USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 514 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 : X 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 5 THR OG1 : rot 180:sc= 0 USER MOD Single : X 16 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : X 25 TYR OH : rot 180:sc= 0 USER MOD Single : X 27 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : X 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 30 THR OG1 : rot 180:sc= 0 USER MOD Single : X 32 TYR OH : rot 180:sc= 0 USER MOD Single : X 34 SER OG : rot -12:sc= 0.0317 USER MOD Single : X 35 SER OG : rot 180:sc= 0 USER MOD Single : X 36 SER OG : rot 180:sc= 0 USER MOD Single : X 41 GLN : amide:sc= -0.0521 K(o=-0.052,f=-1.5!) USER MOD Single : X 42 THR OG1 : rot 180:sc= 0 USER MOD Single : X 52 SER OG : rot 180:sc= 0 USER MOD Single : X 60 MET CE :methyl 156:sc= -0.0898 (180deg=-0.821) USER MOD Single : X 61 TYR OH : rot 123:sc= 0.686 USER MOD Single : X 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 32.978 -19.036 30.690 1.00 0.00 N ATOM 2 CA GLY X 1 32.688 -18.874 29.237 1.00 0.00 C ATOM 3 C GLY X 1 33.975 -19.050 28.440 1.00 0.00 C ATOM 4 O GLY X 1 34.637 -20.084 28.531 1.00 0.00 O ATOM 0 H1 GLY X 1 32.100 -18.916 31.235 1.00 0.00 H new ATOM 0 H2 GLY X 1 33.366 -19.985 30.863 1.00 0.00 H new ATOM 0 H3 GLY X 1 33.671 -18.320 30.988 1.00 0.00 H new ATOM 0 HA2 GLY X 1 31.947 -19.608 28.919 1.00 0.00 H new ATOM 0 HA3 GLY X 1 32.262 -17.889 29.048 1.00 0.00 H new ATOM 10 N GLY X 2 34.321 -18.034 27.658 1.00 0.00 N ATOM 11 CA GLY X 2 35.531 -18.087 26.849 1.00 0.00 C ATOM 12 C GLY X 2 35.730 -16.783 26.083 1.00 0.00 C ATOM 13 O GLY X 2 34.934 -15.854 26.201 1.00 0.00 O ATOM 0 H GLY X 2 33.785 -17.171 27.568 1.00 0.00 H new ATOM 0 HA2 GLY X 2 36.394 -18.273 27.489 1.00 0.00 H new ATOM 0 HA3 GLY X 2 35.469 -18.919 26.148 1.00 0.00 H new ATOM 17 N PRO X 3 36.777 -16.705 25.302 1.00 0.00 N ATOM 18 CA PRO X 3 37.105 -15.502 24.487 1.00 0.00 C ATOM 19 C PRO X 3 36.023 -15.208 23.455 1.00 0.00 C ATOM 20 O PRO X 3 35.310 -16.111 23.007 1.00 0.00 O ATOM 21 CB PRO X 3 38.434 -15.861 23.802 1.00 0.00 C ATOM 22 CG PRO X 3 38.982 -16.998 24.590 1.00 0.00 C ATOM 23 CD PRO X 3 37.766 -17.759 25.093 1.00 0.00 C ATOM 0 HA PRO X 3 37.175 -14.602 25.098 1.00 0.00 H new ATOM 0 HB2 PRO X 3 38.277 -16.142 22.761 1.00 0.00 H new ATOM 0 HB3 PRO X 3 39.120 -15.014 23.803 1.00 0.00 H new ATOM 0 HG2 PRO X 3 39.617 -17.634 23.973 1.00 0.00 H new ATOM 0 HG3 PRO X 3 39.595 -16.643 25.419 1.00 0.00 H new ATOM 0 HD2 PRO X 3 37.423 -18.495 24.366 1.00 0.00 H new ATOM 0 HD3 PRO X 3 37.981 -18.298 26.016 1.00 0.00 H new ATOM 31 N GLU X 4 35.907 -13.943 23.087 1.00 0.00 N ATOM 32 CA GLU X 4 34.913 -13.522 22.107 1.00 0.00 C ATOM 33 C GLU X 4 35.446 -12.368 21.258 1.00 0.00 C ATOM 34 O GLU X 4 35.909 -11.358 21.783 1.00 0.00 O ATOM 35 CB GLU X 4 33.628 -13.082 22.814 1.00 0.00 C ATOM 36 CG GLU X 4 32.594 -12.643 21.773 1.00 0.00 C ATOM 37 CD GLU X 4 32.329 -13.775 20.787 1.00 0.00 C ATOM 38 OE1 GLU X 4 33.032 -13.843 19.792 1.00 0.00 O ATOM 39 OE2 GLU X 4 31.426 -14.555 21.039 1.00 0.00 O ATOM 0 H GLU X 4 36.488 -13.188 23.451 1.00 0.00 H new ATOM 0 HA GLU X 4 34.698 -14.370 21.456 1.00 0.00 H new ATOM 0 HB2 GLU X 4 33.231 -13.902 23.412 1.00 0.00 H new ATOM 0 HB3 GLU X 4 33.840 -12.261 23.499 1.00 0.00 H new ATOM 0 HG2 GLU X 4 31.666 -12.358 22.269 1.00 0.00 H new ATOM 0 HG3 GLU X 4 32.954 -11.763 21.240 1.00 0.00 H new ATOM 46 N THR X 5 35.364 -12.534 19.945 1.00 0.00 N ATOM 47 CA THR X 5 35.831 -11.504 19.016 1.00 0.00 C ATOM 48 C THR X 5 34.765 -11.195 17.969 1.00 0.00 C ATOM 49 O THR X 5 33.850 -11.989 17.745 1.00 0.00 O ATOM 50 CB THR X 5 37.112 -11.965 18.319 1.00 0.00 C ATOM 51 OG1 THR X 5 36.846 -13.150 17.579 1.00 0.00 O ATOM 52 CG2 THR X 5 38.192 -12.241 19.363 1.00 0.00 C ATOM 0 H THR X 5 34.981 -13.366 19.497 1.00 0.00 H new ATOM 0 HA THR X 5 36.034 -10.599 19.588 1.00 0.00 H new ATOM 0 HB THR X 5 37.459 -11.185 17.641 1.00 0.00 H new ATOM 0 HG1 THR X 5 37.665 -13.446 17.130 1.00 0.00 H new ATOM 0 HG21 THR X 5 39.104 -12.569 18.865 1.00 0.00 H new ATOM 0 HG22 THR X 5 38.394 -11.330 19.927 1.00 0.00 H new ATOM 0 HG23 THR X 5 37.849 -13.021 20.044 1.00 0.00 H new ATOM 60 N LEU X 6 34.886 -10.035 17.328 1.00 0.00 N ATOM 61 CA LEU X 6 33.924 -9.636 16.307 1.00 0.00 C ATOM 62 C LEU X 6 34.561 -9.687 14.924 1.00 0.00 C ATOM 63 O LEU X 6 35.526 -8.974 14.648 1.00 0.00 O ATOM 64 CB LEU X 6 33.435 -8.215 16.591 1.00 0.00 C ATOM 65 CG LEU X 6 32.798 -8.155 17.980 1.00 0.00 C ATOM 66 CD1 LEU X 6 32.434 -6.708 18.311 1.00 0.00 C ATOM 67 CD2 LEU X 6 31.528 -9.011 17.995 1.00 0.00 C ATOM 0 H LEU X 6 35.633 -9.361 17.496 1.00 0.00 H new ATOM 0 HA LEU X 6 33.082 -10.327 16.331 1.00 0.00 H new ATOM 0 HB2 LEU X 6 34.269 -7.515 16.532 1.00 0.00 H new ATOM 0 HB3 LEU X 6 32.711 -7.912 15.835 1.00 0.00 H new ATOM 0 HG LEU X 6 33.504 -8.533 18.720 1.00 0.00 H new ATOM 0 HD11 LEU X 6 31.980 -6.664 19.301 1.00 0.00 H new ATOM 0 HD12 LEU X 6 33.335 -6.094 18.298 1.00 0.00 H new ATOM 0 HD13 LEU X 6 31.728 -6.332 17.571 1.00 0.00 H new ATOM 0 HD21 LEU X 6 31.073 -8.969 18.985 1.00 0.00 H new ATOM 0 HD22 LEU X 6 30.824 -8.630 17.255 1.00 0.00 H new ATOM 0 HD23 LEU X 6 31.782 -10.044 17.756 1.00 0.00 H new ATOM 79 N CYS X 7 34.015 -10.532 14.055 1.00 0.00 N ATOM 80 CA CYS X 7 34.539 -10.664 12.702 1.00 0.00 C ATOM 81 C CYS X 7 33.478 -11.255 11.779 1.00 0.00 C ATOM 82 O CYS X 7 32.757 -12.177 12.160 1.00 0.00 O ATOM 83 CB CYS X 7 35.780 -11.559 12.703 1.00 0.00 C ATOM 84 SG CYS X 7 36.614 -11.432 11.103 1.00 0.00 S ATOM 0 H CYS X 7 33.216 -11.131 14.262 1.00 0.00 H new ATOM 0 HA CYS X 7 34.813 -9.674 12.338 1.00 0.00 H new ATOM 0 HB2 CYS X 7 36.457 -11.260 13.503 1.00 0.00 H new ATOM 0 HB3 CYS X 7 35.496 -12.593 12.896 1.00 0.00 H new ATOM 89 N GLY X 8 33.386 -10.721 10.564 1.00 0.00 N ATOM 90 CA GLY X 8 32.407 -11.209 9.601 1.00 0.00 C ATOM 91 C GLY X 8 31.168 -10.321 9.588 1.00 0.00 C ATOM 92 O GLY X 8 31.253 -9.116 9.822 1.00 0.00 O ATOM 0 H GLY X 8 33.972 -9.957 10.226 1.00 0.00 H new ATOM 0 HA2 GLY X 8 32.851 -11.235 8.606 1.00 0.00 H new ATOM 0 HA3 GLY X 8 32.124 -12.232 9.850 1.00 0.00 H new ATOM 96 N ALA X 9 30.018 -10.925 9.311 1.00 0.00 N ATOM 97 CA ALA X 9 28.767 -10.179 9.271 1.00 0.00 C ATOM 98 C ALA X 9 28.489 -9.532 10.619 1.00 0.00 C ATOM 99 O ALA X 9 27.975 -8.418 10.682 1.00 0.00 O ATOM 100 CB ALA X 9 27.606 -11.106 8.912 1.00 0.00 C ATOM 0 H ALA X 9 29.926 -11.921 9.112 1.00 0.00 H new ATOM 0 HA ALA X 9 28.861 -9.403 8.511 1.00 0.00 H new ATOM 0 HB1 ALA X 9 26.678 -10.534 8.886 1.00 0.00 H new ATOM 0 HB2 ALA X 9 27.785 -11.551 7.933 1.00 0.00 H new ATOM 0 HB3 ALA X 9 27.525 -11.895 9.660 1.00 0.00 H new ATOM 106 N GLU X 10 28.815 -10.240 11.694 1.00 0.00 N ATOM 107 CA GLU X 10 28.579 -9.717 13.032 1.00 0.00 C ATOM 108 C GLU X 10 29.349 -8.417 13.242 1.00 0.00 C ATOM 109 O GLU X 10 28.822 -7.461 13.809 1.00 0.00 O ATOM 110 CB GLU X 10 29.029 -10.743 14.076 1.00 0.00 C ATOM 111 CG GLU X 10 28.076 -11.940 14.061 1.00 0.00 C ATOM 112 CD GLU X 10 28.583 -13.024 15.006 1.00 0.00 C ATOM 113 OE1 GLU X 10 29.710 -12.909 15.460 1.00 0.00 O ATOM 114 OE2 GLU X 10 27.836 -13.953 15.265 1.00 0.00 O ATOM 0 H GLU X 10 29.239 -11.167 11.666 1.00 0.00 H new ATOM 0 HA GLU X 10 27.513 -9.521 13.143 1.00 0.00 H