USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 252 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 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.81 X(o=-0.81,f=-0.89) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0342 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.455 X(o=-0.45,f=-0.23) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 10.249 0.307 10.994 1.00 0.00 N ATOM 2 CA LYS A 1 11.595 -0.226 10.810 1.00 0.00 C ATOM 3 C LYS A 1 11.986 -0.230 9.348 1.00 0.00 C ATOM 4 O LYS A 1 11.259 -0.683 8.461 1.00 0.00 O ATOM 5 CB LYS A 1 11.676 -1.656 11.411 1.00 0.00 C ATOM 6 CG LYS A 1 12.992 -1.924 12.184 1.00 0.00 C ATOM 7 CD LYS A 1 13.266 -3.397 12.502 1.00 0.00 C ATOM 8 CE LYS A 1 12.985 -3.656 13.988 1.00 0.00 C ATOM 9 NZ LYS A 1 11.613 -4.172 14.144 1.00 0.00 N ATOM 0 H1 LYS A 1 10.007 0.298 12.005 1.00 0.00 H new ATOM 0 H2 LYS A 1 10.210 1.283 10.638 1.00 0.00 H new ATOM 0 H3 LYS A 1 9.569 -0.280 10.470 1.00 0.00 H new ATOM 0 HA LYS A 1 12.302 0.418 11.333 1.00 0.00 H new ATOM 0 HB2 LYS A 1 10.831 -1.808 12.083 1.00 0.00 H new ATOM 0 HB3 LYS A 1 11.580 -2.386 10.607 1.00 0.00 H new ATOM 0 HG2 LYS A 1 13.825 -1.533 11.600 1.00 0.00 H new ATOM 0 HG3 LYS A 1 12.967 -1.364 13.119 1.00 0.00 H new ATOM 0 HD2 LYS A 1 12.637 -4.037 11.884 1.00 0.00 H new ATOM 0 HD3 LYS A 1 14.301 -3.645 12.267 1.00 0.00 H new ATOM 0 HE2 LYS A 1 13.703 -4.374 14.385 1.00 0.00 H new ATOM 0 HE3 LYS A 1 13.106 -2.735 14.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 11.421 -4.348 15.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 10.935 -3.472 13.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 11.514 -5.060 13.612 1.00 0.00 H new ATOM 25 N TYR A 2 13.169 0.289 9.079 1.00 0.00 N ATOM 26 CA TYR A 2 13.750 0.343 7.740 1.00 0.00 C ATOM 27 C TYR A 2 15.162 0.883 7.816 1.00 0.00 C ATOM 28 O TYR A 2 15.510 1.927 7.259 1.00 0.00 O ATOM 29 CB TYR A 2 12.920 1.268 6.803 1.00 0.00 C ATOM 30 CG TYR A 2 12.507 2.632 7.371 1.00 0.00 C ATOM 31 CD1 TYR A 2 11.401 2.724 8.221 1.00 0.00 C ATOM 32 CD2 TYR A 2 13.226 3.786 7.046 1.00 0.00 C ATOM 33 CE1 TYR A 2 11.021 3.955 8.746 1.00 0.00 C ATOM 34 CE2 TYR A 2 12.844 5.017 7.574 1.00 0.00 C ATOM 35 CZ TYR A 2 11.743 5.101 8.422 1.00 0.00 C ATOM 36 OH TYR A 2 11.374 6.311 8.939 1.00 0.00 O ATOM 0 H TYR A 2 13.770 0.695 9.796 1.00 0.00 H new ATOM 0 HA TYR A 2 13.748 -0.669 7.336 1.00 0.00 H new ATOM 0 HB2 TYR A 2 13.498 1.439 5.894 1.00 0.00 H new ATOM 0 HB3 TYR A 2 12.016 0.733 6.511 1.00 0.00 H new ATOM 0 HD1 TYR A 2 10.839 1.836 8.471 1.00 0.00 H new ATOM 0 HD2 TYR A 2 14.078 3.723 6.385 1.00 0.00 H new ATOM 0 HE1 TYR A 2 10.167 4.022 9.404 1.00 0.00 H new ATOM 0 HE2 TYR A 2 13.402 5.907 7.325 1.00 0.00 H new ATOM 0 HH TYR A 2 11.984 7.006 8.613 1.00 0.00 H new ATOM 46 N TYR A 3 16.001 0.169 8.534 1.00 0.00 N ATOM 47 CA TYR A 3 17.355 0.595 8.893 1.00 0.00 C ATOM 48 C TYR A 3 18.394 0.082 7.929 1.00 0.00 C ATOM 49 O TYR A 3 19.589 -0.010 8.249 1.00 0.00 O ATOM 50 CB TYR A 3 17.667 0.015 10.313 1.00 0.00 C ATOM 51 CG TYR A 3 17.221 0.822 11.531 1.00 0.00 C ATOM 52 CD1 TYR A 3 16.854 2.163 11.387 1.00 0.00 C ATOM 53 CD2 TYR A 3 17.156 0.225 12.797 1.00 0.00 C ATOM 54 CE1 TYR A 3 16.331 2.868 12.467 1.00 0.00 C ATOM 55 CE2 TYR A 3 16.632 0.932 13.876 1.00 0.00 C ATOM 56 CZ TYR A 3 16.208 2.246 13.707 1.00 0.00 C ATOM 57 OH TYR A 3 15.681 2.932 14.766 1.00 0.00 O ATOM 0 H TYR A 3 15.762 -0.753 8.900 1.00 0.00 H new ATOM 0 HA TYR A 3 17.394 1.684 8.869 1.00 0.00 H new ATOM 0 HB2 TYR A 3 17.207 -0.971 10.379 1.00 0.00 H new ATOM 0 HB3 TYR A 3 18.745 -0.130 10.385 1.00 0.00 H new ATOM 0 HD1 TYR A 3 16.977 2.654 10.433 1.00 0.00 H new ATOM 0 HD2 TYR A 3 17.513 -0.785 12.936 1.00 0.00 H new ATOM 0 HE1 TYR A 3 16.021 3.895 12.344 1.00 0.00 H new ATOM 0 HE2 TYR A 3 16.555 0.460 14.844 1.00 0.00 H new ATOM 