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 50 THR OG1 : rot -67:sc= 0.543 USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= 0.542 USER MOD Single : A 1 MET CE :methyl -171:sc= -0.044 (180deg=-0.193) USER MOD Single : A 1 MET N :NH3+ 171:sc= 1.41 (180deg=1.33) USER MOD Single : A 3 THR OG1 : rot 23:sc= 1.24 USER MOD Single : A 4 TYR OH : rot -148:sc= 0.261 USER MOD Single : A 5 LYS NZ :NH3+ -176:sc= 1.07 (180deg=0.923) USER MOD Single : A 9 ASN : amide:sc= -0.838 K(o=-0.84,f=-3!) 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=-0.00567 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 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= -0.669 X(o=-0.67,f=-0.99) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.411 X(o=-0.41,f=-0.7) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -160:sc= 1.24 USER MOD Single : A 51 LYS NZ :NH3+ -155:sc= 1.25 (180deg=1.22) 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 -16.422 0.746 1.280 1.00 0.00 N ATOM 2 CA MET A 1 -16.016 -0.203 0.233 1.00 0.00 C ATOM 3 C MET A 1 -15.301 -1.402 0.840 1.00 0.00 C ATOM 4 O MET A 1 -15.810 -2.518 0.687 1.00 0.00 O ATOM 5 CB MET A 1 -15.206 0.466 -0.882 1.00 0.00 C ATOM 6 CG MET A 1 -14.790 -0.547 -1.954 1.00 0.00 C ATOM 7 SD MET A 1 -14.036 0.186 -3.424 1.00 0.00 S ATOM 8 CE MET A 1 -15.497 0.934 -4.175 1.00 0.00 C ATOM 0 H1 MET A 1 -16.769 1.622 0.839 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.179 0.325 1.856 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.606 0.963 1.887 1.00 0.00 H new ATOM 0 HA MET A 1 -16.922 -0.572 -0.247 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.798 1.259 -1.339 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.318 0.935 -0.458 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.087 -1.254 -1.514 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.668 -1.117 -2.257 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.249 1.295 -5.173 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.291 0.191 -4.245 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.835 1.769 -3.561 1.00 0.00 H new ATOM 18 N GLY A 2 -14.124 -1.238 1.463 1.00 0.00 N ATOM 19 CA GLY A 2 -13.447 -2.376 2.054 1.00 0.00 C ATOM 20 C GLY A 2 -12.170 -1.981 2.766 1.00 0.00 C ATOM 21 O GLY A 2 -11.806 -0.802 2.819 1.00 0.00 O ATOM 0 H GLY A 2 -13.640 -0.346 1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.117 -2.867 2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.216 -3.103 1.275 1.00 0.00 H new ATOM 25 N THR A 3 -11.532 -2.976 3.373 1.00 0.00 N ATOM 26 CA THR A 3 -10.270 -2.829 4.073 1.00 0.00 C ATOM 27 C THR A 3 -9.176 -3.078 3.040 1.00 0.00 C ATOM 28 O THR A 3 -9.384 -3.850 2.116 1.00 0.00 O ATOM 29 CB THR A 3 -10.191 -3.704 5.338 1.00 0.00 C ATOM 30 OG1 THR A 3 -8.955 -3.504 5.999 1.00 0.00 O ATOM 31 CG2 THR A 3 -10.362 -5.204 5.082 1.00 0.00 C ATOM 0 H THR A 3 -11.891 -3.930 3.390 1.00 0.00 H new ATOM 0 HA THR A 3 -10.148 -1.826 4.481 1.00 0.00 H new ATOM 0 HB THR A 3 -11.031 -3.384 5.955 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.588 -2.630 5.750 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.293 -5.744 6.026 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.337 -5.387 4.630 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.579 -5.550 4.408 1.00 0.00 H new ATOM 39 N TYR A 4 -8.047 -2.387 3.119 1.00 0.00 N ATOM 40 CA TYR A 4 -6.952 -2.547 2.181 1.00 0.00 C ATOM 41 C TYR A 4 -5.676 -2.694 2.994 1.00 0.00 C ATOM 42 O TYR A 4 -5.449 -1.891 3.909 1.00 0.00 O ATOM 43 CB TYR A 4 -6.949 -1.345 1.223 1.00 0.00 C ATOM 44 CG TYR A 4 -8.161 -1.313 0.298 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.138 -2.077 -0.885 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.332 -0.597 0.637 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.256 -2.117 -1.736 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.447 -0.621 -0.217 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.412 -1.376 -1.407 1.00 0.00 C ATOM 50 OH TYR A 4 -11.497 -1.374 -2.221 1.00 0.00 O ATOM 0 H TYR A 4 -7.867 -1.693 3.845 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.049 -3.436 1.557 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.920 -0.424 1.805 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.041 -1.370 0.621 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.252 -2.638 -1.141 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.369 -0.030 1.555 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.231 -2.712 -2.637 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.333 -0.060 0.039 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.946 -0.505 -2.165 1.00 0.00 H new ATOM 60 N LYS A 5 -4.837 -3.695 2.680 1.00 0.00 N ATOM 61 CA LYS A 5 -3.593 -3.887 3.425 1.00 0.00 C ATOM 62 C LYS A 5 -2.436 -3.313 2.593 1.00 0.00 C ATOM 63 O LYS A 5 -2.359 -3.539 1.392 1.00 0.00 O ATOM 64 CB LYS A 5 -3.466 -5.363 3.821 1.00 0.00 C ATOM 65 CG LYS A 5 -2.323 -5.582 4.811 1.00 0.00 C ATOM 66 CD LYS A 5 -2.277 -7.044 5.251 1.00 0.00 C ATOM 67 CE LYS A 5 -1.093 -7.333 6.177 1.00 0.00 C ATOM 68 NZ LYS A 5 -1.115 -6.538 7.422 1.00 0.00 N ATOM 0 H LYS A 5 -4.997 -4.368 1.931 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.576 -3.342 4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.402 -5.704 4.264 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.297 -5.967 2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.375 -5.304 4.350 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.457 -4.937 5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.206 -7.297 5.762 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.213 -7.684 4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.090 -8.393 6.431 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.165 -7.131 5.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.254 -6.730 7.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.157 -5.526 7.