687 4.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.905 -8.760 4.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.222 -8.855 3.203 1.00 0.00 H new ATOM 237 N GLY A 15 7.095 -1.786 6.160 1.00 0.00 N ATOM 238 CA GLY A 15 6.185 -0.936 6.911 1.00 0.00 C ATOM 239 C GLY A 15 4.787 -1.535 6.843 1.00 0.00 C ATOM 240 O GLY A 15 4.486 -2.313 5.933 1.00 0.00 O ATOM 0 H GLY A 15 6.623 -2.357 5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.512 -0.856 7.948 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.184 0.073 6.499 1.00 0.00 H new ATOM 244 N GLU A 16 3.921 -1.182 7.787 1.00 0.00 N ATOM 245 CA GLU A 16 2.555 -1.676 7.835 1.00 0.00 C ATOM 246 C GLU A 16 1.673 -0.529 8.329 1.00 0.00 C ATOM 247 O GLU A 16 1.846 -0.067 9.459 1.00 0.00 O ATOM 248 CB GLU A 16 2.493 -2.913 8.750 1.00 0.00 C ATOM 249 CG GLU A 16 1.143 -3.621 8.603 1.00 0.00 C ATOM 250 CD GLU A 16 0.894 -4.673 9.687 1.00 0.00 C ATOM 251 OE1 GLU A 16 0.781 -4.293 10.881 1.00 0.00 O ATOM 252 OE2 GLU A 16 0.693 -5.862 9.346 1.00 0.00 O ATOM 0 H GLU A 16 4.152 -0.540 8.545 1.00 0.00 H new ATOM 0 HA GLU A 16 2.198 -1.994 6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.300 -3.600 8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.642 -2.613 9.787 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.345 -2.879 8.635 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.095 -4.098 7.624 1.00 0.00 H new ATOM 259 N THR A 17 0.706 -0.080 7.530 1.00 0.00 N ATOM 260 CA THR A 17 -0.209 1.020 7.856 1.00 0.00 C ATOM 261 C THR A 17 -1.624 0.670 7.366 1.00 0.00 C ATOM 262 O THR A 17 -1.799 -0.314 6.637 1.00 0.00 O ATOM 263 CB THR A 17 0.344 2.345 7.274 1.00 0.00 C ATOM 264 OG1 THR A 17 0.852 2.179 5.961 1.00 0.00 O ATOM 265 CG2 THR A 17 1.492 2.917 8.114 1.00 0.00 C ATOM 0 H THR A 17 0.530 -0.482 6.609 1.00 0.00 H new ATOM 0 HA THR A 17 -0.280 1.163 8.934 1.00 0.00 H new ATOM 0 HB THR A 17 -0.508 3.025 7.277 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.341 2.739 5.339 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.844 3.845 7.664 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.139 3.115 9.126 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.310 2.198 8.150 1.00 0.00 H new ATOM 273 N THR A 18 -2.649 1.444 7.736 1.00 0.00 N ATOM 274 CA THR A 18 -4.029 1.186 7.323 1.00 0.00 C ATOM 275 C THR A 18 -4.754 2.498 7.018 1.00 0.00 C ATOM 276 O THR A 18 -4.567 3.488 7.731 1.00 0.00 O ATOM 277 CB THR A 18 -4.747 0.472 8.494 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.471 1.091 9.746 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.327 -0.987 8.661 1.00 0.00 C ATOM 0 H THR A 18 -2.544 2.266 8.330 1.00 0.00 H new ATOM 0 HA THR A 18 -4.035 0.572 6.423 1.00 0.00 H new ATOM 0 HB THR A 18 -5.803 0.539 8.231 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.943 0.612 10.459 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.868 -1.428 9.499 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.558 -1.539 7.750 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.255 -1.037 8.854 1.00 0.00 H new ATOM 287 N THR A 19 -5.504 2.575 5.916 1.00 0.00 N ATOM 288 CA THR A 19 -6.296 3.746 5.537 1.00 0.00 C ATOM 289 C THR A 19 -7.527 3.275 4.754 1.00 0.00 C ATOM 290 O THR A 19 -7.401 2.396 3.895 1.00 0.00 O ATOM 291 CB THR A 19 -5.444 4.809 4.822 1.00 0.00 C ATOM 292 OG1 THR A 19 -4.457 5.280 5.718 1.00 0.00 O ATOM 293 CG2 THR A 19 -6.238 6.045 4.402 1.00 0.00 C ATOM 0 H THR A 19 -5.579 1.808 5.248 1.00 0.00 H new ATOM 0 HA THR A 19 -6.658 4.263 6.426 1.00 0.00 H new ATOM 0 HB THR A 19 -5.039 4.323 3.934 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.594 4.870 5.499 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.574 6.752 3.904 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.034 5.751 3.718 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.673 6.515 5.284 1.00 0.00 H new ATOM 301 N GLU A 20 -8.705 3.838 5.002 1.00 0.00 N ATOM 302 CA GLU A 20 -9.932 3.488 4.298 1.00 0.00 C ATOM 303 C GLU A 20 -10.248 4.557 3.256 1.00 0.00 C ATOM 304 O GLU A 20 -9.945 5.734 3.458 1.00 0.00 O ATOM 305 CB GLU A 20 -11.066 3.260 5.304 1.00 0.00 C ATOM 306 CG GLU A 20 -11.511 4.526 6.043 1.00 0.00 C ATOM 307 CD GLU A 20 -12.110 4.156 7.397 1.00 0.00 C ATOM 308 OE1 GLU A 20 -11.328 4.015 8.369 1.00 0.00 O ATOM 309 OE2 GLU A 20 -13.351 4.047 7.513 1.00 0.00 O ATOM 0 H GLU A 20 -8.835 4.562 5.709 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.808 2.550 3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.923 2.838 4.779 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.744 2.519 6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.661 