0 HH TYR A 3 15.665 2.352 15.556 1.00 0.00 H new ATOM 67 N GLY A 4 17.980 -0.256 6.721 1.00 0.00 N ATOM 68 CA GLY A 4 18.868 -0.884 5.749 1.00 0.00 C ATOM 69 C GLY A 4 18.458 -2.298 5.412 1.00 0.00 C ATOM 70 O GLY A 4 18.960 -2.893 4.444 1.00 0.00 O ATOM 0 H GLY A 4 17.029 -0.106 6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.882 -0.287 4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.885 -0.889 6.142 1.00 0.00 H new ATOM 74 N ASN A 5 17.566 -2.881 6.188 1.00 0.00 N ATOM 75 CA ASN A 5 17.037 -4.217 5.910 1.00 0.00 C ATOM 76 C ASN A 5 16.622 -4.363 4.465 1.00 0.00 C ATOM 77 O ASN A 5 17.132 -5.213 3.724 1.00 0.00 O ATOM 78 CB ASN A 5 15.834 -4.508 6.856 1.00 0.00 C ATOM 79 CG ASN A 5 14.497 -4.862 6.197 1.00 0.00 C ATOM 80 OD1 ASN A 5 14.305 -5.936 5.646 1.00 0.00 O ATOM 81 ND2 ASN A 5 13.522 -3.994 6.246 1.00 0.00 N ATOM 0 H ASN A 5 17.183 -2.450 7.029 1.00 0.00 H new ATOM 0 HA ASN A 5 17.828 -4.944 6.094 1.00 0.00 H new ATOM 0 HB2 ASN A 5 16.114 -5.329 7.516 1.00 0.00 H new ATOM 0 HB3 ASN A 5 15.679 -3.632 7.486 1.00 0.00 H new ATOM 0 HD21 ASN A 5 12.619 -4.218 5.829 1.00 0.00 H new ATOM 0 HD22 ASN A 5 13.664 -3.093 6.702 1.00 0.00 H new ATOM 88 N GLY A 6 15.678 -3.546 4.035 1.00 0.00 N ATOM 89 CA GLY A 6 15.224 -3.560 2.647 1.00 0.00 C ATOM 90 C GLY A 6 13.779 -3.137 2.530 1.00 0.00 C ATOM 91 O GLY A 6 12.872 -3.952 2.343 1.00 0.00 O ATOM 0 H GLY A 6 15.206 -2.861 4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 6 15.848 -2.893 2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 6 15.345 -4.562 2.234 1.00 0.00 H new ATOM 95 N VAL A 7 13.547 -1.841 2.625 1.00 0.00 N ATOM 96 CA VAL A 7 12.222 -1.265 2.416 1.00 0.00 C ATOM 97 C VAL A 7 12.001 -0.918 0.964 1.00 0.00 C ATOM 98 O VAL A 7 10.862 -0.849 0.481 1.00 0.00 O ATOM 99 CB VAL A 7 12.044 0.012 3.332 1.00 0.00 C ATOM 100 CG1 VAL A 7 11.069 1.103 2.808 1.00 0.00 C ATOM 101 CG2 VAL A 7 11.564 -0.308 4.768 1.00 0.00 C ATOM 0 H VAL A 7 14.268 -1.155 2.849 1.00 0.00 H new ATOM 0 HA VAL A 7 11.473 -2.007 2.693 1.00 0.00 H new ATOM 0 HB VAL A 7 13.063 0.398 3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.030 1.928 3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.420 1.472 1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.073 0.676 2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.466 0.618 5.334 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.598 -0.811 4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.290 -0.957 5.258 1.00 0.00 H new ATOM 111 N HIS A 8 13.076 -0.677 0.235 1.00 0.00 N ATOM 112 CA HIS A 8 12.987 -0.444 -1.206 1.00 0.00 C ATOM 113 C HIS A 8 12.137 0.770 -1.499 1.00 0.00 C ATOM 114 O HIS A 8 11.103 0.696 -2.168 1.00 0.00 O ATOM 115 CB HIS A 8 12.347 -1.707 -1.806 1.00 0.00 C ATOM 116 CG HIS A 8 12.887 -2.035 -3.167 1.00 0.00 C ATOM 117 ND1 HIS A 8 13.819 -3.029 -3.456 1.00 0.00 N ATOM 118 CD2 HIS A 8 12.494 -1.358 -4.313 1.00 0.00 C ATOM 119 CE1 HIS A 8 13.913 -2.875 -4.790 1.00 0.00 C ATOM 120 NE2 HIS A 8 13.164 -1.903 -5.378 1.00 0.00 N ATOM 0 H HIS A 8 14.023 -0.636 0.612 1.00 0.00 H new ATOM 0 HA HIS A 8 13.971 -0.254 -1.636 1.00 0.00 H new ATOM 0 HB2 HIS A 8 12.520 -2.550 -1.137 1.00 0.00 H new ATOM 0 HB3 HIS A 8 11.268 -1.568 -1.871 1.00 0.00 H new ATOM 0 HD2 HIS A 8 11.785 -0.545 -4.358 1.00 0.00 H new ATOM 0 HE1 HIS A 8 14.565 -3.505 -5.377 1.00 0.00 H new ATOM 0 HE2 HIS A 8 13.114 -1.645 -6.363 1.00 0.00 H new ATOM 129 N CYS A 9 12.563 1.909 -0.982 1.00 0.00 N ATOM 130 CA CYS A 9 11.917 3.187 -1.264 1.00 0.00 C ATOM 131 C CYS A 9 11.668 3.353 -2.744 1.00 0.00 C ATOM 132 O CYS A 9 12.432 2.879 -3.591 1.00 0.00 O ATOM 133 CB CYS A 9 12.793 4.318 -0.689 1.00 0.00 C ATOM 134 SG CYS A 9 12.573 4.462 1.098 1.00 0.00 S ATOM 0 H CYS A 9 13.365 1.978 -0.355 1.00 0.00 H new ATOM 0 HA CYS A 9 10.939 3.224 -0.785 