USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 448 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0186 (180deg=0) USER MOD Single : A 2 SER OG : rot 27:sc= 0.274 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 HIS :FLIP no HE2:sc= -0.0429 F(o=-0.7,f=-0.043) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.485 X(o=-0.49,f=-0.27) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0378 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 104:sc= 1.17 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.35 X(o=-0.35,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.427 X(o=-0.43,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0597 X(o=-0.06,f=0) USER MOD Single : A 52 GLN : amide:sc= 0.0329 K(o=0.033,f=-1.2!) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0125 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0231 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.340 30.037 -1.801 1.00 0.00 N ATOM 2 CA GLY A 1 3.942 29.191 -0.642 1.00 0.00 C ATOM 3 C GLY A 1 3.061 28.027 -1.050 1.00 0.00 C ATOM 4 O GLY A 1 2.305 28.120 -2.018 1.00 0.00 O ATOM 0 H1 GLY A 1 5.355 29.911 -1.990 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.794 29.755 -2.640 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.150 31.036 -1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.837 28.810 -0.150 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.413 29.805 0.087 1.00 0.00 H new ATOM 10 N SER A 2 3.158 26.926 -0.312 1.00 0.00 N ATOM 11 CA SER A 2 2.363 25.738 -0.602 1.00 0.00 C ATOM 12 C SER A 2 2.342 24.791 0.594 1.00 0.00 C ATOM 13 O SER A 2 3.389 24.347 1.064 1.00 0.00 O ATOM 14 CB SER A 2 2.920 25.015 -1.830 1.00 0.00 C ATOM 15 OG SER A 2 4.284 24.681 -1.651 1.00 0.00 O ATOM 0 H SER A 2 3.779 26.832 0.491 1.00 0.00 H new ATOM 0 HA SER A 2 1.341 26.056 -0.808 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.342 24.110 -2.016 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.810 25.649 -2.710 1.00 0.00 H new ATOM 0 HG SER A 2 4.471 24.572 -0.695 1.00 0.00 H new ATOM 21 N SER A 3 1.143 24.488 1.080 1.00 0.00 N ATOM 22 CA SER A 3 0.986 23.593 2.222 1.00 0.00 C ATOM 23 C SER A 3 -0.459 23.121 2.348 1.00 0.00 C ATOM 24 O SER A 3 -1.311 23.473 1.532 1.00 0.00 O ATOM 25 CB SER A 3 1.420 24.295 3.509 1.00 0.00 C ATOM 26 OG SER A 3 0.476 25.280 3.897 1.00 0.00 O ATOM 0 H SER A 3 0.267 24.848 0.702 1.00 0.00 H new ATOM 0 HA SER A 3 1.621 22.722 2.060 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.533 23.561 4.307 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.395 24.759 3.363 1.00 0.00 H new ATOM 0 HG SER A 3 0.776 25.713 4.723 1.00 0.00 H new ATOM 32 N GLY A 4 -0.727 22.322 3.375 1.00 0.00 N ATOM 33 CA GLY A 4 -2.070 21.815 3.589 1.00 0.00 C ATOM 34 C GLY A 4 -2.317 20.504 2.869 1.00 0.00 C ATOM 35 O GLY A 4 -1.516 19.574 2.967 1.00 0.00 O ATOM 0 H GLY A 4 -0.039 22.016 4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.237 21.676 4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.793 22.555 3.247 1.00 0.00 H new ATOM 39 N SER A 5 -3.429 20.429 2.145 1.00 0.00 N ATOM 40 CA SER A 5 -3.779 19.222 1.405 1.00 0.00 C ATOM 41 C SER A 5 -4.002 19.533 -0.071 1.00 0.00 C ATOM 42 O SER A 5 -4.813 18.888 -0.736 1.00 0.00 O ATOM 43 CB SER A 5 -5.036 18.583 1.999 1.00 0.00 C ATOM 44 OG SER A 5 -4.715 17.751 3.099 1.00 0.00 O ATOM 0 H SER A 5 -4.103 21.189 2.055 1.00 0.00 H new ATOM 0 HA SER A 5 -2.948 18.521 1.488 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.727 19.363 2.319 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.547 17.998 1.234 1.00 0.00 H new ATOM 0 HG SER A 5 -5.536 17.356 3.461 1.00 0.00 H new ATOM 50 N SER A 6 -3.275 20.524 -0.578 1.00 0.00 N ATOM 51 CA SER A 6 -3.393 20.920 -1.977 1.00 0.00 C ATOM 52 C SER A 6 -2.864 19.825 -2.898 1.00 0.00 C ATOM 53 O SER A 6 -2.029 19.014 -2.499 1.00 0.00 O ATOM 54 CB SER A 6 -2.631 22.224 -2.224 1.00 0.00 C ATOM 55 OG SER A 6 -3.498 23.343 -2.145 1.00 0.00 O ATOM 0 H SER A 6 -2.599 21.067 -0.041 1.00 0.00 H new ATOM 0 HA SER A 6 -4.449 21.076 -2.198 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.832 22.327 -1.490 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.160 22.193 -3.206 1.00 0.00 H new ATOM 0 HG SER A 6 -2.988 24.164 -2.305 1.00 0.00 H new ATOM 61 N GLY A 7 -3.358 19.807 -4.132 1.00 0.00 N ATOM 62 CA GLY A 7 -2.923 18.807 -5.090 1.00 0.00 C ATOM 63 C GLY A 7 -3.014 19.298 -6.521 1.00 0.00 C ATOM 64 O GLY A 7 -4.072 19.743 -6.966 1.00 0.00 O ATOM 0 H GLY A 7 -4.051 20.466 -4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.894 18.522 -4.871 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.533 17.911 -4.977 1.00 0.00 H new ATOM 68 N VAL A 8 -1.902 19.215 -7.244 1.00 0.00 N ATOM 69 CA VAL A 8 -1.860 19.655 -8.633 1.00 0.00 C ATOM 70 C VAL A 8 -2.735 18.771 -9.516 1.00 0.00 C ATOM 71 O VAL A 8 -2.264 17.788 -10.088 1.00 0.00 O ATOM 72 CB VAL A 8 -0.422 19.644 -9.184 1.00 0.00 C ATOM 73 CG1 VAL A 8 0.377 20.808 -8.616 1.00 0.00 C ATOM 74 CG2 VAL A 8 0.259 18.320 -8.872 1.00 0.00 C ATOM 0 H VAL A 8 -1.019 18.847 -6.891 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.241 20.676 -8.652 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.467 19.758 -10.267 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.390 20.784 -9.017 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.101 21.747 -8.894 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.414 20.728 -7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.274 18.331 -9.269 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.293 18.174 -7.792 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.302 17.506 -9.331 1.00 0.00 H new ATOM 84 N THR A 9 -4.011 19.128 -9.621 1.00 0.00 N ATOM 85 CA THR A 9 -4.952 18.366 -10.434 1.00 0.00 C ATOM 86 C THR A 9 -4.626 18.505 -11.918 1.00 0.00 C ATOM 87 O THR A 9 -5.250 19.293 -12.629 1.00 0.00 O ATOM 88 CB THR A 9 -6.383 18.834 -10.169 1.00 0.00 C ATOM 89 OG1 THR A 9 -6.684 18.768 -8.786 1.00 0.00 O ATOM 90 CG2 THR A 9 -7.426 18.020 -10.904 1.00 0.00 C ATOM 0 H THR A 9 -4.417 19.939 -9.154 1.00 0.00 H new ATOM 0 HA THR A 9 -4.864 17.315 -10.158 1.00 0.00 H new ATOM 0 HB THR A 9 -6.423 19.860 -10.534 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.603 19.073 -8.636 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.419 18.405 -10.671 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.252 18.090 -11.978 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.359 16.977 -10.593 1.00 0.00 H new ATOM 98 N TYR A 10 -3.643 17.736 -12.377 1.00 0.00 N ATOM 99 CA TYR A 10 -3.234 17.773 -13.777 1.00 0.00 C ATOM 100 C TYR A 10 -3.482 16.428 -14.451 1.00 0.00 C ATOM 101 O TYR A 10 -2.726 16.015 -15.330 1.00 0.00 O ATOM 102 CB TYR A 10 -1.754 18.150 -13.885 1.00 0.00 C ATOM 103 CG TYR A 10 -1.491 19.304 -14.827 1.00 0.00 C ATOM 104 CD1 TYR A 10 -1.866 20.600 -14.490 1.00 0.00 C ATOM 105 CD2 TYR A 10 -0.868 19.099 -16.051 1.00 0.00 C ATOM 106 CE1 TYR A 10 -1.628 21.656 -15.348 1.00 0.00 C ATOM 107 CE2 TYR A 10 -0.626 20.151 -16.914 1.00 0.00 C ATOM 108 CZ TYR A 10 -1.008 21.428 -16.558 1.00 0.00 C ATOM 109 OH TYR A 10 -0.769 22.478 -17.414 1.00 