5.194 6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.246 5.066 5.446 1.00 0.00 H new ATOM 316 N ALA A 21 -10.839 4.139 2.136 1.00 0.00 N ATOM 317 CA ALA A 21 -11.232 4.984 1.012 1.00 0.00 C ATOM 318 C ALA A 21 -12.328 4.282 0.210 1.00 0.00 C ATOM 319 O ALA A 21 -12.607 3.104 0.463 1.00 0.00 O ATOM 320 CB ALA A 21 -10.016 5.236 0.112 1.00 0.00 C ATOM 0 H ALA A 21 -11.066 3.157 1.983 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.608 5.937 1.385 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.309 5.867 -0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.236 5.735 0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.638 4.285 -0.263 1.00 0.00 H new ATOM 326 N VAL A 22 -12.929 4.982 -0.754 1.00 0.00 N ATOM 327 CA VAL A 22 -13.977 4.414 -1.592 1.00 0.00 C ATOM 328 C VAL A 22 -13.394 3.367 -2.542 1.00 0.00 C ATOM 329 O VAL A 22 -14.117 2.436 -2.895 1.00 0.00 O ATOM 330 CB VAL A 22 -14.752 5.531 -2.329 1.00 0.00 C ATOM 331 CG1 VAL A 22 -13.952 6.186 -3.466 1.00 0.00 C ATOM 332 CG2 VAL A 22 -16.095 5.030 -2.878 1.00 0.00 C ATOM 0 H VAL A 22 -12.702 5.952 -0.972 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.701 3.898 -0.961 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.931 6.292 -1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.557 6.960 -3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -13.044 6.632 -3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.687 5.431 -4.206 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.607 5.846 -3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.920 4.216 -3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.714 4.672 -2.055 1.00 0.00 H new ATOM 342 N ASP A 23 -12.119 3.478 -2.949 1.00 0.00 N ATOM 343 CA ASP A 23 -11.539 2.500 -3.862 1.00 0.00 C ATOM 344 C ASP A 23 -10.023 2.373 -3.739 1.00 0.00 C ATOM 345 O ASP A 23 -9.358 3.220 -3.131 1.00 0.00 O ATOM 346 CB ASP A 23 -11.929 2.834 -5.313 1.00 0.00 C ATOM 347 CG ASP A 23 -12.132 1.589 -6.176 1.00 0.00 C ATOM 348 OD1 ASP A 23 -11.846 0.448 -5.728 1.00 0.00 O ATOM 349 OD2 ASP A 23 -12.688 1.769 -7.284 1.00 0.00 O ATOM 0 H ASP A 23 -11.486 4.224 -2.662 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.951 1.532 -3.578 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.847 3.422 -5.311 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.153 3.456 -5.759 1.00 0.00 H new ATOM 354 N ALA A 24 -9.488 1.313 -4.348 1.00 0.00 N ATOM 355 CA ALA A 24 -8.081 0.942 -4.384 1.00 0.00 C ATOM 356 C ALA A 24 -7.205 2.081 -4.911 1.00 0.00 C ATOM 357 O ALA A 24 -6.199 2.412 -4.282 1.00 0.00 O ATOM 358 CB ALA A 24 -7.935 -0.326 -5.234 1.00 0.00 C ATOM 0 H ALA A 24 -10.069 0.650 -4.862 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.734 0.742 -3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.886 -0.619 -5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.521 -1.131 -4.790 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.294 -0.130 -6.244 1.00 0.00 H new ATOM 364 N ALA A 25 -7.608 2.739 -6.004 1.00 0.00 N ATOM 365 CA ALA A 25 -6.839 3.834 -6.585 1.00 0.00 C ATOM 366 C ALA A 25 -6.583 4.964 -5.579 1.00 0.00 C ATOM 367 O ALA A 25 -5.577 5.664 -5.694 1.00 0.00 O ATOM 368 CB ALA A 25 -7.566 4.381 -7.816 1.00 0.00 C ATOM 0 H ALA A 25 -8.471 2.526 -6.504 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.867 3.435 -6.876 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.988 5.199 -8.247 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.678 3.587 -8.555 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.550 4.747 -7.524 1.00 0.00 H new ATOM 374 N THR A 26 -7.495 5.215 -4.633 1.00 0.00 N ATOM 375 CA THR A 26 -7.301 6.265 -3.637 1.00 0.00 C ATOM 376 C THR A 26 -6.293 5.781 -2.593 1.00 0.00 C ATOM 377 O THR A 26 -5.465 6.574 -2.143 1.00 0.00 O ATOM 378 CB THR A 26 -8.653 6.687 -3.045 1.00 0.00 C ATOM 379 OG1 THR A 26 -9.495 7.069 -4.121 1.00 0.00 O ATOM 380 CG2 THR A 26 -8.512 7.867 -2.077 1.00 0.00 C ATOM 0 H THR A 26 -8.373 4.704 -4.539 1.00 0.00 H new ATOM 0 HA THR A 26 -6.882 7.162 -4.092 1.00 0.00 H new ATOM 0 HB THR A 26 -9.068 5.850 -2.484 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.369 7.343 -3.771 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.492 8.133 -1.682 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.853 7.587 -1.255 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.090 8.722 -2.605 1.00 0.00 H new ATOM 388 N ALA A 27 -6.342 4.500 -2.208 1.00 0.00 N ATOM 389 CA ALA A 27 -5.412 3.941 -1.239 1.00 0.00 C ATOM 390 C ALA A 27 -3.988 4.109 -1.762 1.00 0.00 C ATOM 391 O ALA A 27 -3.148 4.695 -1.081 1.00 0.00 O ATOM 392 CB ALA A 27 -5.746 2.469 -0.953 1.00 