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.841 4.122 -0.915 1.00 0.00 H new ATOM 0 HB3 CYS A 9 12.535 5.262 -1.168 1.00 0.00 H new ATOM 139 N THR A 10 10.594 4.042 -3.080 1.00 0.00 N ATOM 140 CA THR A 10 10.246 4.297 -4.476 1.00 0.00 C ATOM 141 C THR A 10 9.608 5.656 -4.632 1.00 0.00 C ATOM 142 O THR A 10 9.747 6.541 -3.779 1.00 0.00 O ATOM 143 CB THR A 10 9.303 3.170 -5.019 1.00 0.00 C ATOM 144 OG1 THR A 10 7.957 3.422 -4.639 1.00 0.00 O ATOM 145 CG2 THR A 10 9.587 1.739 -4.515 1.00 0.00 C ATOM 0 H THR A 10 9.940 4.440 -2.405 1.00 0.00 H new ATOM 0 HA THR A 10 11.163 4.289 -5.065 1.00 0.00 H new ATOM 0 HB THR A 10 9.487 3.205 -6.093 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.380 2.710 -4.987 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.871 1.048 -4.959 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.598 1.447 -4.800 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.493 1.710 -3.429 1.00 0.00 H new ATOM 153 N LYS A 11 8.884 5.850 -5.719 1.00 0.00 N ATOM 154 CA LYS A 11 8.124 7.080 -5.927 1.00 0.00 C ATOM 155 C LYS A 11 6.669 6.880 -5.575 1.00 0.00 C ATOM 156 O LYS A 11 5.761 7.409 -6.221 1.00 0.00 O ATOM 157 CB LYS A 11 8.280 7.548 -7.400 1.00 0.00 C ATOM 158 CG LYS A 11 8.972 6.509 -8.317 1.00 0.00 C ATOM 159 CD LYS A 11 8.458 6.480 -9.759 1.00 0.00 C ATOM 160 CE LYS A 11 6.965 6.126 -9.756 1.00 0.00 C ATOM 161 NZ LYS A 11 6.330 6.671 -10.970 1.00 0.00 N ATOM 0 H LYS A 11 8.803 5.172 -6.477 1.00 0.00 H new ATOM 0 HA LYS A 11 8.518 7.854 -5.268 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.294 7.776 -7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.854 8.474 -7.418 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.042 6.715 -8.332 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.844 5.518 -7.881 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.613 7.449 -10.232 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.016 5.748 -10.342 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.837 5.044 -9.719 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.485 6.534 -8.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.318 6.432 -10.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.442 7.705 -10.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.782 6.261 -11.812 1.00 0.00 H new ATOM 175 N SER A 12 6.428 6.095 -4.542 1.00 0.00 N ATOM 176 CA SER A 12 5.084 5.892 -4.007 1.00 0.00 C ATOM 177 C SER A 12 5.093 5.944 -2.497 1.00 0.00 C ATOM 178 O SER A 12 4.225 6.543 -1.857 1.00 0.00 O ATOM 179 CB SER A 12 4.477 4.566 -4.530 1.00 0.00 C ATOM 180 OG SER A 12 3.783 4.722 -5.773 1.00 0.00 O ATOM 0 H SER A 12 7.154 5.578 -4.046 1.00 0.00 H new ATOM 0 HA SER A 12 4.448 6.704 -4.359 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.273 3.832 -4.654 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.790 4.168 -3.784 1.00 0.00 H new ATOM 0 HG SER A 12 3.422 3.856 -6.057 1.00 0.00 H new ATOM 186 N GLY A 13 6.081 5.298 -1.906 1.00 0.00 N ATOM 187 CA GLY A 13 6.293 5.348 -0.462 1.00 0.00 C ATOM 188 C GLY A 13 7.249 4.266 -0.018 1.00 0.00 C ATOM 189 O GLY A 13 7.451 3.255 -0.701 1.00 0.00 O ATOM 0 H GLY A 13 6.760 4.724 -2.407 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.688 6.325 -0.182 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.340 5.230 0.054 1.00 0.00 H new ATOM 193 N CYS A 14 7.844 4.454 1.143 1.00 0.00 N ATOM 194 CA CYS A 14 8.708 3.435 1.747 1.00 0.00 C ATOM 195 C CYS A 14 7.888 2.532 2.641 1.00 0.00 C ATOM 196 O CYS A 14 6.737 2.192 2.305 1.00 0.00 O ATOM 197 CB CYS A 14 9.864 4.164 2.463 1.00 0.00 C ATOM 198 SG CYS A 14 10.715 5.279 1.325 1.00 0.00 S ATOM 0 H CYS A 14 7.750 5.305 1.697 1.00 0.00 H new ATOM 0 HA CYS A 14 9.151 2.774 1.002 1.00 0.00 H new ATOM 0 HB2 CYS A 14 9.475 4.728 3.311 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.569 3.435 2.862 1.00 0.00 H new ATOM 203 N SER