USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=17 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 34 TYR OH : rot 180:sc= 0.00778 USER MOD Set 1.2: A 38 ASN : amide:sc= -0.153 X(o=-0.15,f=0.051) USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0385 (180deg=-0.0385) USER MOD Single : A 1 MET N :NH3+ 162:sc= 1.4 (180deg=1.09) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 179:sc= 1.17 USER MOD Single : A 5 LYS NZ :NH3+ -123:sc= 1.07 (180deg=-0.398) USER MOD Single : A 9 ASN : amide:sc= -0.33 K(o=-0.33,f=-5.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -150: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= -1.44 K(o=-1.4,f=-0.84) USER MOD Single : A 36 ASN : amide:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -166:sc= 1.2 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -178:sc= 1.3 (180deg=1.28) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.945 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.334 0.964 1.373 1.00 0.00 N ATOM 2 CA MET A 1 -15.946 -0.063 0.396 1.00 0.00 C ATOM 3 C MET A 1 -15.310 -1.240 1.113 1.00 0.00 C ATOM 4 O MET A 1 -15.927 -2.311 1.140 1.00 0.00 O ATOM 5 CB MET A 1 -15.065 0.487 -0.731 1.00 0.00 C ATOM 6 CG MET A 1 -14.583 -0.631 -1.665 1.00 0.00 C ATOM 7 SD MET A 1 -13.505 -0.081 -2.997 1.00 0.00 S ATOM 8 CE MET A 1 -14.728 0.601 -4.149 1.00 0.00 C ATOM 0 H1 MET A 1 -16.480 1.870 0.884 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.216 0.679 1.845 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.581 1.071 2.082 1.00 0.00 H new ATOM 0 HA MET A 1 -16.850 -0.413 -0.102 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.625 1.225 -1.305 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.204 1.001 -0.303 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.055 -1.379 -1.073 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.453 -1.124 -2.099 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.220 0.986 -5.033 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.426 -0.182 -4.444 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.274 1.410 -3.663 1.00 0.00 H new ATOM 18 N GLY A 2 -14.094 -1.103 1.660 1.00 0.00 N ATOM 19 CA GLY A 2 -13.475 -2.223 2.341 1.00 0.00 C ATOM 20 C GLY A 2 -12.074 -1.945 2.842 1.00 0.00 C ATOM 21 O GLY A 2 -11.547 -0.837 2.720 1.00 0.00 O ATOM 0 H GLY A 2 -13.540 -0.247 1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.101 -2.511 3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.444 -3.075 1.662 1.00 0.00 H new ATOM 25 N THR A 3 -11.528 -2.976 3.473 1.00 0.00 N ATOM 26 CA THR A 3 -10.202 -3.035 4.051 1.00 0.00 C ATOM 27 C THR A 3 -9.156 -3.059 2.942 1.00 0.00 C ATOM 28 O THR A 3 -9.443 -3.543 1.854 1.00 0.00 O ATOM 29 CB THR A 3 -10.076 -4.242 5.002 1.00 0.00 C ATOM 30 OG1 THR A 3 -8.783 -4.349 5.571 1.00 0.00 O ATOM 31 CG2 THR A 3 -10.370 -5.586 4.333 1.00 0.00 C ATOM 0 H THR A 3 -12.039 -3.850 3.600 1.00 0.00 H new ATOM 0 HA THR A 3 -10.027 -2.142 4.652 1.00 0.00 H new ATOM 0 HB THR A 3 -10.825 -4.041 5.768 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.751 -5.126 6.167 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.261 -6.388 5.064 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.389 -5.584 3.945 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.670 -5.745 3.513 1.00 0.00 H new ATOM 39 N TYR A 4 -7.997 -2.445 3.157 1.00 0.00 N ATOM 40 CA TYR A 4 -6.903 -2.455 2.204 1.00 0.00 C ATOM 41 C TYR A 4 -5.652 -2.657 3.054 1.00 0.00 C ATOM 42 O TYR A 4 -5.405 -1.872 3.981 1.00 0.00 O ATOM 43 CB TYR A 4 -6.894 -1.163 1.373 1.00 0.00 C ATOM 44 CG TYR A 4 -7.902 -1.185 0.233 1.00 0.00 C ATOM 45 CD1 TYR A 4 -7.623 -1.971 -0.901 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.127 -0.487 0.313 1.00 0.00 C ATOM 47 CE1 TYR A 4 -8.554 -2.071 -1.948 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.054 -0.558 -0.745 1.00 0.00 C ATOM 49 CZ TYR A 4 -9.771 -1.363 -1.871 1.00 0.00 C ATOM 50 OH TYR A 4 -10.660 -1.470 -2.894 1.00 0.00 O ATOM 0 H TYR A 4 -7.793 -1.922 4.009 1.00 0.00 H new ATOM 0 HA TYR A 4 -6.982 -3.247 1.459 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.109 -0.316 2.025 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.895 -1.006 0.965 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.685 -2.502 -0.967 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.354 0.103 1.188 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -8.339 -2.687 -2.808 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -10.977 0.000 -0.696 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.458 -0.939 -2.691 1.00 0.00 H new ATOM 60 N LYS A 5 -4.834 -3.665 2.725 1.00 0.00 N ATOM 61 CA LYS A 5 -3.607 -3.957 3.473 1.00 0.00 C ATOM 62 C LYS A 5 -2.445 -3.407 2.647 1.00 0.00 C ATOM 63 O LYS A 5 -2.339 -3.713 1.461 1.00 0.00 O ATOM 64 CB LYS A 5 -3.587 -5.462 3.786 1.00 0.00 C ATOM 65 CG LYS A 5 -2.503 -5.896 4.784 1.00 0.00 C ATOM 66 CD LYS A 5 -2.734 -7.364 5.182 1.00 0.00 C ATOM 67 CE LYS A 5 -1.544 -8.026 5.886 1.00 0.00 C ATOM 68 NZ LYS A 5 -1.205 -7.430 7.194 1.00 0.00 N ATOM 0 H LYS A 5 -5.002 -4.295 1.941 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.534 -3.474 4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.561 -5.750 4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.445 -6.011 2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.515 -5.780 4.338 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.531 -5.259 5.668 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.603 -7.417 5.837 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.975 -7.937 4.286 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.763 -9.084 6.028 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.672 -7.965 5.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.214 -7.115 7.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.826 -6.616 7.