0.00 C ATOM 0 H ALA A 27 -7.026 3.831 -2.561 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.500 4.475 -0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.039 2.070 -0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.757 2.396 -0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.679 1.895 -1.877 1.00 0.00 H new ATOM 398 N GLU A 28 -3.763 3.651 -2.991 1.00 0.00 N ATOM 399 CA GLU A 28 -2.484 3.704 -3.676 1.00 0.00 C ATOM 400 C GLU A 28 -1.993 5.144 -3.840 1.00 0.00 C ATOM 401 O GLU A 28 -0.889 5.474 -3.405 1.00 0.00 O ATOM 402 CB GLU A 28 -2.677 3.022 -5.035 1.00 0.00 C ATOM 403 CG GLU A 28 -1.407 2.986 -5.898 1.00 0.00 C ATOM 404 CD GLU A 28 -1.711 3.416 -7.331 1.00 0.00 C ATOM 405 OE1 GLU A 28 -2.608 2.812 -7.956 1.00 0.00 O ATOM 406 OE2 GLU A 28 -1.077 4.371 -7.838 1.00 0.00 O ATOM 0 H GLU A 28 -4.496 3.218 -3.553 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.719 3.191 -3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.023 2.001 -4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.463 3.542 -5.583 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.652 3.644 -5.469 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.990 1.979 -5.897 1.00 0.00 H new ATOM 413 N LYS A 29 -2.816 6.023 -4.427 1.00 0.00 N ATOM 414 CA LYS A 29 -2.439 7.416 -4.658 1.00 0.00 C ATOM 415 C LYS A 29 -1.978 8.105 -3.379 1.00 0.00 C ATOM 416 O LYS A 29 -0.990 8.847 -3.416 1.00 0.00 O ATOM 417 CB LYS A 29 -3.612 8.165 -5.314 1.00 0.00 C ATOM 418 CG LYS A 29 -3.291 9.657 -5.489 1.00 0.00 C ATOM 419 CD LYS A 29 -4.214 10.363 -6.480 1.00 0.00 C ATOM 420 CE LYS A 29 -5.672 10.399 -6.012 1.00 0.00 C ATOM 421 NZ LYS A 29 -6.521 11.167 -6.945 1.00 0.00 N ATOM 0 H LYS A 29 -3.754 5.787 -4.751 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.586 7.433 -5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.832 7.722 -6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.507 8.052 -4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.362 10.153 -4.521 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.260 9.762 -5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.862 11.383 -6.634 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.159 9.857 -7.444 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.053 9.381 -5.926 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.726 10.845 -5.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.502 11.172 -6.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.171 12.144 -7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.489 10.727 -7.887 1.00 0.00 H new ATOM 435 N VAL A 30 -2.698 7.912 -2.279 1.00 0.00 N ATOM 436 CA VAL A 30 -2.357 8.527 -1.008 1.00 0.00 C ATOM 437 C VAL A 30 -1.091 7.887 -0.427 1.00 0.00 C ATOM 438 O VAL A 30 -0.096 8.584 -0.220 1.00 0.00 O ATOM 439 CB VAL A 30 -3.586 8.422 -0.081 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.267 8.823 1.358 1.00 0.00 C ATOM 441 CG2 VAL A 30 -4.718 9.327 -0.601 1.00 0.00 C ATOM 0 H VAL A 30 -3.532 7.326 -2.247 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.118 9.584 -1.130 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.894 7.376 -0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.165 8.731 1.969 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.490 8.169 1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.918 9.855 1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.581 9.246 0.060 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.375 10.361 -0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.000 9.015 -1.607 1.00 0.00 H new ATOM 451 N PHE A 31 -1.072 6.564 -0.235 1.00 0.00 N ATOM 452 CA PHE A 31 0.080 5.891 0.350 1.00 0.00 C ATOM 453 C PHE A 31 1.380 6.017 -0.437 1.00 0.00 C ATOM 454 O PHE A 31 2.438 5.893 0.177 1.00 0.00 O ATOM 455 CB PHE A 31 -0.243 4.427 0.656 1.00 0.00 C ATOM 456 CG PHE A 31 -1.018 4.215 1.947 1.00 0.00 C ATOM 457 CD1 PHE A 31 -0.460 4.630 3.173 1.00 0.00 C ATOM 458 CD2 PHE A 31 -2.238 3.512 1.943 1.00 0.00 C ATOM 459 CE1 PHE A 31 -1.089 4.304 4.384 1.00 0.00 C ATOM 460 CE2 PHE A 31 -2.844 3.144 3.157 1.00 0.00 C ATOM 461 CZ PHE A 31 -2.257 3.527 4.376 1.00 0.00 C ATOM 0 H PHE A 31 -1.844 5.943 -0.478 1.00 0.00 H new ATOM 0 HA PHE A 31 0.274 6.425 1.280 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.819 4.013 -0.172 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.689 3.865 0.709 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.456 5.202 3.180 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.709 3.255 1.006 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.675 4.650 5.320 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.758 