USER MOD reduce.3.24.130724 H: found=0, std=0, add=302, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 303 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 95 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.103) USER MOD Single : A 96 TYR OH : rot 180:sc= -0.0525 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot -159:sc= 1.08 USER MOD Single : A 102 ASN : amide:sc= -0.035 X(o=-0.035,f=0.085) USER MOD Single : A 105 THR OG1 : rot -58:sc= 0.608 USER MOD Single : A 106 LYS NZ :NH3+ -172:sc= 1.28 (180deg=1.16) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.00611 USER MOD Single : A 109 THR OG1 : rot 73:sc= 0.752 USER MOD Single : A 111 GLN : amide:sc= -1.33 K(o=-1.3,f=-1.9) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 145:sc= 0.623 (180deg=0.0718) USER MOD Single : A 120 LYS NZ :NH3+ 177:sc= 1.63 (180deg=1.49) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 GLN : amide:sc= 0.9 K(o=0.9,f=-0.27) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N ALA A 94 2.562 0.642 1.687 1.00 0.00 N ATOM 69 CA ALA A 94 3.214 1.897 1.341 1.00 0.00 C ATOM 70 C ALA A 94 2.313 2.721 0.425 1.00 0.00 C ATOM 71 O ALA A 94 2.070 3.896 0.690 1.00 0.00 O ATOM 72 CB ALA A 94 4.548 1.605 0.655 1.00 0.00 C ATOM 0 HA ALA A 94 3.399 2.471 2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.037 2.544 0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.188 1.037 1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.372 1.025 -0.251 1.00 0.00 H new ATOM 78 N LYS A 95 1.824 2.095 -0.659 1.00 0.00 N ATOM 79 CA LYS A 95 0.956 2.758 -1.625 1.00 0.00 C ATOM 80 C LYS A 95 1.619 4.051 -2.120 1.00 0.00 C ATOM 81 O LYS A 95 0.944 5.050 -2.347 1.00 0.00 O ATOM 82 CB LYS A 95 -0.403 3.043 -0.958 1.00 0.00 C ATOM 83 CG LYS A 95 -1.501 3.208 -2.018 1.00 0.00 C ATOM 84 CD LYS A 95 -1.913 1.836 -2.569 1.00 0.00 C ATOM 85 CE LYS A 95 -3.247 1.952 -3.313 1.00 0.00 C ATOM 86 NZ LYS A 95 -3.156 2.911 -4.431 1.00 0.00 N ATOM 0 H LYS A 95 2.023 1.120 -0.882 1.00 0.00 H new ATOM 0 HA LYS A 95 0.794 2.116 -2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.661 2.227 -0.283 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.335 3.947 -0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.366 3.708 -1.582 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.142 3.841 -2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.143 1.459 -3.242 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.003 1.119 -1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.540 0.973 -3.693 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.026 2.271 -2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.013 2.844 -5.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.068 3.876 -4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.322 2.689 -5.012 1.00 0.00 H new ATOM 100 N TYR A 96 2.950 4.018 -2.283 1.00 0.00 N ATOM 101 CA TYR A 96 3.708 5.177 -2.715 1.00 0.00 C ATOM 102 C TYR A 96 5.095 4.753 -3.178 1.00 0.00 C ATOM 103 O TYR A 96 5.619 3.733 -2.730 1.00 0.00 O ATOM 104 CB TYR A 96 3.837 6.168 -1.554 1.00 0.00 C ATOM 105 CG TYR A 96 2.843 7.302 -1.608 1.00 0.00 C ATOM 106 CD1 TYR A 96 2.898 8.228 -2.662 1.00 0.00 C ATOM 107 CD2 TYR A 96 1.874 7.442 -0.598 1.00 0.00 C ATOM 108 CE1 TYR A 96 1.983 9.289 -2.713 1.00 0.00 C ATOM 109 CE2 TYR A 96 0.959 8.506 -0.648 1.00 0.00 C ATOM 110 CZ TYR A 96 1.013 9.430 -1.705 1.00 0.00 C ATOM 111 OH TYR A 96 0.126 10.462 -1.751 1.00 0.00 O ATOM 0 H TYR A 96 3.518 3.187 -2.117 1.00 0.00 H new ATOM 0 HA TYR A 96 3.186 5.653 -3.545 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.710 5.631 -0.614 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.846 6.581 -1.552 1.00 0.00 H new ATOM 0 HD1 TYR A 96 3.646 8.123 -3.434 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.834 6.732 0.215 1.00 0.00 H new ATOM 0 HE1 TYR A 96 2.023 9.998 -3.527 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.214 8.614 0.126 1.00 0.00 H new ATOM 0 HH TYR A 96 -0.476 10.411 -0.979 1.00 0.00 H new ATOM 121 N SER A 97 5.689 5.557 -4.067 1.00 0.00 N ATOM 122 CA SER A 97 7.033 5.322 -4.569 1.00 0.00 C ATOM 123 C SER A 97 7.994 6.289 -3.875 1.00 0.00 C ATOM 124 O SER A 97 7.554 7.235 -3.220 1.00 0.00 O ATOM 125 CB SER A 97 7.043 5.541 -6.083 1.00 0.00 C ATOM 126 OG SER A 97 8.277 5.107 -6.617 1.00 0.00 O ATOM 0 H SER A 97 5.244 6.389 -4.455 1.00 0.00 H new ATOM 0 HA SER A 97 7.349 4.300 -4.361 1.00 0.00 H new ATOM 0 HB2 SER A 97 6.222 4.993 -6.545 1.00 0.00 H new ATOM 0 HB3 SER A 97 