0.00 O ATOM 0 H TYR A 10 -3.116 17.080 -11.800 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.832 18.528 -14.287 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.380 18.408 -12.894 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.190 17.281 -14.222 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.351 20.784 -13.543 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.568 18.101 -16.333 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.927 22.657 -15.072 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.140 19.974 -17.862 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.324 22.147 -18.222 1.00 0.00 H new ATOM 119 N ASP A 11 -4.546 15.750 -14.035 1.00 0.00 N ATOM 120 CA ASP A 11 -4.894 14.452 -14.599 1.00 0.00 C ATOM 121 C ASP A 11 -3.769 13.445 -14.380 1.00 0.00 C ATOM 122 O ASP A 11 -3.053 13.085 -15.316 1.00 0.00 O ATOM 123 CB ASP A 11 -5.193 14.585 -16.094 1.00 0.00 C ATOM 124 CG ASP A 11 -6.253 13.608 -16.561 1.00 0.00 C ATOM 125 OD1 ASP A 11 -6.311 12.488 -16.013 1.00 0.00 O ATOM 126 OD2 ASP A 11 -7.026 13.963 -17.476 1.00 0.00 O ATOM 0 H ASP A 11 -5.182 16.078 -13.309 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.786 14.089 -14.089 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.522 15.602 -16.307 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.277 14.421 -16.661 1.00 0.00 H new ATOM 131 N ASP A 12 -3.617 12.994 -13.139 1.00 0.00 N ATOM 132 CA ASP A 12 -2.578 12.029 -12.799 1.00 0.00 C ATOM 133 C ASP A 12 -2.879 11.354 -11.464 1.00 0.00 C ATOM 134 O ASP A 12 -1.967 10.974 -10.729 1.00 0.00 O ATOM 135 CB ASP A 12 -1.212 12.717 -12.744 1.00 0.00 C ATOM 136 CG ASP A 12 -0.169 11.996 -13.575 1.00 0.00 C ATOM 137 OD1 ASP A 12 -0.362 10.795 -13.860 1.00 0.00 O ATOM 138 OD2 ASP A 12 0.841 12.633 -13.943 1.00 0.00 O ATOM 0 H ASP A 12 -4.200 13.281 -12.353 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.558 11.263 -13.575 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.310 13.743 -13.099 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.876 12.769 -11.709 1.00 0.00 H new ATOM 143 N VAL A 13 -4.163 11.207 -11.157 1.00 0.00 N ATOM 144 CA VAL A 13 -4.585 10.576 -9.912 1.00 0.00 C ATOM 145 C VAL A 13 -5.907 9.838 -10.090 1.00 0.00 C ATOM 146 O VAL A 13 -6.948 10.276 -9.599 1.00 0.00 O ATOM 147 CB VAL A 13 -4.732 11.611 -8.780 1.00 0.00 C ATOM 148 CG1 VAL A 13 -3.369 12.115 -8.333 1.00 0.00 C ATOM 149 CG2 VAL A 13 -5.616 12.767 -9.225 1.00 0.00 C ATOM 0 H VAL A 13 -4.930 11.516 -11.754 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.809 9.861 -9.640 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.209 11.124 -7.929 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.495 12.845 -7.533 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.773 11.278 -7.970 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.860 12.584 -9.175 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.708 13.488 -8.413 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.170 13.253 -10.093 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.604 12.389 -9.489 1.00 0.00 H new ATOM 159 N HIS A 14 -5.859 8.714 -10.797 1.00 0.00 N ATOM 160 CA HIS A 14 -7.054 7.913 -11.042 1.00 0.00 C ATOM 161 C HIS A 14 -7.020 6.623 -10.231 1.00 0.00 C ATOM 162 O HIS A 14 -7.545 5.594 -10.658 1.00 0.00 O ATOM 163 CB HIS A 14 -7.179 7.590 -12.532 1.00 0.00 C ATOM 164 CG HIS A 14 -8.582 7.289 -12.963 1.00 0.00 C ATOM 165 ND1 HIS A 14 -9.340 6.179 -12.802 1.00 0.00 N flip ATOM 166 CD2 HIS A 14 -9.369 8.191 -13.649 1.00 0.00 C flip ATOM 167 CE1 HIS A 14 -10.556 6.428 -13.388 1.00 0.00 C flip ATOM 168 NE2 HIS A 14 -10.549 7.648 -13.891 1.00 0.00 N flip ATOM 0 H HIS A 14 -5.006 8.337 -11.210 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.921 8.494 -10.729 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.802 8.433 -13.111 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -6.545 6.735 -12.765 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -9.060 5.318 -12.333 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -9.068 9.186 -13.942 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -11.385 5.737 -13.431 1.00 0.00 H new ATOM 176 N MET A 15 -6.398 6.683 -9.058 1.00 0.00 N ATOM 177 CA MET A 15 -6.296 5.518 -8.187 1.00 0.00 C ATOM 178 C MET A 15 -6.573 5.899 -6.736 1.00 0.00 C ATOM 179 O MET A 15 -6.025 5.301 -5.811 1.00 0.00 O ATOM 180 CB MET A 15 -4.906 4.888 -8.304 1.00 0.00 C ATOM 181 CG MET A 15 -4.577 4.399 -9.705 1.00 0.00 C ATOM 182 SD MET A 15 -5.331 2.805 -10.079 1.00 0.00 S ATOM 183 CE MET A 15 -4.076 1.685 -9.467 1.00 0.00 C ATOM 0 H MET A 15 -5.957 7.526 -8.689 1.00 0.00 H new ATOM 0 HA MET A 15 -7.045 4.792 -8.503 1.00 0.00 H new ATOM 0 HB2 MET A 15 -4.158 5.619 -7.998 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.836 4.051 -7.610 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.916 5.137 -10.432 1.00 0.00 H new ATOM 0 HG3 MET A 15 -3.495 4.319 -9.813 1.00 0.00 H new ATOM 0 HE1 MET A 15 -4.397 0.656 -9.627 1.00 0.00 H new ATOM 0 HE2 MET A 15 -3.141 1.860 -9.999 1.00 0.00 H new ATOM 0 HE3 MET A 15 -3.924 1.856 -8.401 1.00 0.00 H new ATOM 193 N ASN A 16 -7.429 6.898 -6.545 1.00 0.00 N ATOM 194 CA ASN A 16 -7.781 7.358 -5.206 1.00 0.00 C ATOM 195 C ASN A 16 -9.098 6.741 -4.747 1.00 0.00 C ATOM 196 O ASN A 16 -9.939 7.417 -4.153 1.00 0.00 O ATOM 197 CB ASN A 16 -7.881 8.885 -5.180 1.00 0.00 C ATOM 198 CG ASN A 16 -8.942 9.410 -6.127 1.00 0.00 C ATOM 199 OD1 ASN A 16 -10.104 9.569 -5.749 1.00 0.00 O ATOM 200 ND2 ASN A 16 -8.548 9.683 -7.365 1.00 0.00 N ATOM 0 H ASN A 16 -7.892 7.404 -7.300 1.00 0.00 H new ATOM 0 HA ASN A 16 -6.995 7.040 -4.521 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.108 9.214 -4.166 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.915 9.314 -5.446 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.218 10.040 -8.046 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.575 9.536 -7.635 1.00 0.00 H new ATOM 207 N PHE A 17 -9.272 5.454 -5.027 1.00 0.00 N ATOM 208 CA PHE A 17 -10.487 4.746 -4.642 1.00 0.00 C ATOM 209 C PHE A 17 -10.661 4.746 -3.127 1.00 0.00 C ATOM 210 O PHE A 17 -9.837 4.194 -2.397 1.00 0.00 O ATOM 211 CB PHE A 17 -10.451 3.308 -5.163 1.00 0.00 C ATOM 212 CG PHE A 17 -10.057 3.204 -6.609 1.00 0.00 C ATOM 213 CD1 PHE A 17 -10.934 3.592 -7.609 1.00 0.00 C ATOM 214 CD2 PHE A 17 -8.809 2.720 -6.967 1.00 0.00 C ATOM 215 CE1 PHE A 17 -10.575 3.497 -8.939 1.00 0.00 C ATOM 216 CE2 PHE A 17 -8.444 2.623 -8.297 1.00 0.00 C ATOM 217 CZ PHE A 17 -9.329 3.013 -9.284 1.00 0.00 C ATOM 0 H PHE A 17 -8.587 4.880 -5.519 1.00 0.00 H new ATOM 0 HA PHE A 17 -11.336 5.265 -5.086 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.750 2.729 -4.561 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.434 2.857 -5.029 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.910 3.973 -7.345 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.114 2.415 -6.199 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.269 3.801 -9.709 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.469 2.243 -8.564 1.00 0.00 H new ATOM 0 HZ PHE A 17 -9.046 2.939 -10.324 1.00 0.00 H new ATOM 227 N THR