new ATOM 0 HB2 GLU X 10 30.046 -11.072 13.863 1.00 0.00 H new ATOM 0 HB3 GLU X 10 29.042 -10.288 15.066 1.00 0.00 H new ATOM 0 HG2 GLU X 10 27.077 -11.623 14.361 1.00 0.00 H new ATOM 0 HG3 GLU X 10 27.994 -12.337 13.049 1.00 0.00 H new ATOM 121 N LEU X 11 30.593 -8.381 12.774 1.00 0.00 N ATOM 122 CA LEU X 11 31.408 -7.182 12.918 1.00 0.00 C ATOM 123 C LEU X 11 30.786 -6.018 12.152 1.00 0.00 C ATOM 124 O LEU X 11 30.664 -4.911 12.676 1.00 0.00 O ATOM 125 CB LEU X 11 32.820 -7.448 12.390 1.00 0.00 C ATOM 126 CG LEU X 11 33.677 -6.183 12.524 1.00 0.00 C ATOM 127 CD1 LEU X 11 33.822 -5.812 14.001 1.00 0.00 C ATOM 128 CD2 LEU X 11 35.058 -6.438 11.918 1.00 0.00 C ATOM 0 H LEU X 11 31.053 -9.157 12.298 1.00 0.00 H new ATOM 0 HA LEU X 11 31.458 -6.921 13.975 1.00 0.00 H new ATOM 0 HB2 LEU X 11 33.277 -8.267 12.946 1.00 0.00 H new ATOM 0 HB3 LEU X 11 32.774 -7.757 11.346 1.00 0.00 H new ATOM 0 HG LEU X 11 33.195 -5.361 11.995 1.00 0.00 H new ATOM 0 HD11 LEU X 11 34.431 -4.913 14.092 1.00 0.00 H new ATOM 0 HD12 LEU X 11 32.836 -5.627 14.428 1.00 0.00 H new ATOM 0 HD13 LEU X 11 34.302 -6.631 14.537 1.00 0.00 H new ATOM 0 HD21 LEU X 11 35.668 -5.540 12.012 1.00 0.00 H new ATOM 0 HD22 LEU X 11 35.540 -7.261 12.445 1.00 0.00 H new ATOM 0 HD23 LEU X 11 34.951 -6.695 10.864 1.00 0.00 H new ATOM 140 N VAL X 12 30.390 -6.278 10.909 1.00 0.00 N ATOM 141 CA VAL X 12 29.782 -5.241 10.084 1.00 0.00 C ATOM 142 C VAL X 12 28.490 -4.728 10.713 1.00 0.00 C ATOM 143 O VAL X 12 28.262 -3.522 10.798 1.00 0.00 O ATOM 144 CB VAL X 12 29.496 -5.792 8.685 1.00 0.00 C ATOM 145 CG1 VAL X 12 28.560 -4.840 7.937 1.00 0.00 C ATOM 146 CG2 VAL X 12 30.817 -5.894 7.910 1.00 0.00 C ATOM 0 H VAL X 12 30.478 -7.187 10.456 1.00 0.00 H new ATOM 0 HA VAL X 12 30.481 -4.408 10.011 1.00 0.00 H new ATOM 0 HB VAL X 12 29.029 -6.773 8.770 1.00 0.00 H new ATOM 0 HG11 VAL X 12 28.359 -5.235 6.941 1.00 0.00 H new ATOM 0 HG12 VAL X 12 27.623 -4.745 8.486 1.00 0.00 H new ATOM 0 HG13 VAL X 12 29.031 -3.861 7.850 1.00 0.00 H new ATOM 0 HG21 VAL X 12 30.624 -6.286 6.911 1.00 0.00 H new ATOM 0 HG22 VAL X 12 31.270 -4.906 7.831 1.00 0.00 H new ATOM 0 HG23 VAL X 12 31.497 -6.563 8.437 1.00 0.00 H new ATOM 156 N ASP X 13 27.656 -5.660 11.153 1.00 0.00 N ATOM 157 CA ASP X 13 26.391 -5.310 11.778 1.00 0.00 C ATOM 158 C ASP X 13 26.635 -4.511 13.051 1.00 0.00 C ATOM 159 O ASP X 13 25.923 -3.546 13.336 1.00 0.00 O ATOM 160 CB ASP X 13 25.597 -6.583 12.097 1.00 0.00 C ATOM 161 CG ASP X 13 25.043 -7.193 10.815 1.00 0.00 C ATOM 162 OD1 ASP X 13 25.070 -6.517 9.800 1.00 0.00 O ATOM 163 OD2 ASP X 13 24.594 -8.326 10.870 1.00 0.00 O ATOM 0 H ASP X 13 27.833 -6.662 11.088 1.00 0.00 H new ATOM 0 HA ASP X 13 25.814 -4.696 11.087 1.00 0.00 H new ATOM 0 HB2 ASP X 13 26.239 -7.304 12.603 1.00 0.00 H new ATOM 0 HB3 ASP X 13 24.780 -6.349 12.780 1.00 0.00 H new ATOM 168 N ALA X 14 27.648 -4.913 13.810 1.00 0.00 N ATOM 169 CA ALA X 14 27.981 -4.221 15.047 1.00 0.00 C ATOM 170 C ALA X 14 28.374 -2.779 14.761 1.00 0.00 C ATOM 171 O ALA X 14 28.012 -1.872 15.507 1.00 0.00 O ATOM 172 CB ALA X 14 29.128 -4.935 15.759 1.00 0.00 C ATOM 0 H ALA X 14 28.248 -5.708 13.592 1.00 0.00 H new ATOM 0 HA ALA X 14 27.101 -4.226 15.691 1.00 0.00 H new ATOM 0 HB1 ALA X 14 29.367 -4.408 16.682 1.00 0.00 H new ATOM 0 HB2 ALA X 14 28.831 -5.958 15.992 1.00 0.00 H new ATOM 0 HB3 ALA X 14 30.005 -4.950 15.112 1.00 0.00 H new ATOM 178 N LEU X 15 29.120 -2.574 13.679 1.00 0.00 N ATOM 179 CA LEU X 15 29.558 -1.234 13.310 1.00 0.00 C ATOM 180 C LEU X 15 28.362 -0.332 13.038 1.00 0.00 C ATOM 181 O LEU X 15 28.344 0.826 13.454 1.00 0.00 O ATOM 182 CB LEU X 15 30.437 -1.303 12.058 1.00 0.00 C ATOM 183 CG LEU X 15 31.787 -1.931 12.407 1.00 0.00 C ATOM 184 CD1 LEU X 15 32.530 -2.297 11.120 1.00 0.00 C ATOM 185 CD2 LEU X 15 32.627 -0.919 13.190 1.00 0.00 C ATOM 0 H LEU X 15 29.431 -3.313 13.048 1.00 0.00 H new ATOM 0 HA LEU X 15 30.130 -0.818 14.140 1.00 0.00 H new ATOM 0 HB2 LEU X 15 29.941 -1.891 11.286 1.00 0.00 H new ATOM 0 HB3 LEU X 15 30.585 -0.303 11.651 1.00 0.00 H new ATOM 0 HG LEU X 15 31.624 -2.827 13.007 1.00 0.00 H new ATOM 0 HD11 LEU X 15 33.492 -2.744 11.370 1.00 0.00 H new ATOM 0 HD12 LEU X 15 31.936 -3.009 10.547 1.00 0.00 H new ATOM 0 HD13 LEU X 15 32.692 -1.398 10.525 1.00 0.00 H new ATOM 0 HD21 LEU X 15 33.590 -1.363 13.441 1.00 0.00 H new ATOM 0 HD22 LEU X 15 32.785 -0.029 12.581 1.00 0.00 H new ATOM 0 HD23 LEU X 15 32.105 -0.644 14.106 1.00 0.00 H new ATOM 197 N GLN X 16 27.365 -0.869 12.342 1.00 0.00 N ATOM 198 CA GLN X 16 26.172 -0.095 12.031 1.00 0.00 C ATOM 199 C GLN X 16 25.432 0.270 13.310 1.00 0.00 C ATOM 200 O GLN X 16 24.959 1.389 13.464 1.00 0.00 O ATOM 201 CB GLN X 16 25.250 -0.904 11.120 1.00 0.00 C ATOM 202 CG GLN X 16 25.896 -1.043 9.741 1.00 0.00 C ATOM 203 CD GLN X 16 24.998 -1.861 8.824 1.00 0.00 C ATOM 204 OE1 GLN X 16 23.774 -1.732 8.870 1.00 0.00 O ATOM 205 NE2 GLN X 16 25.536 -2.699 7.981 1.00 0.00 N ATOM 0 H GLN X 16 27.360 -1.825 11.987 1.00 0.00 H new ATOM 0 HA GLN X 16 26.473 0.820 11.521 1.00 0.00 H new ATOM 0 HB2 GLN X 16 25.068 -1.889 11.550 1.00 0.00 H new ATOM 0 HB3 GLN X 16 24.282 -0.411 11.033 1.00 0.00 H new ATOM 0 HG2 GLN X 16 26.068 -0.057 9.310 1.00 0.00 H new ATOM 0 HG3 GLN X 16 26.870 -1.524 9.834 1.00 0.00 H new ATOM 0 HE21 GLN X 16 26.550 -2.805 7.944 1.00 0.00 H new ATOM 0 HE22 GLN X 16 24.943 -3.248 7.359 1.00 0.00 H new ATOM 214 N PHE X 17 25.340 -0.686 14.227 1.00 0.00 N ATOM 215 CA PHE X 17 24.666 -0.449 15.504 1.00 0.00 C ATOM 216 C PHE X 17 25.377 0.623 16.322 1.00 0.00 C ATOM 217 O PHE X 17 24.750 1.557 16.820 1.00 0.00 O ATOM 218 CB PHE X 17 24.622 -1.742 16.314 1.00 0.00 C ATOM 219 CG PHE X 17 24.172 -1.441 17.727 1.00 0.00 C ATOM 220 CD1 PHE X 17 22.807 -1.365 18.036 1.00 0.00 C ATOM 221 CD2 PHE X 17 25.131 -1.228 18.729 1.00 0.00 C ATOM 222 CE1 PHE X 17 22.401 -1.082 19.348 1.00 0.00 C ATOM 223 CE2 PHE X 17 24.724 -0.944 20.040 1.00 0.00 C ATOM 224 CZ PHE X 17 23.359 -0.872 20.348 1.00 0.00 C ATOM 0 H PHE X 17 25.719 -1.626 14.115 1.00 0.00 H new ATOM 0 HA PHE X 17 23.655 -0.105 15.285 1.00 0.00 H new ATOM 0 HB2 PHE X 17 23.939 -2.452 15.848 1.00 0.00 H new ATOM 0 HB3 PHE X 17 25.607 -2.209 16.327 1.00 0.00 H new ATOM 0 HD1 PHE X 17 22.068 -1.524 17.264 1.00 0.00 H new ATOM 0 HD2 PHE X 17 26.183 -1.283 18.490 1.00 0.00 H new ATOM 0 HE1 PHE X 17 21.349 -1.026 19.587 1.00 0.00 H new ATOM 0 HE2 PHE X 17 25.462 -0.781 20.812 1.00 0.00 H new ATOM 0 HZ PHE X 17 23.045 -0.654 21.358 1.00 0.00 H new ATOM 234 N VAL X 18 26.688 0.464 16.480 1.00 0.00 N ATOM 235 CA VAL X 18 27.471 1.406 17.267 1.00 0.00 C ATOM 236 C VAL X 18 27.452 2.801 16.643 1.00 0.00 C ATOM 237 O VAL X 18 27.209 3.794 17.325 1.00 0.00 O ATOM 238 CB VAL X 18 28.919 0.918 17.365 1.00 0.00 C ATOM 239 CG1 VAL X 18 29.776 1.982 18.053 1.00 0.00 C ATOM 240 CG2 VAL X 18 28.973 -0.377 18.182 1.00 0.00 C ATOM 0 H VAL X 18 27.226 -0.303 16.076 1.00 0.00 H new ATOM 0 HA VAL X 18 27.027 1.465 18.261 1.00 0.00 H new ATOM 0 HB VAL X 18 29.302 0.733 16.361 1.00 0.00 H new ATOM 0 HG11 VAL X 18 30.806 1.632 18.121 1.00 0.00 H new ATOM 0 HG12 VAL X 18 29.744 2.905 17.474 1.00 0.00 H new ATOM 0 HG13 VAL X 18 29.389 2.169 19.055 1.00 0.00 H new ATOM 0 HG21 VAL X 18 30.005 -0.722 18.250 1.00 0.00 H new ATOM 0 HG22 VAL X 18 28.586 -0.192 19.184 1.00 0.00 