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.336 -8.139 7.943 1.00 0.00 H new ATOM 82 N LEU A 6 -1.575 -2.573 3.214 1.00 0.00 N ATOM 83 CA LEU A 6 -0.441 -1.940 2.530 1.00 0.00 C ATOM 84 C LEU A 6 0.904 -2.291 3.150 1.00 0.00 C ATOM 85 O LEU A 6 1.155 -1.904 4.280 1.00 0.00 O ATOM 86 CB LEU A 6 -0.608 -0.413 2.622 1.00 0.00 C ATOM 87 CG LEU A 6 -1.686 0.159 1.694 1.00 0.00 C ATOM 88 CD1 LEU A 6 -2.176 1.504 2.245 1.00 0.00 C ATOM 89 CD2 LEU A 6 -1.104 0.325 0.291 1.00 0.00 C ATOM 0 H LEU A 6 -1.640 -2.308 4.197 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.444 -2.304 1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.852 -0.147 3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.346 0.060 2.388 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.536 -0.522 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.942 1.910 1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.595 1.358 3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.339 2.201 2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.866 0.732 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.254 1.006 0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.776 -0.644 -0.084 1.00 0.00 H new ATOM 101 N ILE A 7 1.770 -2.987 2.424 1.00 0.00 N ATOM 102 CA ILE A 7 3.125 -3.403 2.793 1.00 0.00 C ATOM 103 C ILE A 7 4.117 -2.857 1.766 1.00 0.00 C ATOM 104 O ILE A 7 3.863 -2.903 0.556 1.00 0.00 O ATOM 105 CB ILE A 7 3.260 -4.937 2.978 1.00 0.00 C ATOM 106 CG1 ILE A 7 4.651 -5.284 3.561 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.073 -5.721 1.666 1.00 0.00 C ATOM 108 CD1 ILE A 7 4.745 -6.684 4.176 1.00 0.00 C ATOM 0 H ILE A 7 1.527 -3.303 1.485 1.00 0.00 H new ATOM 0 HA ILE A 7 3.355 -2.980 3.771 1.00 0.00 H new ATOM 0 HB ILE A 7 2.465 -5.231 3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.396 -5.197 2.770 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.907 -4.547 4.323 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.179 -6.788 1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.080 -5.523 1.262 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.827 -5.408 0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.752 -6.846 4.561 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.027 -6.772 4.991 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.523 -7.432 3.414 1.00 0.00 H new ATOM 120 N LEU A 8 5.195 -2.263 2.270 1.00 0.00 N ATOM 121 CA LEU A 8 6.297 -1.675 1.533 1.00 0.00 C ATOM 122 C LEU A 8 7.529 -2.476 1.946 1.00 0.00 C ATOM 123 O LEU A 8 7.747 -2.710 3.139 1.00 0.00 O ATOM 124 CB LEU A 8 6.442 -0.178 1.859 1.00 0.00 C ATOM 125 CG LEU A 8 5.303 0.752 1.389 1.00 0.00 C ATOM 126 CD1 LEU A 8 4.906 0.490 -0.068 1.00 0.00 C ATOM 127 CD2 LEU A 8 4.049 0.708 2.267 1.00 0.00 C ATOM 0 H LEU A 8 5.326 -2.177 3.278 1.00 0.00 H new ATOM 0 HA LEU A 8 6.143 -1.721 0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.541 -0.074 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.374 0.177 1.418 1.00 0.00 H new ATOM 0 HG LEU A 8 5.727 1.752 1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.102 1.168 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.767 0.656 -0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.566 -0.540 -0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.300 1.390 1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.648 -0.305 2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.306 1.008 3.283 1.00 0.00 H new ATOM 139 N ASN A 9 8.318 -2.903 0.961 1.00 0.00 N ATOM 140 CA ASN A 9 9.517 -3.708 1.146 1.00 0.00 C ATOM 141 C ASN A 9 10.708 -3.042 0.465 1.00 0.00 C ATOM 142 O ASN A 9 11.150 -3.487 -0.599 1.00 0.00 O ATOM 143 CB ASN A 9 9.276 -5.123 0.594 1.00 0.00 C ATOM 144 CG ASN A 9 8.080 -5.825 1.214 1.00 0.00 C ATOM 145 OD1 ASN A 9 8.196 -6.497 2.234 1.00 0.00 O ATOM 146 ND2 ASN A 9 6.913 -5.696 0.614 1.00 0.00 N ATOM 0 H ASN A 9 8.131 -2.689 -0.019 1.00 0.00 H new ATOM 0 HA ASN A 9 9.744 -3.787 2.209 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.132 -5.063 -0.485 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.168 -5.726 0.763 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.089 -6.159 0.997 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.835 -5.133 -0.233 1.00 0.00 H new ATOM 153 N GLY A 10 11.186 -1.942 1.038 1.00 0.00 N ATOM 154 CA GLY A 10 12.325 -1.205 0.522 1.00 0.00 C ATOM 155 C GLY A 10 13.629 -1.948 0.813 1.00 0.00 C ATOM 156 O GLY A 10 13.665 -2.951 1.532 1.00 0.00 O ATOM 0 H GLY A 10 10.786 -1.536 1.884 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.215 -1.062 -0.553 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.357 -0.214 0.974 1.00 0.00 H new ATOM 160 N LYS A 11 14.738 -1.432 0.284 1.00 0.00 N ATOM 161 CA LYS A 11 16.061 -2.022 0.472 1.00 0.00 C ATOM 162 C LYS A 11 16.460 -1.966 1.943 1.00 0.00 C ATOM 163 O LYS A 11 16.921 -2.971 2.487 1.00 0.00 O ATOM 164 CB LYS A 11 17.065 -1.270 -0.416 1.00 0.00 C ATOM 165 CG LYS A 11 18.508 -1.779 -0.281 1.00 0.00 C ATOM 166 CD LYS A 11 19.433 -0.908 -1.136 1.00 0.00 C ATOM 167 CE LYS A 11 20.898 -1.316 -0.968 1.00 0.00 C ATOM 168 NZ LYS A 11 21.758 -0.579 -1.914 1.00 0.00 N ATOM 0 H LYS A 11 14.743 -0.589 -0.290 1.00 0.00 H new ATOM 0 HA LYS A 11 16.051 -3.072 0.181 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.754 -1.358 -1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 11 17.038 -0.210 -0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 11 18.821 -1.747 0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 11 18.571 -2.819 -0.601 1.00 0.00 H new ATOM 0 HD2 LYS A 11 19.148 -0.993 -2.185 1.00 0.00 H new ATOM 0 HD3 LYS A 11 19.311 0.138 -0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 11 21.221 -1.118 0.054 1.00 0.00 H new ATOM 0 HE3 LYS A 11 21.003 -2.388 -1.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 22.748 -0.871 -1.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 21.461 -0.788 -2.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 21.672 0.442 -1.738 1.00 0.00 H new ATOM 182 N THR A 12 16.319 -0.801 2.578 1.00 0.00 N ATOM 183 CA THR A 12 16.662 -0.598 3.985 1.00 0.00 C ATOM 184 C THR A 12 15.483 -0.114 4.832 1.00 0.00 C ATOM 185 O THR A 12 15.664 0.195 6.010 1.00 0.00 O ATOM 186 CB THR A 12 17.899 0.309 4.091 1.00 0.00 C ATOM 187 OG1 THR A 12 17.677 1.554 3.448 1.00 0.00 O ATOM 188 CG2 THR A 12 19.112 -0.364 3.438 1.00 0.00 C ATOM 0 H THR A 12 15.959 0.038 2.123 1.00 0.00 H new ATOM 0 HA THR A 12 16.915 -1.567 4.414 1.00 0.00 H new ATOM 0 HB THR A 12 18.089 0.478 5.151 1.00 0.00 H new ATOM 0 HG1 THR A 12 18.478 2.113 3.531 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.980 0.290 3.521 1.00 0.00 H new ATOM 0 HG22 THR A 12 19.320 -1.308 3.942 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.900 -0.554 2.386 1.00 0.00 H new ATOM 196 N LEU A 13 14.282 -0.005 4.261 1.00 0.00 N ATOM 197 CA LEU A 13 13.079 0.464 4.941 1.00 0.00 C ATOM 198 C LEU A 13 11.980 -0.560 4.717 1.00 0.00 C ATOM 199 O LEU A 13 11.938 -1.172 3.652 1.00 0.00 O ATOM 200 CB LEU A 13 12.651 1.822 4.352 1.00 0.00 C ATOM 201 CG LEU A 13 13.681 2.954 4.525 1.00 0.00 C ATOM 202 CD1 LEU A 13 13.292 4.155 