2.569 3.153 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.707 3.222 5.309 1.00 0.00 H new ATOM 471 N LYS A 32 1.356 6.290 -1.746 1.00 0.00 N ATOM 472 CA LYS A 32 2.586 6.434 -2.530 1.00 0.00 C ATOM 473 C LYS A 32 3.494 7.522 -1.945 1.00 0.00 C ATOM 474 O LYS A 32 4.711 7.388 -2.038 1.00 0.00 O ATOM 475 CB LYS A 32 2.237 6.646 -4.009 1.00 0.00 C ATOM 476 CG LYS A 32 3.480 6.655 -4.909 1.00 0.00 C ATOM 477 CD LYS A 32 3.099 6.981 -6.353 1.00 0.00 C ATOM 478 CE LYS A 32 4.340 6.861 -7.236 1.00 0.00 C ATOM 479 NZ LYS A 32 4.072 7.329 -8.606 1.00 0.00 N ATOM 0 H LYS A 32 0.499 6.415 -2.284 1.00 0.00 H new ATOM 0 HA LYS A 32 3.168 5.514 -2.472 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.561 5.856 -4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.704 7.590 -4.122 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.196 7.390 -4.542 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.972 5.683 -4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.323 6.299 -6.700 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.689 7.989 -6.415 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.154 7.443 -6.804 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.670 5.823 -7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.934 7.234 -9.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.312 6.757 -9.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.780 8.327 -8.581 1.00 0.00 H new ATOM 493 N GLN A 33 2.923 8.562 -1.321 1.00 0.00 N ATOM 494 CA GLN A 33 3.687 9.644 -0.710 1.00 0.00 C ATOM 495 C GLN A 33 4.652 9.037 0.315 1.00 0.00 C ATOM 496 O GLN A 33 5.871 9.190 0.219 1.00 0.00 O ATOM 497 CB GLN A 33 2.742 10.621 0.016 1.00 0.00 C ATOM 498 CG GLN A 33 1.748 11.393 -0.855 1.00 0.00 C ATOM 499 CD GLN A 33 0.989 12.399 0.006 1.00 0.00 C ATOM 500 OE1 GLN A 33 -0.112 12.139 0.499 1.00 0.00 O ATOM 501 NE2 GLN A 33 1.579 13.555 0.248 1.00 0.00 N ATOM 0 H GLN A 33 1.913 8.671 -1.229 1.00 0.00 H new ATOM 0 HA GLN A 33 4.232 10.185 -1.484 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.177 10.059 0.759 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.352 11.344 0.558 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.276 11.910 -1.657 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.049 10.702 -1.327 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.489 13.759 -0.165 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.125 14.244 0.848 1.00 0.00 H new ATOM 510 N TYR A 34 4.070 8.318 1.276 1.00 0.00 N ATOM 511 CA TYR A 34 4.719 7.636 2.379 1.00 0.00 C ATOM 512 C TYR A 34 5.633 6.517 1.900 1.00 0.00 C ATOM 513 O TYR A 34 6.744 6.410 2.409 1.00 0.00 O ATOM 514 CB TYR A 34 3.630 7.129 3.339 1.00 0.00 C ATOM 515 CG TYR A 34 3.888 5.801 4.024 1.00 0.00 C ATOM 516 CD1 TYR A 34 4.740 5.722 5.140 1.00 0.00 C ATOM 517 CD2 TYR A 34 3.274 4.637 3.526 1.00 0.00 C ATOM 518 CE1 TYR A 34 4.982 4.481 5.755 1.00 0.00 C ATOM 519 CE2 TYR A 34 3.496 3.400 4.148 1.00 0.00 C ATOM 520 CZ TYR A 34 4.358 3.313 5.264 1.00 0.00 C ATOM 521 OH TYR A 34 4.601 2.111 5.856 1.00 0.00 O ATOM 0 H TYR A 34 3.058 8.193 1.298 1.00 0.00 H new ATOM 0 HA TYR A 34 5.370 8.333 2.907 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.477 7.885 4.109 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.697 7.048 2.782 1.00 0.00 H new ATOM 0 HD1 TYR A 34 5.209 6.615 5.525 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.629 4.697 2.662 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.646 4.421 6.604 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.007 2.513 3.773 1.00 0.00 H new ATOM 0 HH TYR A 34 4.092 1.411 5.396 1.00 0.00 H new ATOM 531 N ALA A 35 5.209 5.710 0.922 1.00 0.00 N ATOM 532 CA ALA A 35 6.018 4.607 0.422 1.00 0.00 C ATOM 533 C ALA A 35 7.381 5.098 -0.070 1.00 0.00 C ATOM 534 O ALA A 35 8.420 4.664 0.438 1.00 0.00 O ATOM 535 CB ALA A 35 5.262 3.858 -0.680 1.00 0.00 C ATOM 0 H ALA A 35 4.304 5.806 0.462 1.00 0.00 H new ATOM 0 HA ALA A 35 6.204 3.914 1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.875 3.035 -1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.329 3.464 -0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.043 4.542 -1.500 1.00 0.00 H new ATOM 541 N ASN A 36 7.377 6.066 -0.990 1.00 0.00 N ATOM 542 CA ASN A 36 8.624 6.591 -1.526 1.00 0.00 C ATOM 543 C ASN A 36 9.387 7.409 -0.482 1.00 0.00 C ATOM 544 O ASN A 36 10.616 7.471 -0.523 1.00 0.00 O ATOM 545 CB ASN A 36 8.371 7.407 -2.793 1.00 0.00 C ATOM 546 CG ASN A 36 9.692 7.657 -3.505 1.00 0.00 C ATOM 547 OD1 ASN A 36 10.490 6.742 -3.686 1.00 0.00 O ATOM 548 ND2 ASN A 36 9.956 8.874 -3.945 1.00 0.00 N ATOM 0 H ASN A 36 6.534 6.494 -1.372 1.00 