H new ATOM 0 HG23 VAL X 18 28.367 -1.140 17.694 1.00 0.00 H new ATOM 250 N CYS X 19 27.721 2.863 15.346 1.00 0.00 N ATOM 251 CA CYS X 19 27.747 4.137 14.639 1.00 0.00 C ATOM 252 C CYS X 19 26.333 4.719 14.543 1.00 0.00 C ATOM 253 O CYS X 19 26.128 5.934 14.634 1.00 0.00 O ATOM 254 CB CYS X 19 28.318 3.938 13.230 1.00 0.00 C ATOM 255 SG CYS X 19 30.046 3.378 13.304 1.00 0.00 S ATOM 0 H CYS X 19 27.923 2.050 14.764 1.00 0.00 H new ATOM 0 HA CYS X 19 28.380 4.832 15.192 1.00 0.00 H new ATOM 0 HB2 CYS X 19 27.717 3.206 12.690 1.00 0.00 H new ATOM 0 HB3 CYS X 19 28.258 4.873 12.673 1.00 0.00 H new ATOM 260 N GLY X 20 25.359 3.842 14.350 1.00 0.00 N ATOM 261 CA GLY X 20 23.971 4.270 14.233 1.00 0.00 C ATOM 262 C GLY X 20 23.787 5.194 13.037 1.00 0.00 C ATOM 263 O GLY X 20 24.227 4.885 11.929 1.00 0.00 O ATOM 0 H GLY X 20 25.502 2.835 14.271 1.00 0.00 H new ATOM 0 HA2 GLY X 20 23.325 3.398 14.127 1.00 0.00 H new ATOM 0 HA3 GLY X 20 23.666 4.784 15.145 1.00 0.00 H new ATOM 267 N ASP X 21 23.141 6.328 13.271 1.00 0.00 N ATOM 268 CA ASP X 21 22.895 7.292 12.208 1.00 0.00 C ATOM 269 C ASP X 21 24.209 7.755 11.594 1.00 0.00 C ATOM 270 O ASP X 21 24.284 8.016 10.393 1.00 0.00 O ATOM 271 CB ASP X 21 22.135 8.504 12.756 1.00 0.00 C ATOM 272 CG ASP X 21 20.696 8.115 13.077 1.00 0.00 C ATOM 273 OD1 ASP X 21 20.288 7.040 12.671 1.00 0.00 O ATOM 274 OD2 ASP X 21 20.019 8.903 13.719 1.00 0.00 O ATOM 0 H ASP X 21 22.779 6.602 14.184 1.00 0.00 H new ATOM 0 HA ASP X 21 22.294 6.806 11.440 1.00 0.00 H new ATOM 0 HB2 ASP X 21 22.628 8.878 13.653 1.00 0.00 H new ATOM 0 HB3 ASP X 21 22.148 9.313 12.025 1.00 0.00 H new ATOM 279 N ARG X 22 25.244 7.857 12.418 1.00 0.00 N ATOM 280 CA ARG X 22 26.543 8.293 11.931 1.00 0.00 C ATOM 281 C ARG X 22 27.074 7.324 10.880 1.00 0.00 C ATOM 282 O ARG X 22 27.663 7.737 9.883 1.00 0.00 O ATOM 283 CB ARG X 22 27.529 8.375 13.096 1.00 0.00 C ATOM 284 CG ARG X 22 27.128 9.524 14.022 1.00 0.00 C ATOM 285 CD ARG X 22 27.990 9.480 15.283 1.00 0.00 C ATOM 286 NE ARG X 22 27.669 8.304 16.085 1.00 0.00 N ATOM 287 CZ ARG X 22 28.376 7.991 17.172 1.00 0.00 C ATOM 288 NH1 ARG X 22 29.388 8.733 17.551 1.00 0.00 N ATOM 289 NH2 ARG X 22 28.056 6.935 17.869 1.00 0.00 N ATOM 0 H ARG X 22 25.209 7.646 13.415 1.00 0.00 H new ATOM 0 HA ARG X 22 26.431 9.277 11.476 1.00 0.00 H new ATOM 0 HB2 ARG X 22 27.536 7.435 13.647 1.00 0.00 H new ATOM 0 HB3 ARG X 22 28.540 8.532 12.720 1.00 0.00 H new ATOM 0 HG2 ARG X 22 27.257 10.479 13.513 1.00 0.00 H new ATOM 0 HG3 ARG X 22 26.073 9.443 14.285 1.00 0.00 H new ATOM 0 HD2 ARG X 22 29.045 9.462 15.008 1.00 0.00 H new ATOM 0 HD3 ARG X 22 27.829 10.383 15.872 1.00 0.00 H new ATOM 0 HE ARG X 22 26.888 7.709 15.809 1.00 0.00 H new ATOM 0 HH11 ARG X 22 29.643 9.561 17.013 1.00 0.00 H new ATOM 0 HH12 ARG X 22 29.920 8.482 18.384 1.00 0.00 H new ATOM 0 HH21 ARG X 22 27.269 6.354 17.582 1.00 0.00 H new ATOM 0 HH22 ARG X 22 28.593 6.691 18.701 1.00 0.00 H new ATOM 303 N GLY X 23 26.861 6.031 11.109 1.00 0.00 N ATOM 304 CA GLY X 23 27.325 5.016 10.168 1.00 0.00 C ATOM 305 C GLY X 23 28.849 5.025 10.068 1.00 0.00 C ATOM 306 O GLY X 23 29.532 5.593 10.916 1.00 0.00 O ATOM 0 H GLY X 23 26.376 5.664 11.928 1.00 0.00 H new ATOM 0 HA2 GLY X 23 26.983 4.032 10.489 1.00 0.00 H new ATOM 0 HA3 GLY X 23 26.891 5.199 9.185 1.00 0.00 H new ATOM 310 N PHE X 24 29.373 4.398 9.020 1.00 0.00 N ATOM 311 CA PHE X 24 30.817 4.349 8.811 1.00 0.00 C ATOM 312 C PHE X 24 31.135 4.119 7.337 1.00 0.00 C ATOM 313 O PHE X 24 30.274 3.692 6.568 1.00 0.00 O ATOM 314 CB PHE X 24 31.438 3.237 9.660 1.00 0.00 C ATOM 315 CG PHE X 24 30.872 1.908 9.246 1.00 0.00 C ATOM 316 CD1 PHE X 24 31.527 1.138 8.280 1.00 0.00 C ATOM 317 CD2 PHE X 24 29.683 1.450 9.820 1.00 0.00 C ATOM 318 CE1 PHE X 24 30.990 -0.093 7.891 1.00 0.00 C ATOM 319 CE2 PHE X 24 29.150 0.221 9.434 1.00 0.00 C ATOM 320 CZ PHE X 24 29.801 -0.552 8.468 1.00 0.00 C ATOM 0 H PHE X 24 28.824 3.919 8.306 1.00 0.00 H new ATOM 0 HA PHE X 24 31.242 5.305 9.115 1.00 0.00 H new ATOM 0 HB2 PHE X 24 32.521 3.236 9.539 1.00 0.00 H new ATOM 0 HB3 PHE X 24 31.236 3.416 10.716 1.00 0.00 H new ATOM 0 HD1 PHE X 24 32.445 1.493 7.836 1.00 0.00 H new ATOM 0 HD2 PHE X 24 29.177 2.048 10.563 1.00 0.00 H new ATOM 0 HE1 PHE X 24 31.493 -0.690 7.145 1.00 0.00 H new ATOM 0 HE2 PHE X 24 28.234 -0.134 9.882 1.00 0.00 H new ATOM 0 HZ PHE X 24 29.386 -1.503 8.167 1.00 0.00 H new ATOM 330 N TYR X 25 32.372 4.407 6.949 1.00 0.00 N ATOM 331 CA TYR X 25 32.784 4.230 5.561 1.00 0.00 C ATOM 332 C TYR X 25 34.251 3.818 5.488 1.00 0.00 C ATOM 333 O TYR X 25 34.988 3.938 6.467 1.00 0.00 O ATOM 334 CB TYR X 25 32.587 5.532 4.781 1.00 0.00 C ATOM 335 CG TYR X 25 33.580 6.565 5.264 1.00 0.00 C ATOM 336 CD1 TYR X 25 34.833 6.668 4.647 1.00 0.00 C ATOM 337 CD2 TYR X 25 33.249 7.417 6.322 1.00 0.00 C ATOM 338 CE1 TYR X 25 35.756 7.618 5.091 1.00 0.00 C ATOM 339 CE2 TYR X 25 34.175 8.370 6.767 1.00 0.00 C ATOM 340 CZ TYR X 25 35.428 8.473 6.150 1.00 0.00 C ATOM 341 OH TYR X 25 36.337 9.413 6.586 1.00 0.00 O ATOM 0 H TYR X 25 33.101 4.761 7.569 1.00 0.00 H new ATOM 0 HA TYR X 25 32.169 3.445 5.121 1.00 0.00 H new ATOM 0 HB2 TYR X 25 32.722 5.353 3.714 1.00 0.00 H new ATOM 0 HB3 TYR X 25 31.570 5.899 4.916 1.00 0.00 H new ATOM 0 HD1 TYR X 25 35.086 6.012 3.827 1.00 0.00 H new ATOM 0 HD2 TYR X 25 32.281 7.341 6.795 1.00 0.00 H new ATOM 0 HE1 TYR X 25 36.723 7.693 4.617 1.00 0.00 H new ATOM 0 HE2 TYR X 25 33.922 9.026 7.587 1.00 0.00 H new ATOM 0 HH TYR X 25 35.949 9.924 7.327 1.00 0.00 H new ATOM 351 N PHE X 26 34.670 3.336 4.323 1.00 0.00 N ATOM 352 CA PHE X 26 36.052 2.914 4.137 1.00 0.00 C ATOM 353 C PHE X 26 36.752 3.806 3.119 1.00 0.00 C ATOM 354 O PHE X 26 36.203 4.103 2.057 1.00 0.00 O ATOM 355 CB PHE X 26 36.093 1.463 3.656 1.00 0.00 C ATOM 356 CG PHE X 26 35.469 0.566 4.699 1.00 0.00 C ATOM 357 CD1 PHE X 26 34.103 0.264 4.634 1.00 0.00 C ATOM 358 CD2 PHE X 26 36.253 0.037 5.728 1.00 0.00 C ATOM 359 CE1 PHE X 26 33.522 -0.565 5.600 1.00 0.00 C ATOM 360 CE2 PHE X 26 35.673 -0.794 6.695 1.00 0.00 C ATOM 361 CZ PHE X 26 34.308 -1.095 6.630 1.00 0.00 C ATOM 0 H PHE X 26 34.077 3.229 3.500 1.00 0.00 H new ATOM 0 HA PHE X 26 36.569 2.997 5.093 1.00 0.00 H new ATOM 0 HB2 PHE X 26 35.557 1.367 2.712 1.00 0.00 H new ATOM 0 HB3 PHE X 26 37.123 1.160 3.470 1.00 0.00 H new ATOM 0 HD1 PHE X 26 33.498 0.671 3.838 1.00 0.00 H new ATOM 0 HD2 PHE X 26 37.307 0.269 5.778 1.00 0.00 H new ATOM 0 HE1 PHE X 26 32.468 -0.796 5.551 1.00 0.00 H new ATOM 0 HE2 PHE X 26 36.279 -1.202 7.490 1.00 0.00 H new ATOM 0 HZ PHE X 26 33.861 -1.737 7.375 1.00 0.00 H new ATOM 371 N ASN X 27 37.968 4.230 3.447 1.00 0.00 N ATOM 372 CA ASN X 27 38.735 5.088 2.553 1.00 0.00 C ATOM 373 C ASN X 27 39.591 4.246 1.614 1.00 0.00 C ATOM 374 O ASN X 27 40.613 3.693 2.019 1.00 0.00 O ATOM 375 CB ASN X 27 39.636 6.020 3.364 1.00 0.00 C ATOM 376 CG ASN X 27 40.430 6.925 2.429 1.00 0.00 C ATOM 377 OD1 ASN X 27 41.561 6.600 2.062 1.00 0.00 O ATOM 378 ND2 ASN X 27 39.907 8.049 2.021 1.00 0.00 N ATOM 0 H ASN X 27 38.441 3.995 4.320 1.00 0.00 H new ATOM 0 HA ASN X 27 38.037 5.682 1.963 1.00 0.00 H new ATOM 0 HB2 ASN X 27 39.032 6.624 4.041 1.00 0.00 H new ATOM 0 HB3 ASN X 27 40.317 5.434 3.981 1.00 0.00 H new ATOM 0 HD21 ASN X 27 40.434 8.660 1.397 1.00 0.00 H new ATOM 0 HD22 ASN X 27 38.971 8.316 