A 15 8.415 2.142 3.784 1.00 0.00 N ATOM 204 CA SER A 15 7.733 1.230 4.704 1.00 0.00 C ATOM 205 C SER A 15 7.114 0.060 3.979 1.00 0.00 C ATOM 206 O SER A 15 5.906 0.044 3.698 1.00 0.00 O ATOM 207 CB SER A 15 6.678 1.996 5.544 1.00 0.00 C ATOM 208 OG SER A 15 6.692 1.630 6.927 1.00 0.00 O ATOM 0 H SER A 15 9.333 2.446 4.110 1.00 0.00 H new ATOM 0 HA SER A 15 8.481 0.821 5.383 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.859 3.067 5.455 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.686 1.805 5.133 1.00 0.00 H new ATOM 0 HG SER A 15 6.010 2.143 7.408 1.00 0.00 H new ATOM 214 N VAL A 16 7.909 -0.950 3.672 1.00 0.00 N ATOM 215 CA VAL A 16 7.436 -2.072 2.864 1.00 0.00 C ATOM 216 C VAL A 16 7.900 -3.406 3.399 1.00 0.00 C ATOM 217 O VAL A 16 8.987 -3.896 3.069 1.00 0.00 O ATOM 218 CB VAL A 16 7.917 -1.888 1.367 1.00 0.00 C ATOM 219 CG1 VAL A 16 7.496 -3.049 0.432 1.00 0.00 C ATOM 220 CG2 VAL A 16 7.460 -0.590 0.648 1.00 0.00 C ATOM 0 H VAL A 16 8.883 -1.021 3.967 1.00 0.00 H new ATOM 0 HA VAL A 16 6.347 -2.073 2.909 1.00 0.00 H new ATOM 0 HB VAL A 16 8.996 -1.851 1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.860 -2.854 -0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.922 -3.983 0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.409 -3.128 0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.852 -0.580 -0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.371 -0.555 0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.836 0.278 1.190 1.00 0.00 H new ATOM 230 N ASN A 17 7.094 -4.016 4.247 1.00 0.00 N ATOM 231 CA ASN A 17 7.345 -5.383 4.699 1.00 0.00 C ATOM 232 C ASN A 17 6.821 -6.410 3.716 1.00 0.00 C ATOM 233 O ASN A 17 7.120 -7.603 3.810 1.00 0.00 O ATOM 234 CB ASN A 17 6.690 -5.585 6.097 1.00 0.00 C ATOM 235 CG ASN A 17 7.171 -6.768 6.942 1.00 0.00 C ATOM 236 OD1 ASN A 17 8.302 -7.222 6.850 1.00 0.00 O ATOM 237 ND2 ASN A 17 6.349 -7.294 7.810 1.00 0.00 N ATOM 0 H ASN A 17 6.255 -3.590 4.641 1.00 0.00 H new ATOM 0 HA ASN A 17 8.423 -5.530 4.768 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.845 -4.674 6.675 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.615 -5.691 5.952 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.655 -8.070 8.397 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.401 -6.929 7.901 1.00 0.00 H new ATOM 244 N TRP A 18 6.060 -5.963 2.736 1.00 0.00 N ATOM 245 CA TRP A 18 5.314 -6.764 1.749 1.00 0.00 C ATOM 246 C TRP A 18 4.289 -7.742 2.276 1.00 0.00 C ATOM 247 O TRP A 18 3.517 -8.331 1.490 1.00 0.00 O ATOM 248 CB TRP A 18 6.407 -7.532 0.946 1.00 0.00 C ATOM 249 CG TRP A 18 7.238 -6.652 0.007 1.00 0.00 C ATOM 250 CD1 TRP A 18 8.631 -6.438 0.111 1.00 0.00 C ATOM 251 CD2 TRP A 18 6.807 -5.835 -1.017 1.00 0.00 C ATOM 252 NE1 TRP A 18 9.085 -5.508 -0.844 1.00 0.00 N ATOM 253 CE2 TRP A 18 7.936 -5.148 -1.530 1.00 0.00 C ATOM 254 CE3 TRP A 18 5.513 -5.588 -1.542 1.00 0.00 C ATOM 255 CZ2 TRP A 18 7.780 -4.228 -2.590 1.00 0.00 C ATOM 256 CZ3 TRP A 18 5.373 -4.605 -2.523 1.00 0.00 C ATOM 257 CH2 TRP A 18 6.493 -3.952 -3.058 1.00 0.00 C ATOM 0 H TRP A 18 5.929 -4.963 2.587 1.00 0.00 H new ATOM 0 HA TRP A 18 4.702 -6.075 1.167 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.077 -8.026 1.649 1.00 0.00 H new ATOM 0 HB3 TRP A 18 5.927 -8.315 0.360 1.00 0.00 H new ATOM 0 HD1 TRP A 18 9.268 -6.927 0.833 1.00 0.00 H new ATOM 0 HE1 TRP A 18 10.038 -5.177 -0.996 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.657 -6.146 -1.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 8.640 -3.746 -3.