A 18 -11.738 5.369 -2.661 1.00 0.00 N ATOM 228 CA THR A 18 -12.021 5.443 -1.232 1.00 0.00 C ATOM 229 C THR A 18 -12.444 4.081 -0.691 1.00 0.00 C ATOM 230 O THR A 18 -12.458 3.088 -1.420 1.00 0.00 O ATOM 231 CB THR A 18 -13.118 6.474 -0.962 1.00 0.00 C ATOM 232 OG1 THR A 18 -14.063 6.488 -2.017 1.00 0.00 O ATOM 233 CG2 THR A 18 -12.587 7.883 -0.802 1.00 0.00 C ATOM 0 H THR A 18 -12.430 5.830 -3.252 1.00 0.00 H new ATOM 0 HA THR A 18 -11.109 5.750 -0.721 1.00 0.00 H new ATOM 0 HB THR A 18 -13.579 6.167 -0.023 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.758 7.152 -1.825 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.416 8.565 -0.613 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.891 7.917 0.036 1.00 0.00 H new ATOM 0 HG23 THR A 18 -12.071 8.183 -1.714 1.00 0.00 H new ATOM 241 N GLU A 19 -12.788 4.040 0.593 1.00 0.00 N ATOM 242 CA GLU A 19 -13.212 2.798 1.231 1.00 0.00 C ATOM 243 C GLU A 19 -14.430 2.214 0.524 1.00 0.00 C ATOM 244 O GLU A 19 -14.511 1.006 0.302 1.00 0.00 O ATOM 245 CB GLU A 19 -13.532 3.043 2.707 1.00 0.00 C ATOM 246 CG GLU A 19 -13.080 1.916 3.622 1.00 0.00 C ATOM 247 CD GLU A 19 -13.354 2.207 5.085 1.00 0.00 C ATOM 248 OE1 GLU A 19 -14.484 2.632 5.405 1.00 0.00 O ATOM 249 OE2 GLU A 19 -12.438 2.011 5.911 1.00 0.00 O ATOM 0 H GLU A 19 -12.781 4.851 1.211 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.394 2.082 1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -13.056 3.971 3.024 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.607 3.182 2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.589 0.995 3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.012 1.746 3.483 1.00 0.00 H new ATOM 256 N GLU A 20 -15.376 3.078 0.172 1.00 0.00 N ATOM 257 CA GLU A 20 -16.590 2.648 -0.512 1.00 0.00 C ATOM 258 C GLU A 20 -16.269 2.115 -1.904 1.00 0.00 C ATOM 259 O GLU A 20 -16.677 1.013 -2.268 1.00 0.00 O ATOM 260 CB GLU A 20 -17.582 3.809 -0.614 1.00 0.00 C ATOM 261 CG GLU A 20 -18.346 4.071 0.674 1.00 0.00 C ATOM 262 CD GLU A 20 -18.005 5.411 1.295 1.00 0.00 C ATOM 263 OE1 GLU A 20 -17.685 6.352 0.538 1.00 0.00 O ATOM 264 OE2 GLU A 20 -18.058 5.520 2.538 1.00 0.00 O ATOM 0 H GLU A 20 -15.325 4.081 0.349 1.00 0.00 H new ATOM 0 HA GLU A 20 -17.041 1.845 0.071 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -17.043 4.713 -0.897 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -18.294 3.599 -1.413 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -19.416 4.031 0.471 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.127 3.278 1.389 1.00 0.00 H new ATOM 271 N GLU A 21 -15.533 2.906 -2.678 1.00 0.00 N ATOM 272 CA GLU A 21 -15.156 2.514 -4.032 1.00 0.00 C ATOM 273 C GLU A 21 -14.325 1.234 -4.017 1.00 0.00 C ATOM 274 O GLU A 21 -14.374 0.440 -4.956 1.00 0.00 O ATOM 275 CB GLU A 21 -14.370 3.640 -4.710 1.00 0.00 C ATOM 276 CG GLU A 21 -15.191 4.437 -5.710 1.00 0.00 C ATOM 277 CD GLU A 21 -14.340 5.361 -6.558 1.00 0.00 C ATOM 278 OE1 GLU A 21 -13.942 6.432 -6.053 1.00 0.00 O ATOM 279 OE2 GLU A 21 -14.069 5.013 -7.727 1.00 0.00 O ATOM 0 H GLU A 21 -15.186 3.821 -2.392 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.069 2.325 -4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.987 4.316 -3.946 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.506 3.213 -5.220 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.733 3.750 -6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.937 5.025 -5.175 1.00 0.00 H new ATOM 286 N TRP A 22 -13.565 1.041 -2.943 1.00 0.00 N ATOM 287 CA TRP A 22 -12.723 -0.143 -2.805 1.00 0.00 C ATOM 288 C TRP A 22 -13.555 -1.419 -2.907 1.00 0.00 C ATOM 289 O TRP A 22 -13.066 -2.456 -3.354 1.00 0.00 O ATOM 290 CB TRP A 22 -11.978 -0.111 -1.469 1.00 0.00 C ATOM 291 CG TRP A 22 -10.956 -1.198 -1.333 1.00 0.00 C ATOM 292 CD1 TRP A 22 -10.986 -2.245 -0.458 1.00 0.00 C ATOM 293 CD2 TRP A 22 -9.751 -1.344 -2.093 1.00 0.00 C ATOM 294 NE1 TRP A 22 -9.874 -3.035 -0.627 1.00 0.00 N ATOM 295 CE2 TRP A 22 -9.101 -2.502 -1.626 1.00 0.00 C ATOM 296 CE3 TRP A 22 -9.159 -0.608 -3.124 1.00 0.00 C ATOM 297 CZ2 TRP A 22 -7.889 -2.940 -2.154 1.00 0.00 C ATOM 298 CZ3 TRP A 22 -7.957 -1.045 -3.648 1.00 0.00 C ATOM 299 CH2 TRP A 22 -7.333 -2.201 -3.162 1.00 0.00 C ATOM 0 H TRP A 22 -13.515 1.688 -2.156 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.997 -0.139 -3.618 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.487 0.856 -1.358 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.700 -0.197 -0.657 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -11.770 -2.426 0.263 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -9.659 -3.879 -0.096 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -9.632 0.285 -3.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -7.406 -3.831 -1.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.491 -0.486 -4.446 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.393 -2.515 -3.592 1.00 0.00 H new ATOM 310 N ASP A 23 -14.813 -1.334 -2.488 1.00 0.00 N ATOM 311 CA ASP A 23 -15.713 -2.481 -2.532 1.00 0.00 C ATOM 312 C ASP A 23 -16.380 -2.600 -3.900 1.00 0.00 C ATOM 313 O ASP A 23 -16.775 -3.690 -4.315 1.00 0.00 O ATOM 314 CB ASP A 23 -16.777 -2.363 -1.439 1.00 0.00 C ATOM 315 CG ASP A 23 -16.422 -3.159 -0.199 1.00 0.00 C ATOM 316 OD1 ASP A 23 -15.216 -3.367 0.049 1.00 0.00 O ATOM 317 OD2 ASP A 23 -17.352 -3.575 0.526 1.00 0.00 O ATOM 0 H ASP A 23 -15.233 -0.483 -2.114 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.123 -3.381 -2.358 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.903 -1.314 -1.170 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -17.734 -2.710 -1.828 1.00 0.00 H new ATOM 322 N LEU A 24 -16.503 -1.474 -4.596 1.00 0.00 N ATOM 323 CA LEU A 24 -17.123 -1.456 -5.917 1.00 0.00 C ATOM 324 C LEU A 24 -16.074 -1.563 -7.021 1.00 0.00 C ATOM 325 O LEU A 24 -16.332 -1.206 -8.171 1.00 0.00 O ATOM 326 CB LEU A 24 -17.942 -0.177 -6.101 1.00 0.00 C ATOM 327 CG LEU A 24 -18.725 0.276 -4.868 1.00 0.00 C ATOM 328 CD1 LEU A 24 -18.930 1.783 -4.890 1.00 0.00 C ATOM 329 CD2 LEU A 24 -20.063 -0.444 -4.794 1.00 0.00 C ATOM 0 H LEU A 24 -16.182 -0.563 -4.268 1.00 0.00 H new ATOM 0 HA LEU A 24 -17.784 -2.320 -5.988 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -17.269 0.627 -6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -18.643 -0.328 -6.922 1.00 0.00 H new ATOM 0 HG LEU A 24 -18.147 0.021 -3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -19.489 2.087 -4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -17.961 2.282 -4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -19.487 2.061 -5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -20.608 -0.110 -3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -20.647 -0.220 -5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -19.895 -1.519 -4.731 1.00 0.00 H new ATOM 341 N LEU A 25 -14.890 -2.056 -6.669 1.00 0.00 N ATOM 342 CA LEU A 25 -13.808 -2.208 -7.633 1.00 0.00 C ATOM 343 C LEU A 25 -13.793 -3.617 -8.217 1.00 0.00 C ATOM 344 O LEU A 25 -14.650 -4.440 -7.899 1.00 0.00 O ATOM 345 CB LEU A 25 -12.462 -1.901 -6.974 1.00 0.00 C ATOM 346 CG LEU A 25 -12.035 -0.433 -7.026 1.00 0.00 C ATOM 347 