2.326 1.00 0.00 H new ATOM 385 N LYS X 28 39.169 4.156 0.356 1.00 0.00 N ATOM 386 CA LYS X 28 39.906 3.379 -0.634 1.00 0.00 C ATOM 387 C LYS X 28 40.234 1.990 -0.098 1.00 0.00 C ATOM 388 O LYS X 28 41.402 1.628 0.050 1.00 0.00 O ATOM 389 CB LYS X 28 41.199 4.105 -1.009 1.00 0.00 C ATOM 390 CG LYS X 28 40.873 5.506 -1.534 1.00 0.00 C ATOM 391 CD LYS X 28 40.096 5.402 -2.849 1.00 0.00 C ATOM 392 CE LYS X 28 39.864 6.801 -3.416 1.00 0.00 C ATOM 393 NZ LYS X 28 39.088 6.696 -4.684 1.00 0.00 N ATOM 0 H LYS X 28 38.327 4.608 0.000 1.00 0.00 H new ATOM 0 HA LYS X 28 39.280 3.270 -1.520 1.00 0.00 H new ATOM 0 HB2 LYS X 28 41.853 4.175 -0.140 1.00 0.00 H new ATOM 0 HB3 LYS X 28 41.738 3.538 -1.768 1.00 0.00 H new ATOM 0 HG2 LYS X 28 40.285 6.053 -0.796 1.00 0.00 H new ATOM 0 HG3 LYS X 28 41.793 6.069 -1.689 1.00 0.00 H new ATOM 0 HD2 LYS X 28 40.651 4.796 -3.565 1.00 0.00 H new ATOM 0 HD3 LYS X 28 39.141 4.903 -2.681 1.00 0.00 H new ATOM 0 HE2 LYS X 28 39.323 7.413 -2.695 1.00 0.00 H new ATOM 0 HE3 LYS X 28 40.818 7.294 -3.600 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 38.928 7.647 -5.073 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 39.621 6.126 -5.371 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 38.172 6.241 -4.494 1.00 0.00 H new ATOM 407 N PRO X 29 39.225 1.214 0.198 1.00 0.00 N ATOM 408 CA PRO X 29 39.398 -0.166 0.735 1.00 0.00 C ATOM 409 C PRO X 29 40.033 -1.104 -0.287 1.00 0.00 C ATOM 410 O PRO X 29 40.616 -2.126 0.071 1.00 0.00 O ATOM 411 CB PRO X 29 37.970 -0.605 1.076 1.00 0.00 C ATOM 412 CG PRO X 29 37.085 0.237 0.224 1.00 0.00 C ATOM 413 CD PRO X 29 37.805 1.565 0.044 1.00 0.00 C ATOM 0 HA PRO X 29 40.069 -0.192 1.593 1.00 0.00 H new ATOM 0 HB2 PRO X 29 37.824 -1.665 0.867 1.00 0.00 H new ATOM 0 HB3 PRO X 29 37.755 -0.456 2.134 1.00 0.00 H new ATOM 0 HG2 PRO X 29 36.903 -0.240 -0.739 1.00 0.00 H new ATOM 0 HG3 PRO X 29 36.114 0.382 0.697 1.00 0.00 H new ATOM 0 HD2 PRO X 29 37.604 2.000 -0.935 1.00 0.00 H new ATOM 0 HD3 PRO X 29 37.490 2.296 0.789 1.00 0.00 H new ATOM 421 N THR X 30 39.914 -0.749 -1.563 1.00 0.00 N ATOM 422 CA THR X 30 40.480 -1.567 -2.630 1.00 0.00 C ATOM 423 C THR X 30 41.271 -0.702 -3.606 1.00 0.00 C ATOM 424 O THR X 30 41.073 0.512 -3.677 1.00 0.00 O ATOM 425 CB THR X 30 39.360 -2.294 -3.379 1.00 0.00 C ATOM 426 OG1 THR X 30 38.507 -1.339 -3.995 1.00 0.00 O ATOM 427 CG2 THR X 30 38.553 -3.143 -2.396 1.00 0.00 C ATOM 0 H THR X 30 39.435 0.093 -1.881 1.00 0.00 H new ATOM 0 HA THR X 30 41.154 -2.299 -2.184 1.00 0.00 H new ATOM 0 HB THR X 30 39.793 -2.941 -4.142 1.00 0.00 H new ATOM 0 HG1 THR X 30 37.790 -1.803 -4.476 1.00 0.00 H new ATOM 0 HG21 THR X 30 37.756 -3.660 -2.931 1.00 0.00 H new ATOM 0 HG22 THR X 30 39.208 -3.876 -1.925 1.00 0.00 H new ATOM 0 HG23 THR X 30 38.119 -2.500 -1.631 1.00 0.00 H new ATOM 435 N GLY X 31 42.165 -1.333 -4.361 1.00 0.00 N ATOM 436 CA GLY X 31 42.980 -0.612 -5.332 1.00 0.00 C ATOM 437 C GLY X 31 44.462 -0.769 -5.015 1.00 0.00 C ATOM 438 O GLY X 31 45.000 -0.072 -4.155 1.00 0.00 O ATOM 0 H GLY X 31 42.343 -2.337 -4.320 1.00 0.00 H new ATOM 0 HA2 GLY X 31 42.776 -0.987 -6.335 1.00 0.00 H new ATOM 0 HA3 GLY X 31 42.712 0.444 -5.326 1.00 0.00 H new ATOM 442 N TYR X 32 45.115 -1.688 -5.717 1.00 0.00 N ATOM 443 CA TYR X 32 46.537 -1.931 -5.505 1.00 0.00 C ATOM 444 C TYR X 32 47.352 -0.685 -5.835 1.00 0.00 C ATOM 445 O TYR X 32 47.127 -0.039 -6.858 1.00 0.00 O ATOM 446 CB TYR X 32 47.005 -3.099 -6.377 1.00 0.00 C ATOM 447 CG TYR X 32 48.486 -3.313 -6.174 1.00 0.00 C ATOM 448 CD1 TYR X 32 48.952 -3.913 -4.998 1.00 0.00 C ATOM 449 CD2 TYR X 32 49.394 -2.917 -7.164 1.00 0.00 C ATOM 450 CE1 TYR X 32 50.324 -4.115 -4.809 1.00 0.00 C ATOM 451 CE2 TYR X 32 50.768 -3.117 -6.975 1.00 0.00 C ATOM 452 CZ TYR X 32 51.232 -3.718 -5.798 1.00 0.00 C ATOM 453 OH TYR X 32 52.585 -3.916 -5.612 1.00 0.00 O ATOM 0 H TYR X 32 44.686 -2.274 -6.433 1.00 0.00 H new ATOM 0 HA TYR X 32 46.689 -2.180 -4.455 1.00 0.00 H new ATOM 0 HB2 TYR X 32 46.456 -4.004 -6.117 1.00 0.00 H new ATOM 0 HB3 TYR X 32 46.797 -2.890 -7.426 1.00 0.00 H new ATOM 0 HD1 TYR X 32 48.252 -4.220 -4.235 1.00 0.00 H new ATOM 0 HD2 TYR X 32 49.035 -2.457 -8.073 1.00 0.00 H new ATOM 0 HE1 TYR X 32 50.682 -4.577 -3.901 1.00 0.00 H new ATOM 0 HE2 TYR X 32 51.469 -2.808 -7.736 1.00 0.00 H new ATOM 0 HH TYR X 32 53.075 -3.585 -6.394 1.00 0.00 H new ATOM 463 N GLY X 33 48.297 -0.354 -4.962 1.00 0.00 N ATOM 464 CA GLY X 33 49.140 0.818 -5.174 1.00 0.00 C ATOM 465 C GLY X 33 50.568 0.407 -5.517 1.00 0.00 C ATOM 466 O GLY X 33 51.120 -0.517 -4.920 1.00 0.00 O ATOM 0 H GLY X 33 48.498 -0.875 -4.108 1.00 0.00 H new ATOM 0 HA2 GLY X 33 48.729 1.426 -5.980 1.00 0.00 H new ATOM 0 HA3 GLY X 33 49.141 1.437 -4.277 1.00 0.00 H new ATOM 470 N SER X 34 51.162 1.108 -6.476 1.00 0.00 N ATOM 471 CA SER X 34 52.530 0.818 -6.884 1.00 0.00 C ATOM 472 C SER X 34 53.493 1.877 -6.345 1.00 0.00 C ATOM 473 O SER X 34 54.700 1.799 -6.571 1.00 0.00 O ATOM 474 CB SER X 34 52.621 0.768 -8.409 1.00 0.00 C ATOM 475 OG SER X 34 51.800 -0.287 -8.891 1.00 0.00 O ATOM 0 H SER X 34 50.721 1.876 -6.982 1.00 0.00 H new ATOM 0 HA SER X 34 52.812 -0.151 -6.472 1.00 0.00 H new ATOM 0 HB2 SER X 34 52.301 1.718 -8.836 1.00 0.00 H new ATOM 0 HB3 SER X 34 53.654 0.612 -8.719 1.00 0.00 H new ATOM 0 HG SER X 34 51.528 -0.858 -8.142 1.00 0.00 H new ATOM 481 N SER X 35 52.957 2.872 -5.633 1.00 0.00 N ATOM 482 CA SER X 35 53.784 3.929 -5.082 1.00 0.00 C ATOM 483 C SER X 35 54.735 3.371 -4.029 1.00 0.00 C ATOM 484 O SER X 35 55.772 3.969 -3.737 1.00 0.00 O ATOM 485 CB SER X 35 52.884 4.993 -4.459 1.00 0.00 C ATOM 486 OG SER X 35 52.383 4.520 -3.216 1.00 0.00 O ATOM 0 H SER X 35 51.961 2.961 -5.430 1.00 0.00 H new ATOM 0 HA SER X 35 54.379 4.371 -5.881 1.00 0.00 H new ATOM 0 HB2 SER X 35 53.444 5.916 -4.310 1.00 0.00 H new ATOM 0 HB3 SER X 35 52.058 5.226 -5.131 1.00 0.00 H new ATOM 0 HG SER X 35 51.806 5.203 -2.814 1.00 0.00 H new ATOM 492 N SER X 36 54.378 2.222 -3.461 1.00 0.00 N ATOM 493 CA SER X 36 55.210 1.594 -2.443 1.00 0.00 C ATOM 494 C SER X 36 54.919 0.099 -2.361 1.00 0.00 C ATOM 495 O SER X 36 53.878 -0.367 -2.825 1.00 0.00 O ATOM 496 CB SER X 36 54.952 2.243 -1.084 1.00 0.00 C ATOM 497 OG SER X 36 53.616 1.972 -0.680 1.00 0.00 O ATOM 0 H SER X 36 53.524 1.711 -3.687 1.00 0.00 H new ATOM 0 HA SER X 36 56.256 1.734 -2.718 1.00 0.00 H new ATOM 0 HB2 SER X 36 55.653 1.856 -0.344 1.00 0.00 H new ATOM 0 HB3 SER X 36 55.114 3.319 -1.145 1.00 0.00 H new ATOM 0 HG SER X 36 53.448 2.386 0.192 1.00 0.00 H new ATOM 503 N ARG X 37 55.843 -0.646 -1.767 1.00 0.00 N ATOM 504 CA ARG X 37 55.674 -2.090 -1.629 1.00 0.00 C ATOM 505 C ARG X 37 54.459 -2.408 -0.764 1.00 0.00 C ATOM 506 O ARG X 37 53.706 -3.340 -1.052 1.00 0.00 O ATOM 507 CB ARG X 37 56.923 -2.706 -0.998 1.00 0.00 C ATOM 508 CG ARG X 37 58.084 -2.642 -1.990 1.00 0.00 C ATOM 509 CD ARG X 37 59.332 -3.250 -1.351 1.00 0.00 C ATOM 510 NE ARG X 37 59.102 -4.661 -1.057 1.00 0.00 N ATOM 511 CZ ARG X 37 59.183 -5.596 -2.006 1.00 0.00 C ATOM 512 NH1 ARG X 37 59.464 -5.276 -3.247 1.00 0.00 N ATOM 513 NH2 ARG X 37 58.973 -6.848 -1.700 1.00 0.00 N ATOM 0 H ARG X 37 56.711 -0.280 -1.376 1.00 0.00 H new ATOM 0 HA ARG X 37 55.522 -2.513 -2.622 1.00 0.00 H new ATOM 0 HB2 ARG X 37 57.182 -2.171 -0.084 1.00 0.00 H new ATOM 0 HB3 ARG X 37 56.728 -3.741 -0.717 1.00 0.00 H new ATOM 0 HG2 ARG X 37 57.828 -3.183 -2.901 1.00 0.00 H new ATOM 0 HG3 ARG X 37 58.276 -1.608 -2.276 1.00 0.00 H new ATOM 0 HD2 ARG X 37 60.184 -3.144 -2.023 1.00 0.00 H new ATOM 0 HD3 ARG X 37 59.580 -2.714 -0.435 1.00 0.00 H new ATOM 0 HE ARG X 37 58.874 -4.939 -0.103 1.00 0.00 H new ATOM 0 HH11 ARG X 37 59.624 -4.301 -3.498 1.00 0.00 H new ATOM 0 HH12 ARG X 37 59.522 -6.003 -3.960 1.00 0.00 H new ATOM 0 HH21 ARG X 37 58.748 -7.107 -0.739 1.00 0.00 H new ATOM 0 HH22 ARG X 37 59.034 -7.566 -2.421 1.00 0.00 H new ATOM 527 N ARG X 38 54.274 -1.630 0.296 1.00 0.00 N ATOM 528 CA ARG X 38 53.150 -1.838 1.199 1.00 0.00 C ATOM 529 C ARG X 38 51.836 -1.513 0.500 1.00 0.00 C ATOM 530 O ARG X 38 51.783 -0.641 -0.367 1.00 0.00 O ATOM 531 CB ARG X 38 53.303 -0.955 2.436 1.00 0.00 C ATOM 532 CG ARG X 38 54.530 -1.403 3.229 1.00 0.00 C ATOM 533 CD ARG X 38 54.812 -0.393 4.338 1.00 0.00 C ATOM 534 NE ARG X 38 55.214 0.890 3.769 1.00 0.00 N ATOM 535 CZ ARG X 38 55.414 1.961 4.541 1.00 0.00 C ATOM 536 NH1 ARG X 38 55.251 1.893 5.840 1.00 0.00 N ATOM 537 NH2 ARG X 38 55.776 3.090 3.996 1.00 0.00 N ATOM 0 H ARG X 38 54.885 -0.853 0.550 1.00 0.00 H new ATOM 0 HA ARG X 38 53.140 -2.885 1.500 1.00 0.00 H new ATOM 0 HB2 ARG X 38 53.408 0.089 2.141 1.00 0.00 H new ATOM 0 HB3 ARG X 38 52.410 -1.022 3.057 1.00 0.00 H new ATOM 0 HG2 ARG X 38 54.360 -2.391 3.656 1.00 0.00 H new ATOM 0 HG3 ARG X 38 55.393 -1.486 2.569 1.00 0.00 H new ATOM 0 HD2 ARG X 38 53.922 -0.262 4.954 1.00 0.00 H new ATOM 0 HD3 ARG X 38 55.599 -0.771 4.991 1.00 0.00 H new ATOM 0 HE ARG X 38 55.345 0.970 2.761 1.00 0.00 H new ATOM 0 HH11 ARG X 38 54.968 1.014 6.273 1.00 0.00 H new ATOM 0 HH12 ARG X 38 55.407 2.719 6.418 1.00 0.00 H new ATOM 0 HH21 ARG X 38 55.905 3.151 2.986 1.00 0.00 H new ATOM 0 HH22 ARG X 38 55.930 3.912 4.580 1.00 0.00 H new ATOM 551 N ALA X 39 50.779 -2.224 0.882 1.00 0.00 N ATOM 552 CA ALA X 39 49.470 -2.008 0.279 1.00 0.00 C ATOM 553 C ALA X 39 48.415 -1.751 1.356 1.00 0.00 C ATOM 554 O ALA X 39 48.613 -2.087 2.525 1.00 0.00 O ATOM 555 CB ALA X 39 49.069 -3.230 -0.559 1.00 0.00 C ATOM 0 H ALA X 39 50.803 -2.948 1.600 1.00 0.00 H new ATOM 0 HA ALA X 39 49.530 -1.132 -0.367 1.00 0.00 H new ATOM 0 HB1 ALA X 39 48.089 -3.059 -1.006 1.00 0.00 H new ATOM 0 HB2 ALA X 39 49.805 -3.388 -1.348 1.00 0.00 H new ATOM 0 HB3 ALA X 39 49.028 -4.112 0.080 1.00 0.00 H new ATOM 561 N PRO X 40 47.307 -1.165 0.983 1.00 0.00 N ATOM 562 CA PRO X 40 46.198 -0.859 1.933 1.00 0.00 C ATOM 563 C PRO X 40 45.412 -2.110 2.319 1.00 0.00 C ATOM 564 O PRO X 40 44.223 -2.229 2.020 1.00 0.00 O ATOM 565 CB PRO X 40 45.326 0.128 1.154 1.00 0.00 C ATOM 566 CG PRO X 40 45.572 -0.175 -0.286 1.00 0.00 C ATOM 567 CD PRO X 40 46.990 -0.728 -0.387 1.00 0.00 C ATOM 0 HA PRO X 40 46.560 -0.457 2.879 1.00 0.00 H new ATOM 0 HB2 PRO X 40 44.273 0.006 1.407 1.00 0.00 H new ATOM 0 HB3 PRO X 40 45.593 1.158 1.390 1.00 0.00 H new ATOM 0 HG2 PRO X 40 44.848 -0.900 -0.657 1.00 0.00 H new ATOM 0 HG3 PRO X 40 45.464 0.723 -0.894 1.00 0.00 H new ATOM 0 HD2 PRO X 40 47.044 -1.558 -1.092 1.00 0.00 H new ATOM 0 HD3 PRO X 40 47.690 0.032 -0.734 1.00 0.00 H new ATOM 575 N GLN X 41 46.083 -3.038 2.992 1.00 0.00 N ATOM 576 CA GLN X 41 45.440 -4.272 3.423 1.00 0.00 C ATOM 577 C GLN X 41 45.038 -4.188 4.894 1.00 0.00 C ATOM 578 O GLN X 41 44.674 -5.193 5.508 1.00 0.00 O ATOM 579 CB GLN X 41 46.389 -5.453 3.217 1.00 0.00 C ATOM 580 CG GLN X 41 46.599 -5.687 1.720 1.00 0.00 C ATOM 581 CD GLN X 41 47.713 -6.704 1.503 1.00 0.00 C ATOM 582 OE1 GLN X 41 48.633 -6.799 2.318 1.00 0.00 O ATOM 583 NE2 GLN X 41 47.688 -7.474 0.452 1.00 0.00 N ATOM 0 H GLN X 41 47.067 -2.960 3.250 1.00 0.00 H new ATOM 0 HA GLN X 41 44.541 -4.418 2.824 1.00 0.00 H new ATOM 0 HB2 GLN X 41 47.345 -5.254 3.702 1.00 0.00 H new ATOM 0 HB3 GLN X 41 45.977 -6.349 3.681 1.00 0.00 H new ATOM 0 HG2 GLN X 41 45.675 -6.045 1.266 1.00 0.00 H new ATOM 0 HG3 GLN X 41 46.852 -4.748 1.229 1.00 0.00 H new ATOM 0 HE21 GLN X 41 46.926 -7.394 -0.221 1.00 0.00 H new ATOM 0 HE22 GLN X 41 48.431 -8.157 0.302 1.00 0.00 H new ATOM 592 N THR X 42 45.115 -2.987 5.459 1.00 0.00 N ATOM 593 CA THR X 42 44.768 -2.781 6.860 1.00 0.00 C ATOM 594 C THR X 42 43.539 -1.885 6.982 1.00 0.00 C ATOM 595 O THR X 42 43.448 -0.845 6.329 1.00 0.00 O ATOM 596 CB THR X 42 45.944 -2.138 7.595 1.00 0.00 C ATOM 597 OG1 THR X 42 47.081 -2.985 7.501 1.00 0.00 O ATOM 598 CG2 THR X 42 45.579 -1.933 9.062 1.00 0.00 C ATOM 0 H THR X 42 45.414 -2.144 4.969 1.00 0.00 H new ATOM 0 HA THR X 42 44.542 -3.749 7.307 1.00 0.00 H new ATOM 0 HB THR X 42 46.172 -1.173 7.142 1.00 0.00 H new ATOM 0 HG1 THR X 42 47.836 -2.573 7.971 1.00 0.00 H new ATOM 0 HG21 THR X 42 46.418 -1.475 9.585 1.00 0.00 H new ATOM 0 HG22 THR X 42 44.708 -1.282 9.133 1.00 0.00 H new ATOM 0 HG23 THR X 42 45.350 -2.896 9.518 1.00 0.00 H new ATOM 606 N GLY X 43 42.593 -2.301 7.816 1.00 0.00 N ATOM 607 CA GLY X 43 41.371 -1.538 8.017 1.00 0.00 C ATOM 608 C GLY X 43 40.780 -1.814 9.396 1.00 0.00 C ATOM 609 O GLY X 43 41.322 -2.602 10.172 1.00 0.00 O ATOM 0 H GLY X 43 42.650 -3.161 8.362 1.00 0.00 H new ATOM 0 HA2 GLY X 43 41.580 -0.473 7.913 1.00 0.00 H new ATOM 0 HA3 GLY X 43 40.645 -1.797 7.247 1.00 0.00 H new ATOM 613 N ILE X 44 39.670 -1.152 9.693 1.00 0.00 N ATOM 614 CA ILE X 44 39.011 -1.320 10.985 1.00 0.00 C ATOM 615 C ILE X 44 38.508 -2.752 11.140 1.00 0.00 C ATOM 616 O ILE X 44 38.449 -3.280 12.251 1.00 0.00 O ATOM 617 CB ILE X 44 37.837 -0.339 11.105 1.00 0.00 C ATOM 618 CG1 ILE X 44 36.758 -0.687 10.071 1.00 0.00 C ATOM 619 CG2 ILE X 44 38.339 1.084 10.849 1.00 0.00 C ATOM 620 CD1 ILE X 44 35.561 0.247 10.245 1.00 0.00 C ATOM 0 H ILE X 44 39.208 -0.497 9.062 1.00 0.00 H new ATOM 0 HA ILE X 44 39.732 -1.113 11.776 1.00 0.00 H new ATOM 0 HB ILE X 44 37.412 -0.408 12.106 1.00 0.00 H new ATOM 0 HG12 ILE X 44 37.162 -0.593 9.063 1.00 0.00 H new ATOM 0 HG13 ILE X 44 36.444 -1.724 10.193 1.00 0.00 H new ATOM 0 HG21 ILE X 44 37.508 1.784 10.933 1.00 0.00 H new ATOM 0 HG22 ILE X 44 39.103 1.338 11.584 1.00 0.00 H new ATOM 0 HG23 ILE X 44 38.764 1.145 9.847 1.00 0.00 H new ATOM 0 HD11 ILE X 44 34.796 -0.002 9.510 1.00 0.00 H new ATOM 0 HD12 ILE X 44 35.152 0.131 11.248 1.00 0.00 H new ATOM 0 HD13 ILE X 44 35.881 1.279 10.101 1.00 0.00 H new ATOM 632 N VAL X 45 38.155 -3.369 10.016 1.00 0.00 N ATOM 633 CA VAL X 45 37.661 -4.743 10.028 1.00 0.00 C ATOM 634 C VAL X 45 38.726 -5.694 10.542 1.00 0.00 C ATOM 635 O VAL X 45 38.454 -6.540 11.390 1.00 0.00 O ATOM 636 CB VAL X 45 37.234 -5.163 8.622 1.00 0.00 C ATOM 637 CG1 VAL X 45 36.986 -6.676 8.595 1.00 0.00 C ATOM 638 CG2 VAL X 45 35.941 -4.429 8.250 1.00 0.00 C ATOM 0 H VAL X 45 38.201 -2.943 9.090 1.00 0.00 H new ATOM 0 HA VAL X 45 36.800 -4.788 10.695 1.00 0.00 H new ATOM 0 HB VAL X 45 38.019 -4.911 7.909 1.00 0.00 H new ATOM 0 HG11 VAL X 45 36.681 -6.977 7.593 1.00 0.00 H new ATOM 0 HG12 VAL X 45 37.902 -7.200 8.868 1.00 0.00 H new ATOM 0 HG13 VAL X 45 36.198 -6.928 9.305 1.00 0.00 H new ATOM 0 HG21 VAL X 45 35.631 -4.724 7.248 1.00 0.00 H new ATOM 0 HG22 VAL X 45 35.158 -4.687 8.963 1.00 0.00 H new ATOM 0 HG23 VAL X 45 36.114 -3.353 8.274 1.00 0.00 H new ATOM 648 N ASP X 46 39.934 -5.544 10.018 1.00 0.00 N ATOM 649 CA ASP X 46 41.042 -6.390 10.427 1.00 0.00 C ATOM 650 C ASP X 46 41.398 -6.150 11.886 