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.950 -6.797 7.985 1.00 0.00 H new ATOM 82 N LEU A 6 -1.547 -2.540 3.218 1.00 0.00 N ATOM 83 CA LEU A 6 -0.401 -1.866 2.603 1.00 0.00 C ATOM 84 C LEU A 6 0.929 -2.301 3.207 1.00 0.00 C ATOM 85 O LEU A 6 1.199 -1.973 4.348 1.00 0.00 O ATOM 86 CB LEU A 6 -0.540 -0.355 2.865 1.00 0.00 C ATOM 87 CG LEU A 6 -1.497 0.388 1.930 1.00 0.00 C ATOM 88 CD1 LEU A 6 -1.926 1.702 2.597 1.00 0.00 C ATOM 89 CD2 LEU A 6 -0.781 0.651 0.604 1.00 0.00 C ATOM 0 H LEU A 6 -1.610 -2.357 4.220 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.401 -2.119 1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.877 -0.211 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.446 0.102 2.786 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.389 -0.207 1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.608 2.239 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.428 1.485 3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.047 2.317 2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.452 1.180 -0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.106 1.258 0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.487 -0.298 0.155 1.00 0.00 H new ATOM 101 N ILE A 7 1.748 -3.045 2.488 1.00 0.00 N ATOM 102 CA ILE A 7 3.081 -3.533 2.869 1.00 0.00 C ATOM 103 C ILE A 7 4.107 -3.064 1.827 1.00 0.00 C ATOM 104 O ILE A 7 3.884 -3.197 0.621 1.00 0.00 O ATOM 105 CB ILE A 7 3.088 -5.065 3.105 1.00 0.00 C ATOM 106 CG1 ILE A 7 4.531 -5.561 3.367 1.00 0.00 C ATOM 107 CG2 ILE A 7 2.427 -5.843 1.953 1.00 0.00 C ATOM 108 CD1 ILE A 7 4.613 -6.983 3.931 1.00 0.00 C ATOM 0 H ILE A 7 1.489 -3.353 1.551 1.00 0.00 H new ATOM 0 HA ILE A 7 3.367 -3.104 3.829 1.00 0.00 H new ATOM 0 HB ILE A 7 2.485 -5.262 3.991 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.093 -5.519 2.434 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.018 -4.877 4.063 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.459 -6.911 2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.390 -5.525 1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.963 -5.645 1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.658 -7.253 4.086 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.082 -7.029 4.882 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.158 -7.680 3.227 1.00 0.00 H new ATOM 120 N LEU A 8 5.215 -2.500 2.311 1.00 0.00 N ATOM 121 CA LEU A 8 6.324 -1.971 1.536 1.00 0.00 C ATOM 122 C LEU A 8 7.588 -2.758 1.890 1.00 0.00 C ATOM 123 O LEU A 8 7.876 -2.943 3.076 1.00 0.00 O ATOM 124 CB LEU A 8 6.516 -0.473 1.855 1.00 0.00 C ATOM 125 CG LEU A 8 5.349 0.487 1.531 1.00 0.00 C ATOM 126 CD1 LEU A 8 4.857 0.318 0.089 1.00 0.00 C ATOM 127 CD2 LEU A 8 4.150 0.413 2.489 1.00 0.00 C ATOM 0 H LEU A 8 5.365 -2.397 3.315 1.00 0.00 H new ATOM 0 HA LEU A 8 6.119 -2.072 0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.739 -0.383 2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.396 -0.125 1.314 1.00 0.00 H new ATOM 0 HG LEU A 8 5.788 1.475 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.036 1.010 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.674 0.528 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.510 -0.705 -0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.388 1.125 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.734 -0.594 2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.477 0.655 3.500 1.00 0.00 H new ATOM 139 N ASN A 9 8.348 -3.186 0.877 1.00 0.00 N ATOM 140 CA ASN A 9 9.588 -3.947 1.009 1.00 0.00 C ATOM 141 C ASN A 9 10.686 -3.168 0.287 1.00 0.00 C ATOM 142 O ASN A 9 10.808 -3.234 -0.939 1.00 0.00 O ATOM 143 CB ASN A 9 9.463 -5.366 0.424 1.00 0.00 C ATOM 144 CG ASN A 9 8.308 -6.180 0.979 1.00 0.00 C ATOM 145 OD1 ASN A 9 8.426 -6.822 2.021 1.00 0.00 O ATOM 146 ND2 ASN A 9 7.191 -6.209 0.276 1.00 0.00 N ATOM 0 H ASN A 9 8.103 -3.003 -0.096 1.00 0.00 H new ATOM 0 HA ASN A 9 9.825 -4.070 2.066 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.350 -5.290 -0.657 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.392 -5.905 0.610 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.403 -6.772 0.594 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.116 -5.668 -0.585 1.00 0.00 H new ATOM 153 N GLY A 10 11.446 -2.369 1.028 1.00 0.00 N ATOM 154 CA GLY A 10 12.540 -1.559 0.513 1.00 0.00 C ATOM 155 C GLY A 10 13.879 -2.249 0.759 1.00 0.00 C ATOM 156 O GLY A 10 13.946 -3.291 1.413 1.00 0.00 O ATOM 0 H GLY A 10 11.312 -2.265 2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.403 -1.389 -0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.534 -0.581 0.995 1.00 0.00 H new ATOM 160 N LYS A 11 14.962 -1.653 0.264 1.00 0.00 N ATOM 161 CA LYS A 11 16.323 -2.174 0.413 1.00 0.00 C ATOM 162 C LYS A 11 16.739 -2.229 1.882 1.00 0.00 C ATOM 163 O LYS A 11 17.287 -3.224 2.362 1.00 0.00 O ATOM 164 CB LYS A 11 17.249 -1.239 -0.391 1.00 0.00 C ATOM 165 CG LYS A 11 18.748 -1.477 -0.174 1.00 0.00 C ATOM 166 CD LYS A 11 19.592 -0.558 -1.064 1.00 0.00 C ATOM 167 CE LYS A 11 21.079 -0.863 -0.861 1.00 0.00 C ATOM 168 NZ LYS A 11 21.933 -0.160 -1.841 1.00 0.00 N ATOM 0 H LYS A 11 14.920 -0.780 -0.261 1.00 0.00 H new ATOM 0 HA LYS A 11 16.385 -3.196 0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 11 17.027 -1.355 -1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 11 17.017 -0.207 -0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 11 18.998 -1.303 0.873 1.00 0.00 H new ATOM 0 HG3 LYS A 11 18.988 -2.518 -0.391 1.00 0.00 H new ATOM 0 HD2 LYS A 11 19.321 -0.701 -2.110 1.00 0.00 H new ATOM 0 HD3 LYS A 11 19.389 0.485 -0.822 1.00 0.00 H new ATOM 0 HE2 LYS A 11 21.373 -0.573 0.148 1.00 0.00 H new ATOM 0 HE3 LYS A 11 21.242 -1.937 -0.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 22.930 -0.396 -1.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 21.672 -0.455 -2.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 21.799 0.867 -1.745 1.00 0.00 H new ATOM 182 N THR A 12 16.530 -1.126 2.588 1.00 0.00 N ATOM 183 CA THR A 12 16.864 -0.964 3.997 1.00 0.00 C ATOM 184 C THR A 12 15.669 -0.576 4.875 1.00 0.00 C ATOM 185 O THR A 12 15.843 -0.392 6.081 1.00 0.00 O ATOM 186 CB THR A 12 18.099 -0.035 4.110 1.00 0.00 C ATOM 187 OG1 THR A 12 18.298 0.756 2.951 1.00 0.00 O ATOM 188 CG2 THR A 12 19.365 -0.884 4.222 1.00 0.00 C ATOM 0 H THR A 12 16.109 -0.291 2.182 1.00 0.00 H new ATOM 0 HA THR A 12 17.140 -1.931 4.416 1.00 0.00 H new ATOM 0 HB THR A 12 17.917 0.599 4.978 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.087 1.324 3.074 1.00 0.00 H new ATOM 0 HG21 THR A 12 20.235 -0.232 4.302 1.00 0.00 H new ATOM 0 HG22 THR A 12 19.303 -1.515 5.108 1.00 0.00 H new ATOM 0 HG23 THR A 12 19.462 -1.511 3.336 1.00 0.00 H new ATOM 196 N LEU A 13 14.462 -0.446 4.315 1.00 0.00 N ATOM 197 CA LEU A 13 13.251 -0.045 5.033 1.00 0.00 C ATOM 198 C LEU A 13 12.123 -1.034 4.769 1.00 0.00 C ATOM 199 O LEU A 13 11.894 -1.380 3.608 1.00 0.00 O ATOM 200 CB LEU A 13 12.803 1.330 4.500 1.00 0.00 C ATOM 201 CG LEU A 13 13.782 2.484 4.773 1.00 0.00 C ATOM 202 CD1 LEU A 13 13.599 3.584 3.722 1.00 0.00 C ATOM 203 CD2 LEU A 13 13.580 3.064 6.174 