CD1 LEU A 25 -10.669 -0.252 -6.384 1.00 0.00 C ATOM 348 CD2 LEU A 25 -12.022 0.065 -8.464 1.00 0.00 C ATOM 0 H LEU A 25 -14.657 -2.357 -5.723 1.00 0.00 H new ATOM 0 HA LEU A 25 -13.976 -1.500 -8.445 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.506 -2.214 -5.931 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.693 -2.505 -7.456 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.758 0.158 -6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.382 0.798 -6.430 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.711 -0.571 -5.343 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.933 -0.853 -6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.716 1.111 -8.484 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.320 -0.530 -9.049 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.021 -0.029 -8.891 1.00 0.00 H new ATOM 360 N ASP A 26 -12.812 -3.887 -9.072 1.00 0.00 N ATOM 361 CA ASP A 26 -12.685 -5.196 -9.701 1.00 0.00 C ATOM 362 C ASP A 26 -11.588 -6.018 -9.029 1.00 0.00 C ATOM 363 O ASP A 26 -10.770 -5.484 -8.281 1.00 0.00 O ATOM 364 CB ASP A 26 -12.382 -5.042 -11.192 1.00 0.00 C ATOM 365 CG ASP A 26 -13.638 -4.859 -12.021 1.00 0.00 C ATOM 366 OD1 ASP A 26 -14.317 -3.825 -11.847 1.00 0.00 O ATOM 367 OD2 ASP A 26 -13.942 -5.747 -12.844 1.00 0.00 O ATOM 0 H ASP A 26 -12.093 -3.216 -9.345 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.633 -5.722 -9.583 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.724 -4.185 -11.340 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.843 -5.922 -11.543 1.00 0.00 H new ATOM 372 N SER A 27 -11.580 -7.318 -9.304 1.00 0.00 N ATOM 373 CA SER A 27 -10.584 -8.214 -8.727 1.00 0.00 C ATOM 374 C SER A 27 -9.172 -7.780 -9.110 1.00 0.00 C ATOM 375 O SER A 27 -8.219 -8.000 -8.361 1.00 0.00 O ATOM 376 CB SER A 27 -10.831 -9.651 -9.190 1.00 0.00 C ATOM 377 OG SER A 27 -11.660 -10.347 -8.275 1.00 0.00 O ATOM 0 H SER A 27 -12.251 -7.774 -9.922 1.00 0.00 H new ATOM 0 HA SER A 27 -10.677 -8.167 -7.642 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.298 -9.644 -10.175 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.879 -10.172 -9.292 1.00 0.00 H new ATOM 0 HG SER A 27 -11.804 -11.262 -8.595 1.00 0.00 H new ATOM 383 N SER A 28 -9.045 -7.163 -10.280 1.00 0.00 N ATOM 384 CA SER A 28 -7.749 -6.699 -10.761 1.00 0.00 C ATOM 385 C SER A 28 -7.361 -5.381 -10.098 1.00 0.00 C ATOM 386 O SER A 28 -6.188 -5.144 -9.805 1.00 0.00 O ATOM 387 CB SER A 28 -7.778 -6.527 -12.282 1.00 0.00 C ATOM 388 OG SER A 28 -6.486 -6.694 -12.839 1.00 0.00 O ATOM 0 H SER A 28 -9.823 -6.973 -10.912 1.00 0.00 H new ATOM 0 HA SER A 28 -7.003 -7.450 -10.500 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.463 -7.253 -12.720 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.160 -5.537 -12.532 1.00 0.00 H new ATOM 0 HG SER A 28 -6.532 -6.581 -13.811 1.00 0.00 H new ATOM 394 N GLN A 29 -8.352 -4.528 -9.862 1.00 0.00 N ATOM 395 CA GLN A 29 -8.113 -3.234 -9.233 1.00 0.00 C ATOM 396 C GLN A 29 -7.659 -3.408 -7.787 1.00 0.00 C ATOM 397 O GLN A 29 -6.699 -2.777 -7.346 1.00 0.00 O ATOM 398 CB GLN A 29 -9.379 -2.377 -9.281 1.00 0.00 C ATOM 399 CG GLN A 29 -9.990 -2.272 -10.668 1.00 0.00 C ATOM 400 CD GLN A 29 -9.415 -1.123 -11.472 1.00 0.00 C ATOM 401 OE1 GLN A 29 -9.867 0.091 -11.177 1.00 0.00 O flip ATOM 402 NE2 GLN A 29 -8.576 -1.323 -12.350 1.00 0.00 N flip ATOM 0 H GLN A 29 -9.328 -4.709 -10.097 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.321 -2.731 -9.787 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.118 -2.797 -8.598 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.144 -1.376 -8.920 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.824 -3.206 -11.206 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.069 -2.143 -10.577 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.257 -2.272 -12.544 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.200 -0.540 -12.884 1.00 0.00 H new ATOM 411 N LYS A 30 -8.357 -4.269 -7.053 1.00 0.00 N ATOM 412 CA LYS A 30 -8.027 -4.529 -5.657 1.00 0.00 C ATOM 413 C LYS A 30 -6.602 -5.057 -5.523 1.00 0.00 C ATOM 414 O LYS A 30 -5.940 -4.836 -4.508 1.00 0.00 O ATOM 415 CB LYS A 30 -9.017 -5.530 -5.058 1.00 0.00 C ATOM 416 CG LYS A 30 -10.068 -4.887 -4.169 1.00 0.00 C ATOM 417 CD LYS A 30 -10.868 -5.933 -3.410 1.00 0.00 C ATOM 418 CE LYS A 30 -11.903 -5.291 -2.499 1.00 0.00 C ATOM 419 NZ LYS A 30 -12.259 -6.174 -1.353 1.00 0.00 N ATOM 0 H LYS A 30 -9.155 -4.799 -7.403 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.096 -3.589 -5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.515 -6.065 -5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.466 -6.271 -4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.585 -4.212 -3.462 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.741 -4.283 -4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.366 -6.596 -4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.192 -6.550 -2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.517 -4.344 -2.121 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.801 -5.063 -3.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.967 -5.700 -0.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.651 -7.068 -1.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.408 -6.372 -0.789 1.00 0.00 H new ATOM 433 N ARG A 31 -6.135 -5.755 -6.553 1.00 0.00 N ATOM 434 CA ARG A 31 -4.789 -6.315 -6.549 1.00 0.00 C ATOM 435 C ARG A 31 -3.779 -5.312 -7.098 1.00 0.00 C ATOM 436 O ARG A 31 -2.617 -5.301 -6.695 1.00 0.00 O ATOM 437 CB ARG A 31 -4.746 -7.602 -7.375 1.00 0.00 C ATOM 438 CG ARG A 31 -3.665 -8.574 -6.931 1.00 0.00 C ATOM 439 CD ARG A 31 -3.040 -9.296 -8.114 1.00 0.00 C ATOM 440 NE ARG A 31 -3.035 -10.745 -7.931 1.00 0.00 N ATOM 441 CZ ARG A 31 -2.174 -11.390 -7.146 1.00 0.00 C ATOM 442 NH1 ARG A 31 -1.248 -10.718 -6.472 1.00 0.00 N ATOM 443 NH2 ARG A 31 -2.237 -12.710 -7.037 1.00 0.00 N ATOM 0 H ARG A 31 -6.669 -5.946 -7.401 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.522 -6.544 -5.517 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.715 -8.096 -7.313 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.585 -7.346 -8.422 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.892 -8.034 -6.384 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.092 -9.304 -6.243 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.590 -9.047 -9.022 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.018 -8.945 -8.254 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.732 -11.295 -8.434 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.194 -9.703 -6.554 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.591 -11.217 -5.872 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.945 -13.231 -7.554 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.578 -13.204 -6.436 1.00 0.00 H new ATOM 457 N LEU A 32 -4.232 -4.470 -8.022 1.00 0.00 N ATOM 458 CA LEU A 32 -3.368 -3.463 -8.626 1.00 0.00 C ATOM 459 C LEU A 32 -2.994 -2.390 -7.613 1.00 0.00 C ATOM 460 O LEU A 32 -1.826 -2.023 -7.481 1.00 0.00 O ATOM 461 CB LEU A 32 -4.063 -2.826 -9.829 1.00 0.00 C ATOM 462 CG LEU A 32 -3.971 -3.630 -11.127 1.00 