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.386 -4.343 -2.876 1.00 0.00 H new ATOM 0 HH2 TRP A 18 6.358 -3.224 -3.844 1.00 0.00 H new ATOM 268 N GLY A 19 4.219 -7.951 3.572 1.00 0.00 N ATOM 269 CA GLY A 19 3.147 -8.730 4.190 1.00 0.00 C ATOM 270 C GLY A 19 2.194 -7.780 4.896 1.00 0.00 C ATOM 271 O GLY A 19 0.971 -7.923 4.912 1.00 0.00 O ATOM 0 H GLY A 19 4.902 -7.588 4.237 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.614 -9.305 3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.562 -9.445 4.900 1.00 0.00 H new ATOM 275 N GLU A 20 2.790 -6.757 5.490 1.00 0.00 N ATOM 276 CA GLU A 20 2.060 -5.649 6.093 1.00 0.00 C ATOM 277 C GLU A 20 1.592 -4.665 5.049 1.00 0.00 C ATOM 278 O GLU A 20 0.763 -3.782 5.333 1.00 0.00 O ATOM 279 CB GLU A 20 2.989 -4.964 7.138 1.00 0.00 C ATOM 280 CG GLU A 20 2.748 -5.310 8.644 1.00 0.00 C ATOM 281 CD GLU A 20 3.126 -4.268 9.699 1.00 0.00 C ATOM 282 OE1 GLU A 20 2.296 -3.603 10.306 1.00 0.00 O ATOM 283 OE2 GLU A 20 4.468 -4.150 9.897 1.00 0.00 O ATOM 0 H GLU A 20 3.803 -6.671 5.568 1.00 0.00 H new ATOM 0 HA GLU A 20 1.165 -6.026 6.587 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.020 -5.221 6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.892 -3.885 7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.689 -5.538 8.767 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.299 -6.224 8.867 1.00 0.00 H new ATOM 291 N ALA A 21 2.105 -4.758 3.837 1.00 0.00 N ATOM 292 CA ALA A 21 1.607 -3.939 2.730 1.00 0.00 C ATOM 293 C ALA A 21 0.319 -4.508 2.187 1.00 0.00 C ATOM 294 O ALA A 21 -0.551 -3.793 1.683 1.00 0.00 O ATOM 295 CB ALA A 21 2.719 -3.851 1.673 1.00 0.00 C ATOM 0 H ALA A 21 2.866 -5.390 3.586 1.00 0.00 H new ATOM 0 HA ALA A 21 1.366 -2.930 3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.376 -3.245 0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.604 -3.393 2.114 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.966 -4.852 1.321 1.00 0.00 H new ATOM 301 N PHE A 22 0.189 -5.820 2.267 1.00 0.00 N ATOM 302 CA PHE A 22 -1.057 -6.500 1.921 1.00 0.00 C ATOM 303 C PHE A 22 -2.067 -6.340 3.036 1.00 0.00 C ATOM 304 O PHE A 22 -3.280 -6.352 2.814 1.00 0.00 O ATOM 305 CB PHE A 22 -0.792 -8.016 1.679 1.00 0.00 C ATOM 306 CG PHE A 22 -1.993 -8.857 1.221 1.00 0.00 C ATOM 307 CD1 PHE A 22 -2.375 -8.844 -0.126 1.00 0.00 C ATOM 308 CD2 PHE A 22 -2.710 -9.637 2.132 1.00 0.00 C ATOM 309 CE1 PHE A 22 -3.464 -9.596 -0.554 1.00 0.00 C ATOM 310 CE2 PHE A 22 -3.799 -10.391 1.701 1.00 0.00 C ATOM 311 CZ PHE A 22 -4.176 -10.369 0.360 1.00 0.00 C ATOM 0 H PHE A 22 0.936 -6.445 2.571 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.453 -6.052 1.009 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.005 -8.110 0.931 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.406 -8.447 2.603 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.822 -8.247 -0.836 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.419 -9.655 3.172 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.757 -9.581 -1.593 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.352 -10.993 2.407 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.022 -10.953 0.028 1.00 0.00 H new ATOM 321 N SER A 23 -1.569 -6.208 4.250 1.00 0.00 N ATOM 322 CA SER A 23 -2.406 -5.874 5.399 1.00 0.00 C ATOM 323 C SER A 23 -2.731 -4.396 5.401 1.00 0.00 C ATOM 324 O SER A 23 -3.763 -3.954 5.912 1.00 0.00 O ATOM 325 CB SER A 23 -1.739 -6.319 6.723 1.00 0.00 C ATOM 326 OG SER A 23 -2.474 -7.343 7.402 1.00 0.00 O ATOM 0 H SER A 23 -0.581 -6.327 4.473 1.00 0.00 H new ATOM 0 HA SER A 23 -3.345 -6.422 5.316 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.732 -6.680 6.513 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.637 -5.456 7.380 1.00 0.00 H new ATOM 0 HG SER A 23 -2.008 -7.587 8.229 1.00 0.00 H new ATOM 332 N ALA A 24 -1.850 -3.609 4.812 1.00 0.00 N ATOM 333 CA ALA A 24 -2.073 -2.176 4.624 1.00 0.00 C ATOM 334 C ALA A 24 -2.912 -1.898 3.400 1.00 0.00 C ATOM 335 O ALA A 24 -3.558 -0.845 3.288 1.00 0.00 O ATOM 336 CB ALA A 24 -0.691 -1.499 4.563 1.00 0.00 C ATOM 0 H ALA A 24 -0.956 -3.940 4.448 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.643 -1.765 5.457 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.818 -0.425 4.423 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.154 -1.683 5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.121 -1.909 3.729 1.00 0.00 H new ATOM 342 N GLY A 25 -2.918 -2.815 2.453 1.00 0.00 N ATOM 343 CA GLY A 25 -3.795 -2.703 1.284 1.00 0.00 C ATOM 344 C GLY A 25 -5.166 -3.242 1.639 1.00 0.00 C ATOM 345 O GLY A 25 -6.211 -2.662 1.340 1.00 0.00 O ATOM 0 H GLY A 25 -2.330 -3.648 2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.870 -1.662 0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.377 -3.261 0.446 1.00 0.00 H new ATOM 349 N VAL A 26 -5.150 -4.386 2.310 1.00 0.00 N ATOM 350 CA VAL A 26 -6.365 -4.967 2.871 1.00 0.00 C ATOM 351 C VAL A 26 -7.053 -3.978 3.787 1.00 0.00 C ATOM 352 O VAL A 26 -8.282 -3.893 3.855 1.00 0.00 O ATOM 353 CB VAL A 26 -6.021 -6.298 3.649 1.00 0.00 C ATOM 354 CG1 VAL A 26 -7.054 -6.762 4.713 1.00 0.00 C ATOM 355 CG2 VAL A 26 -5.805 -7.525 2.730 1.00 0.00 C ATOM 0 H VAL A 26 -4.306 -4.933 2.480 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.047 -5.206 2.055 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.101 -5.990 4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.708 -7.685 5.178 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.163 -5.990 5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.017 -6.937 4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.573 -8.399 3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.712 -7.713 2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.978 -7.328 2.048 1.00 0.00 H new ATOM 365 N HIS A 27 -6.252 -3.222 4.516 1.00 0.00 N ATOM 366 CA HIS A 27 -6.759 -2.212 5.439 1.00 0.00 C ATOM 367 C HIS A 27 -7.179 -0.964 4.699 1.00 0.00 C ATOM 368 O HIS A 27 -8.081 -0.231 5.114 1.00 0.00 O ATOM 369 CB HIS A 27 -5.609 -1.896 6.410 1.00 0.00 C ATOM 370 CG HIS A 27 -6.014 -2.043 7.847 1.00 0.00 C ATOM 371 ND1 HIS A 27 -5.504 -1.311 8.917 1.00 0.00 N ATOM 372 CD2 HIS A 27 -6.970 -2.958 8.267 1.00 0.00 C ATOM 373 CE1 HIS A 27 -6.211 -1.855 9.925 1.00 0.00 C ATOM 374 NE2 HIS A 27 -7.103 -2.838 9.626 1.00 0.00 N ATOM 0 H HIS A 27 -5.234 -3.287 4.488 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.639 -2.578 5.968 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.770 -2.560 6.203 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.260 -0.878 6.236 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.513 -3.644 7.634 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.074 -1.521 10.943 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -7.717 -3.356 10.255 1.00 0.00 H new ATOM 383 N ARG A 28 -6.516 -0.696 3.589 1.00 0.00 N ATOM 384 CA ARG A 28 -6.888 0.414 2.716 1.00 0.00 C ATOM 385 C ARG A 28 -8.328 0.295 2.276 1.00 0.00 C ATOM 386 O ARG A 28 -9.074 1.276 2.207 1.00 0.00 O ATOM 387 CB ARG A 28 -5.924 0.442 1.499 1.00 0.00 C ATOM 388 CG ARG A 28 -6.425 1.270 0.286 1.00 0.00 C ATOM 389 CD ARG A 28 -6.228 2.779 0.483 1.00 0.00 C ATOM 390 NE ARG A 28 -6.458 3.454 -0.819 1.00 0.00 N ATOM 391 CZ ARG A 28 -6.104 4.697 -1.115 1.00 0.00 C ATOM 392 NH1 ARG A 28 -5.498 5.503 -0.294 1.00 0.00 N ATOM 393 NH2 ARG A 28 -6.384 5.129 -2.294 1.00 0.00 N ATOM 0 H ARG A 28 -5.711 -1.233 3.265 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.799 1.353 3.262 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.965 0.845 1.824 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.746 -0.582 1.172 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.894 0.952 -0.611 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.482 1.063 0.121 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.921 3.157 1.234 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.221 2.986 0.845 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.928 2.916 -1.547 