1.00 0.00 C ATOM 0 H LEU A 13 14.298 -0.622 3.324 1.00 0.00 H new ATOM 0 HA LEU A 13 13.467 -0.012 6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.647 1.253 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.839 1.579 4.944 1.00 0.00 H new ATOM 0 HG LEU A 13 14.796 2.088 4.713 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.296 4.398 3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.793 3.176 2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.578 3.962 3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.287 3.878 6.336 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.562 3.443 6.268 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.747 2.285 6.918 1.00 0.00 H new ATOM 215 N LYS A 14 11.395 -1.474 5.799 1.00 0.00 N ATOM 216 CA LYS A 14 10.268 -2.401 5.649 1.00 0.00 C ATOM 217 C LYS A 14 9.178 -1.993 6.628 1.00 0.00 C ATOM 218 O LYS A 14 9.472 -1.698 7.793 1.00 0.00 O ATOM 219 CB LYS A 14 10.731 -3.850 5.865 1.00 0.00 C ATOM 220 CG LYS A 14 9.620 -4.839 5.491 1.00 0.00 C ATOM 221 CD LYS A 14 10.065 -6.295 5.645 1.00 0.00 C ATOM 222 CE LYS A 14 8.897 -7.192 5.217 1.00 0.00 C ATOM 223 NZ LYS A 14 9.174 -8.631 5.409 1.00 0.00 N ATOM 0 H LYS A 14 11.571 -1.197 6.765 1.00 0.00 H new ATOM 0 HA LYS A 14 9.865 -2.352 4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.617 -4.047 5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.016 -3.994 6.907 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.749 -4.659 6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.311 -4.663 4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.943 -6.493 5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.346 -6.501 6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.009 -6.919 5.787 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.671 -7.008 4.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.350 -9.187 5.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.004 -8.903 4.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.363 -8.817 6.415 1.00 0.00 H new ATOM 237 N GLY A 15 7.927 -1.944 6.177 1.00 0.00 N ATOM 238 CA GLY A 15 6.808 -1.570 7.020 1.00 0.00 C ATOM 239 C GLY A 15 5.496 -2.002 6.386 1.00 0.00 C ATOM 240 O GLY A 15 5.428 -2.190 5.168 1.00 0.00 O ATOM 0 H GLY A 15 7.666 -2.164 5.216 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.914 -2.032 8.001 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.806 -0.491 7.174 1.00 0.00 H new ATOM 244 N GLU A 16 4.444 -2.164 7.193 1.00 0.00 N ATOM 245 CA GLU A 16 3.138 -2.563 6.699 1.00 0.00 C ATOM 246 C GLU A 16 2.017 -1.986 7.554 1.00 0.00 C ATOM 247 O GLU A 16 2.222 -1.664 8.722 1.00 0.00 O ATOM 248 CB GLU A 16 3.024 -4.096 6.610 1.00 0.00 C ATOM 249 CG GLU A 16 3.080 -4.841 7.953 1.00 0.00 C ATOM 250 CD GLU A 16 2.745 -6.322 7.769 1.00 0.00 C ATOM 251 OE1 GLU A 16 3.663 -7.118 7.462 1.00 0.00 O ATOM 252 OE2 GLU A 16 1.550 -6.673 7.933 1.00 0.00 O ATOM 0 H GLU A 16 4.481 -2.021 8.202 1.00 0.00 H new ATOM 0 HA GLU A 16 3.031 -2.155 5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.086 -4.345 6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.828 -4.467 5.975 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.074 -4.740 8.388 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.378 -4.389 8.654 1.00 0.00 H new ATOM 259 N THR A 17 0.814 -1.900 6.992 1.00 0.00 N ATOM 260 CA THR A 17 -0.364 -1.386 7.688 1.00 0.00 C ATOM 261 C THR A 17 -1.621 -1.979 7.042 1.00 0.00 C ATOM 262 O THR A 17 -1.548 -2.697 6.040 1.00 0.00 O ATOM 263 CB THR A 17 -0.331 0.169 7.729 1.00 0.00 C ATOM 264 OG1 THR A 17 -1.414 0.713 8.463 1.00 0.00 O ATOM 265 CG2 THR A 17 -0.380 0.822 6.348 1.00 0.00 C ATOM 0 H THR A 17 0.627 -2.188 6.031 1.00 0.00 H new ATOM 0 HA THR A 17 -0.372 -1.699 8.732 1.00 0.00 H new ATOM 0 HB THR A 17 0.623 0.389 8.209 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.351 1.691 8.463 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.353 1.906 6.457 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.478 0.495 5.760 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.300 0.531 5.840 1.00 0.00 H new ATOM 273 N THR A 18 -2.778 -1.749 7.649 1.00 0.00 N ATOM 274 CA THR A 18 -4.086 -2.184 7.195 1.00 0.00 C ATOM 275 C THR A 18 -5.019 -1.042 7.589 1.00 0.00 C ATOM 276 O THR A 18 -4.839 -0.427 8.645 1.00 0.00 O ATOM 277 CB THR A 18 -4.433 -3.580 7.749 1.00 0.00 C ATOM 278 OG1 THR A 18 -5.425 -4.204 6.954 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.851 -3.604 9.221 1.00 0.00 C ATOM 0 H THR A 18 -2.828 -1.223 8.522 1.00 0.00 H new ATOM 0 HA THR A 18 -4.161 -2.348 6.120 1.00 0.00 H new ATOM 0 HB THR A 18 -3.499 -4.140 7.698 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.630 -5.089 7.321 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.075 -4.628 9.519 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.039 -3.217 9.836 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.737 -2.984 9.358 1.00 0.00 H new ATOM 287 N THR A 19 -6.005 -0.736 6.755 1.00 0.00 N ATOM 288 CA THR A 19 -6.932 0.356 7.000 1.00 0.00 C ATOM 289 C THR A 19 -8.247 0.086 6.264 1.00 0.00 C ATOM 290 O THR A 19 -8.324 -0.883 5.505 1.00 0.00 O ATOM 291 CB THR A 19 -6.207 1.656 6.605 1.00 0.00 C ATOM 292 OG1 THR A 19 -6.899 2.784 7.087 1.00 0.00 O ATOM 293 CG2 THR A 19 -5.937 1.781 5.104 1.00 0.00 C ATOM 0 H THR A 19 -6.183 -1.242 5.887 1.00 0.00 H new ATOM 0 HA THR A 19 -7.221 0.453 8.047 1.00 0.00 H new ATOM 0 HB THR A 19 -5.228 1.608 7.081 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.420 3.598 6.826 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.424 2.722 4.904 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.312 0.950 4.776 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.882 1.760 4.561 1.00 0.00 H new ATOM 301 N GLU A 20 -9.314 0.831 6.557 1.00 0.00 N ATOM 302 CA GLU A 20 -10.623 0.684 5.925 1.00 0.00 C ATOM 303 C GLU A 20 -10.956 1.968 5.155 1.00 0.00 C ATOM 304 O GLU A 20 -10.594 3.056 5.613 1.00 0.00 O ATOM 305 CB GLU A 20 -11.645 0.275 7.001 1.00 0.00 C ATOM 306 CG GLU A 20 -12.933 -0.270 6.376 1.00 0.00 C ATOM 307 CD GLU A 20 -13.851 -1.007 7.362 1.00 0.00 C ATOM 308 OE1 GLU A 20 -14.026 -0.570 8.522 1.00 0.00 O ATOM 309 OE2 GLU A 20 -14.442 -2.029 6.936 1.00 0.00 O ATOM 0 H GLU A 20 -9.290 1.571 7.258 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.641 -0.111 5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.207 -0.482 7.651 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.879 1.136 7.627 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.486 