3.659 1.00 0.00 C ATOM 203 CD2 LEU A 13 13.808 3.391 5.988 1.00 0.00 C ATOM 0 H LEU A 13 14.118 -0.248 3.284 1.00 0.00 H new ATOM 0 HA LEU A 13 13.269 0.586 6.007 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.448 1.693 3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.715 2.127 4.820 1.00 0.00 H new ATOM 0 HG LEU A 13 14.649 2.568 4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.026 4.950 3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.263 3.854 2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.309 4.517 3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.544 4.191 6.066 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.843 3.750 6.346 1.00 0.00 H new ATOM 0 HD23 LEU A 13 14.127 2.543 6.594 1.00 0.00 H new ATOM 215 N LYS A 14 11.153 -0.816 5.729 1.00 0.00 N ATOM 216 CA LYS A 14 10.046 -1.762 5.625 1.00 0.00 C ATOM 217 C LYS A 14 8.862 -1.230 6.420 1.00 0.00 C ATOM 218 O LYS A 14 9.068 -0.566 7.443 1.00 0.00 O ATOM 219 CB LYS A 14 10.509 -3.154 6.099 1.00 0.00 C ATOM 220 CG LYS A 14 9.724 -4.256 5.381 1.00 0.00 C ATOM 221 CD LYS A 14 10.197 -5.661 5.765 1.00 0.00 C ATOM 222 CE LYS A 14 9.510 -6.650 4.817 1.00 0.00 C ATOM 223 NZ LYS A 14 9.760 -8.067 5.145 1.00 0.00 N ATOM 0 H LYS A 14 11.232 -0.373 6.644 1.00 0.00 H new ATOM 0 HA LYS A 14 9.723 -1.871 4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.575 -3.274 5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.369 -3.243 7.176 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.665 -4.156 5.618 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.824 -4.125 4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.281 -5.738 5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.942 -5.882 6.801 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.436 -6.468 4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.850 -6.458 3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.264 -8.674 4.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.781 -8.259 5.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.411 -8.268 6.104 1.00 0.00 H new ATOM 237 N GLY A 15 7.631 -1.546 6.044 1.00 0.00 N ATOM 238 CA GLY A 15 6.463 -1.087 6.779 1.00 0.00 C ATOM 239 C GLY A 15 5.232 -1.812 6.278 1.00 0.00 C ATOM 240 O GLY A 15 5.206 -2.208 5.114 1.00 0.00 O ATOM 0 H GLY A 15 7.416 -2.121 5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.597 -1.270 7.845 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.341 -0.011 6.653 1.00 0.00 H new ATOM 244 N GLU A 16 4.247 -2.059 7.141 1.00 0.00 N ATOM 245 CA GLU A 16 3.015 -2.721 6.749 1.00 0.00 C ATOM 246 C GLU A 16 1.846 -2.191 7.567 1.00 0.00 C ATOM 247 O GLU A 16 1.990 -1.898 8.758 1.00 0.00 O ATOM 248 CB GLU A 16 3.100 -4.257 6.764 1.00 0.00 C ATOM 249 CG GLU A 16 3.081 -4.967 8.125 1.00 0.00 C ATOM 250 CD GLU A 16 2.342 -6.300 8.004 1.00 0.00 C ATOM 251 OE1 GLU A 16 2.970 -7.353 7.755 1.00 0.00 O ATOM 252 OE2 GLU A 16 1.098 -6.314 8.168 1.00 0.00 O ATOM 0 H GLU A 16 4.286 -1.804 8.128 1.00 0.00 H new ATOM 0 HA GLU A 16 2.842 -2.472 5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.268 -4.643 6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.017 -4.546 6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.101 -5.136 8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.593 -4.336 8.868 1.00 0.00 H new ATOM 259 N THR A 17 0.667 -2.123 6.955 1.00 0.00 N ATOM 260 CA THR A 17 -0.511 -1.619 7.649 1.00 0.00 C ATOM 261 C THR A 17 -1.794 -2.144 7.007 1.00 0.00 C ATOM 262 O THR A 17 -1.772 -2.810 5.972 1.00 0.00 O ATOM 263 CB THR A 17 -0.409 -0.072 7.757 1.00 0.00 C ATOM 264 OG1 THR A 17 -1.597 0.511 8.249 1.00 0.00 O ATOM 265 CG2 THR A 17 -0.102 0.618 6.430 1.00 0.00 C ATOM 0 H THR A 17 0.504 -2.408 5.989 1.00 0.00 H new ATOM 0 HA THR A 17 -0.553 -1.997 8.671 1.00 0.00 H new ATOM 0 HB THR A 17 0.419 0.081 8.449 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.487 1.483 8.302 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.046 1.696 6.585 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.851 0.257 6.044 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.892 0.395 5.713 1.00 0.00 H new ATOM 273 N THR A 18 -2.916 -1.880 7.662 1.00 0.00 N ATOM 274 CA THR A 18 -4.269 -2.225 7.290 1.00 0.00 C ATOM 275 C THR A 18 -5.116 -1.010 7.697 1.00 0.00 C ATOM 276 O THR A 18 -4.736 -0.250 8.595 1.00 0.00 O ATOM 277 CB THR A 18 -4.655 -3.558 7.963 1.00 0.00 C ATOM 278 OG1 THR A 18 -5.663 -4.210 7.226 1.00 0.00 O ATOM 279 CG2 THR A 18 -5.103 -3.414 9.421 1.00 0.00 C ATOM 0 H THR A 18 -2.893 -1.373 8.547 1.00 0.00 H new ATOM 0 HA THR A 18 -4.418 -2.409 6.226 1.00 0.00 H new ATOM 0 HB THR A 18 -3.743 -4.154 7.972 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.895 -5.055 7.665 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.357 -4.395 9.822 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.294 -2.980 10.009 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.977 -2.764 9.471 1.00 0.00 H new ATOM 287 N THR A 19 -6.219 -0.786 6.999 1.00 0.00 N ATOM 288 CA THR A 19 -7.165 0.300 7.201 1.00 0.00 C ATOM 289 C THR A 19 -8.405 -0.071 6.387 1.00 0.00 C ATOM 290 O THR A 19 -8.360 -1.024 5.607 1.00 0.00 O ATOM 291 CB THR A 19 -6.537 1.642 6.759 1.00 0.00 C ATOM 292 OG1 THR A 19 -7.252 2.750 7.268 1.00 0.00 O ATOM 293 CG2 THR A 19 -6.438 1.811 5.238 1.00 0.00 C ATOM 0 H THR A 19 -6.494 -1.396 6.229 1.00 0.00 H new ATOM 0 HA THR A 19 -7.434 0.433 8.249 1.00 0.00 H new ATOM 0 HB THR A 19 -5.528 1.611 7.171 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.825 3.580 6.969 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.987 2.776 5.008 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.821 1.014 4.823 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.435 1.763 4.801 1.00 0.00 H new ATOM 301 N GLU A 20 -9.523 0.614 6.599 1.00 0.00 N ATOM 302 CA GLU A 20 -10.770 0.403 5.884 1.00 0.00 C ATOM 303 C GLU A 20 -11.137 1.761 5.294 1.00 0.00 C ATOM 304 O GLU A 20 -11.141 2.762 6.018 1.00 0.00 O ATOM 305 CB GLU A 20 -11.819 -0.202 6.822 1.00 0.00 C ATOM 306 CG GLU A 20 -13.157 -0.418 6.112 1.00 0.00 C ATOM 307 CD GLU A 20 -14.231 -0.902 7.081 1.00 0.00 C ATOM 308 OE1 GLU A 20 -14.630 -0.119 7.978 1.00 0.00 O ATOM 309 OE2 GLU A 20 -14.716 -2.044 6.902 1.00 0.00 O ATOM 0 H GLU A 20 -9.585 1.355 7.297 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.694 -0.321 5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.455 -1.154 7.209 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.964 0.456 