6.888 6.596 -6.309 1.00 0.00 H new ATOM 0 HG SER A 97 8.281 5.246 -7.587 1.00 0.00 H new ATOM 132 N TYR A 98 9.305 6.053 -4.013 1.00 0.00 N ATOM 133 CA TYR A 98 10.305 6.915 -3.409 1.00 0.00 C ATOM 134 C TYR A 98 11.619 6.820 -4.181 1.00 0.00 C ATOM 135 O TYR A 98 11.790 5.934 -5.018 1.00 0.00 O ATOM 136 CB TYR A 98 10.506 6.527 -1.938 1.00 0.00 C ATOM 137 CG TYR A 98 11.059 7.662 -1.104 1.00 0.00 C ATOM 138 CD1 TYR A 98 10.300 8.833 -0.928 1.00 0.00 C ATOM 139 CD2 TYR A 98 12.334 7.556 -0.516 1.00 0.00 C ATOM 140 CE1 TYR A 98 10.816 9.897 -0.173 1.00 0.00 C ATOM 141 CE2 TYR A 98 12.848 8.624 0.239 1.00 0.00 C ATOM 142 CZ TYR A 98 12.091 9.795 0.408 1.00 0.00 C ATOM 143 OH TYR A 98 12.584 10.831 1.137 1.00 0.00 O ATOM 0 H TYR A 98 9.689 5.269 -4.540 1.00 0.00 H new ATOM 0 HA TYR A 98 9.961 7.948 -3.451 1.00 0.00 H new ATOM 0 HB2 TYR A 98 9.553 6.204 -1.518 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.184 5.676 -1.881 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.320 8.913 -1.374 1.00 0.00 H new ATOM 0 HD2 TYR A 98 12.916 6.655 -0.645 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.232 10.796 -0.038 1.00 0.00 H new ATOM 0 HE2 TYR A 98 13.826 8.544 0.690 1.00 0.00 H new ATOM 0 HH TYR A 98 13.560 10.761 1.186 1.00 0.00 H new ATOM 153 N VAL A 99 12.541 7.746 -3.891 1.00 0.00 N ATOM 154 CA VAL A 99 13.838 7.803 -4.552 1.00 0.00 C ATOM 155 C VAL A 99 14.918 7.231 -3.629 1.00 0.00 C ATOM 156 O VAL A 99 14.713 7.119 -2.421 1.00 0.00 O ATOM 157 CB VAL A 99 14.134 9.269 -4.931 1.00 0.00 C ATOM 158 CG1 VAL A 99 14.422 10.100 -3.672 1.00 0.00 C ATOM 159 CG2 VAL A 99 15.339 9.342 -5.875 1.00 0.00 C ATOM 0 H VAL A 99 12.403 8.474 -3.190 1.00 0.00 H new ATOM 0 HA VAL A 99 13.830 7.201 -5.460 1.00 0.00 H new ATOM 0 HB VAL A 99 13.257 9.674 -5.435 1.00 0.00 H new ATOM 0 HG11 VAL A 99 14.629 11.132 -3.956 1.00 0.00 H new ATOM 0 HG12 VAL A 99 13.555 10.072 -3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 99 15.287 9.686 -3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 99 15.536 10.382 -6.134 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.214 8.919 -5.381 1.00 0.00 H new ATOM 0 HG23 VAL A 99 15.125 8.777 -6.782 1.00 0.00 H new ATOM 169 N ASP A 100 16.068 6.872 -4.210 1.00 0.00 N ATOM 170 CA ASP A 100 17.207 6.340 -3.474 1.00 0.00 C ATOM 171 C ASP A 100 17.907 7.451 -2.677 1.00 0.00 C ATOM 172 O ASP A 100 19.086 7.722 -2.888 1.00 0.00 O ATOM 173 CB ASP A 100 18.187 5.685 -4.468 1.00 0.00 C ATOM 174 CG ASP A 100 18.383 6.551 -5.711 1.00 0.00 C ATOM 175 OD1 ASP A 100 17.420 6.612 -6.514 1.00 0.00 O ATOM 176 OD2 ASP A 100 19.481 7.130 -5.839 1.00 0.00 O ATOM 0 H ASP A 100 16.230 6.946 -5.214 1.00 0.00 H new ATOM 0 HA ASP A 100 16.858 5.592 -2.762 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.148 5.523 -3.980 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.810 4.705 -4.761 1.00 0.00 H new ATOM 181 N GLU A 101 17.182 8.078 -1.743 1.00 0.00 N ATOM 182 CA GLU A 101 17.758 9.093 -0.872 1.00 0.00 C ATOM 183 C GLU A 101 18.856 8.431 -0.044 1.00 0.00 C ATOM 184 O GLU A 101 19.936 8.988 0.142 1.00 0.00 O ATOM 185 CB GLU A 101 16.654 9.659 0.032 1.00 0.00 C ATOM 186 CG GLU A 101 17.197 10.817 0.872 1.00 0.00 C ATOM 187 CD GLU A 101 16.188 11.228 1.935 1.00 0.00 C ATOM 188 OE1 GLU A 101 15.080 11.643 1.535 1.00 0.00 O ATOM 189 OE2 GLU A 101 16.540 11.122 3.128 1.00 0.00 O ATOM 0 H GLU A 101 16.193 7.895 -1.576 1.00 0.00 H new ATOM 0 HA GLU A 101 18.184 9.915 -1.447 1.00 0.00 H new ATOM 0 HB2 GLU A 101 15.817 10.003 -0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 101 16.272 8.875 0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 101 18.133 10.522 1.346 1.00 0.00 H new ATOM 0 HG3 GLU A 101 17.421 11.667 0.227 1.00 0.00 H new ATOM 196 N ASN A 102 18.555 7.223 0.437 1.00 0.00 N ATOM 197 CA ASN A 102 19.479 6.416 1.213 1.00 0.00 C ATOM 198 C ASN A 102 18.972 4.973 1.203 1.00 0.00 C ATOM 199 O ASN A 102 19.017 4.284 2.220 1.00 0.00 O ATOM 200 CB ASN A 102 19.587 6.970 2.643 1.00 0.00 C ATOM 201 CG ASN A 102 18.210 7.303 3.218 1.00 0.00 C ATOM 202 OD1 ASN A 102 17.425 6.408 3.520 1.00 0.00 O ATOM 203 ND2 ASN A 102 17.920 8.596 3.366 1.00 0.00 N ATOM 0 H ASN A 102 17.649 6.778 0.293 1.00 0.00 H new ATOM 0 HA ASN A 102 20.479 6.446 0.780 1.00 0.00 H new ATOM 0 HB2 ASN A 102 20.082 6.239 3.282 1.00 0.00 H new ATOM 0 HB3 ASN A 102 20.209 7.865 2.642 1.00 0.00 H new ATOM 0 HD21 ASN A 102 17.015 8.876 3.744 1.00 0.00 H new ATOM 0 HD22 ASN A 102 18.603 9.305 3.102 1.00 