0.558 5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.670 -0.949 5.565 1.00 0.00 H new ATOM 316 N ALA A 21 -11.622 1.858 3.995 1.00 0.00 N ATOM 317 CA ALA A 21 -11.992 2.996 3.156 1.00 0.00 C ATOM 318 C ALA A 21 -13.419 2.881 2.620 1.00 0.00 C ATOM 319 O ALA A 21 -13.879 1.803 2.219 1.00 0.00 O ATOM 320 CB ALA A 21 -11.038 3.079 1.956 1.00 0.00 C ATOM 0 H ALA A 21 -11.920 0.961 3.613 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.926 3.888 3.779 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.314 3.928 1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.016 3.208 2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.106 2.161 1.373 1.00 0.00 H new ATOM 326 N VAL A 22 -14.084 4.035 2.519 1.00 0.00 N ATOM 327 CA VAL A 22 -15.449 4.144 2.019 1.00 0.00 C ATOM 328 C VAL A 22 -15.471 3.875 0.510 1.00 0.00 C ATOM 329 O VAL A 22 -16.439 3.323 -0.007 1.00 0.00 O ATOM 330 CB VAL A 22 -16.064 5.510 2.394 1.00 0.00 C ATOM 331 CG1 VAL A 22 -16.099 5.693 3.919 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.337 6.717 1.775 1.00 0.00 C ATOM 0 H VAL A 22 -13.679 4.932 2.788 1.00 0.00 H new ATOM 0 HA VAL A 22 -16.074 3.388 2.494 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.072 5.488 1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -16.536 6.662 4.159 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -16.701 4.902 4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -15.085 5.644 4.315 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.830 7.638 2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.300 6.729 2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.365 6.640 0.688 1.00 0.00 H new ATOM 342 N ASP A 23 -14.399 4.212 -0.205 1.00 0.00 N ATOM 343 CA ASP A 23 -14.270 4.008 -1.640 1.00 0.00 C ATOM 344 C ASP A 23 -12.792 3.794 -1.954 1.00 0.00 C ATOM 345 O ASP A 23 -11.942 4.273 -1.193 1.00 0.00 O ATOM 346 CB ASP A 23 -14.797 5.259 -2.344 1.00 0.00 C ATOM 347 CG ASP A 23 -14.810 5.053 -3.851 1.00 0.00 C ATOM 348 OD1 ASP A 23 -14.023 5.736 -4.550 1.00 0.00 O ATOM 349 OD2 ASP A 23 -15.580 4.186 -4.303 1.00 0.00 O ATOM 0 H ASP A 23 -13.576 4.646 0.213 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.837 3.141 -1.979 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.804 5.485 -1.993 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.172 6.116 -2.093 1.00 0.00 H new ATOM 354 N ALA A 24 -12.459 3.161 -3.081 1.00 0.00 N ATOM 355 CA ALA A 24 -11.065 2.913 -3.418 1.00 0.00 C ATOM 356 C ALA A 24 -10.358 4.180 -3.882 1.00 0.00 C ATOM 357 O ALA A 24 -9.144 4.250 -3.720 1.00 0.00 O ATOM 358 CB ALA A 24 -10.932 1.770 -4.415 1.00 0.00 C ATOM 0 H ALA A 24 -13.131 2.816 -3.766 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.556 2.598 -2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.879 1.610 -4.646 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.351 0.861 -3.984 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.470 2.020 -5.329 1.00 0.00 H new ATOM 364 N ALA A 25 -11.054 5.211 -4.379 1.00 0.00 N ATOM 365 CA ALA A 25 -10.368 6.438 -4.782 1.00 0.00 C ATOM 366 C ALA A 25 -9.714 7.086 -3.552 1.00 0.00 C ATOM 367 O ALA A 25 -8.746 7.834 -3.678 1.00 0.00 O ATOM 368 CB ALA A 25 -11.311 7.412 -5.479 1.00 0.00 C ATOM 0 H ALA A 25 -12.066 5.219 -4.508 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.595 6.179 -5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.762 8.310 -5.762 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.724 6.943 -6.372 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.122 7.681 -4.802 1.00 0.00 H new ATOM 374 N THR A 26 -10.300 6.896 -2.363 1.00 0.00 N ATOM 375 CA THR A 26 -9.757 7.422 -1.116 1.00 0.00 C ATOM 376 C THR A 26 -8.484 6.625 -0.787 1.00 0.00 C ATOM 377 O THR A 26 -7.492 7.203 -0.333 1.00 0.00 O ATOM 378 CB THR A 26 -10.827 7.293 -0.019 1.00 0.00 C ATOM 379 OG1 THR A 26 -11.999 7.992 -0.411 1.00 0.00 O ATOM 380 CG2 THR A 26 -10.383 7.855 1.335 1.00 0.00 C ATOM 0 H THR A 26 -11.166 6.371 -2.244 1.00 0.00 H new ATOM 0 HA THR A 26 -9.494 8.477 -1.195 1.00 0.00 H new ATOM 0 HB THR A 26 -11.008 6.225 0.100 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.680 7.907 0.289 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.186 7.731 2.061 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.497 7.320 1.678 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.149 8.914 1.230 1.00 0.00 H new ATOM 388 N ALA A 27 -8.522 5.301 -0.998 1.00 0.00 N ATOM 389 CA ALA A 27 -7.407 4.403 -0.760 1.00 0.00 C ATOM 390 C ALA A 27 -6.249 4.794 -1.686 1.00 0.00 C ATOM 391 O ALA A 27 -5.150 5.047 -1.210 1.00 0.00 O ATOM 392 CB ALA A 27 -7.853 2.946 -0.967 1.00 0.00 C ATOM 0 H ALA A 27 -9.353 4.824 -1.347 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.061 4.487 0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.010 2.278 -0.787 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.659 2.710 -0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.207 2.816 -1.990 1.00 0.00 H new ATOM 398 N GLU A 28 -6.516 4.958 -2.986 1.00 0.00 N ATOM 399 CA GLU A 28 -5.534 5.331 -4.004 1.00 0.00 C ATOM 400 C GLU A 28 -4.799 6.612 -3.588 1.00 0.00 C ATOM 401 O GLU A 28 -3.578 6.709 -3.732 1.00 0.00 O ATOM 402 CB GLU A 28 -6.288 5.544 -5.333 1.00 0.00 C ATOM 403 CG GLU A 28 -5.392 5.972 -6.511 1.00 0.00 C ATOM 404 CD GLU A 28 -6.176 6.712 -7.593 1.00 0.00 C ATOM 405 OE1 GLU A 28 -6.344 6.182 -8.720 1.00 0.00 O ATOM 406 OE2 GLU A 28 -6.622 7.858 -7.334 1.00 0.00 O ATOM 0 H GLU A 28 -7.453 4.830 -3.369 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.788 4.545 -4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.800 4.619 -5.599 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.057 6.302 -5.183 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.591 6.613 -6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.920 5.091 -6.945 1.00 0.00 H new ATOM 413 N LYS A 29 -5.526 7.587 -3.031 1.00 0.00 N ATOM 414 CA LYS A 29 -4.915 8.835 -2.610 1.00 0.00 C ATOM 415 C LYS A 29 -3.974 8.635 -1.430 1.00 0.00 C ATOM 416 O LYS A 29 -2.854 9.157 -1.457 1.00 0.00 O ATOM 417 CB LYS A 29 -5.996 9.869 -2.298 1.00 0.00 C ATOM 418 CG LYS A 29 -5.369 11.261 -2.406 1.00 0.00 C ATOM 419 CD LYS A 29 -6.371 12.324 -1.994 1.00 0.00 C ATOM 420 CE LYS A 29 -5.821 13.700 -2.349 1.00 0.00 C ATOM 421 NZ LYS A 29 -6.779 14.765 -2.007 1.00 0.00 N ATOM 0 H LYS A 29 -6.531 7.529 -2.866 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.306 9.210 -3.433 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.828 9.771 -2.995 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.398 9.709 -1.297 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.485 11.319 -1.771 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.039 11.440 -3.429 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.322 12.159 -2.500 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.564 12.262 -0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.884 13.867 -1.818 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.595 13.740 -3.