7.679 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.478 0.514 5.647 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.032 -1.147 5.312 1.00 0.00 H new ATOM 316 N ALA A 21 -11.390 1.799 3.982 1.00 0.00 N ATOM 317 CA ALA A 21 -11.729 3.009 3.254 1.00 0.00 C ATOM 318 C ALA A 21 -13.128 2.940 2.647 1.00 0.00 C ATOM 319 O ALA A 21 -13.578 1.902 2.142 1.00 0.00 O ATOM 320 CB ALA A 21 -10.681 3.245 2.160 1.00 0.00 C ATOM 0 H ALA A 21 -11.362 0.968 3.391 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.730 3.843 3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.929 4.152 1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.697 3.355 2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.671 2.396 1.476 1.00 0.00 H new ATOM 326 N VAL A 22 -13.774 4.107 2.626 1.00 0.00 N ATOM 327 CA VAL A 22 -15.111 4.300 2.090 1.00 0.00 C ATOM 328 C VAL A 22 -15.143 3.965 0.598 1.00 0.00 C ATOM 329 O VAL A 22 -16.150 3.451 0.122 1.00 0.00 O ATOM 330 CB VAL A 22 -15.623 5.725 2.389 1.00 0.00 C ATOM 331 CG1 VAL A 22 -15.720 5.955 3.903 1.00 0.00 C ATOM 332 CG2 VAL A 22 -14.751 6.842 1.787 1.00 0.00 C ATOM 0 H VAL A 22 -13.364 4.966 2.994 1.00 0.00 H new ATOM 0 HA VAL A 22 -15.794 3.612 2.587 1.00 0.00 H new ATOM 0 HB VAL A 22 -16.604 5.781 1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -16.083 6.965 4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -16.411 5.233 4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.735 5.831 4.354 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.177 7.813 2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.741 6.772 2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.717 6.733 0.703 1.00 0.00 H new ATOM 342 N ASP A 23 -14.051 4.190 -0.137 1.00 0.00 N ATOM 343 CA ASP A 23 -13.978 3.900 -1.561 1.00 0.00 C ATOM 344 C ASP A 23 -12.530 3.644 -1.974 1.00 0.00 C ATOM 345 O ASP A 23 -11.608 4.065 -1.267 1.00 0.00 O ATOM 346 CB ASP A 23 -14.541 5.090 -2.342 1.00 0.00 C ATOM 347 CG ASP A 23 -14.781 4.655 -3.778 1.00 0.00 C ATOM 348 OD1 ASP A 23 -13.878 4.849 -4.618 1.00 0.00 O ATOM 349 OD2 ASP A 23 -15.811 3.984 -4.010 1.00 0.00 O ATOM 0 H ASP A 23 -13.191 4.581 0.247 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.563 3.007 -1.780 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.471 5.434 -1.890 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.844 5.927 -2.311 1.00 0.00 H new ATOM 354 N ALA A 24 -12.318 2.967 -3.105 1.00 0.00 N ATOM 355 CA ALA A 24 -10.995 2.670 -3.631 1.00 0.00 C ATOM 356 C ALA A 24 -10.260 3.974 -3.936 1.00 0.00 C ATOM 357 O ALA A 24 -9.058 4.042 -3.698 1.00 0.00 O ATOM 358 CB ALA A 24 -11.087 1.798 -4.886 1.00 0.00 C ATOM 0 H ALA A 24 -13.076 2.607 -3.685 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.437 2.112 -2.879 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.084 1.591 -5.259 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.584 0.860 -4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.658 2.322 -5.652 1.00 0.00 H new ATOM 364 N ALA A 25 -10.959 5.028 -4.376 1.00 0.00 N ATOM 365 CA ALA A 25 -10.331 6.308 -4.676 1.00 0.00 C ATOM 366 C ALA A 25 -9.708 6.906 -3.409 1.00 0.00 C ATOM 367 O ALA A 25 -8.698 7.605 -3.483 1.00 0.00 O ATOM 368 CB ALA A 25 -11.361 7.262 -5.280 1.00 0.00 C ATOM 0 H ALA A 25 -11.967 5.012 -4.531 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.534 6.153 -5.403 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.886 8.217 -5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.760 6.833 -6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.173 7.417 -4.570 1.00 0.00 H new ATOM 374 N THR A 26 -10.314 6.667 -2.242 1.00 0.00 N ATOM 375 CA THR A 26 -9.803 7.161 -0.968 1.00 0.00 C ATOM 376 C THR A 26 -8.518 6.393 -0.631 1.00 0.00 C ATOM 377 O THR A 26 -7.537 7.002 -0.188 1.00 0.00 O ATOM 378 CB THR A 26 -10.883 6.989 0.111 1.00 0.00 C ATOM 379 OG1 THR A 26 -12.042 7.727 -0.242 1.00 0.00 O ATOM 380 CG2 THR A 26 -10.431 7.458 1.496 1.00 0.00 C ATOM 0 H THR A 26 -11.174 6.124 -2.158 1.00 0.00 H new ATOM 0 HA THR A 26 -9.562 8.223 -1.022 1.00 0.00 H new ATOM 0 HB THR A 26 -11.090 5.920 0.164 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.505 8.017 0.571 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.239 7.310 2.212 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.559 6.883 1.808 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.172 8.516 1.455 1.00 0.00 H new ATOM 388 N ALA A 27 -8.533 5.069 -0.829 1.00 0.00 N ATOM 389 CA ALA A 27 -7.399 4.196 -0.573 1.00 0.00 C ATOM 390 C ALA A 27 -6.237 4.615 -1.483 1.00 0.00 C ATOM 391 O ALA A 27 -5.143 4.908 -1.013 1.00 0.00 O ATOM 392 CB ALA A 27 -7.820 2.737 -0.795 1.00 0.00 C ATOM 0 H ALA A 27 -9.353 4.573 -1.178 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.063 4.283 0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.971 2.080 -0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.634 2.486 -0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.154 2.607 -1.824 1.00 0.00 H new ATOM 398 N GLU A 28 -6.508 4.761 -2.778 1.00 0.00 N ATOM 399 CA GLU A 28 -5.571 5.143 -3.827 1.00 0.00 C ATOM 400 C GLU A 28 -4.840 6.447 -3.485 1.00 0.00 C ATOM 401 O GLU A 28 -3.663 6.597 -3.819 1.00 0.00 O ATOM 402 CB GLU A 28 -6.403 5.282 -5.112 1.00 0.00 C ATOM 403 CG GLU A 28 -5.646 5.754 -6.356 1.00 0.00 C ATOM 404 CD GLU A 28 -6.640 6.101 -7.465 1.00 0.00 C ATOM 405 OE1 GLU A 28 -6.773 5.314 -8.433 1.00 0.00 O ATOM 406 OE2 GLU A 28 -7.278 7.181 -7.386 1.00 0.00 O ATOM 0 H GLU A 28 -7.447 4.605 -3.144 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.789 4.393 -3.945 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.857 4.316 -5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.217 5.981 -4.920 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.038 6.626 -6.114 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.965 4.974 -6.696 1.00 0.00 H new ATOM 413 N LYS A 29 -5.508 7.388 -2.811 1.00 0.00 N ATOM 414 CA LYS A 29 -4.897 8.657 -2.437 1.00 0.00 C ATOM 415 C LYS A 29 -3.893 8.468 -1.302 1.00 0.00 C ATOM 416 O LYS A 29 -2.777 8.990 -1.387 1.00 0.00 O ATOM 417 CB LYS A 29 -5.996 9.660 -2.085 1.00 0.00 C ATOM 418 CG LYS A 29 -5.479 11.096 -2.221 1.00 0.00 C ATOM 419 CD LYS A 29 -6.646 12.076 -2.100 1.00 0.00 C ATOM 420 CE LYS A 29 -6.311 13.392 -2.809 1.00 0.00 C ATOM 421 NZ LYS A 29 -7.458 13.892 -3.592 1.00 0.00 N ATOM 0 H LYS A 29 -6.479 7.289 -2.514 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.332 9.055 -3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.854 9.513 -2.741 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.341 9.487 -1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.738 11.301 -1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.982 11.224 -3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.544 11.638 -2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.862 12.266 -1.049 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.019 14.140 -2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.456 13.244 -3.