0.00 C ATOM 463 CD1 LEU A 32 -5.234 -3.453 -11.956 1.00 0.00 C ATOM 464 CD2 LEU A 32 -2.744 -3.215 -11.924 1.00 0.00 C ATOM 0 H LEU A 32 -5.191 -4.466 -8.368 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.454 -3.954 -8.960 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.115 -2.677 -9.585 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.632 -1.839 -9.999 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.874 -4.686 -10.873 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.150 -4.032 -12.875 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.095 -3.801 -11.386 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.363 -2.399 -12.202 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.694 -3.797 -12.844 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.810 -2.155 -12.168 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.847 -3.395 -11.331 1.00 0.00 H new ATOM 476 N TYR A 33 -3.993 -1.895 -6.896 1.00 0.00 N ATOM 477 CA TYR A 33 -3.775 -0.866 -5.887 1.00 0.00 C ATOM 478 C TYR A 33 -2.931 -1.406 -4.738 1.00 0.00 C ATOM 479 O TYR A 33 -2.198 -0.662 -4.087 1.00 0.00 O ATOM 480 CB TYR A 33 -5.114 -0.355 -5.353 1.00 0.00 C ATOM 481 CG TYR A 33 -4.979 0.778 -4.360 1.00 0.00 C ATOM 482 CD1 TYR A 33 -4.804 0.523 -3.006 1.00 0.00 C ATOM 483 CD2 TYR A 33 -5.024 2.102 -4.779 1.00 0.00 C ATOM 484 CE1 TYR A 33 -4.680 1.555 -2.096 1.00 0.00 C ATOM 485 CE2 TYR A 33 -4.899 3.140 -3.874 1.00 0.00 C ATOM 486 CZ TYR A 33 -4.728 2.861 -2.535 1.00 0.00 C ATOM 487 OH TYR A 33 -4.604 3.892 -1.632 1.00 0.00 O ATOM 0 H TYR A 33 -4.965 -2.190 -6.994 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.239 -0.040 -6.354 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.726 -0.021 -6.191 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.645 -1.180 -4.879 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.764 -0.499 -2.659 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.159 2.324 -5.827 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.546 1.340 -1.046 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.935 4.164 -4.215 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.658 4.749 -2.104 1.00 0.00 H new ATOM 497 N GLU A 34 -3.040 -2.708 -4.496 1.00 0.00 N ATOM 498 CA GLU A 34 -2.287 -3.352 -3.426 1.00 0.00 C ATOM 499 C GLU A 34 -0.874 -3.697 -3.886 1.00 0.00 C ATOM 500 O GLU A 34 0.061 -3.719 -3.086 1.00 0.00 O ATOM 501 CB GLU A 34 -3.009 -4.619 -2.959 1.00 0.00 C ATOM 502 CG GLU A 34 -3.780 -4.436 -1.661 1.00 0.00 C ATOM 503 CD GLU A 34 -3.592 -5.596 -0.703 1.00 0.00 C ATOM 504 OE1 GLU A 34 -2.431 -5.896 -0.354 1.00 0.00 O ATOM 505 OE2 GLU A 34 -4.606 -6.205 -0.301 1.00 0.00 O ATOM 0 H GLU A 34 -3.642 -3.338 -5.026 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.217 -2.653 -2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.698 -4.943 -3.739 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.278 -5.417 -2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.457 -3.514 -1.177 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.841 -4.323 -1.885 1.00 0.00 H new ATOM 512 N GLU A 35 -0.725 -3.966 -5.180 1.00 0.00 N ATOM 513 CA GLU A 35 0.574 -4.309 -5.745 1.00 0.00 C ATOM 514 C GLU A 35 1.588 -3.197 -5.498 1.00 0.00 C ATOM 515 O GLU A 35 2.784 -3.453 -5.363 1.00 0.00 O ATOM 516 CB GLU A 35 0.445 -4.573 -7.247 1.00 0.00 C ATOM 517 CG GLU A 35 0.092 -6.013 -7.582 1.00 0.00 C ATOM 518 CD GLU A 35 1.286 -6.804 -8.082 1.00 0.00 C ATOM 519 OE1 GLU A 35 2.327 -6.807 -7.393 1.00 0.00 O ATOM 520 OE2 GLU A 35 1.178 -7.422 -9.163 1.00 0.00 O ATOM 0 H GLU A 35 -1.489 -3.953 -5.856 1.00 0.00 H new ATOM 0 HA GLU A 35 0.929 -5.214 -5.252 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.320 -3.915 -7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.385 -4.315 -7.735 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.316 -6.499 -6.696 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.691 -6.025 -8.341 1.00 0.00 H new ATOM 527 N VAL A 36 1.103 -1.961 -5.441 1.00 0.00 N ATOM 528 CA VAL A 36 1.968 -0.810 -5.209 1.00 0.00 C ATOM 529 C VAL A 36 2.090 -0.505 -3.720 1.00 0.00 C ATOM 530 O VAL A 36 3.119 -0.010 -3.260 1.00 0.00 O ATOM 531 CB VAL A 36 1.443 0.442 -5.936 1.00 0.00 C ATOM 532 CG1 VAL A 36 1.575 0.280 -7.442 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.001 0.720 -5.545 1.00 0.00 C ATOM 0 H VAL A 36 0.116 -1.731 -5.552 1.00 0.00 H new ATOM 0 HA VAL A 36 2.950 -1.067 -5.606 1.00 0.00 H new ATOM 0 HB VAL A 36 2.048 1.297 -5.633 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.199 1.175 -7.939 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.624 0.134 -7.702 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.997 -0.585 -7.767 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.355 1.608 -6.068 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.622 -0.133 -5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.061 0.885 -4.469 1.00 0.00 H new ATOM 543 N MET A 37 1.033 -0.803 -2.972 1.00 0.00 N ATOM 544 CA MET A 37 1.022 -0.561 -1.533 1.00 0.00 C ATOM 545 C MET A 37 2.001 -1.486 -0.819 1.00 0.00 C ATOM 546 O MET A 37 2.576 -1.124 0.209 1.00 0.00 O ATOM 547 CB MET A 37 -0.388 -0.758 -0.972 1.00 0.00 C ATOM 548 CG MET A 37 -1.192 0.529 -0.882 1.00 0.00 C ATOM 549 SD MET A 37 -2.242 0.590 0.583 1.00 0.00 S ATOM 550 CE MET A 37 -1.216 1.548 1.696 1.00 0.00 C ATOM 0 H MET A 37 0.173 -1.212 -3.338 1.00 0.00 H new ATOM 0 HA MET A 37 1.333 0.469 -1.360 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.924 -1.468 -1.601 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.316 -1.202 0.021 1.00 0.00 H new ATOM 0 HG2 MET A 37 -0.510 1.379 -0.871 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.812 0.629 -1.773 1.00 0.00 H new ATOM 0 HE1 MET A 37 -1.730 1.672 2.649 1.00 0.00 H new ATOM 0 HE2 MET A 37 -0.272 1.028 1.858 1.00 0.00 H new ATOM 0 HE3 MET A 37 -1.021 2.527 1.259 1.00 0.00 H new ATOM 560 N LEU A 38 2.187 -2.683 -1.368 1.00 0.00 N ATOM 561 CA LEU A 38 3.097 -3.660 -0.781 1.00 0.00 C ATOM 562 C LEU A 38 4.550 -3.251 -1.002 1.00 0.00 C ATOM 563 O LEU A 38 5.357 -3.265 -0.072 1.00 0.00 O ATOM 564 CB LEU A 38 2.848 -5.045 -1.383 1.00 0.00 C ATOM 565 CG LEU A 38 1.497 -5.669 -1.031 1.00 0.00 C ATOM 566 CD1 LEU A 38 1.332 -7.010 -1.729 1.00 0.00 C ATOM 567 CD2 LEU A 38 1.361 -5.829 0.475 1.00 0.00 C ATOM 0 H LEU A 38 1.720 -2.999 -2.218 1.00 0.00 H new ATOM 0 HA LEU A 38 2.908 -3.698 0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.926 -4.973 -2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.639 -5.717 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 38 0.708 -5.002 -1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.365 -7.440 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.386 -6.867 -2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.127 -7.685 -1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.394 -6.274 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.157 -6.475 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.435 -4.852 0.953 1.00 0.00 H new ATOM 579 N GLU A 39 4.877 -2.888 -2.238 1.00 0.00 N ATOM 580 CA GLU A 39 6.232 -2.475 -2.580 1.00 0.00 C ATOM 581 C GLU