0.00 H new ATOM 0 HA ASN A 36 9.253 5.741 -1.792 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.686 6.874 -3.452 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.897 8.355 -2.540 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.829 9.059 -4.440 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.287 9.628 -3.790 1.00 0.00 H new ATOM 555 N ASP A 37 8.686 8.054 0.456 1.00 0.00 N ATOM 556 CA ASP A 37 9.337 8.836 1.508 1.00 0.00 C ATOM 557 C ASP A 37 10.098 7.887 2.434 1.00 0.00 C ATOM 558 O ASP A 37 11.170 8.235 2.921 1.00 0.00 O ATOM 559 CB ASP A 37 8.319 9.621 2.341 1.00 0.00 C ATOM 560 CG ASP A 37 8.998 10.511 3.386 1.00 0.00 C ATOM 561 OD1 ASP A 37 9.338 11.667 3.050 1.00 0.00 O ATOM 562 OD2 ASP A 37 9.101 10.104 4.572 1.00 0.00 O ATOM 0 H ASP A 37 7.667 8.049 0.507 1.00 0.00 H new ATOM 0 HA ASP A 37 10.013 9.546 1.032 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.709 10.238 1.681 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.645 8.925 2.840 1.00 0.00 H new ATOM 567 N ASN A 38 9.553 6.691 2.682 1.00 0.00 N ATOM 568 CA ASN A 38 10.148 5.680 3.547 1.00 0.00 C ATOM 569 C ASN A 38 11.287 4.923 2.861 1.00 0.00 C ATOM 570 O ASN A 38 12.152 4.382 3.553 1.00 0.00 O ATOM 571 CB ASN A 38 9.071 4.717 4.068 1.00 0.00 C ATOM 572 CG ASN A 38 9.478 4.050 5.377 1.00 0.00 C ATOM 573 OD1 ASN A 38 10.457 4.426 6.022 1.00 0.00 O ATOM 574 ND2 ASN A 38 8.716 3.071 5.832 1.00 0.00 N ATOM 0 H ASN A 38 8.665 6.397 2.275 1.00 0.00 H new ATOM 0 HA ASN A 38 10.590 6.198 4.398 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.139 5.263 4.215 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.877 3.951 3.317 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.938 2.623 6.721 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.906 2.763 5.294 1.00 0.00 H new ATOM 581 N GLY A 39 11.336 4.911 1.526 1.00 0.00 N ATOM 582 CA GLY A 39 12.383 4.245 0.755 1.00 0.00 C ATOM 583 C GLY A 39 11.925 2.960 0.068 1.00 0.00 C ATOM 584 O GLY A 39 12.749 2.063 -0.126 1.00 0.00 O ATOM 0 H GLY A 39 10.637 5.372 0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.759 4.935 -0.001 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.217 4.013 1.418 1.00 0.00 H new ATOM 588 N VAL A 40 10.637 2.834 -0.267 1.00 0.00 N ATOM 589 CA VAL A 40 10.101 1.657 -0.942 1.00 0.00 C ATOM 590 C VAL A 40 9.383 2.121 -2.204 1.00 0.00 C ATOM 591 O VAL A 40 8.511 2.998 -2.166 1.00 0.00 O ATOM 592 CB VAL A 40 9.192 0.821 -0.021 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.759 -0.487 -0.709 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.894 0.452 1.294 1.00 0.00 C ATOM 0 H VAL A 40 9.937 3.551 -0.075 1.00 0.00 H new ATOM 0 HA VAL A 40 10.917 0.988 -1.216 1.00 0.00 H new ATOM 0 HB VAL A 40 8.322 1.442 0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.118 -1.057 -0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.211 -0.254 -1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.641 -1.077 -0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.218 -0.137 1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.789 -0.131 1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.173 1.362 1.825 1.00 0.00 H new ATOM 604 N ASP A 41 9.760 1.543 -3.335 1.00 0.00 N ATOM 605 CA ASP A 41 9.194 1.840 -4.636 1.00 0.00 C ATOM 606 C ASP A 41 9.181 0.539 -5.424 1.00 0.00 C ATOM 607 O ASP A 41 10.206 0.106 -5.942 1.00 0.00 O ATOM 608 CB ASP A 41 9.993 2.952 -5.315 1.00 0.00 C ATOM 609 CG ASP A 41 9.201 3.461 -6.504 1.00 0.00 C ATOM 610 OD1 ASP A 41 8.083 3.970 -6.260 1.00 0.00 O ATOM 611 OD2 ASP A 41 9.694 3.388 -7.648 1.00 0.00 O ATOM 0 H ASP A 41 10.491 0.833 -3.370 1.00 0.00 H new ATOM 0 HA ASP A 41 8.173 2.215 -4.563 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.184 3.763 -4.613 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.963 2.576 -5.640 1.00 0.00 H new ATOM 616 N GLY A 42 8.024 -0.123 -5.461 1.00 0.00 N ATOM 617 CA GLY A 42 7.870 -1.397 -6.139 1.00 0.00 C ATOM 618 C GLY A 42 6.518 -1.577 -6.808 1.00 0.00 C ATOM 619 O GLY A 42 5.848 -0.613 -7.177 1.00 0.00 O ATOM 0 H GLY A 42 7.169 0.215 -5.019 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.653 -1.494 -6.891 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.018 -2.201 -5.419 1.00 0.00 H new ATOM 623 N GLU A 43 6.156 -2.839 -7.010 1.00 0.00 N ATOM 624 CA GLU A 43 4.941 -3.322 -7.641 1.00 0.00 C ATOM 625 C GLU A 43 3.749 -3.336 -6.671 1.00 0.00 C ATOM 626 O GLU A 43 3.661 -4.170 -5.763 1.00 0.00 O ATOM 627 CB GLU A 43 5.264 -4.708 -8.205 1.00 0.00 C ATOM 628 CG GLU A 43 4.191 -5.215 -9.166 1.00 0.00 C ATOM 629 CD GLU A 43 4.711 -6.471 -9.853 1.00 0.00 C ATOM 630 OE1 GLU A 43 