0.00 H new ATOM 210 N GLY A 103 18.475 4.526 0.034 1.00 0.00 N ATOM 211 CA GLY A 103 17.930 3.188 -0.121 1.00 0.00 C ATOM 212 C GLY A 103 18.276 2.628 -1.500 1.00 0.00 C ATOM 213 O GLY A 103 19.417 2.247 -1.738 1.00 0.00 O ATOM 0 H GLY A 103 18.445 5.087 -0.817 1.00 0.00 H new ATOM 0 HA2 GLY A 103 18.329 2.534 0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 103 16.848 3.212 0.008 1.00 0.00 H new ATOM 217 N GLU A 104 17.278 2.573 -2.402 1.00 0.00 N ATOM 218 CA GLU A 104 17.461 2.013 -3.739 1.00 0.00 C ATOM 219 C GLU A 104 16.187 2.245 -4.565 1.00 0.00 C ATOM 220 O GLU A 104 15.686 1.325 -5.212 1.00 0.00 O ATOM 221 CB GLU A 104 17.771 0.505 -3.628 1.00 0.00 C ATOM 222 CG GLU A 104 18.457 0.007 -4.908 1.00 0.00 C ATOM 223 CD GLU A 104 19.926 0.415 -4.938 1.00 0.00 C ATOM 224 OE1 GLU A 104 20.715 -0.257 -4.237 1.00 0.00 O ATOM 225 OE2 GLU A 104 20.232 1.386 -5.661 1.00 0.00 O ATOM 0 H GLU A 104 16.334 2.914 -2.220 1.00 0.00 H new ATOM 0 HA GLU A 104 18.297 2.504 -4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.414 0.321 -2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.849 -0.052 -3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 104 18.377 -1.078 -4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.945 0.414 -5.780 1.00 0.00 H new ATOM 232 N THR A 105 15.661 3.477 -4.534 1.00 0.00 N ATOM 233 CA THR A 105 14.455 3.831 -5.270 1.00 0.00 C ATOM 234 C THR A 105 13.310 2.895 -4.857 1.00 0.00 C ATOM 235 O THR A 105 12.576 2.385 -5.703 1.00 0.00 O ATOM 236 CB THR A 105 14.732 3.753 -6.784 1.00 0.00 C ATOM 237 OG1 THR A 105 16.056 4.178 -7.052 1.00 0.00 O ATOM 238 CG2 THR A 105 13.753 4.652 -7.541 1.00 0.00 C ATOM 0 H THR A 105 16.062 4.247 -3.999 1.00 0.00 H new ATOM 0 HA THR A 105 14.158 4.853 -5.034 1.00 0.00 H new ATOM 0 HB THR A 105 14.605 2.721 -7.112 1.00 0.00 H new ATOM 0 HG1 THR A 105 16.179 5.092 -6.722 1.00 0.00 H new ATOM 0 HG21 THR A 105 13.956 4.591 -8.610 1.00 0.00 H new ATOM 0 HG22 THR A 105 12.732 4.324 -7.346 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.873 5.683 -7.207 1.00 0.00 H new ATOM 246 N LYS A 106 13.175 2.670 -3.543 1.00 0.00 N ATOM 247 CA LYS A 106 12.154 1.783 -3.003 1.00 0.00 C ATOM 248 C LYS A 106 10.851 2.564 -2.781 1.00 0.00 C ATOM 249 O LYS A 106 10.644 3.614 -3.383 1.00 0.00 O ATOM 250 CB LYS A 106 12.674 1.181 -1.685 1.00 0.00 C ATOM 251 CG LYS A 106 12.231 -0.285 -1.565 1.00 0.00 C ATOM 252 CD LYS A 106 12.329 -0.742 -0.104 1.00 0.00 C ATOM 253 CE LYS A 106 11.075 -0.310 0.666 1.00 0.00 C ATOM 254 NZ LYS A 106 11.144 -0.735 2.075 1.00 0.00 N ATOM 0 H LYS A 106 13.770 3.098 -2.834 1.00 0.00 H new ATOM 0 HA LYS A 106 11.943 0.975 -3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 106 13.762 1.245 -1.651 1.00 0.00 H new ATOM 0 HB3 LYS A 106 12.295 1.754 -0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 106 11.207 -0.395 -1.922 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.857 -0.916 -2.195 1.00 0.00 H new ATOM 0 HD2 LYS A 106 12.438 -1.826 -0.060 1.00 0.00 H new ATOM 0 HD3 LYS A 106 13.217 -0.314 0.361 1.00 0.00 H new ATOM 0 HE2 LYS A 106 10.969 0.774 0.615 1.00 0.00 H new ATOM 0 HE3 LYS A 106 10.190 -0.740 0.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 10.231 -0.552 2.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.357 -1.752 2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 11.892 -0.202 2.562 1.00 0.00 H new ATOM 268 N THR A 107 9.979 2.041 -1.911 1.00 0.00 N ATOM 269 CA THR A 107 8.713 2.680 -1.586 1.00 0.00 C ATOM 270 C THR A 107 8.867 3.474 -0.289 1.00 0.00 C ATOM 271 O THR A 107 9.938 3.472 0.317 1.00 0.00 O ATOM 272 CB THR A 107 7.634 1.598 -1.444 1.00 0.00 C ATOM 273 OG1 THR A 107 8.039 0.647 -0.478 1.00 0.00 O ATOM 274 CG2 THR A 107 7.423 0.895 -2.787 1.00 0.00 C ATOM 0 H THR A 107 10.138 1.163 -1.416 1.00 0.00 H new ATOM 0 HA THR A 107 8.418 3.369 -2.377 1.00 0.00 H new ATOM 0 HB THR A 107 6.701 2.065 -1.129 1.00 0.00 H new ATOM 0 HG1 THR A 107 7.348 -0.042 -0.388 1.00 0.00 H new ATOM 0 HG21 THR A 107 6.656 0.128 -2.680 1.00 0.00 H new ATOM 0 HG22 THR A 107 7.106 1.624 -3.533 1.00 0.00 H new ATOM 0 HG23 THR A 107 8.357 0.432 -3.106 1.00 0.00 H new ATOM 282 N TRP A 108 7.793 4.154 0.141 1.00 0.00 N ATOM 283 CA TRP A 108 7.813 4.941 1.370 1.00 0.00 C ATOM 284 C TRP A 108 8.253 4.073 2.549 1.00 0.00 C ATOM 285 O TRP A 108 9.167 4.443 3.282 1.00 0.00 O ATOM 286 CB TRP A 108 6.417 5.524 1.629 1.00 0.00 C ATOM 287 CG TRP A 108 6.135 6.834 0.957 1.00 0.00 C ATOM 288 CD1 TRP A 108 6.808 7.353 -0.085 1.00 0.00 C ATOM 289 CD2 TRP A 108 5.099 7.814 1.272 1.00 0.00 C ATOM 290 NE1 TRP A 108 6.290 8.571 -0.450 1.00 0.00 N ATOM 291 CE2 TRP A 108 5.222 8.911 0.361 1.00 0.00 C ATOM 292 CE3 TRP A 108 4.064 7.896 2.234 1.00 0.00 C ATOM 293 CZ2 TRP A 108 4.371 10.019 0.404 1.00 0.00 C ATOM 294 CZ3 TRP A 108 3.203 9.013 2.279 1.00 0.00 C ATOM 295 CH2 TRP A 108 3.358 10.070 1.365 1.00 0.00 C ATOM 0 H TRP A 108 6.900 4.170 -0.351 1.00 0.00 H new ATOM 0 HA TRP A 108 8.527 5.758 1.260 1.00 0.00 H new ATOM 0 HB2 TRP A 108 5.672 4.799 1.302 1.00 0.00 H new ATOM 0 HB3 TRP A 108 6.288 5.651 2.704 1.00 0.00 H new ATOM 0 HD1 TRP A 108 7.646 6.875 -0.571 1.00 0.00 H new ATOM 0 HE1 TRP A 108 6.644 9.146 -1.214 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.931 7.093 2.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 4.495 10.829 -0.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 2.419 9.056 3.021 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.694 10.921 1.406 1.00 0.00 H new ATOM 306 N THR A 109 7.602 2.917 2.729 1.00 0.00 N ATOM 307 CA THR A 109 7.933 2.006 3.816 1.00 0.00 C ATOM 308 C THR A 109 7.663 0.562 3.381 1.00 0.00 C ATOM 309 O THR A 109 8.597 -0.152 3.012 1.00 0.00 O ATOM 310 CB THR A 109 7.146 2.391 5.096 1.00 0.00 C ATOM 311 OG1 THR A 109 6.883 1.239 5.870 1.00 0.00 O ATOM 312 CG2 THR A 109 5.820 3.081 4.746 1.00 0.00 C ATOM 0 H THR A 109 6.841 2.596 2.130 1.00 0.00 H new ATOM 0 HA THR A 109 8.994 2.086 4.055 1.00 0.00 H new ATOM 0 HB THR A 109 7.760 3.086 5.668 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.712 0.933 6.293 1.00 0.00 H new ATOM 0 HG21 THR A 109 5.291 3.339 5.663 1.00 0.00 H new ATOM 0 HG22 THR A 109 6.021 3.988 4.176 1.00 0.00 H new ATOM 0 HG23 THR A 109 5.205 2.407 4.150 1.00 0.00 H new ATOM 320 N GLY A 110 6.396 0.128 3.427 1.00 0.00 N ATOM 321 CA GLY A 110 6.029 -1.233 3.068 1.00 0.00 C ATOM 322 C GLY A 110 6.118 -2.145 4.296 1.00 0.00 C ATOM 323 O GLY A 110 5.643 -3.277 4.262 1.00 0.00 O ATOM 0 H GLY A 110 5.609 0.711 3.712 1.00 0.00 H new ATOM 0 HA2 GLY A 110 5.016 -1.250 2.665 1.00 0.00 H new ATOM 0 HA3 GLY A 110 6.690 -1.601 2.284 1.00 0.00 H new ATOM 327 N GLN A 111 6.730 -1.641 5.381 1.00 0.00 N ATOM 328 CA GLN A 111 6.888 -2.389 6.614 1.00 0.00 C ATOM 329 C GLN A 111 7.270 -1.414 7.727 1.00 0.00 C ATOM 330 O GLN A 111 8.158 -0.579 7.542 1.00 0.00 O ATOM 331 CB GLN A 111 7.971 -3.467 6.425 1.00 0.00 C ATOM 332 CG GLN A 111 7.898 -4.508 7.553 1.00 0.00 C ATOM 333 CD GLN A 111 8.485 -3.972 8.859 1.00 0.00 C ATOM 334 OE1 GLN A 111 9.517 -3.309 8.852 1.00 0.00 O ATOM 335 NE2 GLN A 111 7.823 -4.263 9.978 1.00 0.00 N ATOM 0 H GLN A 111 7.125 -0.701 5.415 1.00 0.00 H new ATOM 0 HA GLN A 111 5.957 -2.889 6.883 1.00 0.00 H new ATOM 0 HB2 GLN A 111 7.840 -3.958 5.461 1.00 0.00 H new ATOM 0 HB3 GLN A 111 8.957 -3.002 6.414 1.00 0.00 H new ATOM 0 HG2 GLN A 111 6.860 -4.798 7.713 1.00 0.00 H new ATOM 0 HG3 GLN A 111 8.437 -5.407 7.254 1.00 0.00 H new ATOM 0 HE21 GLN A 111 6.968 -4.818 9.935 1.00 0.00 H new ATOM 0 HE22 GLN A 111 8.171 -3.931 10.877 1.00 0.00 H new ATOM 344 N GLY A 112 6.598 -1.513 8.878 1.00 0.00 N ATOM 345 CA GLY A 112 6.870 -0.641 10.009 1.00 0.00 C ATOM 346 C GLY A 112 6.283 0.748 9.763 1.00 0.00 C ATOM 347 O GLY A 112 5.423 0.920 8.899 1.00 0.00 O ATOM 0 H GLY A 112 5.858 -2.195 9.045 1.00 0.00 H new ATOM 0 HA2 GLY A 112 6.443 -1.068 10.917 1.00 0.00 H new ATOM 0 HA3 GLY A 112 7.946 -0.565 10.168 1.00 0.00 H new ATOM 351 N ARG A 113 6.752 1.737 10.531 1.00 0.00 N ATOM 352 CA ARG A 113 6.273 3.107 10.408 1.00 0.00 C ATOM 353 C ARG A 113 6.941 3.801 9.218 1.00 0.00 C ATOM 354 O ARG A 113 7.950 3.327 8.698 1.00 0.00 O ATOM 355 CB ARG A 113 6.564 3.871 11.708 1.00 0.00 C ATOM 356 CG ARG A 113 8.060 3.787 12.056 1.00 0.00 C ATOM 357 CD ARG A 113 8.488 5.041 12.823 1.00 0.00 C ATOM 358 NE ARG A 113 8.519 6.216 11.937 1.00 0.00 N ATOM 359 CZ ARG A 113 8.951 7.426 12.335 1.00 0.00 C ATOM 360 NH1 ARG A 113 9.369 7.613 13.594 1.00 0.00 N ATOM 361 NH2 ARG A 113 8.959 8.445 11.467 1.00 0.00 N ATOM 0 H ARG A 113 7.467 1.607 11.247 1.00 0.00 H new ATOM 0 HA ARG A 113 5.197 3.096 10.235 1.00 0.00 H new ATOM 0 HB2 ARG A 113 6.268 4.914 11.598 1.00 0.00 H new ATOM 0 HB3 ARG A 113 5.971 3.455 12.522 1.00 0.00 H new ATOM 0 HG2 ARG A 113 8.253 2.899 12.657 1.00 0.00 H new ATOM 0 HG3 ARG A 113 8.649 3.689 11.144 1.00 0.00 H new ATOM 0 HD2 ARG A 113 7.798 5.221 13.647 1.00 0.00 H new ATOM 0 HD3 ARG A 113 9.474 4.885 13.261 1.00 0.00 H new ATOM 0 HE