A 39 6.614 -1.193 -1.846 1.00 0.00 C ATOM 582 O GLU A 39 7.781 -0.977 -1.519 1.00 0.00 O ATOM 583 CB GLU A 39 6.358 -2.271 -4.092 1.00 0.00 C ATOM 584 CG GLU A 39 7.279 -3.276 -4.766 1.00 0.00 C ATOM 585 CD GLU A 39 7.913 -2.729 -6.030 1.00 0.00 C ATOM 586 OE1 GLU A 39 8.397 -1.577 -6.002 1.00 0.00 O ATOM 587 OE2 GLU A 39 7.927 -3.453 -7.048 1.00 0.00 O ATOM 0 H GLU A 39 4.221 -2.872 -3.019 1.00 0.00 H new ATOM 0 HA GLU A 39 6.916 -3.265 -2.269 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.368 -2.338 -4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.729 -1.264 -4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.063 -3.570 -4.068 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.714 -4.176 -5.008 1.00 0.00 H new ATOM 594 N THR A 40 5.622 -0.347 -1.589 1.00 0.00 N ATOM 595 CA THR A 40 5.854 0.914 -0.893 1.00 0.00 C ATOM 596 C THR A 40 5.566 0.773 0.599 1.00 0.00 C ATOM 597 O THR A 40 4.950 1.649 1.208 1.00 0.00 O ATOM 598 CB THR A 40 4.983 2.019 -1.493 1.00 0.00 C ATOM 599 OG1 THR A 40 4.784 1.804 -2.879 1.00 0.00 O ATOM 600 CG2 THR A 40 5.571 3.403 -1.323 1.00 0.00 C ATOM 0 H THR A 40 4.650 -0.511 -1.852 1.00 0.00 H new ATOM 0 HA THR A 40 6.903 1.182 -1.017 1.00 0.00 H new ATOM 0 HB THR A 40 4.041 1.972 -0.947 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.880 1.458 -3.030 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.904 4.139 -1.771 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.691 3.620 -0.261 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.543 3.448 -1.814 1.00 0.00 H new ATOM 608 N TYR A 41 6.015 -0.333 1.181 1.00 0.00 N ATOM 609 CA TYR A 41 5.806 -0.588 2.602 1.00 0.00 C ATOM 610 C TYR A 41 6.628 -1.787 3.065 1.00 0.00 C ATOM 611 O TYR A 41 7.525 -1.653 3.898 1.00 0.00 O ATOM 612 CB TYR A 41 4.322 -0.828 2.885 1.00 0.00 C ATOM 613 CG TYR A 41 3.801 -0.060 4.080 1.00 0.00 C ATOM 614 CD1 TYR A 41 3.449 1.280 3.968 1.00 0.00 C ATOM 615 CD2 TYR A 41 3.662 -0.674 5.318 1.00 0.00 C ATOM 616 CE1 TYR A 41 2.973 1.985 5.056 1.00 0.00 C ATOM 617 CE2 TYR A 41 3.185 0.025 6.411 1.00 0.00 C ATOM 618 CZ TYR A 41 2.843 1.354 6.275 1.00 0.00 C ATOM 619 OH TYR A 41 2.369 2.053 7.361 1.00 0.00 O ATOM 0 H TYR A 41 6.526 -1.068 0.691 1.00 0.00 H new ATOM 0 HA TYR A 41 6.135 0.290 3.157 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.743 -0.550 2.004 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.160 -1.893 3.049 1.00 0.00 H new ATOM 0 HD1 TYR A 41 3.549 1.778 3.015 1.00 0.00 H new ATOM 0 HD2 TYR A 41 3.931 -1.714 5.428 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.704 3.026 4.952 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.081 -0.467 7.367 1.00 0.00 H new ATOM 0 HH TYR A 41 2.337 1.462 8.142 1.00 0.00 H new ATOM 629 N GLN A 42 6.317 -2.958 2.519 1.00 0.00 N ATOM 630 CA GLN A 42 7.027 -4.181 2.875 1.00 0.00 C ATOM 631 C GLN A 42 8.519 -4.043 2.594 1.00 0.00 C ATOM 632 O GLN A 42 9.351 -4.624 3.292 1.00 0.00 O ATOM 633 CB GLN A 42 6.458 -5.371 2.100 1.00 0.00 C ATOM 634 CG GLN A 42 5.366 -6.119 2.848 1.00 0.00 C ATOM 635 CD GLN A 42 4.985 -7.422 2.173 1.00 0.00 C ATOM 636 OE1 GLN A 42 4.924 -8.472 2.812 1.00 0.00 O ATOM 637 NE2 GLN A 42 4.724 -7.359 0.871 1.00 0.00 N ATOM 0 H GLN A 42 5.578 -3.086 1.828 1.00 0.00 H new ATOM 0 HA GLN A 42 6.890 -4.354 3.942 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.059 -5.017 1.149 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.267 -6.063 1.868 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.702 -6.325 3.864 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.484 -5.483 2.927 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.787 -6.467 0.381 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.461 -8.203 0.362 1.00 0.00 H new ATOM 646 N ASN A 43 8.851 -3.268 1.565 1.00 0.00 N ATOM 647 CA ASN A 43 10.243 -3.049 1.190 1.00 0.00 C ATOM 648 C ASN A 43 10.852 -1.899 1.988 1.00 0.00 C ATOM 649 O ASN A 43 12.072 -1.809 2.130 1.00 0.00 O ATOM 650 CB ASN A 43 10.346 -2.757 -0.308 1.00 0.00 C ATOM 651 CG ASN A 43 10.190 -4.006 -1.153 1.00 0.00 C ATOM 652 OD1 ASN A 43 11.113 -4.409 -1.862 1.00 0.00 O ATOM 653 ND2 ASN A 43 9.018 -4.625 -1.084 1.00 0.00 N ATOM 0 H ASN A 43 8.174 -2.782 0.977 1.00 0.00 H new ATOM 0 HA ASN A 43 10.801 -3.957 1.418 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.580 -2.034 -0.588 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.311 -2.296 -0.520 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.854 -5.470 -1.632 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.281 -4.256 -0.483 1.00 0.00 H new ATOM 660 N LEU A 44 9.998 -1.022 2.507 1.00 0.00 N ATOM 661 CA LEU A 44 10.457 0.121 3.290 1.00 0.00 C ATOM 662 C LEU A 44 10.530 -0.230 4.774 1.00 0.00 C ATOM 663 O LEU A 44 10.014 0.498 5.621 1.00 0.00 O ATOM 664 CB LEU A 44 9.528 1.322 3.083 1.00 0.00 C ATOM 665 CG LEU A 44 8.823 1.378 1.725 1.00 0.00 C ATOM 666 CD1 LEU A 44 8.006 2.655 1.600 1.00 0.00 C ATOM 667 CD2 LEU A 44 9.836 1.279 0.594 1.00 0.00 C ATOM 0 H LEU A 44 8.985 -1.081 2.400 1.00 0.00 H new ATOM 0 HA LEU A 44 11.457 0.384 2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.771 1.314 3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.109 2.236 3.210 1.00 0.00 H new ATOM 0 HG LEU A 44 8.144 0.528 1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.512 2.677 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.255 2.685 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.664 3.519 1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.317 1.320 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.539 2.109 0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.378 0.337 0.673 1.00 0.00 H new ATOM 679 N THR A 45 11.174 -1.351 5.081 1.00 0.00 N ATOM 680 CA THR A 45 11.315 -1.800 6.462 1.00 0.00 C ATOM 681 C THR A 45 12.404 -1.016 7.193 1.00 0.00 C ATOM 682 O THR A 45 12.562 -1.146 8.407 1.00 0.00 O ATOM 683 CB THR A 45 11.633 -3.294 6.503 1.00 0.00 C ATOM 684 OG1 THR A 45 10.719 -4.025 5.705 1.00 0.00 O ATOM 685 CG2 THR A 45 11.592 -3.877 7.900 1.00 0.00 C ATOM 0 H THR A 45 11.607 -1.966 4.392 1.00 0.00 H new ATOM 0 HA THR A 45 10.367 -1.620 6.969 1.00 0.00 H new ATOM 0 HB THR A 45 12.649 -3.383 6.119 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.941 -4.979 5.744 1.00 0.00 H new ATOM 0 HG21 THR A 45 11.827 -4.941 7.857 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.324 -3.369 8.528 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.596 -3.742 8.321 1.00 0.00 H new ATOM 693 N ASP A 46 13.156 -0.205 6.451 1.00 0.00 N ATOM 694 CA ASP A 46 14.227 0.593 7.039 1.00 0.00 C ATOM 695 C ASP A 46 15.326 -0.304 7.599 1.00 0.00 C ATOM 696 O ASP A 46 15.451 -0.467 8.812 1.00 0.00 O ATOM 697 CB ASP A 46 13.676 1.497 8.143 1.00 0.00 C ATOM 698 CG ASP A 46 14.575 2.685 8.421 1.00 0.00 C ATOM 699 OD1 ASP A 46 15.795 2.480 8.593 1.00 0.00 O ATOM 700 OD2 ASP A 46 14.061 3.823 8.464 1.00 0.00 O ATOM 0 H ASP A 46 13.043 -0.084 5.445 1.00 0.00 H new ATOM 0 HA ASP A 46 14.655 1.216 6.253 1.00 0.00 H new ATOM 0 HB2 ASP A 46 12.686 1.853 7.857 1.00 0.00 H new ATOM 0 HB3 ASP A 46 13.554 0.916 9.057 1.00 0.00 H new ATOM 705 N ILE A 47 16.121 -0.884 6.705 