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.376 15.689 -2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.664 14.618 -2.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.975 14.741 -0.986 1.00 0.00 H new ATOM 435 N VAL A 30 -4.425 7.921 -0.391 1.00 0.00 N ATOM 436 CA VAL A 30 -3.585 7.681 0.774 1.00 0.00 C ATOM 437 C VAL A 30 -2.391 6.810 0.390 1.00 0.00 C ATOM 438 O VAL A 30 -1.308 7.055 0.902 1.00 0.00 O ATOM 439 CB VAL A 30 -4.378 7.185 2.010 1.00 0.00 C ATOM 440 CG1 VAL A 30 -4.661 5.676 2.056 1.00 0.00 C ATOM 441 CG2 VAL A 30 -3.622 7.550 3.302 1.00 0.00 C ATOM 0 H VAL A 30 -5.356 7.507 -0.339 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.181 8.637 1.109 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.342 7.687 1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.220 5.438 2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.246 5.389 1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.718 5.129 2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.186 7.198 4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.639 7.079 3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.505 8.632 3.362 1.00 0.00 H new ATOM 451 N PHE A 31 -2.532 5.869 -0.552 1.00 0.00 N ATOM 452 CA PHE A 31 -1.453 4.978 -0.965 1.00 0.00 C ATOM 453 C PHE A 31 -0.234 5.766 -1.428 1.00 0.00 C ATOM 454 O PHE A 31 0.881 5.435 -1.031 1.00 0.00 O ATOM 455 CB PHE A 31 -1.902 4.087 -2.138 1.00 0.00 C ATOM 456 CG PHE A 31 -2.936 3.003 -1.902 1.00 0.00 C ATOM 457 CD1 PHE A 31 -3.473 2.729 -0.630 1.00 0.00 C ATOM 458 CD2 PHE A 31 -3.347 2.233 -3.003 1.00 0.00 C ATOM 459 CE1 PHE A 31 -4.374 1.666 -0.454 1.00 0.00 C ATOM 460 CE2 PHE A 31 -4.260 1.181 -2.832 1.00 0.00 C ATOM 461 CZ PHE A 31 -4.759 0.884 -1.553 1.00 0.00 C ATOM 0 H PHE A 31 -3.407 5.707 -1.050 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.197 4.369 -0.098 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.290 4.744 -2.917 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.011 3.606 -2.542 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.191 3.339 0.215 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.958 2.452 -3.986 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.770 1.451 0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.579 0.599 -3.684 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.438 0.055 -1.416 1.00 0.00 H new ATOM 471 N LYS A 32 -0.424 6.824 -2.228 1.00 0.00 N ATOM 472 CA LYS A 32 0.700 7.620 -2.712 1.00 0.00 C ATOM 473 C LYS A 32 1.406 8.344 -1.573 1.00 0.00 C ATOM 474 O LYS A 32 2.622 8.226 -1.471 1.00 0.00 O ATOM 475 CB LYS A 32 0.196 8.609 -3.771 1.00 0.00 C ATOM 476 CG LYS A 32 1.304 9.544 -4.271 1.00 0.00 C ATOM 477 CD LYS A 32 0.786 10.371 -5.444 1.00 0.00 C ATOM 478 CE LYS A 32 1.873 11.320 -5.943 1.00 0.00 C ATOM 479 NZ LYS A 32 1.570 11.799 -7.304 1.00 0.00 N ATOM 0 H LYS A 32 -1.339 7.142 -2.548 1.00 0.00 H new ATOM 0 HA LYS A 32 1.436 6.954 -3.163 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.217 8.055 -4.614 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.616 9.203 -3.352 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.630 10.202 -3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.173 8.962 -4.579 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.471 9.711 -6.252 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.091 10.941 -5.137 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.959 12.169 -5.265 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.836 10.810 -5.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.323 12.442 -7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.511 10.988 -7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.661 12.305 -7.300 1.00 0.00 H new ATOM 493 N GLN A 33 0.659 9.049 -0.718 1.00 0.00 N ATOM 494 CA GLN A 33 1.268 9.782 0.382 1.00 0.00 C ATOM 495 C GLN A 33 1.926 8.823 1.366 1.00 0.00 C ATOM 496 O GLN A 33 3.116 8.954 1.612 1.00 0.00 O ATOM 497 CB GLN A 33 0.206 10.675 1.057 1.00 0.00 C ATOM 498 CG GLN A 33 0.627 11.328 2.395 1.00 0.00 C ATOM 499 CD GLN A 33 0.417 10.408 3.605 1.00 0.00 C ATOM 500 OE1 GLN A 33 1.363 9.916 4.211 1.00 0.00 O ATOM 501 NE2 GLN A 33 -0.831 10.114 3.944 1.00 0.00 N ATOM 0 H GLN A 33 -0.357 9.124 -0.770 1.00 0.00 H new ATOM 0 HA GLN A 33 2.057 10.430 -0.001 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.072 11.466 0.360 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.687 10.075 1.232 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.678 11.611 2.339 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.057 12.245 2.540 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.610 10.529 3.433 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.012 9.473 4.716 1.00 0.00 H new ATOM 510 N TYR A 34 1.193 7.813 1.824 1.00 0.00 N ATOM 511 CA TYR A 34 1.656 6.843 2.796 1.00 0.00 C ATOM 512 C TYR A 34 2.913 6.115 2.354 1.00 0.00 C ATOM 513 O TYR A 34 3.892 6.057 3.093 1.00 0.00 O ATOM 514 CB TYR A 34 0.531 5.848 3.106 1.00 0.00 C ATOM 515 CG TYR A 34 0.960 4.860 4.161 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.338 3.549 3.813 1.00 0.00 C ATOM 517 CD2 TYR A 34 1.108 5.314 5.479 1.00 0.00 C ATOM 518 CE1 TYR A 34 1.928 2.708 4.770 1.00 0.00 C ATOM 519 CE2 TYR A 34 1.688 4.479 6.444 1.00 0.00 C ATOM 520 CZ TYR A 34 2.133 3.183 6.089 1.00 0.00 C ATOM 521 OH TYR A 34 2.747 2.389 7.008 1.00 0.00 O ATOM 0 H TYR A 34 0.235 7.647 1.517 1.00 0.00 H new ATOM 0 HA TYR A 34 1.924 7.389 3.700 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.353 6.387 3.446 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.250 5.316 2.197 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.174 3.190 2.808 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.776 6.305 5.750 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.224 1.704 4.502 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.796 4.825 7.461 1.00 0.00 H new ATOM 0 HH TYR A 34 2.810 2.866 7.862 1.00 0.00 H new ATOM 531 N ALA A 35 2.886 