ARG A 113 8.197 6.107 10.975 1.00 0.00 H new ATOM 0 HH11 ARG A 113 9.360 6.836 14.255 1.00 0.00 H new ATOM 0 HH12 ARG A 113 9.696 8.532 13.892 1.00 0.00 H new ATOM 0 HH21 ARG A 113 8.639 8.302 10.509 1.00 0.00 H new ATOM 0 HH22 ARG A 113 9.286 9.365 11.763 1.00 0.00 H new ATOM 375 N THR A 114 6.372 4.936 8.801 1.00 0.00 N ATOM 376 CA THR A 114 6.916 5.718 7.702 1.00 0.00 C ATOM 377 C THR A 114 8.145 6.492 8.204 1.00 0.00 C ATOM 378 O THR A 114 8.043 7.213 9.199 1.00 0.00 O ATOM 379 CB THR A 114 5.833 6.679 7.195 1.00 0.00 C ATOM 380 OG1 THR A 114 4.652 5.954 6.927 1.00 0.00 O ATOM 381 CG2 THR A 114 6.303 7.368 5.913 1.00 0.00 C ATOM 0 H THR A 114 5.528 5.331 9.216 1.00 0.00 H new ATOM 0 HA THR A 114 7.222 5.071 6.880 1.00 0.00 H new ATOM 0 HB THR A 114 5.640 7.433 7.958 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.958 6.566 6.605 1.00 0.00 H new ATOM 0 HG21 THR A 114 5.528 8.048 5.560 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.215 7.930 6.115 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.502 6.617 5.148 1.00 0.00 H new ATOM 389 N PRO A 115 9.313 6.352 7.537 1.00 0.00 N ATOM 390 CA PRO A 115 10.524 7.036 7.944 1.00 0.00 C ATOM 391 C PRO A 115 10.372 8.551 7.778 1.00 0.00 C ATOM 392 O PRO A 115 9.512 9.018 7.032 1.00 0.00 O ATOM 393 CB PRO A 115 11.636 6.479 7.051 1.00 0.00 C ATOM 394 CG PRO A 115 10.950 5.648 5.960 1.00 0.00 C ATOM 395 CD PRO A 115 9.484 5.511 6.370 1.00 0.00 C ATOM 0 HA PRO A 115 10.750 6.870 8.997 1.00 0.00 H new ATOM 0 HB2 PRO A 115 12.221 7.287 6.612 1.00 0.00 H new ATOM 0 HB3 PRO A 115 12.326 5.864 7.630 1.00 0.00 H new ATOM 0 HG2 PRO A 115 11.037 6.136 4.989 1.00 0.00 H new ATOM 0 HG3 PRO A 115 11.419 4.669 5.867 1.00 0.00 H new ATOM 0 HD2 PRO A 115 8.823 5.825 5.563 1.00 0.00 H new ATOM 0 HD3 PRO A 115 9.238 4.474 6.598 1.00 0.00 H new ATOM 403 N ALA A 116 11.215 9.318 8.481 1.00 0.00 N ATOM 404 CA ALA A 116 11.167 10.776 8.440 1.00 0.00 C ATOM 405 C ALA A 116 11.662 11.313 7.090 1.00 0.00 C ATOM 406 O ALA A 116 11.488 12.496 6.800 1.00 0.00 O ATOM 407 CB ALA A 116 12.024 11.333 9.578 1.00 0.00 C ATOM 0 H ALA A 116 11.943 8.944 9.089 1.00 0.00 H new ATOM 0 HA ALA A 116 10.133 11.098 8.561 1.00 0.00 H new ATOM 0 HB1 ALA A 116 11.995 12.422 9.556 1.00 0.00 H new ATOM 0 HB2 ALA A 116 11.636 10.979 10.533 1.00 0.00 H new ATOM 0 HB3 ALA A 116 13.053 10.995 9.457 1.00 0.00 H new ATOM 413 N VAL A 117 12.274 10.452 6.266 1.00 0.00 N ATOM 414 CA VAL A 117 12.789 10.862 4.964 1.00 0.00 C ATOM 415 C VAL A 117 11.667 11.475 4.118 1.00 0.00 C ATOM 416 O VAL A 117 11.912 12.393 3.342 1.00 0.00 O ATOM 417 CB VAL A 117 13.436 9.662 4.247 1.00 0.00 C ATOM 418 CG1 VAL A 117 14.536 9.059 5.128 1.00 0.00 C ATOM 419 CG2 VAL A 117 12.385 8.591 3.933 1.00 0.00 C ATOM 0 H VAL A 117 12.422 9.467 6.484 1.00 0.00 H new ATOM 0 HA VAL A 117 13.556 11.623 5.108 1.00 0.00 H new ATOM 0 HB VAL A 117 13.871 10.013 3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 117 14.989 8.211 4.615 1.00 0.00 H new ATOM 0 HG12 VAL A 117 15.298 9.813 5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 117 14.104 8.724 6.071 1.00 0.00 H new ATOM 0 HG21 VAL A 117 12.861 7.751 3.427 1.00 0.00 H new ATOM 0 HG22 VAL A 117 11.930 8.244 4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 117 11.615 9.015 3.288 1.00 0.00 H new ATOM 429 N ILE A 118 10.431 10.971 4.276 1.00 0.00 N ATOM 430 CA ILE A 118 9.288 11.479 3.526 1.00 0.00 C ATOM 431 C ILE A 118 9.137 12.982 3.766 1.00 0.00 C ATOM 432 O ILE A 118 8.898 13.735 2.823 1.00 0.00 O ATOM 433 CB ILE A 118 8.012 10.726 3.944 1.00 0.00 C ATOM 434 CG1 ILE A 118 8.175 9.209 3.723 1.00 0.00 C ATOM 435 CG2 ILE A 118 6.815 11.242 3.131 1.00 0.00 C ATOM 436 CD1 ILE A 118 8.706 8.906 2.319 1.00 0.00 C ATOM 0 H ILE A 118 10.206 10.212 4.919 1.00 0.00 H new ATOM 0 HA ILE A 118 9.451 11.315 2.461 1.00 0.00 H new ATOM 0 HB ILE A 118 7.837 10.905 5.005 1.00 0.00 H new ATOM 0 HG12 ILE A 118 8.858 8.802 4.468 1.00 0.00 H new ATOM 0 HG13 ILE A 118 7.215 8.713 3.866 1.00 0.00 H new ATOM 0 HG21 ILE A 118 5.914 10.706 3.430 1.00 0.00 H new ATOM 0 HG22 ILE A 118 6.682 12.308 3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 118 6.999 11.078 2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 118 8.810 7.828 2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 118 8.009 9.292 1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 118 9.678 9.382 2.187 1.00 0.00 H new ATOM 448 N LYS A 119 9.283 13.425 5.023 1.00 0.00 N ATOM 449 CA LYS A 119 9.183 14.839 