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.197 14.784 -4.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.720 13.188 -4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.266 14.057 -2.958 1.00 0.00 H new ATOM 435 N VAL A 30 -4.278 7.747 -0.239 1.00 0.00 N ATOM 436 CA VAL A 30 -3.383 7.491 0.887 1.00 0.00 C ATOM 437 C VAL A 30 -2.206 6.644 0.405 1.00 0.00 C ATOM 438 O VAL A 30 -1.097 6.871 0.878 1.00 0.00 O ATOM 439 CB VAL A 30 -4.089 6.933 2.149 1.00 0.00 C ATOM 440 CG1 VAL A 30 -4.708 5.543 2.006 1.00 0.00 C ATOM 441 CG2 VAL A 30 -3.139 6.894 3.349 1.00 0.00 C ATOM 0 H VAL A 30 -5.205 7.333 -0.140 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.997 8.448 1.239 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.909 7.635 2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.174 5.253 2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.461 5.560 1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.931 4.823 1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.666 6.498 4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.287 6.254 3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.787 7.902 3.567 1.00 0.00 H new ATOM 451 N PHE A 31 -2.399 5.751 -0.579 1.00 0.00 N ATOM 452 CA PHE A 31 -1.335 4.885 -1.080 1.00 0.00 C ATOM 453 C PHE A 31 -0.133 5.710 -1.528 1.00 0.00 C ATOM 454 O PHE A 31 0.988 5.352 -1.185 1.00 0.00 O ATOM 455 CB PHE A 31 -1.801 4.081 -2.313 1.00 0.00 C ATOM 456 CG PHE A 31 -2.814 2.957 -2.166 1.00 0.00 C ATOM 457 CD1 PHE A 31 -3.425 2.644 -0.938 1.00 0.00 C ATOM 458 CD2 PHE A 31 -3.135 2.197 -3.307 1.00 0.00 C ATOM 459 CE1 PHE A 31 -4.361 1.597 -0.856 1.00 0.00 C ATOM 460 CE2 PHE A 31 -4.064 1.147 -3.226 1.00 0.00 C ATOM 461 CZ PHE A 31 -4.685 0.853 -2.001 1.00 0.00 C ATOM 0 H PHE A 31 -3.296 5.614 -1.044 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.070 4.215 -0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.215 4.795 -3.025 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.910 3.653 -2.773 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.174 3.211 -0.053 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.663 2.423 -4.252 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.831 1.366 0.089 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.301 0.566 -4.105 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.411 0.056 -1.940 1.00 0.00 H new ATOM 471 N LYS A 32 -0.326 6.819 -2.254 1.00 0.00 N ATOM 472 CA LYS A 32 0.816 7.613 -2.699 1.00 0.00 C ATOM 473 C LYS A 32 1.561 8.258 -1.533 1.00 0.00 C ATOM 474 O LYS A 32 2.773 8.104 -1.441 1.00 0.00 O ATOM 475 CB LYS A 32 0.343 8.680 -3.700 1.00 0.00 C ATOM 476 CG LYS A 32 1.509 9.559 -4.183 1.00 0.00 C ATOM 477 CD LYS A 32 1.055 10.486 -5.308 1.00 0.00 C ATOM 478 CE LYS A 32 2.229 11.333 -5.799 1.00 0.00 C ATOM 479 NZ LYS A 32 1.953 11.895 -7.135 1.00 0.00 N ATOM 0 H LYS A 32 -1.238 7.176 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 32 1.521 6.941 -3.188 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.126 8.194 -4.556 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.417 9.307 -3.233 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.895 10.149 -3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.326 8.928 -4.532 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.651 9.899 -6.132 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.253 11.133 -4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.419 12.141 -5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.132 10.723 -5.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.765 12.466 -7.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.795 11.121 -7.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.105 12.495 -7.091 1.00 0.00 H new ATOM 493 N GLN A 33 0.852 8.933 -0.631 1.00 0.00 N ATOM 494 CA GLN A 33 1.482 9.614 0.493 1.00 0.00 C ATOM 495 C GLN A 33 2.102 8.648 1.506 1.00 0.00 C ATOM 496 O GLN A 33 3.273 8.814 1.832 1.00 0.00 O ATOM 497 CB GLN A 33 0.458 10.594 1.098 1.00 0.00 C ATOM 498 CG GLN A 33 0.838 11.202 2.465 1.00 0.00 C ATOM 499 CD GLN A 33 0.566 10.282 3.660 1.00 0.00 C ATOM 500 OE1 GLN A 33 1.360 10.152 4.584 1.00 0.00 O ATOM 501 NE2 GLN A 33 -0.568 9.600 3.659 1.00 0.00 N ATOM 0 H GLN A 33 -0.164 9.022 -0.659 1.00 0.00 H new ATOM 0 HA GLN A 33 2.340 10.187 0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.300 11.408 0.391 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.495 10.075 1.204 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.897 11.460 2.453 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.285 12.131 2.603 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.228 9.709 2.889 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.782 8.965 4.428 1.00 0.00 H new ATOM 510 N TYR A 34 1.367 7.638 1.977 1.00 0.00 N ATOM 511 CA TYR A 34 1.869 6.685 2.964 1.00 0.00 C ATOM 512 C TYR A 34 3.069 5.911 2.421 1.00 0.00 C ATOM 513 O TYR A 34 4.037 5.662 3.139 1.00 0.00 O ATOM 514 CB TYR A 34 0.739 5.735 3.399 1.00 0.00 C ATOM 515 CG TYR A 34 1.232 4.585 4.253 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.252 3.278 3.738 1.00 0.00 C ATOM 517 CD2 TYR A 34 1.797 4.846 5.512 1.00 0.00 C ATOM 518 CE1 TYR A 34 1.914 2.251 4.437 1.00 0.00 C ATOM 519 CE2 TYR A 34 2.451 3.823 6.218 1.00 0.00 C ATOM 520 CZ TYR A 34 2.546 2.525 5.674 1.00 0.00 C ATOM 521 OH TYR A 34 3.241 1.555 6.339 1.00 0.00 O ATOM 0 H TYR A 34 0.407 7.460 1.683 1.00 0.00 H new ATOM 0 HA TYR A 34 2.211 7.237 3.840 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.009 6.299 3.955 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.244 5.337 2.513 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.758 3.060 2.803 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.728 5.836 5.938 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.940 1.252 4.029 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.885 4.032 7.185 1.00 0.00 H new ATOM 0 HH TYR A 34 3.607 1.926 7.169 1.00 0.00 H new ATOM 531 