1.00 0.00 C ATOM 651 O ASP X 46 41.738 -7.082 12.603 1.00 0.00 O ATOM 652 CB ASP X 46 42.267 -6.117 9.559 1.00 0.00 C ATOM 653 CG ASP X 46 42.038 -6.652 8.151 1.00 0.00 C ATOM 654 OD1 ASP X 46 41.096 -7.405 7.970 1.00 0.00 O ATOM 655 OD2 ASP X 46 42.810 -6.301 7.273 1.00 0.00 O ATOM 0 H ASP X 46 40.170 -4.847 9.312 1.00 0.00 H new ATOM 0 HA ASP X 46 40.732 -7.428 10.304 1.00 0.00 H new ATOM 0 HB2 ASP X 46 42.465 -5.046 9.522 1.00 0.00 H new ATOM 0 HB3 ASP X 46 43.146 -6.589 9.998 1.00 0.00 H new ATOM 660 N GLU X 47 41.344 -4.896 12.320 1.00 0.00 N ATOM 661 CA GLU X 47 41.697 -4.580 13.699 1.00 0.00 C ATOM 662 C GLU X 47 40.776 -5.300 14.681 1.00 0.00 C ATOM 663 O GLU X 47 41.244 -5.956 15.609 1.00 0.00 O ATOM 664 CB GLU X 47 41.579 -3.073 13.909 1.00 0.00 C ATOM 665 CG GLU X 47 41.949 -2.717 15.350 1.00 0.00 C ATOM 666 CD GLU X 47 41.939 -1.203 15.534 1.00 0.00 C ATOM 667 OE1 GLU X 47 41.728 -0.508 14.552 1.00 0.00 O ATOM 668 OE2 GLU X 47 42.139 -0.759 16.652 1.00 0.00 O ATOM 0 H GLU X 47 41.065 -4.097 11.751 1.00 0.00 H new ATOM 0 HA GLU X 47 42.719 -4.911 13.882 1.00 0.00 H new ATOM 0 HB2 GLU X 47 42.236 -2.548 13.215 1.00 0.00 H new ATOM 0 HB3 GLU X 47 40.562 -2.746 13.694 1.00 0.00 H new ATOM 0 HG2 GLU X 47 41.243 -3.180 16.040 1.00 0.00 H new ATOM 0 HG3 GLU X 47 42.936 -3.114 15.589 1.00 0.00 H new ATOM 675 N CYS X 48 39.470 -5.169 14.475 1.00 0.00 N ATOM 676 CA CYS X 48 38.501 -5.816 15.357 1.00 0.00 C ATOM 677 C CYS X 48 38.483 -7.326 15.136 1.00 0.00 C ATOM 678 O CYS X 48 38.385 -8.104 16.086 1.00 0.00 O ATOM 679 CB CYS X 48 37.106 -5.260 15.103 1.00 0.00 C ATOM 680 SG CYS X 48 37.060 -3.536 15.638 1.00 0.00 S ATOM 0 H CYS X 48 39.060 -4.627 13.714 1.00 0.00 H new ATOM 0 HA CYS X 48 38.798 -5.612 16.386 1.00 0.00 H new ATOM 0 HB2 CYS X 48 36.858 -5.333 14.044 1.00 0.00 H new ATOM 0 HB3 CYS X 48 36.363 -5.844 15.646 1.00 0.00 H new ATOM 685 N CYS X 49 38.562 -7.726 13.869 1.00 0.00 N ATOM 686 CA CYS X 49 38.539 -9.142 13.519 1.00 0.00 C ATOM 687 C CYS X 49 39.708 -9.877 14.159 1.00 0.00 C ATOM 688 O CYS X 49 39.530 -10.938 14.754 1.00 0.00 O ATOM 689 CB CYS X 49 38.595 -9.310 11.996 1.00 0.00 C ATOM 690 SG CYS X 49 38.546 -11.073 11.578 1.00 0.00 S ATOM 0 H CYS X 49 38.642 -7.093 13.073 1.00 0.00 H new ATOM 0 HA CYS X 49 37.610 -9.570 13.896 1.00 0.00 H new ATOM 0 HB2 CYS X 49 37.756 -8.792 11.532 1.00 0.00 H new ATOM 0 HB3 CYS X 49 39.506 -8.858 11.603 1.00 0.00 H new ATOM 695 N PHE X 50 40.901 -9.312 14.030 1.00 0.00 N ATOM 696 CA PHE X 50 42.087 -9.933 14.601 1.00 0.00 C ATOM 697 C PHE X 50 42.258 -9.514 16.060 1.00 0.00 C ATOM 698 O PHE X 50 42.096 -10.321 16.972 1.00 0.00 O ATOM 699 CB PHE X 50 43.315 -9.518 13.788 1.00 0.00 C ATOM 700 CG PHE X 50 43.320 -10.262 12.476 1.00 0.00 C ATOM 701 CD1 PHE X 50 42.509 -9.816 11.425 1.00 0.00 C ATOM 702 CD2 PHE X 50 44.140 -11.383 12.302 1.00 0.00 C ATOM 703 CE1 PHE X 50 42.509 -10.490 10.198 1.00 0.00 C ATOM 704 CE2 PHE X 50 44.143 -12.060 11.075 1.00 0.00 C ATOM 705 CZ PHE X 50 43.329 -11.615 10.022 1.00 0.00 C ATOM 0 H PHE X 50 41.072 -8.434 13.540 1.00 0.00 H new ATOM 0 HA PHE X 50 41.976 -11.017 14.566 1.00 0.00 H new ATOM 0 HB2 PHE X 50 43.301 -8.443 13.609 1.00 0.00 H new ATOM 0 HB3 PHE X 50 44.225 -9.736 14.346 1.00 0.00 H new ATOM 0 HD1 PHE X 50 41.881 -8.948 11.562 1.00 0.00 H new ATOM 0 HD2 PHE X 50 44.768 -11.725 13.111 1.00 0.00 H new ATOM 0 HE1 PHE X 50 41.880 -10.145 9.390 1.00 0.00 H new ATOM 0 HE2 PHE X 50 44.773 -12.926 10.939 1.00 0.00 H new ATOM 0 HZ PHE X 50 43.334 -12.138 9.077 1.00 0.00 H new ATOM 715 N ARG X 51 42.584 -8.240 16.263 1.00 0.00 N ATOM 716 CA ARG X 51 42.779 -7.712 17.608 1.00 0.00 C ATOM 717 C ARG X 51 41.437 -7.393 18.259 1.00 0.00 C ATOM 718 O ARG X 51 40.425 -7.249 17.578 1.00 0.00 O ATOM 719 CB ARG X 51 43.637 -6.445 17.552 1.00 0.00 C ATOM 720 CG ARG X 51 45.027 -6.800 17.026 1.00 0.00 C ATOM 721 CD ARG X 51 45.834 -5.520 16.821 1.00 0.00 C ATOM 722 NE ARG X 51 46.094 -4.866 18.100 1.00 0.00 N ATOM 723 CZ ARG X 51 46.705 -3.681 18.163 1.00 0.00 C ATOM 724 NH1 ARG X 51 47.093 -3.067 17.070 1.00 0.00 N ATOM 725 NH2 ARG X 51 46.921 -3.126 19.323 1.00 0.00 N ATOM 0 H ARG X 51 42.718 -7.558 15.516 1.00 0.00 H new ATOM 0 HA ARG X 51 43.288 -8.469 18.205 1.00 0.00 H new ATOM 0 HB2 ARG X 51 43.169 -5.703 16.905 1.00 0.00 H new ATOM 0 HB3 ARG X 51 43.714 -6.000 18.544 1.00 0.00 H new ATOM 0 HG2 ARG X 51 45.538 -7.456 17.731 1.00 0.00 H new ATOM 0 HG3 ARG X 51 44.944 -7.345 16.086 1.00 0.00 H new ATOM 0 HD2 ARG X 51 46.777 -5.754 16.327 1.00 0.00 H new ATOM 0 HD3 ARG X 51 45.290 -4.842 16.164 1.00 0.00 H new ATOM 0 HE ARG X 51 45.803 -5.324 18.963 1.00 0.00 H new ATOM 0 HH11 ARG X 51 46.929 -3.495 16.159 1.00 0.00 H new ATOM 0 HH12 ARG X 51 47.559 -2.162 17.132 1.00 0.00 H new ATOM 0 HH21 ARG X 51 46.623 -3.597 20.177 1.00 0.00 H new ATOM 0 HH22 ARG X 51 47.388 -2.221 19.376 1.00 0.00 H new ATOM 739 N SER X 52 41.434 -7.286 19.581 1.00 0.00 N ATOM 740 CA SER X 52 40.204 -6.981 20.299 1.00 0.00 C ATOM 741 C SER X 52 40.023 -5.474 20.427 1.00 0.00 C ATOM 742 O SER X 52 40.631 -4.838 21.288 1.00 0.00 O ATOM 743 CB SER X 52 40.248 -7.613 21.689 1.00 0.00 C ATOM 744 OG SER X 52 39.075 -7.257 22.407 1.00 0.00 O ATOM 0 H SER X 52 42.257 -7.404 20.171 1.00 0.00 H new ATOM 0 HA SER X 52 39.362 -7.390 19.740 1.00 0.00 H new ATOM 0 HB2 SER X 52 40.321 -8.697 21.605 1.00 0.00 H new ATOM 0 HB3 SER X 52 41.134 -7.274 22.227 1.00 0.00 H new ATOM 0 HG SER X 52 39.101 -7.663 23.298 1.00 0.00 H new ATOM 750 N CYS X 53 39.182 -4.905 19.567 1.00 0.00 N ATOM 751 CA CYS X 53 38.930 -3.471 19.599 1.00 0.00 C ATOM 752 C CYS X 53 37.784 -3.151 20.553 1.00 0.00 C ATOM 753 O CYS X 53 36.749 -3.817 20.540 1.00 0.00 O ATOM 754 CB CYS X 53 38.592 -2.973 18.188 1.00 0.00 C ATOM 755 SG CYS X 53 37.005 -3.663 17.656 1.00 0.00 S ATOM 0 H CYS X 53 38.668 -5.412 18.846 1.00 0.00 H new ATOM 0 HA CYS X 53 39.828 -2.965 19.954 1.00 0.00 H new ATOM 0 HB2 CYS X 53 38.547 -1.884 18.178 1.00 0.00 H new ATOM 0 HB3 CYS X 53 39.378 -3.266 17.491 1.00 0.00 H new ATOM 760 N ASP X 54 37.978 -2.124 21.375 1.00 0.00 N ATOM 761 CA ASP X 54 36.955 -1.715 22.333 1.00 0.00 C ATOM 762 C ASP X 54 35.834 -0.946 21.637 1.00 0.00 C ATOM 763 O ASP X 54 36.025 -0.396 20.553 1.00 0.00 O ATOM 764 CB ASP X 54 37.575 -0.844 23.425 1.00 0.00 C ATOM 765 CG ASP X 54 38.434 -1.703 24.349 1.00 0.00 C ATOM 766 OD1 ASP X 54 38.338 -2.915 24.257 1.00 0.00 O ATOM 767 OD2 ASP X 54 39.169 -1.133 25.139 1.00 0.00 O ATOM 0 H ASP X 54 38.829 -1.562 21.398 1.00 0.00 H new ATOM 0 HA ASP X 54 36.533 -2.614 22.783 1.00 0.00 H new ATOM 0 HB2 ASP X 54 38.183 -0.059 22.975 1.00 0.00 H new ATOM 0 HB3 ASP X 54 36.790 -0.351 23.998 1.00 0.00 H new ATOM 772 N LEU X 55 34.666 -0.913 22.268 1.00 0.00 N ATOM 773 CA LEU X 55 33.525 -0.208 21.700 1.00 0.00 C ATOM 774 C LEU X 55 33.841 1.275 21.556 1.00 0.00 C ATOM 775 O LEU X 55 33.479 1.903 20.561 1.00 0.00 O ATOM 776 CB LEU X 55 32.302 -0.390 22.601 1.00 0.00 C ATOM 777 CG LEU X 55 31.822 -1.844 22.533 1.00 0.00 C ATOM 778 CD1 LEU X 55 30.772 -2.085 23.621 1.00 0.00 C ATOM 779 CD2 LEU X 55 31.203 -2.117 21.156 1.00 0.00 C ATOM 0 H LEU X 55 34.485 -1.362 23.166 1.00 0.00 H new ATOM 0 HA LEU X 55 33.312 -0.621 20.714 1.00 0.00 H new ATOM 0 HB2 LEU X 55 32.553 -0.128 23.629 1.00 0.00 H new ATOM 0 HB3 LEU X 