1.00 0.00 N ATOM 706 CA ILE A 47 17.210 -1.766 7.108 1.00 0.00 C ATOM 707 C ILE A 47 18.540 -1.019 7.133 1.00 0.00 C ATOM 708 O ILE A 47 19.588 -1.584 6.818 1.00 0.00 O ATOM 709 CB ILE A 47 17.332 -2.978 6.164 1.00 0.00 C ATOM 710 CG1 ILE A 47 15.953 -3.589 5.899 1.00 0.00 C ATOM 711 CG2 ILE A 47 18.273 -4.019 6.754 1.00 0.00 C ATOM 712 CD1 ILE A 47 15.973 -4.703 4.875 1.00 0.00 C ATOM 0 H ILE A 47 16.031 -0.759 5.697 1.00 0.00 H new ATOM 0 HA ILE A 47 16.975 -2.120 8.112 1.00 0.00 H new ATOM 0 HB ILE A 47 17.747 -2.638 5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.549 -3.974 6.835 1.00 0.00 H new ATOM 0 HG13 ILE A 47 15.276 -2.805 5.558 1.00 0.00 H new ATOM 0 HG21 ILE A 47 18.348 -4.868 6.075 1.00 0.00 H new ATOM 0 HG22 ILE A 47 19.260 -3.579 6.895 1.00 0.00 H new ATOM 0 HG23 ILE A 47 17.886 -4.356 7.715 1.00 0.00 H new ATOM 0 HD11 ILE A 47 14.963 -5.089 4.737 1.00 0.00 H new ATOM 0 HD12 ILE A 47 16.347 -4.318 3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 47 16.624 -5.505 5.223 1.00 0.00 H new ATOM 724 N GLY A 48 18.490 0.256 7.509 1.00 0.00 N ATOM 725 CA GLY A 48 19.696 1.059 7.569 1.00 0.00 C ATOM 726 C GLY A 48 19.677 2.048 8.717 1.00 0.00 C ATOM 727 O GLY A 48 18.710 2.790 8.891 1.00 0.00 O ATOM 0 H GLY A 48 17.635 0.746 7.773 1.00 0.00 H new ATOM 0 HA2 GLY A 48 20.561 0.403 7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.816 1.599 6.630 1.00 0.00 H new ATOM 731 N TYR A 49 20.748 2.057 9.505 1.00 0.00 N ATOM 732 CA TYR A 49 20.851 2.962 10.644 1.00 0.00 C ATOM 733 C TYR A 49 19.735 2.699 11.650 1.00 0.00 C ATOM 734 O TYR A 49 18.566 2.976 11.383 1.00 0.00 O ATOM 735 CB TYR A 49 20.797 4.417 10.172 1.00 0.00 C ATOM 736 CG TYR A 49 21.817 5.310 10.843 1.00 0.00 C ATOM 737 CD1 TYR A 49 21.545 5.910 12.066 1.00 0.00 C ATOM 738 CD2 TYR A 49 23.051 5.553 10.252 1.00 0.00 C ATOM 739 CE1 TYR A 49 22.475 6.726 12.682 1.00 0.00 C ATOM 740 CE2 TYR A 49 23.985 6.368 10.863 1.00 0.00 C ATOM 741 CZ TYR A 49 23.692 6.952 12.077 1.00 0.00 C ATOM 742 OH TYR A 49 24.620 7.764 12.687 1.00 0.00 O ATOM 0 H TYR A 49 21.556 1.448 9.376 1.00 0.00 H new ATOM 0 HA TYR A 49 21.807 2.782 11.135 1.00 0.00 H new ATOM 0 HB2 TYR A 49 20.954 4.446 9.094 1.00 0.00 H new ATOM 0 HB3 TYR A 49 19.799 4.814 10.360 1.00 0.00 H new ATOM 0 HD1 TYR A 49 20.592 5.736 12.543 1.00 0.00 H new ATOM 0 HD2 TYR A 49 23.284 5.098 9.301 1.00 0.00 H new ATOM 0 HE1 TYR A 49 22.249 7.184 13.633 1.00 0.00 H new ATOM 0 HE2 TYR A 49 24.940 6.547 10.392 1.00 0.00 H new ATOM 0 HH TYR A 49 25.424 7.818 12.130 1.00 0.00 H new ATOM 752 N ASN A 50 20.104 2.161 12.808 1.00 0.00 N ATOM 753 CA ASN A 50 19.134 1.861 13.855 1.00 0.00 C ATOM 754 C ASN A 50 19.064 2.993 14.873 1.00 0.00 C ATOM 755 O ASN A 50 20.053 3.308 15.537 1.00 0.00 O ATOM 756 CB ASN A 50 19.497 0.549 14.555 1.00 0.00 C ATOM 757 CG ASN A 50 18.760 -0.640 13.971 1.00 0.00 C ATOM 758 OD1 ASN A 50 19.369 -1.541 13.395 1.00 0.00 O ATOM 759 ND2 ASN A 50 17.440 -0.648 14.118 1.00 0.00 N ATOM 0 H ASN A 50 21.067 1.924 13.045 1.00 0.00 H new ATOM 0 HA ASN A 50 18.154 1.756 13.389 1.00 0.00 H new ATOM 0 HB2 ASN A 50 20.571 0.382 14.475 1.00 0.00 H new ATOM 0 HB3 ASN A 50 19.266 0.631 15.617 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.890 -1.422 13.746 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.976 0.120 14.603 1.00 0.00 H new ATOM 766 N TRP A 51 17.889 3.604 14.993 1.00 0.00 N ATOM 767 CA TRP A 51 17.689 4.702 15.931 1.00 0.00 C ATOM 768 C TRP A 51 16.514 4.422 16.863 1.00 0.00 C ATOM 769 O TRP A 51 15.924 5.343 17.427 1.00 0.00 O ATOM 770 CB TRP A 51 17.448 6.008 15.171 1.00 0.00 C ATOM 771 CG TRP A 51 16.222 5.973 14.311 1.00 0.00 C ATOM 772 CD1 TRP A 51 16.110 5.430 13.064 1.00 0.00 C ATOM 773 CD2 TRP A 51 14.932 6.501 14.637 1.00 0.00 C ATOM 774 NE1 TRP A 51 14.830 5.589 12.593 1.00 0.00 N ATOM 775 CE2 TRP A 51 14.087 6.244 13.540 1.00 0.00 C ATOM 776 CE3 TRP A 51 14.408 7.168 15.749 1.00 0.00 C ATOM 777 CZ2 TRP A 51 12.749 6.629 13.524 1.00 0.00 C ATOM 778 CZ3 TRP A 51 13.080 7.549 15.731 1.00 0.00 C ATOM 779 CH2 TRP A 51 12.263 7.279 14.626 1.00 0.00 C ATOM 0 H TRP A 51 17.061 3.356 14.452 1.00 0.00 H new ATOM 0 HA TRP A 51 18.591 4.797 16.535 1.00 0.00 H new ATOM 0 HB2 TRP A 51 17.359 6.826 15.886 1.00 0.00 H new ATOM 0 HB3 TRP A 51 18.316 6.223 14.547 1.00 0.00 H new ATOM 0 HD1 TRP A 51 16.911 4.946 12.526 1.00 0.00 H new ATOM 0 HE1 TRP A 51 14.488 5.271 11.686 1.00 0.00 H new ATOM 0 HE3 TRP A 51 15.030 7.381 16.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 12.117 6.422 12.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 12.665 8.064 16.584 1.00 0.00 H new ATOM 0 HH2 TRP A 51 11.229 7.590 14.644 1.00 0.00 H new ATOM 790 N GLN A 52 16.178 3.145 17.024 1.00 0.00 N ATOM 791 CA GLN A 52 15.073 2.749 17.889 1.00 0.00 C ATOM 792 C GLN A 52 15.585 2.008 19.120 1.00 0.00 C ATOM 793 O GLN A 52 14.969 1.045 19.578 1.00 0.00 O ATOM 794 CB GLN A 52 14.087 1.867 17.120 1.00 0.00 C ATOM 795 CG GLN A 52 13.324 2.610 16.035 1.00 0.00 C ATOM 796 CD GLN A 52 13.607 2.071 14.647 1.00 0.00 C ATOM 797 OE1 GLN A 52 13.891 0.885 14.475 1.00 0.00 O ATOM 798 NE2 GLN A 52 13.532 2.942 13.647 1.00 0.00 N ATOM 0 H GLN A 52 16.655 2.368 16.567 1.00 0.00 H new ATOM 0 HA GLN A 52 14.560 3.652 18.219 1.00 0.00 H new ATOM 0 HB2 GLN A 52 14.631 1.038 16.667 1.00 0.00 H new ATOM 0 HB3 GLN A 52 13.374 1.435 17.823 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.255 2.541 16.236 1.00 0.00 H new ATOM 0 HG3 GLN A 52 13.587 3.667 16.070 1.00 0.00 H new ATOM 0 HE21 GLN A 52 13.293 3.916 13.835 1.00 0.00 H new ATOM 0 HE22 GLN A 52 13.713 2.637 12.691 1.00 0.00 H new ATOM 807 N ASP A 53 16.715 2.462 19.651 1.00 0.00 N ATOM 808 CA ASP A 53 17.309 1.842 20.830 1.00 0.00 C ATOM 809 C ASP A 53 18.150 2.851 21.609 1.00 0.00 C ATOM 810 O ASP A 53 19.355 2.667 21.785 1.00 0.00 O ATOM 811 CB ASP A 53 18.170 0.644 20.422 1.00 0.00 C ATOM 812 CG ASP A 53 17.337 -0.556 20.021 1.00 0.00 C ATOM 813 OD1 ASP A 53 16.921 -0.625 18.844 1.00 0.00 O ATOM 814 OD2 ASP A 53 17.099 -1.429 20.883 1.00 0.00 O ATOM 0 H ASP A 53 17.238 3.257 19.284 1.00 0.00 H new ATOM 0 HA ASP A 53 16.502 1.495 21.476 1.00 0.00 H new ATOM 0 HB2 ASP A 53 18.815 0.930 19.591 1.00 0.00 H new ATOM 0 HB3 ASP A 53 18.822 0.369 21.251 1.00 0.00 H new ATOM 819 N HIS A 54 17.505 3.916 22.074 1.00 0.00 N ATOM 820 CA HIS A 54 18.192 4.955 22.833 1.00 0.00 C ATOM 821 C HIS A 54 17.751 4.945 24.293 1.00 0.00 C ATOM 822 O HIS A 54 18.522 5.299 25.186 1.00 0.00 O ATOM 823 CB HIS A 54 17.923 6.328 22.216 1.00 0.00 C ATOM 824 CG HIS A 54 18.869 6.684 21.110 1.00 0.00 C ATOM 825 ND1 HIS A 54 19.939 7.536 21.279 1.00 0.00 N ATOM 826 CD2 HIS A 54 18.900 6.295 19.813 1.00 0.00 C ATOM 827 CE1 HIS A 54 20.588 7.658 20.135 1.00 0.00 C ATOM 828 NE2 HIS A 54 19.978 6.915 19.230 1.00 0.00 N ATOM 0 H HIS A 54 16.508 4.082 21.939 1.00 0.00 H new ATOM 0 HA HIS A 54 19.262 4.750 22.795 1.00 0.00 H new ATOM 0 HB2 HIS A 54 16.903 6.351 21.832 1.00 0.00 H new ATOM 0 HB3 HIS A 54 17.987 7.087 22.996 1.00 0.00 H new ATOM 0 HD2 HIS A 54 18.207 5.623 19.328 1.00 0.00 H new ATOM 0 HE1 HIS A 54 21.467 8.262 19.968 1.00 0.00 H new ATOM 