N ALA A 35 3.014 5.503 1.152 1.00 0.00 N ATOM 532 CA ALA A 35 4.123 4.773 0.574 1.00 0.00 C ATOM 533 C ALA A 35 5.305 5.718 0.354 1.00 0.00 C ATOM 534 O ALA A 35 6.433 5.354 0.667 1.00 0.00 O ATOM 535 CB ALA A 35 3.671 4.099 -0.710 1.00 0.00 C ATOM 0 H ALA A 35 2.227 5.665 0.523 1.00 0.00 H new ATOM 0 HA ALA A 35 4.458 3.990 1.255 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.505 3.549 -1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.856 3.409 -0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.326 4.855 -1.416 1.00 0.00 H new ATOM 541 N ASN A 36 5.083 6.938 -0.148 1.00 0.00 N ATOM 542 CA ASN A 36 6.188 7.869 -0.363 1.00 0.00 C ATOM 543 C ASN A 36 6.871 8.225 0.961 1.00 0.00 C ATOM 544 O ASN A 36 8.088 8.381 0.983 1.00 0.00 O ATOM 545 CB ASN A 36 5.743 9.117 -1.122 1.00 0.00 C ATOM 546 CG ASN A 36 6.957 9.978 -1.417 1.00 0.00 C ATOM 547 OD1 ASN A 36 7.073 11.085 -0.903 1.00 0.00 O ATOM 548 ND2 ASN A 36 7.876 9.506 -2.246 1.00 0.00 N ATOM 0 H ASN A 36 4.164 7.296 -0.408 1.00 0.00 H new ATOM 0 HA ASN A 36 6.923 7.366 -0.991 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.247 8.835 -2.051 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.019 9.678 -0.531 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.699 10.066 -2.467 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.760 8.582 -2.663 1.00 0.00 H new ATOM 555 N ASP A 37 6.117 8.300 2.065 1.00 0.00 N ATOM 556 CA ASP A 37 6.645 8.589 3.406 1.00 0.00 C ATOM 557 C ASP A 37 7.577 7.446 3.851 1.00 0.00 C ATOM 558 O ASP A 37 8.499 7.646 4.638 1.00 0.00 O ATOM 559 CB ASP A 37 5.480 8.757 4.390 1.00 0.00 C ATOM 560 CG ASP A 37 5.943 8.984 5.831 1.00 0.00 C ATOM 561 OD1 ASP A 37 6.069 10.162 6.238 1.00 0.00 O ATOM 562 OD2 ASP A 37 6.059 8.001 6.603 1.00 0.00 O ATOM 0 H ASP A 37 5.107 8.159 2.052 1.00 0.00 H new ATOM 0 HA ASP A 37 7.219 9.515 3.386 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.864 9.599 4.075 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.849 7.869 4.352 1.00 0.00 H new ATOM 567 N ASN A 38 7.375 6.247 3.293 1.00 0.00 N ATOM 568 CA ASN A 38 8.147 5.030 3.535 1.00 0.00 C ATOM 569 C ASN A 38 9.415 5.026 2.648 1.00 0.00 C ATOM 570 O ASN A 38 10.161 4.049 2.679 1.00 0.00 O ATOM 571 CB ASN A 38 7.273 3.786 3.235 1.00 0.00 C ATOM 572 CG ASN A 38 6.919 2.917 4.430 1.00 0.00 C ATOM 573 OD1 ASN A 38 7.783 2.314 5.061 1.00 0.00 O ATOM 574 ND2 ASN A 38 5.631 2.755 4.700 1.00 0.00 N ATOM 0 H ASN A 38 6.623 6.095 2.621 1.00 0.00 H new ATOM 0 HA ASN A 38 8.453 4.999 4.581 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.347 4.121 2.768 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.794 3.168 2.503 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.342 2.120 5.444 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.929 3.266 4.164 1.00 0.00 H new ATOM 581 N GLY A 39 9.659 6.061 1.827 1.00 0.00 N ATOM 582 CA GLY A 39 10.824 6.201 0.948 1.00 0.00 C ATOM 583 C GLY A 39 10.901 5.160 -0.172 1.00 0.00 C ATOM 584 O GLY A 39 11.991 4.753 -0.567 1.00 0.00 O ATOM 0 H GLY A 39 9.021 6.854 1.757 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.810 7.196 0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.729 6.135 1.552 1.00 0.00 H new ATOM 588 N VAL A 40 9.762 4.764 -0.730 1.00 0.00 N ATOM 589 CA VAL A 40 9.633 3.748 -1.777 1.00 0.00 C ATOM 590 C VAL A 40 9.910 4.172 -3.220 1.00 0.00 C ATOM 591 O VAL A 40 9.557 5.278 -3.638 1.00 0.00 O ATOM 592 CB VAL A 40 8.165 3.282 -1.771 1.00 0.00 C ATOM 593 CG1 VAL A 40 7.778 2.675 -0.422 1.00 0.00 C ATOM 594 CG2 VAL A 40 7.201 4.429 -2.160 1.00 0.00 C ATOM 0 H VAL A 40 8.862 5.158 -0.455 1.00 0.00 H new ATOM 0 HA VAL A 40 10.392 3.006 -1.528 1.00 0.00 H new ATOM 0 HB VAL A 40 8.072 2.502 -2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.736 2.357 -0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.415 1.815 -0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.907 3.420 0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.175 4.063 -2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.304 5.248 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.444 4.785 -3.161 1.00 0.00 H new ATOM 604 N ASP A 41 10.557 3.292 -3.985 1.00 0.00 N ATOM 605 CA ASP A 41 10.827 3.481 -5.406 1.00 0.00 C ATOM 606 C ASP A 41 10.598 2.130 -6.100 1.00 0.00 C ATOM 607 O ASP A 41 11.556 1.528 -6.580 1.00 0.00 O ATOM 608 CB ASP A 41 12.200 4.112 -5.652 1.00 0.00 C ATOM 609 CG ASP A 41 12.346 4.563 -7.105 1.00 0.00 C ATOM 610 OD1 ASP A 41 13.473 4.579 -7.647 1.00 0.00 O ATOM 611 OD2 ASP A 41 11.348 5.000 -7.720 1.00 0.00 O ATOM 0 H ASP A 41 10.915 2.408 -3.623 1.00 0.00 H new ATOM 0 HA ASP A 41 10.143 4.207 -5.846 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.336 4.965 -4.988 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.983 3.393 -5.411 1.00 0.00 H new ATOM 616 N GLY A 42 9.354 1.620 -6.120 1.00 0.00 N ATOM 617 CA GLY A 42 9.040 0.320 -6.727 1.00 0.00 C ATOM 618 C GLY A 42 7.686 0.252 -7.437 1.00 0.00 C ATOM 619 O GLY A 42 7.008 1.268 -7.602 1.00 0.00 O ATOM 0 H GLY A 42 8.546 2.095 -5.719 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.823 0.071 -7.444 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.065 -0.443 -5.949 1.00 0.00 H new ATOM 623 N GLU A 43 7.318 -0.951 -7.874 1.00 0.00 N ATOM 624 CA GLU A 43 6.112 -1.348 -8.602 1.00 0.00 C ATOM 625 C GLU A 43 5.081 -1.973 -7.658 1.00 0.00 C ATOM 626 O GLU A 43 5.449 -2.572 -6.645 1.00 0.00 O ATOM 627 CB GLU A 43 6.458 -2.269 -9.781 1.00 0.00 C ATOM 628 CG GLU A 43 7.175 -3.573 -9.392 1.00 0.00 C ATOM 629 CD GLU A 43 7.222 -4.527 -10.585 1.00 0.00 C ATOM 630 OE1 GLU A 43 6.713 -5.664 -10.462 1.00 0.00 O ATOM 631 OE2 GLU A 43 7.656 -4.117 -11.687 1.00 0.00 O ATOM 0 H GLU A 43 7.921 -1.757 -7.710 1.00 0.00 H new ATOM 0 HA GLU A 43 5.655 -0.452 -9.023 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.538 -2.520 -10.310 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.088 -1.719 -10.481 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.187 -3.353 -9.054 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.656 -4.047 -8.559 1.00 0.00 H new ATOM 638 N TRP A 44 3.792 -1.829 -7.983 1.00 0.00 N ATOM 639 CA TRP A 44 2.675 -2.306 -7.176 1.00 0.00 C ATOM 640 C TRP A 44 1.901 -3.491 -7.751 1.00 0.00 C ATOM 641 O TRP A 44 1.408 -3.415 -8.880 1.00 0.00 O ATOM 642 CB TRP A 44 1.698 -1.132 -7.029 1.00 0.00 C ATOM 643 CG TRP A 44 2.214 0.058 -6.284 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.296 0.800 -6.611 1.00 0.00 C ATOM 645 CD2 TRP A 44 1.701 0.624 -5.046 1.00 0.00 C ATOM 646 NE1 TRP A 44 3.550 1.711 -5.617 1.00 0.00 N ATOM 647 CE2 TRP A 44 2.552 1.699 -4.658 1.00 0.00 C ATOM 648 CE3 TRP A 44 0.610 0.317 -4.206 1.00 0.00 C ATOM 649 CZ2 TRP A 44 2.313 2.441 -3.495 1.00 0.00 C ATOM 650 CZ3 TRP A 44 0.374 1.045 -3.028 1.00 0.00 C ATOM 651 CH2 TRP A 44 1.229 2.100 -2.668 1.00 0.00 C ATOM 0 H TRP A 44 3.493 -1.363 -8.840 1.00 0.00 H new ATOM 0 HA TRP A 44 3.100 -2.662 -6.237 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.395 -0.810 -8.025 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.801 -1.492 -6.524 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.873 0.692 -7.518 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.369 2.319 -5.588 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.055 -0.491 -4.