5.525 1.161 1.00 0.00 N ATOM 532 CA ALA A 35 4.032 4.792 0.672 1.00 0.00 C ATOM 533 C ALA A 35 5.213 5.740 0.449 1.00 0.00 C ATOM 534 O ALA A 35 6.327 5.415 0.851 1.00 0.00 O ATOM 535 CB ALA A 35 3.620 4.015 -0.570 1.00 0.00 C ATOM 0 H ALA A 35 2.087 5.544 0.527 1.00 0.00 H new ATOM 0 HA ALA A 35 4.377 4.065 1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.475 3.457 -0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.818 3.322 -0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.271 4.709 -1.334 1.00 0.00 H new ATOM 541 N ASN A 36 5.001 6.918 -0.150 1.00 0.00 N ATOM 542 CA ASN A 36 6.096 7.863 -0.380 1.00 0.00 C ATOM 543 C ASN A 36 6.708 8.354 0.935 1.00 0.00 C ATOM 544 O ASN A 36 7.917 8.571 0.994 1.00 0.00 O ATOM 545 CB ASN A 36 5.626 9.040 -1.226 1.00 0.00 C ATOM 546 CG ASN A 36 6.786 9.984 -1.489 1.00 0.00 C ATOM 547 OD1 ASN A 36 6.862 11.054 -0.893 1.00 0.00 O ATOM 548 ND2 ASN A 36 7.702 9.635 -2.374 1.00 0.00 N ATOM 0 H ASN A 36 4.090 7.236 -0.481 1.00 0.00 H new ATOM 0 HA ASN A 36 6.875 7.332 -0.927 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.218 8.680 -2.170 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.824 9.570 -0.713 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.486 10.258 -2.570 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.626 8.742 -2.862 1.00 0.00 H new ATOM 555 N ASP A 37 5.901 8.492 1.989 1.00 0.00 N ATOM 556 CA ASP A 37 6.336 8.922 3.326 1.00 0.00 C ATOM 557 C ASP A 37 7.256 7.852 3.944 1.00 0.00 C ATOM 558 O ASP A 37 8.033 8.115 4.861 1.00 0.00 O ATOM 559 CB ASP A 37 5.099 9.146 4.209 1.00 0.00 C ATOM 560 CG ASP A 37 5.361 10.047 5.408 1.00 0.00 C ATOM 561 OD1 ASP A 37 5.572 11.261 5.194 1.00 0.00 O ATOM 562 OD2 ASP A 37 5.200 9.610 6.572 1.00 0.00 O ATOM 0 H ASP A 37 4.900 8.304 1.938 1.00 0.00 H new ATOM 0 HA ASP A 37 6.895 9.855 3.252 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.305 9.583 3.603 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.736 8.181 4.563 1.00 0.00 H new ATOM 567 N ASN A 38 7.175 6.628 3.406 1.00 0.00 N ATOM 568 CA ASN A 38 7.925 5.430 3.765 1.00 0.00 C ATOM 569 C ASN A 38 9.216 5.341 2.919 1.00 0.00 C ATOM 570 O ASN A 38 9.979 4.391 3.074 1.00 0.00 O ATOM 571 CB ASN A 38 7.007 4.201 3.556 1.00 0.00 C ATOM 572 CG ASN A 38 7.032 3.166 4.663 1.00 0.00 C ATOM 573 OD1 ASN A 38 7.960 3.091 5.458 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.008 2.327 4.730 1.00 0.00 N ATOM 0 H ASN A 38 6.525 6.441 2.643 1.00 0.00 H new ATOM 0 HA ASN A 38 8.232 5.464 4.810 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.982 4.552 3.435 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.289 3.714 2.622 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.986 1.606 5.451 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.242 2.402 4.060 1.00 0.00 H new ATOM 581 N GLY A 39 9.472 6.292 2.004 1.00 0.00 N ATOM 582 CA GLY A 39 10.655 6.366 1.138 1.00 0.00 C ATOM 583 C GLY A 39 10.747 5.283 0.058 1.00 0.00 C ATOM 584 O GLY A 39 11.845 4.826 -0.258 1.00 0.00 O ATOM 0 H GLY A 39 8.827 7.066 1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.668 7.342 0.652 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.546 6.309 1.763 1.00 0.00 H new ATOM 588 N VAL A 40 9.625 4.867 -0.516 1.00 0.00 N ATOM 589 CA VAL A 40 9.533 3.822 -1.539 1.00 0.00 C ATOM 590 C VAL A 40 9.792 4.257 -2.981 1.00 0.00 C ATOM 591 O VAL A 40 9.439 5.370 -3.377 1.00 0.00 O ATOM 592 CB VAL A 40 8.111 3.243 -1.520 1.00 0.00 C ATOM 593 CG1 VAL A 40 7.777 2.650 -0.153 1.00 0.00 C ATOM 594 CG2 VAL A 40 7.074 4.301 -1.943 1.00 0.00 C ATOM 0 H VAL A 40 8.716 5.261 -0.275 1.00 0.00 H new ATOM 0 HA VAL A 40 10.321 3.117 -1.274 1.00 0.00 H new ATOM 0 HB VAL A 40 8.070 2.434 -2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.764 2.247 -0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.481 1.851 0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.847 3.428 0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.076 3.862 -1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.115 5.146 -1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.296 4.645 -2.953 1.00 0.00 H new ATOM 604 N ASP A 41 10.424 3.380 -3.756 1.00 0.00 N ATOM 605 CA ASP A 41 10.697 3.565 -5.172 1.00 0.00 C ATOM 606 C ASP A 41 10.421 2.205 -5.828 1.00 0.00 C ATOM 607 O ASP A 41 11.339 1.400 -5.915 1.00 0.00 O ATOM 608 CB ASP A 41 12.109 4.113 -5.387 1.00 0.00 C ATOM 609 CG ASP A 41 12.319 4.547 -6.832 1.00 0.00 C ATOM 610 OD1 ASP A 41 13.433 4.342 -7.365 1.00 0.00 O ATOM 611 OD2 ASP A 41 11.410 5.182 -7.411 1.00 0.00 O ATOM 0 H ASP A 41 10.771 2.490 -3.399 1.00 0.00 H new ATOM 0 HA ASP A 41 10.060 4.317 -5.638 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.278 4.960 -4.722 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.842 3.350 -5.124 1.00 0.00 H new ATOM 616 N GLY A 42 9.173 1.868 -6.188 1.00 0.00 N ATOM 617 CA GLY A 42 8.876 0.564 -6.793 1.00 0.00 C ATOM 618 C GLY A 42 7.497 0.431 -7.452 1.00 0.00 C ATOM 619 O GLY A 42 6.708 1.379 -7.491 1.00 0.00 O ATOM 0 H GLY A 42 8.362 2.475 -6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.638 0.351 -7.543 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.964 -0.201 -6.022 1.00 0.00 H new ATOM 623 N GLU A 43 7.229 -0.774 -7.956 1.00 0.00 N ATOM 624 CA GLU A 43 6.039 -1.241 -8.672 1.00 0.00 C ATOM 625 C GLU A 43 5.066 -1.949 -7.723 1.00 0.00 C ATOM 626 O GLU A 43 5.474 -2.605 -6.760 1.00 0.00 O ATOM 627 CB GLU A 43 6.439 -2.133 -9.865 1.00 0.00 C ATOM 628 CG GLU A 43 7.612 -3.085 -9.573 1.00 0.00 C ATOM 629 CD GLU A 43 7.829 -4.122 -10.673 1.00 0.00 C ATOM 630 OE1 GLU A 43 6.914 -4.954 -10.872 1.00 0.00 O ATOM 631 OE2 GLU A 43 8.951 -4.257 -11.200 1.00 0.00 O ATOM 0 H GLU A 43 7.911 -1.527 -7.863 1.00 0.00 H new ATOM 0 HA GLU A 43 5.514 -0.374 -9.074 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.574 -2.722 -10.170 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.704 -1.496 -10.709 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.524 -2.501 -9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.430 -3.598 -8.629 1.00 0.00 H new ATOM 638 N TRP A 44 3.766 -1.836 -8.012 1.00 0.00 N ATOM 639 CA TRP A 44 2.664 -2.371 -7.218 1.00 0.00 C ATOM 640 C TRP A 44 1.833 -3.516 -7.810 1.00 0.00 C ATOM 641 O TRP A 44 1.292 -3.388 -8.911 1.00 0.00 O ATOM 642 CB TRP A 44 1.706 -1.192 -6.984 1.00 0.00 C ATOM 643 CG TRP A 44 2.218 -0.054 -6.157 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.322 0.680 -6.421 1.00 0.00 C ATOM 645 CD2 TRP A 44 1.674 0.491 -4.917 1.00 0.00 C ATOM 646 NE1 TRP A 44 3.534 1.575 -5.407 1.00 0.00 N ATOM 647 CE2 TRP A 44 2.526 1.539 -4.473 1.00 0.00 C ATOM 648 CE3 TRP A 44 0.550 0.213 -4.117 1.00 0.00 C ATOM 649 CZ2 TRP A 44 2.281 2.259 -3.298 1.00 0.00 C ATOM 650 CZ3 TRP A 44 0.289 0.923 -2.933 1.00 0.00 C ATOM 651 CH2 TRP A 44 1.159 1.944 -2.517 1.00 0.00 C ATOM 0 H TRP A 44 3.442 -1.345 -8.846 1.00 0.00 H new ATOM 0 HA TRP A 44 3.129 -2.810 -6.336 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.410 -0.798 -7.956 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.804 -1.578 -6.508 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.943 0.576 -7.299 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.343 2.194 -5.351 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.131 -0.568 -4.