0 HE2 HIS A 54 20.262 6.817 18.255 1.00 0.00 H new ATOM 836 N HIS A 55 16.507 4.541 24.529 1.00 0.00 N ATOM 837 CA HIS A 55 15.965 4.487 25.883 1.00 0.00 C ATOM 838 C HIS A 55 16.659 3.406 26.707 1.00 0.00 C ATOM 839 O HIS A 55 16.087 2.349 26.971 1.00 0.00 O ATOM 840 CB HIS A 55 14.459 4.226 25.839 1.00 0.00 C ATOM 841 CG HIS A 55 13.633 5.475 25.847 1.00 0.00 C ATOM 842 ND1 HIS A 55 13.084 6.022 24.705 1.00 0.00 N ATOM 843 CD2 HIS A 55 13.263 6.287 26.866 1.00 0.00 C ATOM 844 CE1 HIS A 55 12.414 7.115 25.021 1.00 0.00 C ATOM 845 NE2 HIS A 55 12.506 7.297 26.326 1.00 0.00 N ATOM 0 H HIS A 55 15.856 4.246 23.802 1.00 0.00 H new ATOM 0 HA HIS A 55 16.147 5.450 26.360 1.00 0.00 H new ATOM 0 HB2 HIS A 55 14.224 3.651 24.943 1.00 0.00 H new ATOM 0 HB3 HIS A 55 14.180 3.611 26.694 1.00 0.00 H new ATOM 0 HD2 HIS A 55 13.516 6.163 27.909 1.00 0.00 H new ATOM 0 HE1 HIS A 55 11.881 7.752 24.330 1.00 0.00 H new ATOM 0 HE2 HIS A 55 12.083 8.064 26.848 1.00 0.00 H new ATOM 853 N ILE A 56 17.896 3.679 27.109 1.00 0.00 N ATOM 854 CA ILE A 56 18.668 2.733 27.901 1.00 0.00 C ATOM 855 C ILE A 56 18.745 3.172 29.360 1.00 0.00 C ATOM 856 O ILE A 56 19.609 3.963 29.735 1.00 0.00 O ATOM 857 CB ILE A 56 20.098 2.573 27.351 1.00 0.00 C ATOM 858 CG1 ILE A 56 20.695 3.939 27.002 1.00 0.00 C ATOM 859 CG2 ILE A 56 20.099 1.661 26.133 1.00 0.00 C ATOM 860 CD1 ILE A 56 22.193 4.012 27.206 1.00 0.00 C ATOM 0 H ILE A 56 18.384 4.549 26.898 1.00 0.00 H new ATOM 0 HA ILE A 56 18.153 1.775 27.838 1.00 0.00 H new ATOM 0 HB ILE A 56 20.717 2.117 28.124 1.00 0.00 H new ATOM 0 HG12 ILE A 56 20.466 4.172 25.962 1.00 0.00 H new ATOM 0 HG13 ILE A 56 20.215 4.703 27.613 1.00 0.00 H new ATOM 0 HG21 ILE A 56 21.117 1.558 25.756 1.00 0.00 H new ATOM 0 HG22 ILE A 56 19.715 0.680 26.413 1.00 0.00 H new ATOM 0 HG23 ILE A 56 19.466 2.091 25.356 1.00 0.00 H new ATOM 0 HD11 ILE A 56 22.548 5.007 26.940 1.00 0.00 H new ATOM 0 HD12 ILE A 56 22.428 3.810 28.251 1.00 0.00 H new ATOM 0 HD13 ILE A 56 22.683 3.271 26.574 1.00 0.00 H new ATOM 872 N GLU A 57 17.835 2.653 30.177 1.00 0.00 N ATOM 873 CA GLU A 57 17.799 2.993 31.595 1.00 0.00 C ATOM 874 C GLU A 57 19.106 2.603 32.280 1.00 0.00 C ATOM 875 O GLU A 57 19.779 3.442 32.878 1.00 0.00 O ATOM 876 CB GLU A 57 16.621 2.294 32.278 1.00 0.00 C ATOM 877 CG GLU A 57 15.447 3.218 32.557 1.00 0.00 C ATOM 878 CD GLU A 57 15.424 3.717 33.989 1.00 0.00 C ATOM 879 OE1 GLU A 57 15.909 2.988 34.878 1.00 0.00 O ATOM 880 OE2 GLU A 57 14.924 4.838 34.219 1.00 0.00 O ATOM 0 H GLU A 57 17.113 1.996 29.882 1.00 0.00 H new ATOM 0 HA GLU A 57 17.672 4.072 31.683 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.283 1.470 31.649 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.962 1.859 33.217 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.492 4.071 31.880 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.517 2.691 32.345 1.00 0.00 H new ATOM 887 N GLU A 58 19.459 1.325 32.187 1.00 0.00 N ATOM 888 CA GLU A 58 20.685 0.824 32.798 1.00 0.00 C ATOM 889 C GLU A 58 21.360 -0.204 31.899 1.00 0.00 C ATOM 890 O GLU A 58 22.445 0.033 31.369 1.00 0.00 O ATOM 891 CB GLU A 58 20.384 0.207 34.165 1.00 0.00 C ATOM 892 CG GLU A 58 21.630 -0.149 34.959 1.00 0.00 C ATOM 893 CD GLU A 58 22.041 0.949 35.920 1.00 0.00 C ATOM 894 OE1 GLU A 58 22.636 1.948 35.462 1.00 0.00 O ATOM 895 OE2 GLU A 58 21.769 0.811 37.132 1.00 0.00 O ATOM 0 H GLU A 58 18.914 0.618 31.695 1.00 0.00 H new ATOM 0 HA GLU A 58 21.365 1.665 32.930 1.00 0.00 H new ATOM 0 HB2 GLU A 58 19.781 0.906 34.745 1.00 0.00 H new ATOM 0 HB3 GLU A 58 19.784 -0.692 34.024 1.00 0.00 H new ATOM 0 HG2 GLU A 58 21.450 -1.068 35.518 1.00 0.00 H new ATOM 0 HG3 GLU A 58 22.450 -0.350 34.270 1.00 0.00 H new ATOM 902 N SER A 59 20.708 -1.347 31.736 1.00 0.00 N ATOM 903 CA SER A 59 21.239 -2.420 30.904 1.00 0.00 C ATOM 904 C SER A 59 22.584 -2.905 31.434 1.00 0.00 C ATOM 905 O SER A 59 23.470 -3.274 30.664 1.00 0.00 O ATOM 906 CB SER A 59 21.389 -1.944 29.458 1.00 0.00 C ATOM 907 OG SER A 59 20.152 -1.490 28.938 1.00 0.00 O ATOM 0 H SER A 59 19.809 -1.556 32.170 1.00 0.00 H new ATOM 0 HA SER A 59 20.536 -3.252 30.935 1.00 0.00 H new ATOM 0 HB2 SER A 59 22.123 -1.140 29.411 1.00 0.00 H new ATOM 0 HB3 SER A 59 21.769 -2.759 28.842 1.00 0.00 H new ATOM 0 HG SER A 59 20.276 -1.190 28.013 1.00 0.00 H new ATOM 913 N GLY A 60 22.729 -2.901 32.756 1.00 0.00 N ATOM 914 CA GLY A 60 23.969 -3.342 33.366 1.00 0.00 C ATOM 915 C GLY A 60 24.014 -3.056 34.857 1.00 0.00 C ATOM 916 O GLY A 60 24.391 -1.960 35.268 1.00 0.00 O ATOM 0 H GLY A 60 22.010 -2.600 33.414 1.00 0.00 H new ATOM 0 HA2 GLY A 60 24.092 -4.412 33.200 1.00 0.00 H new ATOM 0 HA3 GLY A 60 24.808 -2.845 32.878 1.00 0.00 H new ATOM 920 N PRO A 61 23.632 -4.034 35.699 1.00 0.00 N ATOM 921 CA PRO A 61 23.636 -3.867 37.155 1.00 0.00 C ATOM 922 C PRO A 61 24.964 -3.323 37.674 1.00 0.00 C ATOM 923 O PRO A 61 25.975 -3.355 36.973 1.00 0.00 O ATOM 924 CB PRO A 61 23.401 -5.286 37.674 1.00 0.00 C ATOM 925 CG PRO A 61 22.655 -5.969 36.580 1.00 0.00 C ATOM 926 CD PRO A 61 23.167 -5.375 35.297 1.00 0.00 C ATOM 0 HA PRO A 61 22.887 -3.147 37.485 1.00 0.00 H new ATOM 0 HB2 PRO A 61 24.343 -5.791 37.886 1.00 0.00 H new ATOM 0 HB3 PRO A 61 22.827 -5.279 38.601 1.00 0.00 H new ATOM 0 HG2 PRO A 61 22.823 -7.046 36.606 1.00 0.00 H new ATOM 0 HG3 PRO A 61 21.581 -5.811 36.682 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.976 -5.970 34.874 1.00 0.00 H new ATOM 0 HD3 PRO A 61 22.384 -5.318 34.541 1.00 0.00 H new ATOM 934 N SER A 62 24.952 -2.824 38.906 1.00 0.00 N ATOM 935 CA SER A 62 26.156 -2.273 39.518 1.00 0.00 C ATOM 936 C SER A 62 26.676 -1.084 38.718 1.00 0.00 C ATOM 937 O SER A 62 26.080 -0.687 37.717 1.00 0.00 O ATOM 938 CB SER A 62 27.239 -3.348 39.622 1.00 0.00 C ATOM 939 OG SER A 62 28.139 -3.066 40.680 1.00 0.00 O ATOM 0 H SER A 62 24.123 -2.790 39.499 1.00 0.00 H new ATOM 0 HA SER A 62 25.900 -1.929 40.520 1.00 0.00 H new ATOM 0 HB2 SER A 62 26.775 -4.321 39.785 1.00 0.00 H new ATOM 0 HB3 SER A 62 27.786 -3.409 38.681 1.00 0.00 H new ATOM 0 HG SER A 62 28.820 -3.769 40.726 1.00 0.00 H new ATOM 945 N SER A 63 27.792 -0.518 39.167 1.00 0.00 N ATOM 946 CA SER A 63 28.393 0.626 38.492 1.00 0.00 C ATOM 947 C SER A 63 29.916 0.542 38.530 1.00 0.00 C ATOM 948 O SER A 63 30.491 -0.087 39.419 1.00 0.00 O ATOM 949 CB SER A 63 27.927 1.930 39.142 1.00 0.00 C ATOM 950 OG SER A 63 26.560 1.855 39.510 1.00 0.00 O ATOM 0 H SER A 63 28.298 -0.833 39.995 1.00 0.00 H new ATOM 0 HA SER A 63 28.072 0.611 37.450 1.00 0.00 H new ATOM 0 HB2 SER A 63 28.534 2.138 40.023 1.00 0.00 H new ATOM 0 HB3 SER A 63 28.076 2.759 38.450 1.00 0.00 H new ATOM 0 HG SER A 63 26.286 2.700 39.925 1.00 0.00 H new ATOM 956 N GLY A 64 30.563 1.181 37.562 1.00 0.00 N ATOM 957 CA GLY A 64 32.013 1.167 37.503 1.00 0.00 C ATOM 958 C GLY A 64 32.537 0.425 36.289 1.00 0.00 C ATOM 959 O GLY A 64 33.645 0.760 35.820 1.00 0.00 O ATOM 960 OXT GLY A 64 31.841 -0.494 35.809 1.00 0.00 O ATOM 0 H GLY A 64 30.109 1.709 36.816 1.00 0.00 H new ATOM 0 HA2 GLY A 64 32.383 2.192 37.486 1.00 0.00 H new ATOM 0 HA3 GLY A 64 32.406 0.702 38.407 1.00 0.00 H new TER 964 GLY A 64