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.956 3.269 -3.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.466 0.793 -2.398 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.053 2.649 -1.755 1.00 0.00 H new ATOM 662 N THR A 45 1.700 -4.525 -6.936 1.00 0.00 N ATOM 663 CA THR A 45 0.957 -5.743 -7.255 1.00 0.00 C ATOM 664 C THR A 45 -0.223 -5.836 -6.264 1.00 0.00 C ATOM 665 O THR A 45 -0.196 -5.160 -5.226 1.00 0.00 O ATOM 666 CB THR A 45 1.904 -6.955 -7.222 1.00 0.00 C ATOM 667 OG1 THR A 45 2.636 -7.000 -6.009 1.00 0.00 O ATOM 668 CG2 THR A 45 2.912 -6.924 -8.376 1.00 0.00 C ATOM 0 H THR A 45 2.070 -4.536 -5.986 1.00 0.00 H new ATOM 0 HA THR A 45 0.546 -5.726 -8.264 1.00 0.00 H new ATOM 0 HB THR A 45 1.270 -7.837 -7.314 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.229 -7.780 -6.013 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.561 -7.797 -8.315 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.378 -6.934 -9.326 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.515 -6.018 -8.308 1.00 0.00 H new ATOM 676 N TYR A 46 -1.234 -6.680 -6.522 1.00 0.00 N ATOM 677 CA TYR A 46 -2.408 -6.804 -5.654 1.00 0.00 C ATOM 678 C TYR A 46 -2.905 -8.237 -5.412 1.00 0.00 C ATOM 679 O TYR A 46 -2.858 -9.098 -6.296 1.00 0.00 O ATOM 680 CB TYR A 46 -3.535 -5.971 -6.281 1.00 0.00 C ATOM 681 CG TYR A 46 -4.815 -5.916 -5.466 1.00 0.00 C ATOM 682 CD1 TYR A 46 -4.796 -5.373 -4.170 1.00 0.00 C ATOM 683 CD2 TYR A 46 -6.023 -6.402 -5.997 1.00 0.00 C ATOM 684 CE1 TYR A 46 -5.979 -5.276 -3.423 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.218 -6.277 -5.267 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.200 -5.688 -3.986 1.00 0.00 C ATOM 687 OH TYR A 46 -8.346 -5.521 -3.279 1.00 0.00 O ATOM 0 H TYR A 46 -1.258 -7.293 -7.337 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.108 -6.447 -4.669 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.174 -4.954 -6.434 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.765 -6.379 -7.265 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.864 -5.028 -3.746 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.033 -6.873 -6.969 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.952 -4.885 -2.416 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.148 -6.631 -5.687 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.064 -6.045 -3.691 1.00 0.00 H new ATOM 697 N ASP A 47 -3.370 -8.487 -4.185 1.00 0.00 N ATOM 698 CA ASP A 47 -3.936 -9.726 -3.659 1.00 0.00 C ATOM 699 C ASP A 47 -5.277 -9.365 -3.015 1.00 0.00 C ATOM 700 O ASP A 47 -5.323 -8.915 -1.863 1.00 0.00 O ATOM 701 CB ASP A 47 -3.000 -10.404 -2.644 1.00 0.00 C ATOM 702 CG ASP A 47 -2.048 -11.430 -3.245 1.00 0.00 C ATOM 703 OD1 ASP A 47 -2.384 -12.101 -4.247 1.00 0.00 O ATOM 704 OD2 ASP A 47 -0.966 -11.648 -2.653 1.00 0.00 O ATOM 0 H ASP A 47 -3.357 -7.758 -3.471 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.071 -10.447 -4.466 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.414 -9.635 -2.141 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.606 -10.893 -1.881 1.00 0.00 H new ATOM 709 N ASP A 48 -6.385 -9.554 -3.733 1.00 0.00 N ATOM 710 CA ASP A 48 -7.734 -9.238 -3.247 1.00 0.00 C ATOM 711 C ASP A 48 -8.182 -10.111 -2.066 1.00 0.00 C ATOM 712 O ASP A 48 -9.170 -9.789 -1.403 1.00 0.00 O ATOM 713 CB ASP A 48 -8.755 -9.319 -4.390 1.00 0.00 C ATOM 714 CG ASP A 48 -10.063 -8.619 -4.020 1.00 0.00 C ATOM 715 OD1 ASP A 48 -11.149 -9.240 -4.123 1.00 0.00 O ATOM 716 OD2 ASP A 48 -10.043 -7.426 -3.646 1.00 0.00 O ATOM 0 H ASP A 48 -6.374 -9.935 -4.679 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.687 -8.216 -2.872 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.337 -8.862 -5.287 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.954 -10.364 -4.628 1.00 0.00 H new ATOM 721 N ALA A 49 -7.434 -11.178 -1.755 1.00 0.00 N ATOM 722 CA ALA A 49 -7.733 -12.102 -0.664 1.00 0.00 C ATOM 723 C ALA A 49 -7.834 -11.361 0.674 1.00 0.00 C ATOM 724 O ALA A 49 -8.718 -11.660 1.475 1.00 0.00 O ATOM 725 CB ALA A 49 -6.663 -13.199 -0.617 1.00 0.00 C ATOM 0 H ALA A 49 -6.588 -11.424 -2.268 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.702 -12.566 -0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.885 -13.889 0.197 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.657 -13.742 -1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.685 -12.747 -0.452 1.00 0.00 H new ATOM 731 N THR A 50 -6.959 -10.382 0.900 1.00 0.00 N ATOM 732 CA THR A 50 -6.913 -9.545 2.101 1.00 0.00 C ATOM 733 C THR A 50 -6.926 -8.052 1.706 1.00 0.00 C ATOM 734 O THR A 50 -7.229 -7.203 2.544 1.00 0.00 O ATOM 735 CB THR A 50 -5.780 -10.012 3.051 1.00 0.00 C ATOM 736 OG1 THR A 50 -5.399 -9.029 3.993 1.00 0.00 O ATOM 737 CG2 THR A 50 -4.528 -10.489 2.307 1.00 0.00 C ATOM 0 H THR A 50 -6.233 -10.140 0.225 1.00 0.00 H new ATOM 0 HA THR A 50 -7.813 -9.667 2.704 1.00 0.00 H new ATOM 0 HB THR A 50 -6.218 -10.856 3.583 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.684 -9.382 4.563 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.773 -10.802 3.028 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.786 -11.330 1.663 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.133 -9.675 1.699 1.00 0.00 H new ATOM 745 N LYS A 51 -6.759 -7.735 0.410 1.00 0.00 N ATOM 746 CA LYS A 51 -6.734 -6.448 -0.253 1.00 0.00 C ATOM 747 C LYS A 51 -5.337 -5.865 -0.081 1.00 0.00 C ATOM 748 O LYS A 51 -5.159 -4.670 0.133 1.00 0.00 O ATOM 749 CB LYS A 51 -7.960 -5.592 0.101 1.00 0.00 C ATOM 750 CG LYS A 51 -9.260 -6.374 -0.194 1.00 0.00 C ATOM 751 CD LYS A 51 -10.533 -5.551 0.019 1.00 0.00 C ATOM 752 CE LYS A 51 -11.758 -6.259 -0.553 1.00 0.00 C ATOM 753 NZ LYS A 51 -11.847 -6.155 -2.023 1.00 0.00 N ATOM 0 H LYS A 51 -6.622 -8.482 -0.271 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.871 -6.517 -1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.926 -5.313 1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.945 -4.667 -0.475 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.235 -6.728 -1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.296 -7.256 0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.679 -5.373 1.084 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.421 -4.576 -0.455 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.729 -7.311 -0.269 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.658 -5.834 -0.