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.264 5.190 0.648 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.256 6.448 -0.592 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.861 4.521 -2.960 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.129 6.079 -2.563 1.00 0.00 H new ATOM 407 N LEU A 29 -8.743 -0.923 1.981 1.00 0.00 N ATOM 408 CA LEU A 29 -10.134 -1.210 1.640 1.00 0.00 C ATOM 409 C LEU A 29 -10.968 -1.421 2.881 1.00 0.00 C ATOM 410 O LEU A 29 -12.173 -1.145 2.909 1.00 0.00 O ATOM 411 CB LEU A 29 -10.219 -2.444 0.697 1.00 0.00 C ATOM 412 CG LEU A 29 -9.129 -2.605 -0.396 1.00 0.00 C ATOM 413 CD1 LEU A 29 -9.613 -3.426 -1.603 1.00 0.00 C ATOM 414 CD2 LEU A 29 -8.648 -1.226 -0.869 1.00 0.00 C ATOM 0 H LEU A 29 -8.133 -1.741 1.969 1.00 0.00 H new ATOM 0 HA LEU A 29 -10.539 -0.346 1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -10.204 -3.340 1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.189 -2.418 0.200 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.304 -3.154 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.809 -3.506 -2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.902 -4.423 -1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.471 -2.932 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.883 -1.351 -1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.489 -0.669 -1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.230 -0.677 -0.025 1.00 0.00 H new ATOM 426 N ALA A 30 -10.344 -1.919 3.931 1.00 0.00 N ATOM 427 CA ALA A 30 -11.032 -2.137 5.204 1.00 0.00 C ATOM 428 C ALA A 30 -10.940 -0.937 6.119 1.00 0.00 C ATOM 429 O ALA A 30 -11.080 -1.057 7.348 1.00 0.00 O ATOM 430 CB ALA A 30 -10.428 -3.405 5.837 1.00 0.00 C ATOM 0 H ALA A 30 -9.359 -2.183 3.935 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.100 -2.275 5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.916 -3.603 6.791 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.580 -4.253 5.169 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.360 -3.258 5.999 1.00 0.00 H new ATOM 436 N ASN A 31 -10.694 0.236 5.569 1.00 0.00 N ATOM 437 CA ASN A 31 -10.698 1.471 6.350 1.00 0.00 C ATOM 438 C ASN A 31 -12.098 1.829 6.786 1.00 0.00 C ATOM 439 O ASN A 31 -12.336 2.287 7.907 1.00 0.00 O ATOM 440 CB ASN A 31 -10.072 2.621 5.508 1.00 0.00 C ATOM 441 CG ASN A 31 -10.495 4.051 5.862 1.00 0.00 C ATOM 442 OD1 ASN A 31 -10.549 4.449 7.017 1.00 0.00 O ATOM 443 ND2 ASN A 31 -10.809 4.871 4.896 1.00 0.00 N ATOM 0 H ASN A 31 -10.487 0.366 4.579 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.100 1.322 7.249 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.988 2.556 5.599 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.315 2.445 4.460 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.094 5.827 5.111 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.770 4.556 3.927 1.00 0.00 H new ATOM 450 N GLY A 32 -13.053 1.612 5.901 1.00 0.00 N ATOM 451 CA GLY A 32 -14.450 1.938 6.175 1.00 0.00 C ATOM 452 C GLY A 32 -15.227 0.704 6.566 1.00 0.00 C ATOM 453 O GLY A 32 -15.961 0.681 7.558 1.00 0.00 O ATOM 0 H GLY A 32 -12.890 1.209 4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -14.505 2.675 6.976 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.901 2.392 5.293 1.00 0.00 H new ATOM 457 N GLY A 33 -15.075 -0.348 5.784 1.00 0.00 N ATOM 458 CA GLY A 33 -15.704 -1.632 6.082 1.00 0.00 C ATOM 459 C GLY A 33 -17.179 -1.599 5.761 1.00 0.00 C ATOM 460 O GLY A 33 -18.031 -1.358 6.621 1.00 0.00 O ATOM 0 H GLY A 33 -14.518 -0.343 4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.220 -2.421 5.506 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.563 -1.875 7.135 1.00 0.00 H new ATOM 464 N ASN A 34 -17.503 -1.845 4.505 1.00 0.00 N ATOM 465 CA ASN A 34 -18.893 -1.913 4.063 1.00 0.00 C ATOM 466 C ASN A 34 -19.400 -3.335 4.086 1.00 0.00 C ATOM 467 