55 31.503 0.282 22.286 1.00 0.00 H new ATOM 0 HG LEU X 55 32.668 -2.513 22.688 1.00 0.00 H new ATOM 0 HD11 LEU X 55 30.430 -3.119 23.574 1.00 0.00 H new ATOM 0 HD12 LEU X 55 31.211 -1.893 24.600 1.00 0.00 H new ATOM 0 HD13 LEU X 55 29.926 -1.415 23.465 1.00 0.00 H new ATOM 0 HD21 LEU X 55 30.862 -3.151 21.109 1.00 0.00 H new ATOM 0 HD22 LEU X 55 30.357 -1.448 20.999 1.00 0.00 H new ATOM 0 HD23 LEU X 55 31.950 -1.946 20.381 1.00 0.00 H new ATOM 791 N ARG X 56 34.525 1.833 22.549 1.00 0.00 N ATOM 792 CA ARG X 56 34.883 3.243 22.509 1.00 0.00 C ATOM 793 C ARG X 56 35.744 3.534 21.283 1.00 0.00 C ATOM 794 O ARG X 56 35.496 4.496 20.557 1.00 0.00 O ATOM 795 CB ARG X 56 35.646 3.621 23.780 1.00 0.00 C ATOM 796 CG ARG X 56 36.009 5.106 23.739 1.00 0.00 C ATOM 797 CD ARG X 56 36.689 5.500 25.051 1.00 0.00 C ATOM 798 NE ARG X 56 37.085 6.902 25.003 1.00 0.00 N ATOM 799 CZ ARG X 56 36.209 7.886 25.222 1.00 0.00 C ATOM 800 NH1 ARG X 56 34.951 7.624 25.482 1.00 0.00 N ATOM 801 NH2 ARG X 56 36.607 9.128 25.173 1.00 0.00 N ATOM 0 H ARG X 56 34.839 1.336 23.382 1.00 0.00 H new ATOM 0 HA ARG X 56 33.971 3.836 22.448 1.00 0.00 H new ATOM 0 HB2 ARG X 56 35.036 3.410 24.658 1.00 0.00 H new ATOM 0 HB3 ARG X 56 36.550 3.018 23.867 1.00 0.00 H new ATOM 0 HG2 ARG X 56 36.673 5.306 22.898 1.00 0.00 H new ATOM 0 HG3 ARG X 56 35.112 5.707 23.587 1.00 0.00 H new ATOM 0 HD2 ARG X 56 36.010 5.333 25.887 1.00 0.00 H new ATOM 0 HD3 ARG X 56 37.563 4.872 25.221 1.00 0.00 H new ATOM 0 HE ARG X 56 38.056 7.138 24.797 1.00 0.00 H new ATOM 0 HH11 ARG X 56 34.629 6.657 25.519 1.00 0.00 H new ATOM 0 HH12 ARG X 56 34.295 8.387 25.647 1.00 0.00 H new ATOM 0 HH21 ARG X 56 37.583 9.343 24.968 1.00 0.00 H new ATOM 0 HH22 ARG X 56 35.942 9.884 25.339 1.00 0.00 H new ATOM 815 N ARG X 57 36.753 2.694 21.039 1.00 0.00 N ATOM 816 CA ARG X 57 37.614 2.871 19.894 1.00 0.00 C ATOM 817 C ARG X 57 36.826 2.664 18.607 1.00 0.00 C ATOM 818 O ARG X 57 37.033 3.361 17.622 1.00 0.00 O ATOM 819 CB ARG X 57 38.762 1.874 19.971 1.00 0.00 C ATOM 820 CG ARG X 57 39.654 2.061 18.758 1.00 0.00 C ATOM 821 CD ARG X 57 40.873 1.159 18.897 1.00 0.00 C ATOM 822 NE ARG X 57 41.794 1.673 19.906 1.00 0.00 N ATOM 823 CZ ARG X 57 42.901 1.003 20.248 1.00 0.00 C ATOM 824 NH1 ARG X 57 43.193 -0.146 19.685 1.00 0.00 N ATOM 825 NH2 ARG X 57 43.703 1.500 21.148 1.00 0.00 N ATOM 0 H ARG X 57 36.984 1.891 21.624 1.00 0.00 H new ATOM 0 HA ARG X 57 38.013 3.885 19.895 1.00 0.00 H new ATOM 0 HB2 ARG X 57 39.333 2.026 20.887 1.00 0.00 H new ATOM 0 HB3 ARG X 57 38.376 0.855 20.002 1.00 0.00 H new ATOM 0 HG2 ARG X 57 39.107 1.818 17.847 1.00 0.00 H new ATOM 0 HG3 ARG X 57 39.964 3.103 18.675 1.00 0.00 H new ATOM 0 HD2 ARG X 57 40.555 0.152 19.169 1.00 0.00 H new ATOM 0 HD3 ARG X 57 41.385 1.083 17.938 1.00 0.00 H new ATOM 0 HE ARG X 57 41.589 2.563 20.361 1.00 0.00 H new ATOM 0 HH11 ARG X 57 42.573 -0.539 18.977 1.00 0.00 H new ATOM 0 HH12 ARG X 57 44.040 -0.646 19.955 1.00 0.00 H new ATOM 0 HH21 ARG X 57 43.485 2.395 21.587 1.00 0.00 H new ATOM 0 HH22 ARG X 57 44.548 0.994 21.413 1.00 0.00 H new ATOM 839 N LEU X 58 35.925 1.686 18.621 1.00 0.00 N ATOM 840 CA LEU X 58 35.120 1.385 17.442 1.00 0.00 C ATOM 841 C LEU X 58 34.357 2.624 16.983 1.00 0.00 C ATOM 842 O LEU X 58 34.120 2.814 15.791 1.00 0.00 O ATOM 843 CB LEU X 58 34.129 0.263 17.757 1.00 0.00 C ATOM 844 CG LEU X 58 33.690 -0.418 16.456 1.00 0.00 C ATOM 845 CD1 LEU X 58 34.830 -1.295 15.928 1.00 0.00 C ATOM 846 CD2 LEU X 58 32.458 -1.286 16.720 1.00 0.00 C ATOM 0 H LEU X 58 35.735 1.093 19.429 1.00 0.00 H new ATOM 0 HA LEU X 58 35.788 1.066 16.642 1.00 0.00 H new ATOM 0 HB2 LEU X 58 34.590 -0.466 18.423 1.00 0.00 H new ATOM 0 HB3 LEU X 58 33.261 0.667 18.278 1.00 0.00 H new ATOM 0 HG LEU X 58 33.444 0.343 15.715 1.00 0.00 H new ATOM 0 HD11 LEU X 58 34.518 -1.779 15.003 1.00 0.00 H new ATOM 0 HD12 LEU X 58 35.706 -0.676 15.736 1.00 0.00 H new ATOM 0 HD13 LEU X 58 35.078 -2.055 16.669 1.00 0.00 H new ATOM 0 HD21 LEU X 58 32.148 -1.769 15.793 1.00 0.00 H new ATOM 0 HD22 LEU X 58 32.701 -2.047 17.462 1.00 0.00 H new ATOM 0 HD23 LEU X 58 31.646 -0.662 17.093 1.00 0.00 H new ATOM 858 N ASP X 59 33.975 3.464 17.937 1.00 0.00 N ATOM 859 CA ASP X 59 33.240 4.688 17.626 1.00 0.00 C ATOM 860 C ASP X 59 34.092 5.636 16.779 1.00 0.00 C ATOM 861 O ASP X 59 33.568 6.509 16.095 1.00 0.00 O ATOM 862 CB ASP X 59 32.827 5.393 18.918 1.00 0.00 C ATOM 863 CG ASP X 59 31.754 4.584 19.635 1.00 0.00 C ATOM 864 OD1 ASP X 59 30.672 4.455 19.086 1.00 0.00 O ATOM 865 OD2 ASP X 59 32.031 4.098 20.720 1.00 0.00 O ATOM 0 H ASP X 59 34.160 3.323 18.930 1.00 0.00 H new ATOM 0 HA ASP X 59 32.351 4.414 17.058 1.00 0.00 H new ATOM 0 HB2 ASP X 59 33.694 5.518 19.567 1.00 0.00 H new ATOM 0 HB3 ASP X 59 32.451 6.391 18.693 1.00 0.00 H new ATOM 870 N MET X 60 35.406 5.464 16.836 1.00 0.00 N ATOM 871 CA MET X 60 36.314 6.312 16.072 1.00 0.00 C ATOM 872 C MET X 60 36.094 6.122 14.574 1.00 0.00 C ATOM 873 O MET X 60 36.215 7.065 13.791 1.00 0.00 O ATOM 874 CB MET X 60 37.763 5.980 16.414 1.00 0.00 C ATOM 875 CG MET X 60 38.046 6.386 17.861 1.00 0.00 C ATOM 876 SD MET X 60 39.718 5.866 18.319 1.00 0.00 S ATOM 877 CE MET X 60 40.612 7.059 17.294 1.00 0.00 C ATOM 0 H MET X 60 35.866 4.749 17.400 1.00 0.00 H new ATOM 0 HA MET X 60 36.108 7.350 16.335 1.00 0.00 H new ATOM 0 HB2 MET X 60 37.945 4.914 16.281 1.00 0.00 H new ATOM 0 HB3 MET X 60 38.438 6.505 15.738 1.00 0.00 H new ATOM 0 HG2 MET X 60 37.946 7.466 17.973 1.00 0.00 H new ATOM 0 HG3 MET X 60 37.316 5.928 18.528 1.00 0.00 H new ATOM 0 HE1 MET X 60 41.606 7.223 17.710 1.00 0.00 H new ATOM 0 HE2 MET X 60 40.703 6.671 16.279 1.00 0.00 H new ATOM 0 HE3 MET X 60 40.067 8.003 17.274 1.00 0.00 H new ATOM 887 N TYR X 61 35.780 4.893 14.180 1.00 0.00 N ATOM 888 CA TYR X 61 35.550 4.586 12.771 1.00 0.00 C ATOM 889 C TYR X 61 34.191 5.116 12.315 1.00 0.00 C ATOM 890 O TYR X 61 33.929 5.215 11.114 1.00 0.00 O ATOM 891 CB TYR X 61 35.610 3.074 12.547 1.00 0.00 C ATOM 892 CG TYR X 61 36.752 2.493 13.350 1.00 0.00 C ATOM 893 CD1 TYR X 61 36.566 1.322 14.095 1.00 0.00 C ATOM 894 CD2 TYR X 61 37.999 3.133 13.355 1.00 0.00 C ATOM 895 CE1 TYR X 61 37.629 0.789 14.833 1.00 0.00 C ATOM 896 CE2 TYR X 61 39.058 2.597 14.095 1.00 0.00 C ATOM 897 CZ TYR X 61 38.872 1.427 14.837 1.00 0.00 C ATOM 898 OH TYR X 61 39.914 0.898 15.571 1.00 0.00 O ATOM 0 H TYR X 61 35.679 4.097 14.810 1.00 0.00 H new ATOM 0 HA TYR X 61 36.330 5.072 12.185 1.00 0.00 H new ATOM 0 HB2 TYR X 61 34.669 2.613 12.846 1.00 0.00 H new ATOM 0 HB3 TYR X 61 35.748 2.857 11.488 1.00 0.00 H new ATOM 0 HD1 TYR X 61 35.604 0.831 14.100 1.00 0.00 H new ATOM 0 HD2 TYR X 61 38.142 4.040 12.787 1.00 0.00 H new ATOM 0 HE1 TYR X 61 37.488 -0.118 15.401 1.00 0.00 H new ATOM 0 HE2 TYR X 61 40.020 3.087 14.093 1.00 0.00 H new ATOM 0 HH TYR X 61 40.677 0.727 14.980 1.00 0.00 H new ATOM 908 N CYS X 62 33.329 5.467 13.268 1.00 0.00 N ATOM 909 CA CYS X 62 32.012 5.991 12.931 1.00 0.00 C ATOM 910 C CYS X 62 32.144 7.388 12.330 1.00 0.00 C ATOM 911 O CYS X 62 33.096 8.113 12.625 1.00 0.00 O ATOM 912 CB CYS X 62 31.138 6.054 14.184 1.00 0.00 C ATOM 913 SG CYS X 62 30.893 4.386 14.834 1.00 0.00 S ATOM 0 H CYS X 62 33.518 5.398 14.268 1.00 0.00 H new ATOM 0 HA CYS X 62 31.547 5.328 12.201 1.00 0.00 H new ATOM 0 HB2 CYS X 62 31.610 6.684 14.938 