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.715 -6.624 -2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.869 -5.153 -2.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.020 -6.615 -2.454 1.00 0.00 H new ATOM 767 N THR A 52 -4.361 -6.769 -0.136 1.00 0.00 N ATOM 768 CA THR A 52 -2.942 -6.584 -0.007 1.00 0.00 C ATOM 769 C THR A 52 -2.359 -5.975 -1.269 1.00 0.00 C ATOM 770 O THR A 52 -2.419 -6.571 -2.339 1.00 0.00 O ATOM 771 CB THR A 52 -2.329 -7.965 0.312 1.00 0.00 C ATOM 772 OG1 THR A 52 -2.463 -8.177 1.698 1.00 0.00 O ATOM 773 CG2 THR A 52 -0.870 -8.215 -0.080 1.00 0.00 C ATOM 0 H THR A 52 -4.585 -7.752 -0.289 1.00 0.00 H new ATOM 0 HA THR A 52 -2.710 -5.885 0.796 1.00 0.00 H new ATOM 0 HB THR A 52 -2.883 -8.663 -0.315 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.084 -9.049 1.934 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.584 -9.227 0.208 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.758 -8.099 -1.158 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.228 -7.497 0.431 1.00 0.00 H new ATOM 781 N PHE A 53 -1.825 -4.770 -1.133 1.00 0.00 N ATOM 782 CA PHE A 53 -1.136 -4.031 -2.167 1.00 0.00 C ATOM 783 C PHE A 53 0.303 -4.223 -1.702 1.00 0.00 C ATOM 784 O PHE A 53 0.615 -3.935 -0.536 1.00 0.00 O ATOM 785 CB PHE A 53 -1.584 -2.571 -2.235 1.00 0.00 C ATOM 786 CG PHE A 53 -2.734 -2.379 -3.201 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.483 -2.359 -4.587 1.00 0.00 C ATOM 788 CD2 PHE A 53 -4.057 -2.296 -2.730 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.547 -2.240 -5.496 1.00 0.00 C ATOM 790 CE2 PHE A 53 -5.119 -2.168 -3.644 1.00 0.00 C ATOM 791 CZ PHE A 53 -4.867 -2.144 -5.026 1.00 0.00 C ATOM 0 H PHE A 53 -1.866 -4.260 -0.251 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.319 -4.364 -3.189 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.884 -2.236 -1.242 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.744 -1.947 -2.541 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.469 -2.435 -4.952 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.257 -2.330 -1.669 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.350 -2.222 -6.558 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.133 -2.088 -3.281 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.686 -2.052 -5.725 1.00 0.00 H new ATOM 801 N THR A 54 1.166 -4.728 -2.576 1.00 0.00 N ATOM 802 CA THR A 54 2.550 -5.007 -2.233 1.00 0.00 C ATOM 803 C THR A 54 3.530 -4.344 -3.186 1.00 0.00 C ATOM 804 O THR A 54 3.295 -4.296 -4.396 1.00 0.00 O ATOM 805 CB THR A 54 2.720 -6.532 -2.244 1.00 0.00 C ATOM 806 OG1 THR A 54 1.860 -7.126 -1.294 1.00 0.00 O ATOM 807 CG2 THR A 54 4.148 -6.940 -1.908 1.00 0.00 C ATOM 0 H THR A 54 0.924 -4.954 -3.541 1.00 0.00 H new ATOM 0 HA THR A 54 2.772 -4.594 -1.249 1.00 0.00 H new ATOM 0 HB THR A 54 2.476 -6.873 -3.250 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.976 -8.099 -1.311 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.230 -8.027 -1.926 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.831 -6.513 -2.643 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.407 -6.573 -0.915 1.00 0.00 H new ATOM 815 N VAL A 55 4.602 -3.800 -2.606 1.00 0.00 N ATOM 816 CA VAL A 55 5.694 -3.143 -3.298 1.00 0.00 C ATOM 817 C VAL A 55 7.023 -3.694 -2.798 1.00 0.00 C ATOM 818 O VAL A 55 7.203 -3.781 -1.579 1.00 0.00 O ATOM 819 CB VAL A 55 5.626 -1.626 -3.077 1.00 0.00 C ATOM 820 CG1 VAL A 55 6.835 -0.927 -3.725 1.00 0.00 C ATOM 821 CG2 VAL A 55 4.313 -1.057 -3.624 1.00 0.00 C ATOM 0 H VAL A 55 4.731 -3.810 -1.594 1.00 0.00 H new ATOM 0 HA VAL A 55 5.609 -3.339 -4.367 1.00 0.00 H new ATOM 0 HB VAL A 55 5.658 -1.436 -2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.767 0.148 -3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.755 -1.306 -3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.839 -1.127 -4.797 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.286 0.020 -3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.246 -1.260 -4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.472 -1.525 -3.112 1.00 0.00 H new ATOM 831 N THR A 56 7.919 -4.065 -3.708 1.00 0.00 N ATOM 832 CA THR A 56 9.260 -4.541 -3.418 1.00 0.00 C ATOM 833 C THR A 56 10.208 -3.702 -4.273 1.00 0.00 C ATOM 834 O THR A 56 10.005 -3.606 -5.486 1.00 0.00 O ATOM 835 CB THR A 56 9.401 -6.059 -3.605 1.00 0.00 C ATOM 836 OG1 THR A 56 8.773 -6.725 -2.528 1.00 0.00 O ATOM 837 CG2 THR A 56 10.862 -6.502 -3.616 1.00 0.00 C ATOM 0 H THR A 56 7.718 -4.040 -4.708 1.00 0.00 H new ATOM 0 HA THR A 56 9.512 -4.408 -2.366 1.00 0.00 H new ATOM 0 HB THR A 56 8.942 -6.307 -4.562 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.861 -7.694 -2.647 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.914 -7.582 -3.751 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.386 -6.009 -4.435 1.00 0.00 H new ATOM 0 HG23 THR A 56 11.331 -6.231 -2.670 1.00 0.00 H new ATOM 845 N GLU A 57 11.157 -3.029 -3.623 1.00 0.00 N ATOM 846 CA GLU A 57 12.169 -2.205 -4.269 1.00 0.00 C ATOM 847 C GLU A 57 13.147 -3.177 -4.913 1.00 0.00 C ATOM 848 O GLU A 57 13.391 -3.095 -6.132 1.00 0.00 O ATOM 849 CB GLU A 57 12.833 -1.313 -3.202 1.00 0.00 C ATOM 850 CG GLU A 57 13.889 -0.331 -3.740 1.00 0.00 C ATOM 851 CD GLU A 57 14.653 0.403 -2.619 1.00 0.00 C ATOM 852 OE1 GLU A 57 14.112 0.604 -1.507 1.00 0.00 O ATOM 853 OE2 GLU A 57 15.845 0.735 -2.828 1.00 0.00 O ATOM 0 H GLU A 57 11.242 -3.045 -2.607 1.00 0.00 H new ATOM 0 HA GLU A 57 11.765 -1.537 -5.030 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.056 -0.744 -2.691 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.302 -1.954 -2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.600 -0.875 -4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.402 0.403 -4.381 1.00 0.00 H new