5.344 1.00 0.00 C ATOM 450 C LYS A 119 10.328 15.589 4.670 1.00 0.00 C ATOM 451 O LYS A 119 10.108 16.634 4.071 1.00 0.00 O ATOM 452 CB LYS A 119 9.214 15.049 6.863 1.00 0.00 C ATOM 453 CG LYS A 119 9.502 16.525 7.160 1.00 0.00 C ATOM 454 CD LYS A 119 9.072 16.873 8.585 1.00 0.00 C ATOM 455 CE LYS A 119 9.654 18.238 8.982 1.00 0.00 C ATOM 456 NZ LYS A 119 9.458 19.242 7.917 1.00 0.00 N ATOM 0 H LYS A 119 9.469 12.821 5.824 1.00 0.00 H new ATOM 0 HA LYS A 119 8.235 15.228 4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 119 8.260 14.756 7.303 1.00 0.00 H new ATOM 0 HB3 LYS A 119 9.980 14.418 7.314 1.00 0.00 H new ATOM 0 HG2 LYS A 119 10.566 16.728 7.034 1.00 0.00 H new ATOM 0 HG3 LYS A 119 8.971 17.157 6.448 1.00 0.00 H new ATOM 0 HD2 LYS A 119 7.984 16.897 8.651 1.00 0.00 H new ATOM 0 HD3 LYS A 119 9.416 16.105 9.277 1.00 0.00 H new ATOM 0 HE2 LYS A 119 9.180 18.583 9.901 1.00 0.00 H new ATOM 0 HE3 LYS A 119 10.718 18.133 9.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 9.287 20.174 8.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 10.309 19.286 7.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 8.640 18.974 7.334 1.00 0.00 H new ATOM 470 N LYS A 120 11.551 15.049 4.770 1.00 0.00 N ATOM 471 CA LYS A 120 12.717 15.672 4.158 1.00 0.00 C ATOM 472 C LYS A 120 12.434 15.933 2.678 1.00 0.00 C ATOM 473 O LYS A 120 12.705 17.022 2.174 1.00 0.00 O ATOM 474 CB LYS A 120 13.935 14.755 4.323 1.00 0.00 C ATOM 475 CG LYS A 120 15.224 15.556 4.084 1.00 0.00 C ATOM 476 CD LYS A 120 16.345 14.617 3.616 1.00 0.00 C ATOM 477 CE LYS A 120 16.515 14.719 2.094 1.00 0.00 C ATOM 478 NZ LYS A 120 15.274 14.357 1.385 1.00 0.00 N ATOM 0 H LYS A 120 11.751 14.183 5.270 1.00 0.00 H new ATOM 0 HA LYS A 120 12.930 16.623 4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 120 13.944 14.323 5.324 1.00 0.00 H new ATOM 0 HB3 LYS A 120 13.875 13.925 3.619 1.00 0.00 H new ATOM 0 HG2 LYS A 120 15.049 16.328 3.335 1.00 0.00 H new ATOM 0 HG3 LYS A 120 15.522 16.063 5.001 1.00 0.00 H new ATOM 0 HD2 LYS A 120 17.280 14.877 4.113 1.00 0.00 H new ATOM 0 HD3 LYS A 120 16.111 13.590 3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 120 16.804 15.735 1.827 1.00 0.00 H new ATOM 0 HE3 LYS A 120 17.323 14.062 1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 15.409 14.486 0.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 15.039 13.363 1.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 14.497 14.967 1.711 1.00 0.00 H new ATOM 492 N ALA A 121 11.884 14.926 1.988 1.00 0.00 N ATOM 493 CA ALA A 121 11.545 15.048 0.581 1.00 0.00 C ATOM 494 C ALA A 121 10.484 16.132 0.396 1.00 0.00 C ATOM 495 O ALA A 121 10.602 16.959 -0.491 1.00 0.00 O ATOM 496 CB ALA A 121 11.043 13.704 0.056 1.00 0.00 C ATOM 0 H ALA A 121 11.667 14.015 2.393 1.00 0.00 H new ATOM 0 HA ALA A 121 12.432 15.334 0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 121 10.789 13.798 -1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 121 11.823 12.952 0.176 1.00 0.00 H new ATOM 0 HB3 ALA A 121 10.158 13.402 0.616 1.00 0.00 H new ATOM 502 N MET A 122 9.449 16.125 1.241 1.00 0.00 N ATOM 503 CA MET A 122 8.377 17.108 1.152 1.00 0.00 C ATOM 504 C MET A 122 8.932 18.527 1.300 1.00 0.00 C ATOM 505 O MET A 122 8.466 19.447 0.627 1.00 0.00 O ATOM 506 CB MET A 122 7.333 16.818 2.237 1.00 0.00 C ATOM 507 CG MET A 122 6.057 17.616 1.954 1.00 0.00 C ATOM 508 SD MET A 122 4.678 17.200 3.050 1.00 0.00 S ATOM 509 CE MET A 122 3.420 18.298 2.351 1.00 0.00 C ATOM 0 H MET A 122 9.335 15.446 1.994 1.00 0.00 H new ATOM 0 HA MET A 122 7.905 17.036 0.172 1.00 0.00 H new ATOM 0 HB2 MET A 122 7.108 15.752 2.263 1.00 0.00 H new ATOM 0 HB3 MET A 122 7.730 17.084 3.217 1.00 0.00 H new ATOM 0 HG2 MET A 122 6.276 18.680 2.049 1.00 0.00 H new ATOM 0 HG3 MET A 122 5.753 17.444 0.921 1.00 0.00 H new ATOM 0 HE1 MET A 122 2.488 18.181 2.903 1.00 0.00 H new ATOM 0 HE2 MET A 122 3.758 19.332 2.424 1.00 0.00 H new ATOM 0 HE3 MET A 122 3.256 18.043 1.304 1.00 0.00 H new ATOM 519 N ASP A 123 9.916 18.705 2.186 1.00 0.00 N ATOM 520 CA ASP A 123 10.501 20.013 2.447 1.00 0.00 C ATOM 521 C ASP A 123 11.280 20.518 1.227 1.00 0.00 C ATOM 522 O ASP A 123 11.059 21.645 0.784 1.00 0.00 O ATOM 523 CB ASP A 123 11.421 19.927 3.676 1.00 0.00 C ATOM 524 CG ASP A 123 10.640 19.595 4.949 1.00 0.00 C ATOM 525 OD1 ASP A 123 9.484 20.057 5.056 1.00 0.00 O ATOM 526 OD2 ASP A 123 11.216 18.884 5.803 1.00 0.00 O ATOM 0 H ASP A 123 10.324 17.949 2.736 1.00 0.00 H new ATOM 0 HA ASP A 123 