O ASN A 34 -20.301 -3.697 4.848 1.00 0.00 O ATOM 468 CB ASN A 34 -19.014 -1.308 2.634 1.00 0.00 C ATOM 469 CG ASN A 34 -19.782 0.012 2.500 1.00 0.00 C ATOM 470 OD1 ASN A 34 -21.000 0.050 2.409 1.00 0.00 O ATOM 471 ND2 ASN A 34 -19.112 1.133 2.500 1.00 0.00 N ATOM 0 H ASN A 34 -16.820 -2.003 3.764 1.00 0.00 H new ATOM 0 HA ASN A 34 -19.509 -1.333 4.750 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -18.008 -1.155 2.244 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -19.495 -2.047 1.993 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -19.606 2.022 2.425 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -18.095 1.119 2.575 1.00 0.00 H new ATOM 478 N GLY A 35 -18.829 -4.166 3.233 1.00 0.00 N ATOM 479 CA GLY A 35 -19.196 -5.578 3.165 1.00 0.00 C ATOM 480 C GLY A 35 -17.977 -6.460 3.292 1.00 0.00 C ATOM 481 O GLY A 35 -17.740 -7.368 2.492 1.00 0.00 O ATOM 0 H GLY A 35 -18.104 -3.889 2.571 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -19.903 -5.812 3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -19.700 -5.782 2.220 1.00 0.00 H new ATOM 485 N PHE A 36 -17.179 -6.199 4.311 1.00 0.00 N ATOM 486 CA PHE A 36 -15.956 -6.960 4.554 1.00 0.00 C ATOM 487 C PHE A 36 -16.219 -8.146 5.451 1.00 0.00 C ATOM 488 O PHE A 36 -15.575 -9.198 5.341 1.00 0.00 O ATOM 489 CB PHE A 36 -14.885 -6.049 5.227 1.00 0.00 C ATOM 490 CG PHE A 36 -13.420 -6.482 5.064 1.00 0.00 C ATOM 491 CD1 PHE A 36 -12.926 -7.602 5.737 1.00 0.00 C ATOM 492 CD2 PHE A 36 -12.574 -5.761 4.213 1.00 0.00 C ATOM 493 CE1 PHE A 36 -11.600 -7.993 5.565 1.00 0.00 C ATOM 494 CE2 PHE A 36 -11.249 -6.148 4.048 1.00 0.00 C ATOM 495 CZ PHE A 36 -10.762 -7.265 4.723 1.00 0.00 C ATOM 0 H PHE A 36 -17.354 -5.460 4.992 1.00 0.00 H new ATOM 0 HA PHE A 36 -15.593 -7.319 3.591 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -14.991 -5.042 4.823 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -15.107 -5.990 6.292 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -13.573 -8.166 6.392 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -12.952 -4.900 3.682 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -11.221 -8.861 6.085 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.598 -5.583 3.397 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.733 -7.567 4.593 1.00 0.00 H new ATOM 505 N TRP A 37 -17.172 -8.008 6.355 1.00 0.00 N ATOM 506 CA TRP A 37 -17.519 -9.089 7.275 1.00 0.00 C ATOM 507 C TRP A 37 -18.328 -10.154 6.572 1.00 0.00 C ATOM 508 O TRP A 37 -19.184 -9.853 5.533 1.00 0.00 O ATOM 509 CB TRP A 37 -18.334 -8.516 8.468 1.00 0.00 C ATOM 510 CG TRP A 37 -18.242 -7.001 8.668 1.00 0.00 C ATOM 511 CD1 TRP A 37 -19.256 -6.069 8.363 1.00 0.00 C ATOM 512 CD2 TRP A 37 -17.177 -6.261 9.137 1.00 0.00 C ATOM 513 NE1 TRP A 37 -18.845 -4.749 8.632 1.00 0.00 N ATOM 514 CE2 TRP A 37 -17.553 -4.895 9.112 1.00 0.00 C ATOM 515 CE3 TRP A 37 -15.886 -6.647 9.581 1.00 0.00 C ATOM 516 CZ2 TRP A 37 -16.638 -3.903 9.528 1.00 0.00 C ATOM 517 CZ3 TRP A 37 -14.995 -5.648 9.975 1.00 0.00 C ATOM 518 CH2 TRP A 37 -15.354 -4.293 9.918 1.00 0.00 C ATOM 519 OXT TRP A 37 -18.177 -11.304 6.982 1.00 0.00 O ATOM 0 H TRP A 37 -17.723 -7.158 6.476 1.00 0.00 H new ATOM 0 HA TRP A 37 -16.598 -9.541 7.642 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -19.382 -8.783 8.330 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -17.998 -9.006 9.382 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -20.227 -6.335 7.972 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -19.375 -3.887 8.504 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -15.600 -7.688 9.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -16.925 -2.862 9.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -14.013 -5.923 10.330 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -14.626 -3.539 10.180 1.00 0.00 H new TER 531 TRP A 37