1.00 0.00 H new ATOM 0 HB3 CYS X 62 30.176 6.508 13.947 1.00 0.00 H new ATOM 918 N ALA X 63 31.189 7.759 11.483 1.00 0.00 N ATOM 919 CA ALA X 63 31.209 9.059 10.840 1.00 0.00 C ATOM 920 C ALA X 63 30.957 10.169 11.864 1.00 0.00 C ATOM 921 O ALA X 63 30.384 9.930 12.925 1.00 0.00 O ATOM 922 CB ALA X 63 30.134 9.114 9.748 1.00 0.00 C ATOM 0 H ALA X 63 30.393 7.174 11.229 1.00 0.00 H new ATOM 0 HA ALA X 63 32.192 9.210 10.393 1.00 0.00 H new ATOM 0 HB1 ALA X 63 30.153 10.092 9.268 1.00 0.00 H new ATOM 0 HB2 ALA X 63 30.330 8.341 9.005 1.00 0.00 H new ATOM 0 HB3 ALA X 63 29.153 8.948 10.194 1.00 0.00 H new ATOM 928 N PRO X 64 31.380 11.365 11.560 1.00 0.00 N ATOM 929 CA PRO X 64 31.208 12.538 12.461 1.00 0.00 C ATOM 930 C PRO X 64 29.767 13.036 12.486 1.00 0.00 C ATOM 931 O PRO X 64 29.014 12.835 11.533 1.00 0.00 O ATOM 932 CB PRO X 64 32.152 13.584 11.867 1.00 0.00 C ATOM 933 CG PRO X 64 32.254 13.239 10.420 1.00 0.00 C ATOM 934 CD PRO X 64 32.065 11.728 10.313 1.00 0.00 C ATOM 0 HA PRO X 64 31.434 12.301 13.501 1.00 0.00 H new ATOM 0 HB2 PRO X 64 31.761 14.592 12.005 1.00 0.00 H new ATOM 0 HB3 PRO X 64 33.129 13.553 12.349 1.00 0.00 H new ATOM 0 HG2 PRO X 64 31.494 13.766 9.842 1.00 0.00 H new ATOM 0 HG3 PRO X 64 33.223 13.537 10.019 1.00 0.00 H new ATOM 0 HD2 PRO X 64 31.471 11.461 9.439 1.00 0.00 H new ATOM 0 HD3 PRO X 64 33.021 11.212 10.218 1.00 0.00 H new ATOM 942 N LEU X 65 29.392 13.690 13.579 1.00 0.00 N ATOM 943 CA LEU X 65 28.041 14.217 13.715 1.00 0.00 C ATOM 944 C LEU X 65 27.830 15.393 12.770 1.00 0.00 C ATOM 945 O LEU X 65 28.745 16.182 12.536 1.00 0.00 O ATOM 946 CB LEU X 65 27.799 14.669 15.155 1.00 0.00 C ATOM 947 CG LEU X 65 27.772 13.449 16.079 1.00 0.00 C ATOM 948 CD1 LEU X 65 27.765 13.913 17.535 1.00 0.00 C ATOM 949 CD2 LEU X 65 26.507 12.628 15.811 1.00 0.00 C ATOM 0 H LEU X 65 30.000 13.867 14.379 1.00 0.00 H new ATOM 0 HA LEU X 65 27.335 13.427 13.459 1.00 0.00 H new ATOM 0 HB2 LEU X 65 28.584 15.357 15.468 1.00 0.00 H new ATOM 0 HB3 LEU X 65 26.855 15.210 15.223 1.00 0.00 H new ATOM 0 HG LEU X 65 28.654 12.837 15.890 1.00 0.00 H new ATOM 0 HD11 LEU X 65 27.746 13.045 18.194 1.00 0.00 H new ATOM 0 HD12 LEU X 65 28.662 14.500 17.734 1.00 0.00 H new ATOM 0 HD13 LEU X 65 26.882 14.526 17.717 1.00 0.00 H new ATOM 0 HD21 LEU X 65 26.490 11.760 16.470 1.00 0.00 H new ATOM 0 HD22 LEU X 65 25.627 13.243 15.999 1.00 0.00 H new ATOM 0 HD23 LEU X 65 26.502 12.296 14.773 1.00 0.00 H new ATOM 961 N LYS X 66 26.617 15.501 12.232 1.00 0.00 N ATOM 962 CA LYS X 66 26.289 16.585 11.311 1.00 0.00 C ATOM 963 C LYS X 66 27.371 16.733 10.243 1.00 0.00 C ATOM 964 O LYS X 66 28.033 17.767 10.154 1.00 0.00 O ATOM 965 CB LYS X 66 26.145 17.888 12.087 1.00 0.00 C ATOM 966 CG LYS X 66 24.993 17.758 13.087 1.00 0.00 C ATOM 967 CD LYS X 66 25.310 18.583 14.331 1.00 0.00 C ATOM 968 CE LYS X 66 25.345 20.070 13.974 1.00 0.00 C ATOM 969 NZ LYS X 66 25.599 20.870 15.206 1.00 0.00 N ATOM 0 H LYS X 66 25.850 14.855 12.417 1.00 0.00 H new ATOM 0 HA LYS X 66 25.347 16.350 10.815 1.00 0.00 H new ATOM 0 HB2 LYS X 66 27.073 18.116 12.612 1.00 0.00 H new ATOM 0 HB3 LYS X 66 25.955 18.714 11.401 1.00 0.00 H new ATOM 0 HG2 LYS X 66 24.063 18.103 12.635 1.00 0.00 H new ATOM 0 HG3 LYS X 66 24.847 16.712 13.357 1.00 0.00 H new ATOM 0 HD2 LYS X 66 24.558 18.402 15.099 1.00 0.00 H new ATOM 0 HD3 LYS X 66 26.270 18.277 14.746 1.00 0.00 H new ATOM 0 HE2 LYS X 66 26.125 20.260 13.237 1.00 0.00 H new ATOM 0 HE3 LYS X 66 24.399 20.369 13.522 1.00 0.00 H new ATOM 0 HZ1 LYS X 66 25.623 21.881 14.964 1.00 0.00 H new ATOM 0 HZ2 LYS X 66 24.840 20.697 15.895 1.00 0.00 H new ATOM 0 HZ3 LYS X 66 26.512 20.591 15.619 1.00 0.00 H new ATOM 983 N PRO X 67 27.568 15.715 9.448 1.00 0.00 N ATOM 984 CA PRO X 67 28.600 15.720 8.371 1.00 0.00 C ATOM 985 C PRO X 67 28.247 16.680 7.239 1.00 0.00 C ATOM 986 O PRO X 67 27.072 16.960 6.993 1.00 0.00 O ATOM 987 CB PRO X 67 28.621 14.270 7.878 1.00 0.00 C ATOM 988 CG PRO X 67 27.278 13.718 8.223 1.00 0.00 C ATOM 989 CD PRO X 67 26.822 14.447 9.486 1.00 0.00 C ATOM 0 HA PRO X 67 29.569 16.062 8.735 1.00 0.00 H new ATOM 0 HB2 PRO X 67 28.802 14.222 6.804 1.00 0.00 H new ATOM 0 HB3 PRO X 67 29.416 13.702 8.361 1.00 0.00 H new ATOM 0 HG2 PRO X 67 26.572 13.876 7.407 1.00 0.00 H new ATOM 0 HG3 PRO X 67 27.332 12.643 8.394 1.00 0.00 H new ATOM 0 HD2 PRO X 67 25.745 14.616 9.484 1.00 0.00 H new ATOM 0 HD3 PRO X 67 27.053 13.874 10.384 1.00 0.00 H new ATOM 997 N ALA X 68 29.269 17.186 6.557 1.00 0.00 N ATOM 998 CA ALA X 68 29.053 18.117 5.455 1.00 0.00 C ATOM 999 C ALA X 68 28.233 17.461 4.350 1.00 0.00 C ATOM 1000 O ALA X 68 27.360 18.090 3.755 1.00 0.00 O ATOM 1001 CB ALA X 68 30.399 18.582 4.894 1.00 0.00 C ATOM 0 H ALA X 68 30.248 16.970 6.746 1.00 0.00 H new ATOM 0 HA ALA X 68 28.502 18.978 5.833 1.00 0.00 H new ATOM 0 HB1 ALA X 68 30.230 19.277 4.071 1.00 0.00 H new ATOM 0 HB2 ALA X 68 30.968 19.080 5.679 1.00 0.00 H new ATOM 0 HB3 ALA X 68 30.959 17.720 4.531 1.00 0.00 H new ATOM 1007 N LYS X 69 28.523 16.194 4.086 1.00 0.00 N ATOM 1008 CA LYS X 69 27.807 15.456 3.051 1.00 0.00 C ATOM 1009 C LYS X 69 27.878 16.199 1.719 1.00 0.00 C ATOM 1010 O LYS X 69 26.883 16.305 1.004 1.00 0.00 O ATOM 1011 CB LYS X 69 26.343 15.277 3.456 1.00 0.00 C ATOM 1012 CG LYS X 69 26.270 14.516 4.781 1.00 0.00 C ATOM 1013 CD LYS X 69 24.811 14.185 5.105 1.00 0.00 C ATOM 1014 CE LYS X 69 24.045 15.473 5.404 1.00 0.00 C ATOM 1015 NZ LYS X 69 22.649 15.139 5.804 1.00 0.00 N ATOM 0 H LYS X 69 29.243 15.658 4.570 1.00 0.00 H new ATOM 0 HA LYS X 69 28.276 14.479 2.937 1.00 0.00 H new ATOM 0 HB2 LYS X 69 25.861 16.249 3.556 1.00 0.00 H new ATOM 0 HB3 LYS X 69 25.804 14.732 2.681 1.00 0.00 H new ATOM 0 HG2 LYS X 69 26.856 13.599 4.718 1.00 0.00 H new ATOM 0 HG3 LYS X 69 26.703 15.116 5.581 1.00 0.00 H new ATOM 0 HD2 LYS X 69 24.351 13.664 4.265 1.00 0.00 H new ATOM 0 HD3 LYS X 69 24.762 13.514 5.963 1.00 0.00 H new ATOM 0 HE2 LYS X 69 24.541 16.027 6.201 1.00 0.00 H new ATOM 0 HE3 LYS X 69 24.039 16.117 4.525 1.00 0.00 H new ATOM 0 HZ1 LYS X 69 22.127 16.015 6.008 1.00 0.00 H new ATOM 0 HZ2 LYS X 69 22.179 14.628 5.030 1.00 0.00 H new ATOM 0 HZ3 LYS X 69 22.665 14.540 6.654 1.00 0.00 H new ATOM 1029 N SER X 70 29.059 16.714 1.397 1.00 0.00 N ATOM 1030 CA SER X 70 29.245 17.450 0.150 1.00 0.00 C ATOM 1031 C SER X 70 29.185 16.501 -1.043 1.00 0.00 C ATOM 1032 O SER X 70 29.360 15.292 -0.896 1.00 0.00 O ATOM 1033 CB SER X 70 30.593 18.168 0.164 1.00 0.00 C ATOM 1034 OG SER X 70 31.639 17.209 0.074 1.00 0.00 O ATOM 0 H SER X 70 29.896 16.637 1.975 1.00 0.00 H new ATOM 0 HA SER X 70 28.444 18.184 0.059 1.00 0.00 H new ATOM 0 HB2 SER X 70 30.654 18.868 -0.669 1.00 0.00 H new ATOM 0 HB3 SER X 70 30.697 18.752 1.079 1.00 0.00 H new ATOM 0 HG SER X 70 32.505 17.668 0.081 1.00 0.00 H new ATOM 1040 N ALA X 71 28.937 17.058 -2.224 1.00 0.00 N ATOM 1041 CA ALA X 71 28.856 16.251 -3.436 1.00 0.00 C ATOM 1042 C ALA X 71 27.837 15.129 -3.267 1.00 0.00 C ATOM 1043 CB ALA X 71 30.227 15.654 -3.759 1.00 0.00 C ATOM 0 H ALA X 71 28.790 18.057 -2.367 1.00 0.00 H new ATOM 0 HA ALA X 71 28.538 16.894 -4.257 1.00 0.00 H new ATOM 0 HB1 ALA X 71 30.158 15.053 -4.666 1.00 0.00 H new ATOM 0 HB2 ALA X 71 30.947 16.458 -3.911 1.00 0.00 H new ATOM 0 HB3 ALA X 71 30.554 15.025 -2.931 1.00 0.00 H new TER 1049 ALA X 71