5.353 -6.342 -10.925 1.00 0.00 O ATOM 631 OE2 GLU A 43 4.599 -7.564 -9.254 1.00 0.00 O ATOM 0 H GLU A 43 6.755 -3.609 -6.712 1.00 0.00 H new ATOM 0 HA GLU A 43 4.628 -2.653 -8.443 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.222 -4.671 -8.723 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.373 -5.415 -7.382 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.270 -5.433 -8.625 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.953 -4.450 -9.905 1.00 0.00 H new ATOM 638 N TRP A 44 2.834 -2.387 -6.865 1.00 0.00 N ATOM 639 CA TRP A 44 1.612 -2.184 -6.098 1.00 0.00 C ATOM 640 C TRP A 44 0.594 -3.256 -6.508 1.00 0.00 C ATOM 641 O TRP A 44 0.079 -3.215 -7.628 1.00 0.00 O ATOM 642 CB TRP A 44 1.087 -0.764 -6.389 1.00 0.00 C ATOM 643 CG TRP A 44 1.979 0.350 -5.925 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.135 0.739 -6.508 1.00 0.00 C ATOM 645 CD2 TRP A 44 1.818 1.217 -4.764 1.00 0.00 C ATOM 646 NE1 TRP A 44 3.723 1.737 -5.759 1.00 0.00 N ATOM 647 CE2 TRP A 44 2.981 2.031 -4.638 1.00 0.00 C ATOM 648 CE3 TRP A 44 0.811 1.387 -3.795 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.175 2.901 -3.556 1.00 0.00 C ATOM 650 CZ3 TRP A 44 0.979 2.279 -2.721 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.173 3.003 -2.578 1.00 0.00 C ATOM 0 H TRP A 44 2.936 -1.698 -7.610 1.00 0.00 H new ATOM 0 HA TRP A 44 1.792 -2.274 -5.027 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.934 -0.663 -7.463 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.112 -0.649 -5.916 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.538 0.330 -7.423 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.598 2.199 -6.005 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.106 0.823 -3.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.081 3.484 -3.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.184 2.408 -2.001 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.321 3.638 -1.717 1.00 0.00 H new ATOM 662 N THR A 45 0.281 -4.214 -5.634 1.00 0.00 N ATOM 663 CA THR A 45 -0.660 -5.303 -5.911 1.00 0.00 C ATOM 664 C THR A 45 -1.695 -5.387 -4.780 1.00 0.00 C ATOM 665 O THR A 45 -1.318 -5.444 -3.605 1.00 0.00 O ATOM 666 CB THR A 45 0.161 -6.588 -6.053 1.00 0.00 C ATOM 667 OG1 THR A 45 1.241 -6.404 -6.951 1.00 0.00 O ATOM 668 CG2 THR A 45 -0.661 -7.768 -6.552 1.00 0.00 C ATOM 0 H THR A 45 0.681 -4.256 -4.697 1.00 0.00 H new ATOM 0 HA THR A 45 -1.218 -5.136 -6.833 1.00 0.00 H new ATOM 0 HB THR A 45 0.523 -6.812 -5.050 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.751 -7.237 -7.024 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.023 -8.648 -6.632 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.471 -7.969 -5.851 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.078 -7.533 -7.531 1.00 0.00 H new ATOM 676 N TYR A 46 -2.989 -5.397 -5.117 1.00 0.00 N ATOM 677 CA TYR A 46 -4.108 -5.439 -4.178 1.00 0.00 C ATOM 678 C TYR A 46 -4.887 -6.754 -4.199 1.00 0.00 C ATOM 679 O TYR A 46 -4.949 -7.462 -5.206 1.00 0.00 O ATOM 680 CB TYR A 46 -5.040 -4.233 -4.378 1.00 0.00 C ATOM 681 CG TYR A 46 -5.848 -4.222 -5.660 1.00 0.00 C ATOM 682 CD1 TYR A 46 -7.023 -4.990 -5.742 1.00 0.00 C ATOM 683 CD2 TYR A 46 -5.425 -3.467 -6.774 1.00 0.00 C ATOM 684 CE1 TYR A 46 -7.735 -5.048 -6.947 1.00 0.00 C ATOM 685 CE2 TYR A 46 -6.154 -3.508 -7.979 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.302 -4.325 -8.074 1.00 0.00 C ATOM 687 OH TYR A 46 -7.991 -4.438 -9.240 1.00 0.00 O ATOM 0 H TYR A 46 -3.294 -5.375 -6.090 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.665 -5.380 -3.184 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.731 -4.190 -3.536 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.438 -3.325 -4.343 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -7.376 -5.534 -4.878 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.538 -2.855 -6.703 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.626 -5.654 -7.012 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.836 -2.918 -8.826 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.570 -3.877 -9.925 1.00 0.00 H new ATOM 697 N ASP A 47 -5.458 -7.096 -3.048 1.00 0.00 N ATOM 698 CA ASP A 47 -6.269 -8.279 -2.808 1.00 0.00 C ATOM 699 C ASP A 47 -7.492 -7.796 -2.038 1.00 0.00 C ATOM 700 O ASP A 47 -7.364 -7.347 -0.900 1.00 0.00 O ATOM 701 CB ASP A 47 -5.470 -9.312 -2.019 1.00 0.00 C ATOM 702 CG ASP A 47 -6.314 -10.557 -1.770 1.00 0.00 C ATOM 703 OD1 ASP A 47 -6.467 -11.374 -2.708 1.00 0.00 O ATOM 704 OD2 ASP A 47 -6.859 -10.711 -0.659 1.00 0.00 O ATOM 0 H ASP A 47 -5.360 -6.520 -2.212 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.570 -8.769 -3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.567 -9.580 -2.568 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.150 -8.885 -1.068 1.00 0.00 H new ATOM 709 N ASP A 48 -8.664 -7.731 -2.671 1.00 0.00 N ATOM 710 CA ASP A 48 -9.886 -7.274 -2.006 1.00 0.00 C ATOM 711 C ASP A 48 -10.412 -8.280 -0.987 1.00 0.00 C ATOM 712 O ASP A 48 -11.074 -7.851 -0.040 1.00 0.00 O ATOM 713 CB ASP A 48 -10.997 -6.874 -2.992 1.00 0.00 C ATOM 714 CG ASP A 48 -11.929 -8.002 -3.465 1.00 0.00 C ATOM 715 OD1 ASP A 48 -12.664 -8.574 -2.631 1.00 0.00 O ATOM 716 OD2 ASP A 48 -11.992 -8.252 -4.692 1.00 0.00 O ATOM 0 H ASP A 48 -8.793 -7.991 -3.649 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.592 -6.374 -1.466 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.606 -6.100 -2.525 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.530 -6.426 -3.869 1.00 0.00 H new ATOM 721 N ALA A 49 -10.116 -9.575 -1.137 1.00 0.00 N ATOM 722 CA ALA A 49 -10.579 -10.604 -0.213 1.00 0.00 C ATOM 723 C ALA A 49 -9.993 -10.374 1.183 1.00 0.00 C ATOM 724 O ALA A 49 -10.703 -10.467 2.186 1.00 0.00 O ATOM 725 CB ALA A 49 -10.223 -11.991 -0.751 1.00 0.00 C ATOM 0 H ALA A 49 -9.548 -9.935 -1.904 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.664 -10.545 -0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.573 -12.752 -0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.700 -12.139 -1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.142 -12.071 -0.863 1.00 0.00 H new ATOM 731 N THR A 50 -8.705 -10.051 1.258 1.00 0.00 N ATOM 732 CA THR A 50 -7.969 -9.786 2.490 1.00 0.00 C ATOM 733 C THR A 50 -7.845 -8.272 2.727 1.00 0.00 C ATOM 734 O THR A 50 -7.496 -7.862 3.835 1.00 0.00 O ATOM 735 CB THR A 50 -6.580 -10.460 2.414 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.646 -11.689 1.715 1.00 0.00 O ATOM 737 CG2 THR A 50 -5.977 -10.745 3.792 1.00 0.00 C ATOM 0 H THR A 50 -8.121 -9.963 0.426 1.00 0.00 H new ATOM 0 HA THR A 50 -8.513 -10.206 3.336 1.00 0.00 H new ATOM 0 HB THR A 50 -5.944 -9.747 1.889 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.606 -11.519 0.751 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.002 -11.218 3.672 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.861 -9.809 4.339 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.638 -11.411 4.348 1.00 0.00 H new ATOM 745 N LYS A 51 -8.230 -7.438 1.752 1.00 0.00 N ATOM 746 CA LYS A 51 -8.165 -5.974 1.768 1.00 0.00 C ATOM 747 C LYS A 51 -6.725 -5.486 1.954 1.00 0.00 C ATOM 748 O LYS A 51 -6.493 -4.439 2.558 1.00 0.00 O ATOM 749 CB LYS A 51 -9.164 -5.360 2.760 1.00 0.00 C ATOM 750 CG LYS A 51 -10.618 -5.654 2.383 1.00 0.00 C ATOM 751 CD LYS A 51 -11.570 -5.053 3.421 1.00 0.00 C ATOM 752 CE LYS A 51 -13.028 -4.998 2.948 1.00 0.00 C ATOM 753 NZ LYS A 51 -13.554 -6.291 2.464 1.00 0.00 N ATOM 0 H LYS A 51 -8.619 -7.791 0.878 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.482 -5.611 0.790 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.965 -5.749 3.759 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.014 -4.281 2.802 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.836 -5.241 1.398 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.773 -6.731 2.318 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.515 -5.640 4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.237 -4.045 3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.653 -4.649 3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.112 -4.262 2.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.561 -6.189 2.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.027 -6.585 1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.445 -7.010 3.207 1.00 0.00 H new ATOM 767 N THR A 52 -5.749 -6.251 1.488 1.00 0.00 N ATOM 768 CA THR A 52 -4.339 -5.928 1.578 1.00 0.00 C ATOM 769 C THR A 52 -3.902 -5.290 0.257 1.00 0.00 C ATOM 770 O THR A 52 -4.494 -5.523 -0.801 1.00 0.00 O ATOM 771 CB THR A 52 -3.561 -7.211 1.923 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.064 -8.302 1.184 1.00 0.00 O ATOM 773 CG2 THR A 52 -3.715 -7.575 3.403 1.00 0.00 C ATOM 0 H THR A 52 -5.926 -7.141 1.023 1.00 0.00 H new ATOM 0 HA THR A 52 -4.134 -5.207 2.369 1.00 0.00 H new ATOM 0 HB THR A 52 -2.515 -7.018 1.686 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.560 -9.111 1.411 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.154 -8.485 3.614 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.332 -6.762 4.019 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.769 -7.737 3.630 1.00 0.00 H new ATOM 781 N PHE A 53 -2.861 -4.465 0.320 1.00 0.00 N ATOM 782 CA PHE A 53 -2.277 -3.771 -0.807 1.00 0.00 C ATOM 783 C PHE A 