9.699 20.724 2.647 1.00 0.00 H new ATOM 0 HB2 ASP A 123 12.182 19.165 3.508 1.00 0.00 H new ATOM 0 HB3 ASP A 123 11.943 20.875 3.807 1.00 0.00 H new ATOM 531 N GLU A 124 12.202 19.701 0.694 1.00 0.00 N ATOM 532 CA GLU A 124 13.042 20.122 -0.427 1.00 0.00 C ATOM 533 C GLU A 124 12.261 20.119 -1.751 1.00 0.00 C ATOM 534 O GLU A 124 12.323 21.093 -2.501 1.00 0.00 O ATOM 535 CB GLU A 124 14.301 19.235 -0.500 1.00 0.00 C ATOM 536 CG GLU A 124 13.941 17.793 -0.890 1.00 0.00 C ATOM 537 CD GLU A 124 15.106 16.840 -0.636 1.00 0.00 C ATOM 538 OE1 GLU A 124 16.154 17.322 -0.159 1.00 0.00 O ATOM 539 OE2 GLU A 124 14.924 15.636 -0.922 1.00 0.00 O ATOM 0 H GLU A 124 12.381 18.752 1.022 1.00 0.00 H new ATOM 0 HA GLU A 124 13.358 21.151 -0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 124 14.999 19.648 -1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 124 14.808 19.238 0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 124 13.071 17.467 -0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 124 13.663 17.758 -1.943 1.00 0.00 H new ATOM 546 N GLN A 125 11.532 19.034 -2.042 1.00 0.00 N ATOM 547 CA GLN A 125 10.768 18.918 -3.278 1.00 0.00 C ATOM 548 C GLN A 125 9.760 17.776 -3.151 1.00 0.00 C ATOM 549 O GLN A 125 10.129 16.605 -3.219 1.00 0.00 O ATOM 550 CB GLN A 125 11.732 18.678 -4.455 1.00 0.00 C ATOM 551 CG GLN A 125 10.964 18.276 -5.724 1.00 0.00 C ATOM 552 CD GLN A 125 9.788 19.211 -5.995 1.00 0.00 C ATOM 553 OE1 GLN A 125 9.961 20.423 -6.085 1.00 0.00 O ATOM 554 NE2 GLN A 125 8.590 18.642 -6.123 1.00 0.00 N ATOM 0 H GLN A 125 11.459 18.222 -1.429 1.00 0.00 H new ATOM 0 HA GLN A 125 10.218 19.841 -3.465 1.00 0.00 H new ATOM 0 HB2 GLN A 125 12.310 19.582 -4.647 1.00 0.00 H new ATOM 0 HB3 GLN A 125 12.443 17.895 -4.193 1.00 0.00 H new ATOM 0 HG2 GLN A 125 11.642 18.287 -6.578 1.00 0.00 H new ATOM 0 HG3 GLN A 125 10.599 17.254 -5.620 1.00 0.00 H new ATOM 0 HE21 GLN A 125 8.495 17.630 -6.040 1.00 0.00 H new ATOM 0 HE22 GLN A 125 7.768 19.219 -6.304 1.00 0.00 H new ATOM 563 N GLY A 126 8.485 18.129 -2.972 1.00 0.00 N ATOM 564 CA GLY A 126 7.417 17.155 -2.857 1.00 0.00 C ATOM 565 C GLY A 126 6.080 17.857 -3.027 1.00 0.00 C ATOM 566 O GLY A 126 5.534 18.386 -2.061 1.00 0.00 O ATOM 0 H GLY A 126 8.173 19.098 -2.904 1.00 0.00 H new ATOM 0 HA2 GLY A 126 7.533 16.379 -3.614 1.00 0.00 H new ATOM 0 HA3 GLY A 126 7.461 16.662 -1.886 1.00 0.00 H new ATOM 570 N LYS A 127 5.563 17.862 -4.266 1.00 0.00 N ATOM 571 CA LYS A 127 4.298 18.513 -4.603 1.00 0.00 C ATOM 572 C LYS A 127 3.237 18.229 -3.533 1.00 0.00 C ATOM 573 O LYS A 127 2.812 19.142 -2.828 1.00 0.00 O ATOM 574 CB LYS A 127 3.839 18.011 -5.982 1.00 0.00 C ATOM 575 CG LYS A 127 2.625 18.813 -6.474 1.00 0.00 C ATOM 576 CD LYS A 127 3.097 20.091 -7.176 1.00 0.00 C ATOM 577 CE LYS A 127 1.893 20.819 -7.780 1.00 0.00 C ATOM 578 NZ LYS A 127 2.322 21.990 -8.566 1.00 0.00 N ATOM 0 H LYS A 127 6.016 17.412 -5.061 1.00 0.00 H new ATOM 0 HA LYS A 127 4.439 19.593 -4.639 1.00 0.00 H new ATOM 0 HB2 LYS A 127 4.656 18.102 -6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 127 3.583 16.953 -5.923 1.00 0.00 H new ATOM 0 HG2 LYS A 127 2.032 18.208 -7.160 1.00 0.00 H new ATOM 0 HG3 LYS A 127 1.980 19.066 -5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 127 3.609 20.740 -6.466 1.00 0.00 H new ATOM 0 HD3 LYS A 127 3.816 19.845 -7.958 1.00 0.00 H new ATOM 0 HE2 LYS A 127 1.332 20.135 -8.417 1.00 0.00 H new ATOM 0 HE3 LYS A 127 1.220 21.138 -6.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 1.487 22.465 -8.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 2.837 22.652 -7.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 2.945 21.680 -9.339 1.00 0.00 H new ATOM 592 N SER A 128 2.816 16.963 -3.421 1.00 0.00 N ATOM 593 CA SER A 128 1.805 16.549 -2.451 1.00 0.00 C ATOM 594 C SER A 128 1.642 15.035 -2.524 1.00 0.00 C ATOM 595 O SER A 128 1.703 14.349 -1.508 1.00 0.00 O ATOM 596 CB SER A 128 0.468 17.245 -2.753 1.00 0.00 C ATOM 597 OG SER A 128 -0.509 16.817 -1.827 1.00 0.00 O ATOM 0 H SER A 128 3.168 16.201 -4.001 1.00 0.00 H new ATOM 0 HA SER A 128 2.120 16.833 -1.447 1.00 0.00 H new ATOM 0 HB2 SER A 128 0.589 18.327 -2.696 1.00 0.00 H new ATOM 0 HB3 SER A 128 0.147 17.013 -3.769 1.00 0.00 H new ATOM 0 HG SER A 128 -1.360 17.263 -2.020 1.00 0.00 H new ATOM 603 N LEU A 129 1.435 14.525 -3.744 1.00 0.00 N ATOM 604 CA LEU A 129 1.263 13.098 -3.980 1.00 0.00 C ATOM 605 C LEU A 129 1.739 12.744 -5.393 1.00 0.00 C ATOM 606 O LEU A 129 2.335 11.687 -5.599 1.00 0.00 O ATOM 607 CB LEU A 129 -0.212 12.704 -3.767 1.00 0.00 C ATOM 608 CG LEU A 129 -1.153 13.529 -4.669 1.00 0.00 C ATOM 609 CD1 LEU A 129 -1.619 12.676 -5.855 1.00 0.00 C ATOM 610 CD2 LEU A 129 -2.376 13.973 -3.861 1.00 0.00 C ATOM 0 H LEU A 129 1.383 15.093 -4.589 1.00 0.00 H new ATOM 0 HA LEU A 129 1.867 12.534 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -0.341 11.643 -3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.483 12.855 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 129 -0.616 14.403 -5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -2.283 13.265 -6.488 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -0.754 12.356 -6.436 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -2.152 11.800 -5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -3.041 14.556 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -2.906 13.095 -3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -2.053 14.584 -3.018 1.00 0.00 H new ATOM 622 N ASP A 130 1.472 13.634 -6.359 1.00 0.00 N ATOM 623 CA ASP A 130 1.850 13.427 -7.748 1.00 0.00 C ATOM 624 C ASP A 130 3.352 13.191 -7.870 1.00 0.00 C ATOM 625 O ASP A 130 3.779 12.242 -8.516 1.00 0.00 O ATOM 626 CB ASP A 130 1.446 14.664 -8.560 1.00 0.00 C ATOM 627 CG ASP A 130 -0.005 15.047 -8.302 1.00 0.00 C ATOM 628 OD1 ASP A 130 -0.242 15.691 -7.255 1.00 0.00 O ATOM 629 OD2 ASP A 130 -0.849 14.687 -9.152 1.00 0.00 O ATOM 0 H ASP A 130 0.987 14.516 -6.191 1.00 0.00 H new ATOM 0 HA ASP A 130 1.337 12.545 -8.132 1.00 0.00 H new ATOM 0 HB2 ASP A 130 2.096 15.500 -8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 130 1.589 14.466 -9.622 1.00 0.00 H new ATOM 634 N ASP A 131 4.144 14.071 -7.251 1.00 0.00 N ATOM 635 CA ASP A 131 5.596 14.002 -7.318 1.00 0.00 C ATOM 636 C ASP A 131 6.118 12.744 -6.616 1.00 0.00 C ATOM 637 O ASP A 131 7.007 12.071 -7.132 1.00 0.00 O ATOM 638 CB ASP A 131 6.172 15.268 -6.679 1.00 0.00 C ATOM 639 CG ASP A 131 7.663 15.404 -6.950 1.00 0.00 C ATOM 640 OD1 ASP A 131 8.073 15.049 -8.077 1.00 0.00 O ATOM 641 OD2 ASP A 131 8.363 15.873 -6.029 1.00 0.00 O ATOM 0 H ASP A 131 3.792 14.848 -6.692 1.00 0.00 H new ATOM 0 HA ASP A 131 5.913 13.942 -8.359 1.00 0.00 H new ATOM 0 HB2 ASP A 131 5.650 16.142 -7.068 1.00 0.00 H new ATOM 0 HB3 ASP A 131 5.998 15.245 -5.603 1.00 0.00 H new ATOM 646 N PHE A 132 5.565 12.432 -5.438 1.00 0.00 N ATOM 647 CA PHE A 132 5.989 11.267 -4.669 1.00 0.00 C ATOM 648 C PHE A 132 5.759 9.986 -5.469 1.00 0.00 C ATOM 649 O PHE A 132 6.645 9.137 -5.549 1.00 0.00 O ATOM 650 CB PHE A 132 5.214 11.217 -3.351 1.00 0.00 C ATOM 651 CG PHE A 132 5.582 12.329 -2.395 1.00 0.00 C ATOM 652 CD1 PHE A 132 6.666 12.170 -1.513 1.00 0.00 C ATOM 653 CD2 PHE A 132 4.838 13.523 -2.384 1.00 0.00 C ATOM 654 CE1 PHE A 132 7.001 13.200 -0.619 1.00 0.00 C ATOM 655 CE2 PHE A 132 5.176 14.553 -1.492 1.00 0.00 C ATOM 656 CZ PHE A 132 6.255 14.390 -0.608 1.00 0.00 C ATOM 0 H PHE A 132 4.821 12.975 -5.000 1.00 0.00 H new ATOM 0 HA PHE A 132 7.055 11.349 -4.456 1.00 0.00 H new ATOM 0 HB2 PHE A 132 4.146 11.269 -3.564 1.00 0.00 H new ATOM 0 HB3 PHE A 132 5.396 10.257 -2.867 1.00 0.00 H new ATOM 0 HD1 PHE A 132 7.241 11.256 -1.523 1.00 0.00 H new ATOM 0 HD2 PHE A 132 4.007 13.647 -3.062 1.00 0.00 H new ATOM 0 HE1 PHE A 132 7.832 13.077 0.060 1.00 0.00 H new ATOM 0 HE2 PHE A 132 4.606 15.471 -1.486 1.00 0.00 H new ATOM 0 HZ PHE A 132 6.512 15.181 0.081 1.00 0.00 H new ATOM 666 N LEU A 133 4.568 9.845 -6.055 1.00 0.00 N ATOM 667 CA LEU A 133 4.226 8.667 -6.834 1.00 0.00 C ATOM 668 C LEU A 133 4.826 8.787 -8.238 1.00 0.00 C ATOM 669 O LEU A 133 5.157 9.882 -8.684 1.00 0.00 O ATOM 670 CB LEU A 133 2.693 8.538 -6.880 1.00 0.00 C ATOM 671 CG LEU A 133 2.257 7.171 -7.444 1.00 0.00 C ATOM 672 CD1 LEU A 133 2.901 6.029 -6.652 1.00 0.00 C ATOM 673 CD2 LEU A 133 0.736 7.050 -7.333 1.00 0.00 C ATOM 0 H LEU A 133 3.824 10.541 -6.000 1.00 0.00 H new ATOM 0 HA LEU A 133 4.638 7.768 -6.376 1.00 0.00 H new ATOM 0 HB2 LEU A 133 2.286 8.665 -5.877 1.00 0.00 H new ATOM 0 HB3 LEU A 133 2.278 9.336 -7.496 1.00 0.00 H new ATOM 0 HG LEU A 133 2.574 7.103 -8.485 1.00 0.00 H new ATOM 0 HD11 LEU A 133 2.580 5.073 -7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.986 6.107 -6.718 1.00 0.00 H new ATOM 0 HD13 LEU A 133 2.595 6.093 -5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 133 0.418 6.086 -7.730 1.00 0.00 H new ATOM 0 HD22 LEU A 133 0.440 7.127 -6.287 1.00 0.00 H new ATOM 0 HD23 LEU A 133 0.265 7.850 -7.903 1.00 0.00 H new