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.950 3.051 -2.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.582 0.683 -2.342 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.965 2.483 -1.602 1.00 0.00 H new ATOM 662 N THR A 45 1.603 -4.553 -7.001 1.00 0.00 N ATOM 663 CA THR A 45 0.798 -5.749 -7.271 1.00 0.00 C ATOM 664 C THR A 45 -0.301 -5.805 -6.191 1.00 0.00 C ATOM 665 O THR A 45 -0.147 -5.170 -5.136 1.00 0.00 O ATOM 666 CB THR A 45 1.659 -7.023 -7.254 1.00 0.00 C ATOM 667 OG1 THR A 45 2.633 -6.995 -6.226 1.00 0.00 O ATOM 668 CG2 THR A 45 2.350 -7.253 -8.590 1.00 0.00 C ATOM 0 H THR A 45 2.007 -4.581 -6.065 1.00 0.00 H new ATOM 0 HA THR A 45 0.358 -5.694 -8.267 1.00 0.00 H new ATOM 0 HB THR A 45 0.972 -7.847 -7.061 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.157 -7.823 -6.249 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.949 -8.162 -8.538 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.600 -7.356 -9.374 1.00 0.00 H new ATOM 0 HG23 THR A 45 2.997 -6.405 -8.816 1.00 0.00 H new ATOM 676 N TYR A 46 -1.393 -6.551 -6.401 1.00 0.00 N ATOM 677 CA TYR A 46 -2.498 -6.648 -5.450 1.00 0.00 C ATOM 678 C TYR A 46 -3.038 -8.072 -5.326 1.00 0.00 C ATOM 679 O TYR A 46 -3.056 -8.825 -6.297 1.00 0.00 O ATOM 680 CB TYR A 46 -3.606 -5.687 -5.907 1.00 0.00 C ATOM 681 CG TYR A 46 -4.946 -5.806 -5.203 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.109 -5.319 -3.895 1.00 0.00 C ATOM 683 CD2 TYR A 46 -6.046 -6.372 -5.880 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.380 -5.323 -3.296 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.317 -6.395 -5.280 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.493 -5.832 -3.998 1.00 0.00 C ATOM 687 OH TYR A 46 -8.729 -5.748 -3.437 1.00 0.00 O ATOM 0 H TYR A 46 -1.532 -7.108 -7.244 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.134 -6.374 -4.460 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.245 -4.666 -5.780 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.768 -5.838 -6.974 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.257 -4.941 -3.350 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.911 -6.791 -6.866 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.505 -4.935 -2.296 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.154 -6.841 -5.797 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.326 -6.398 -3.862 1.00 0.00 H new ATOM 697 N ASP A 47 -3.450 -8.446 -4.112 1.00 0.00 N ATOM 698 CA ASP A 47 -4.030 -9.742 -3.772 1.00 0.00 C ATOM 699 C ASP A 47 -5.342 -9.457 -3.033 1.00 0.00 C ATOM 700 O ASP A 47 -5.321 -9.021 -1.874 1.00 0.00 O ATOM 701 CB ASP A 47 -3.042 -10.611 -2.972 1.00 0.00 C ATOM 702 CG ASP A 47 -2.879 -11.991 -3.610 1.00 0.00 C ATOM 703 OD1 ASP A 47 -3.467 -12.969 -3.087 1.00 0.00 O ATOM 704 OD2 ASP A 47 -2.129 -12.090 -4.611 1.00 0.00 O ATOM 0 H ASP A 47 -3.384 -7.824 -3.306 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.242 -10.332 -4.663 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.073 -10.113 -2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.397 -10.721 -1.947 1.00 0.00 H new ATOM 709 N ASP A 48 -6.490 -9.686 -3.678 1.00 0.00 N ATOM 710 CA ASP A 48 -7.828 -9.439 -3.118 1.00 0.00 C ATOM 711 C ASP A 48 -8.155 -10.256 -1.865 1.00 0.00 C ATOM 712 O ASP A 48 -9.095 -9.935 -1.133 1.00 0.00 O ATOM 713 CB ASP A 48 -8.906 -9.683 -4.186 1.00 0.00 C ATOM 714 CG ASP A 48 -10.235 -9.030 -3.814 1.00 0.00 C ATOM 715 OD1 ASP A 48 -11.323 -9.635 -3.990 1.00 0.00 O ATOM 716 OD2 ASP A 48 -10.219 -7.840 -3.433 1.00 0.00 O ATOM 0 H ASP A 48 -6.518 -10.057 -4.628 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.821 -8.395 -2.806 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.564 -9.290 -5.143 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.052 -10.755 -4.316 1.00 0.00 H new ATOM 721 N ALA A 49 -7.332 -11.265 -1.567 1.00 0.00 N ATOM 722 CA ALA A 49 -7.477 -12.153 -0.429 1.00 0.00 C ATOM 723 C ALA A 49 -7.503 -11.363 0.885 1.00 0.00 C ATOM 724 O ALA A 49 -8.339 -11.644 1.745 1.00 0.00 O ATOM 725 CB ALA A 49 -6.320 -13.154 -0.449 1.00 0.00 C ATOM 0 H ALA A 49 -6.517 -11.487 -2.139 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.425 -12.687 -0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.411 -13.832 0.400 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.351 -13.727 -1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.373 -12.617 -0.385 1.00 0.00 H new ATOM 731 N THR A 50 -6.574 -10.427 1.075 1.00 0.00 N ATOM 732 CA THR A 50 -6.502 -9.572 2.270 1.00 0.00 C ATOM 733 C THR A 50 -6.438 -8.084 1.864 1.00 0.00 C ATOM 734 O THR A 50 -6.331 -7.205 2.723 1.00 0.00 O ATOM 735 CB THR A 50 -5.509 -10.105 3.348 1.00 0.00 C ATOM 736 OG1 THR A 50 -4.562 -9.159 3.800 1.00 0.00 O ATOM 737 CG2 THR A 50 -4.719 -11.359 2.951 1.00 0.00 C ATOM 0 H THR A 50 -5.837 -10.235 0.396 1.00 0.00 H new ATOM 0 HA THR A 50 -7.431 -9.632 2.837 1.00 0.00 H new ATOM 0 HB THR A 50 -6.206 -10.352 4.149 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.950 -8.934 3.069 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.058 -11.647 3.769 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.412 -12.174 2.740 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.125 -11.148 2.062 1.00 0.00 H new ATOM 745 N LYS A 51 -6.590 -7.797 0.560 1.00 0.00 N ATOM 746 CA LYS A 51 -6.586 -6.537 -0.140 1.00 0.00 C ATOM 747 C LYS A 51 -5.208 -5.903 -0.012 1.00 0.00 C ATOM 748 O LYS A 51 -5.075 -4.686 0.051 1.00 0.00 O ATOM 749 CB LYS A 51 -7.839 -5.739 0.248 1.00 0.00 C ATOM 750 CG LYS A 51 -9.116 -6.530 -0.117 1.00 0.00 C ATOM 751 CD LYS A 51 -10.413 -5.775 0.188 1.00 0.00 C ATOM 752 CE LYS A 51 -11.650 -6.528 -0.287 1.00 0.00 C ATOM 753 NZ LYS A 51 -11.816 -6.496 -1.749 1.00 0.00 N ATOM 0 H LYS A 51 -6.737 -8.560 -0.101 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.700 -6.619 -1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.827 -5.528 1.317 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.839 -4.778 -0.266 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.090 -6.776 -1.179 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.118 -7.473 0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.486 -5.603 1.262 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.381 -4.796 -0.290 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.587 -7.565 0.043 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.534 -6.097 0.