53 -0.782 -3.755 -0.486 1.00 0.00 C ATOM 784 O PHE A 53 -0.298 -2.970 0.337 1.00 0.00 O ATOM 785 CB PHE A 53 -2.941 -2.393 -0.959 1.00 0.00 C ATOM 786 CG PHE A 53 -3.111 -1.878 -2.377 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.187 -2.182 -3.401 1.00 0.00 C ATOM 788 CD2 PHE A 53 -4.200 -1.032 -2.662 1.00 0.00 C ATOM 789 CE1 PHE A 53 -2.353 -1.642 -4.688 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.341 -0.470 -3.940 1.00 0.00 C ATOM 791 CZ PHE A 53 -3.423 -0.775 -4.957 1.00 0.00 C ATOM 0 H PHE A 53 -2.386 -4.258 1.199 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.432 -4.238 -1.780 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.924 -2.434 -0.490 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.352 -1.666 -0.400 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.350 -2.832 -3.194 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.929 -0.815 -1.895 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.655 -1.895 -5.472 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.162 0.202 -4.143 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.539 -0.345 -5.941 1.00 0.00 H new ATOM 801 N THR A 54 -0.035 -4.642 -1.130 1.00 0.00 N ATOM 802 CA THR A 54 1.393 -4.814 -0.924 1.00 0.00 C ATOM 803 C THR A 54 2.217 -4.152 -2.030 1.00 0.00 C ATOM 804 O THR A 54 1.841 -4.204 -3.202 1.00 0.00 O ATOM 805 CB THR A 54 1.688 -6.320 -0.795 1.00 0.00 C ATOM 806 OG1 THR A 54 0.763 -6.955 0.082 1.00 0.00 O ATOM 807 CG2 THR A 54 3.100 -6.595 -0.269 1.00 0.00 C ATOM 0 H THR A 54 -0.418 -5.278 -1.829 1.00 0.00 H new ATOM 0 HA THR A 54 1.691 -4.311 -0.004 1.00 0.00 H new ATOM 0 HB THR A 54 1.595 -6.726 -1.802 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.973 -7.910 0.143 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.258 -7.671 -0.196 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.833 -6.166 -0.952 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.215 -6.144 0.717 1.00 0.00 H new ATOM 815 N VAL A 55 3.292 -3.460 -1.647 1.00 0.00 N ATOM 816 CA VAL A 55 4.228 -2.795 -2.548 1.00 0.00 C ATOM 817 C VAL A 55 5.472 -3.677 -2.452 1.00 0.00 C ATOM 818 O VAL A 55 6.163 -3.607 -1.436 1.00 0.00 O ATOM 819 CB VAL A 55 4.502 -1.333 -2.127 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.358 -0.620 -3.186 1.00 0.00 C ATOM 821 CG2 VAL A 55 3.199 -0.550 -1.932 1.00 0.00 C ATOM 0 H VAL A 55 3.541 -3.345 -0.665 1.00 0.00 H new ATOM 0 HA VAL A 55 3.853 -2.702 -3.567 1.00 0.00 H new ATOM 0 HB VAL A 55 5.037 -1.366 -1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.541 0.408 -2.874 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.309 -1.141 -3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.831 -0.621 -4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.430 0.473 -1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.637 -0.540 -2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.601 -1.026 -1.155 1.00 0.00 H new ATOM 831 N THR A 56 5.692 -4.557 -3.430 1.00 0.00 N ATOM 832 CA THR A 56 6.831 -5.469 -3.448 1.00 0.00 C ATOM 833 C THR A 56 7.948 -4.893 -4.311 1.00 0.00 C ATOM 834 O THR A 56 7.728 -4.622 -5.492 1.00 0.00 O ATOM 835 CB THR A 56 6.368 -6.858 -3.904 1.00 0.00 C ATOM 836 OG1 THR A 56 5.441 -7.351 -2.950 1.00 0.00 O ATOM 837 CG2 THR A 56 7.506 -7.871 -4.030 1.00 0.00 C ATOM 0 H THR A 56 5.078 -4.656 -4.238 1.00 0.00 H new ATOM 0 HA THR A 56 7.243 -5.583 -2.445 1.00 0.00 H new ATOM 0 HB THR A 56 5.929 -6.741 -4.895 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.524 -8.325 -2.887 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.105 -8.830 -4.356 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.232 -7.514 -4.761 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.994 -7.992 -3.063 1.00 0.00 H new ATOM 845 N GLU A 57 9.133 -4.700 -3.731 1.00 0.00 N ATOM 846 CA GLU A 57 10.314 -4.166 -4.397 1.00 0.00 C ATOM 847 C GLU A 57 11.466 -5.143 -4.216 1.00 0.00 C ATOM 848 O GLU A 57 11.604 -5.708 -3.111 1.00 0.00 O ATOM 849 CB GLU A 57 10.646 -2.777 -3.828 1.00 0.00 C ATOM 850 CG GLU A 57 11.848 -2.150 -4.552 1.00 0.00 C ATOM 851 CD GLU A 57 12.248 -0.776 -4.009 1.00 0.00 C ATOM 852 OE1 GLU A 57 11.833 -0.398 -2.892 1.00 0.00 O ATOM 853 OE2 GLU A 57 13.128 -0.137 -4.635 1.00 0.00 O ATOM 0 H GLU A 57 9.299 -4.920 -2.749 1.00 0.00 H new ATOM 0 HA GLU A 57 10.130 -4.047 -5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.779 -2.124 -3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.863 -2.860 -2.763 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.701 -2.824 -4.472 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.614 -2.057 -5.612 1.00 0.00 H new TER 860 GLU A 57