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.820 -6.626 -1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.489 -5.579 -2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.256 -7.260 -2.179 1.00 0.00 H new ATOM 767 N THR A 52 -4.207 -6.777 0.040 1.00 0.00 N ATOM 768 CA THR A 52 -2.796 -6.540 0.181 1.00 0.00 C ATOM 769 C THR A 52 -2.171 -5.989 -1.084 1.00 0.00 C ATOM 770 O THR A 52 -2.244 -6.609 -2.143 1.00 0.00 O ATOM 771 CB THR A 52 -2.106 -7.868 0.542 1.00 0.00 C ATOM 772 OG1 THR A 52 -2.923 -8.656 1.382 1.00 0.00 O ATOM 773 CG2 THR A 52 -0.767 -7.634 1.245 1.00 0.00 C ATOM 0 H THR A 52 -4.400 -7.777 -0.024 1.00 0.00 H new ATOM 0 HA THR A 52 -2.661 -5.795 0.965 1.00 0.00 H new ATOM 0 HB THR A 52 -1.932 -8.392 -0.398 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.462 -9.494 1.595 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.309 -8.594 1.484 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.105 -7.070 0.588 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.932 -7.071 2.164 1.00 0.00 H new ATOM 781 N PHE A 53 -1.517 -4.847 -0.941 1.00 0.00 N ATOM 782 CA PHE A 53 -0.790 -4.145 -1.969 1.00 0.00 C ATOM 783 C PHE A 53 0.659 -4.385 -1.557 1.00 0.00 C ATOM 784 O PHE A 53 1.069 -3.953 -0.475 1.00 0.00 O ATOM 785 CB PHE A 53 -1.196 -2.666 -2.000 1.00 0.00 C ATOM 786 CG PHE A 53 -2.411 -2.416 -2.871 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.257 -2.311 -4.267 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.698 -2.337 -2.306 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.369 -2.091 -5.091 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.815 -2.136 -3.138 1.00 0.00 C ATOM 791 CZ PHE A 53 -4.651 -2.005 -4.529 1.00 0.00 C ATOM 0 H PHE A 53 -1.482 -4.361 -0.045 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.981 -4.483 -2.987 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.405 -2.329 -0.985 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.360 -2.071 -2.368 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.274 -2.401 -4.706 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.828 -2.430 -1.238 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.239 -1.988 -6.158 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.803 -2.082 -2.706 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.510 -1.839 -5.162 1.00 0.00 H new ATOM 801 N THR A 54 1.397 -5.175 -2.341 1.00 0.00 N ATOM 802 CA THR A 54 2.796 -5.497 -2.063 1.00 0.00 C ATOM 803 C THR A 54 3.689 -4.712 -3.034 1.00 0.00 C ATOM 804 O THR A 54 3.355 -4.584 -4.219 1.00 0.00 O ATOM 805 CB THR A 54 3.023 -7.025 -2.142 1.00 0.00 C ATOM 806 OG1 THR A 54 1.911 -7.751 -1.621 1.00 0.00 O ATOM 807 CG2 THR A 54 4.246 -7.465 -1.330 1.00 0.00 C ATOM 0 H THR A 54 1.038 -5.611 -3.190 1.00 0.00 H new ATOM 0 HA THR A 54 3.061 -5.199 -1.048 1.00 0.00 H new ATOM 0 HB THR A 54 3.167 -7.240 -3.201 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.088 -8.713 -1.688 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.369 -8.545 -1.413 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.136 -6.968 -1.715 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.104 -7.195 -0.283 1.00 0.00 H new ATOM 815 N VAL A 55 4.763 -4.111 -2.523 1.00 0.00 N ATOM 816 CA VAL A 55 5.743 -3.341 -3.279 1.00 0.00 C ATOM 817 C VAL A 55 7.118 -3.872 -2.903 1.00 0.00 C ATOM 818 O VAL A 55 7.375 -4.056 -1.709 1.00 0.00 O ATOM 819 CB VAL A 55 5.630 -1.843 -2.938 1.00 0.00 C ATOM 820 CG1 VAL A 55 6.833 -1.017 -3.427 1.00 0.00 C ATOM 821 CG2 VAL A 55 4.365 -1.244 -3.550 1.00 0.00 C ATOM 0 H VAL A 55 4.981 -4.151 -1.527 1.00 0.00 H new ATOM 0 HA VAL A 55 5.571 -3.444 -4.350 1.00 0.00 H new ATOM 0 HB VAL A 55 5.599 -1.792 -1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.691 0.029 -3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.745 -1.392 -2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.916 -1.102 -4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.305 -0.185 -3.297 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.396 -1.357 -4.634 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.490 -1.762 -3.156 1.00 0.00 H new ATOM 831 N THR A 56 7.964 -4.134 -3.895 1.00 0.00 N ATOM 832 CA THR A 56 9.324 -4.600 -3.709 1.00 0.00 C ATOM 833 C THR A 56 10.232 -3.675 -4.528 1.00 0.00 C ATOM 834 O THR A 56 10.221 -3.758 -5.758 1.00 0.00 O ATOM 835 CB THR A 56 9.443 -6.100 -4.026 1.00 0.00 C ATOM 836 OG1 THR A 56 8.503 -6.832 -3.245 1.00 0.00 O ATOM 837 CG2 THR A 56 10.848 -6.613 -3.704 1.00 0.00 C ATOM 0 H THR A 56 7.710 -4.023 -4.877 1.00 0.00 H new ATOM 0 HA THR A 56 9.646 -4.539 -2.669 1.00 0.00 H new ATOM 0 HB THR A 56 9.244 -6.239 -5.089 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.580 -7.787 -3.450 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.909 -7.676 -3.936 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.580 -6.069 -4.301 1.00 0.00 H new ATOM 0 HG23 THR A 56 11.057 -6.460 -2.645 1.00 0.00 H new ATOM 845 N GLU A 57 10.941 -2.770 -3.842 1.00 0.00 N ATOM 846 CA GLU A 57 11.889 -1.809 -4.421 1.00 0.00 C ATOM 847 C GLU A 57 12.925 -2.587 -5.226 1.00 0.00 C ATOM 848 O GLU A 57 13.236 -2.198 -6.373 1.00 0.00 O ATOM 849 CB GLU A 57 12.568 -1.029 -3.272 1.00 0.00 C ATOM 850 CG GLU A 57 13.648 -0.008 -3.683 1.00 0.00 C ATOM 851 CD GLU A 57 14.585 0.382 -2.521 1.00 0.00 C ATOM 852 OE1 GLU A 57 14.150 0.514 -1.354 1.00 0.00 O ATOM 853 OE2 GLU A 57 15.807 0.556 -2.762 1.00 0.00 O ATOM 0 H GLU A 57 10.867 -2.683 -2.828 1.00 0.00 H new ATOM 0 HA GLU A 57 11.381 -1.101 -5.076 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.795 -0.502 -2.713 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.020 -1.749 -2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.242 -0.424 -4.497 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.164 0.889 -4.068 1.00 0.00 H new TER 860 GLU A 57