USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=15 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+ -110:sc= 0.109 (180deg=0) USER MOD Single : X 5 THR OG1 : rot 180:sc= 0 USER MOD Single : X 16 GLN : amide:sc= -0.0361 K(o=-0.036,f=-1.4!) USER MOD Single : X 25 TYR OH : rot 180:sc= -0.803 USER MOD Single : X 27 ASN : amide:sc= -0.1 K(o=-0.1,f=-1.4!) USER MOD Single : X 28 LYS NZ :NH3+ -179:sc= -0.55 (180deg=-0.559) 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 180:sc= 0 USER MOD Single : X 35 SER OG : rot 140:sc= -0.734 USER MOD Single : X 36 SER OG : rot 180:sc= 0 USER MOD Single : X 41 GLN : amide:sc=-0.00805 K(o=-0.008,f=-1.4!) 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 131:sc= -0.089 (180deg=-0.889) USER MOD Single : X 61 TYR OH : rot 180:sc= 0 USER MOD Single : X 66 LYS NZ :NH3+ 165:sc= -0.0369 (180deg=-0.335) USER MOD Single : X 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 70 SER OG : rot 5:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 32.708 -21.378 13.156 1.00 0.00 N ATOM 2 CA GLY X 1 32.638 -19.931 13.510 1.00 0.00 C ATOM 3 C GLY X 1 33.940 -19.507 14.181 1.00 0.00 C ATOM 4 O GLY X 1 34.764 -20.347 14.543 1.00 0.00 O ATOM 0 H1 GLY X 1 32.768 -21.480 12.123 1.00 0.00 H new ATOM 0 H2 GLY X 1 33.550 -21.803 13.595 1.00 0.00 H new ATOM 0 H3 GLY X 1 31.855 -21.862 13.503 1.00 0.00 H new ATOM 0 HA2 GLY X 1 32.468 -19.334 12.614 1.00 0.00 H new ATOM 0 HA3 GLY X 1 31.796 -19.750 14.178 1.00 0.00 H new ATOM 10 N GLY X 2 34.119 -18.201 14.343 1.00 0.00 N ATOM 11 CA GLY X 2 35.325 -17.676 14.974 1.00 0.00 C ATOM 12 C GLY X 2 35.257 -17.835 16.488 1.00 0.00 C ATOM 13 O GLY X 2 34.227 -18.229 17.037 1.00 0.00 O ATOM 0 H GLY X 2 33.450 -17.490 14.049 1.00 0.00 H new ATOM 0 HA2 GLY X 2 36.200 -18.199 14.588 1.00 0.00 H new ATOM 0 HA3 GLY X 2 35.445 -16.623 14.719 1.00 0.00 H new ATOM 17 N PRO X 3 36.332 -17.535 17.167 1.00 0.00 N ATOM 18 CA PRO X 3 36.405 -17.643 18.652 1.00 0.00 C ATOM 19 C PRO X 3 35.638 -16.522 19.349 1.00 0.00 C ATOM 20 O PRO X 3 36.227 -15.675 20.022 1.00 0.00 O ATOM 21 CB PRO X 3 37.905 -17.548 18.942 1.00 0.00 C ATOM 22 CG PRO X 3 38.477 -16.769 17.804 1.00 0.00 C ATOM 23 CD PRO X 3 37.598 -17.061 16.587 1.00 0.00 C ATOM 0 HA PRO X 3 35.952 -18.562 19.023 1.00 0.00 H new ATOM 0 HB2 PRO X 3 38.091 -17.049 19.893 1.00 0.00 H new ATOM 0 HB3 PRO X 3 38.357 -18.538 19.008 1.00 0.00 H new ATOM 0 HG2 PRO X 3 38.484 -15.703 18.030 1.00 0.00 H new ATOM 0 HG3 PRO X 3 39.510 -17.062 17.615 1.00 0.00 H new ATOM 0 HD2 PRO X 3 37.449 -16.169 15.979 1.00 0.00 H new ATOM 0 HD3 PRO X 3 38.048 -17.815 15.941 1.00 0.00 H new ATOM 31 N GLU X 4 34.319 -16.526 19.184 1.00 0.00 N ATOM 32 CA GLU X 4 33.480 -15.507 19.803 1.00 0.00 C ATOM 33 C GLU X 4 33.923 -14.112 19.369 1.00 0.00 C ATOM 34 O GLU X 4 34.070 -13.213 20.197 1.00 0.00 O ATOM 35 CB GLU X 4 33.561 -15.620 21.327 1.00 0.00 C ATOM 36 CG GLU X 4 32.989 -16.967 21.769 1.00 0.00 C ATOM 37 CD GLU X 4 33.072 -17.095 23.287 1.00 0.00 C ATOM 38 OE1 GLU X 4 33.685 -16.238 23.901 1.00 0.00 O ATOM 39 OE2 GLU X 4 32.517 -18.046 23.812 1.00 0.00 O ATOM 0 H GLU X 4 33.812 -17.217 18.632 1.00 0.00 H new ATOM 0 HA GLU X 4 32.451 -15.665 19.481 1.00 0.00 H new ATOM 0 HB2 GLU X 4 34.596 -15.527 21.655 1.00 0.00 H new ATOM 0 HB3 GLU X 4 33.005 -14.806 21.793 1.00 0.00 H new ATOM 0 HG2 GLU X 4 31.952 -17.056 21.444 1.00 0.00 H new ATOM 0 HG3 GLU X 4 33.542 -17.779 21.296 1.00 0.00 H new ATOM 46 N THR X 5 34.135 -13.941 18.068 1.00 0.00 N ATOM 47 CA THR X 5 34.562 -12.651 17.537 1.00 0.00 C ATOM 48 C THR X 5 33.618 -12.186 16.434 1.00 0.00 C ATOM 49 O THR X 5 32.889 -12.988 15.850 1.00 0.00 O ATOM 50 CB THR X 5 35.984 -12.761 16.982 1.00 0.00 C ATOM 51 OG1 THR X 5 36.005 -13.712 15.926 1.00 0.00 O ATOM 52 CG2 THR X 5 36.938 -13.205 18.093 1.00 0.00 C ATOM 0 H THR X 5 34.019 -14.673 17.367 1.00 0.00 H new ATOM 0 HA THR X 5 34.543 -11.921 18.346 1.00 0.00 H new ATOM 0 HB THR X 5 36.302 -11.790 16.604 1.00 0.00 H new ATOM 0 HG1 THR X 5 36.914 -13.783 15.568 1.00 0.00 H new ATOM 0 HG21 THR X 5 37.950 -13.282 17.695 1.00 0.00 H new ATOM 0 HG22 THR X 5 36.921 -12.474 18.901 1.00 0.00 H new ATOM 0 HG23 THR X 5 36.624 -14.176 18.476 1.00 0.00 H new ATOM 60 N LEU X 6 33.629 -10.886 16.159 1.00 0.00 N ATOM 61 CA LEU X 6 32.761 -10.329 15.127 1.00 0.00 C ATOM 62 C LEU X 6 33.555 -10.053 13.854 1.00 0.00 C ATOM 63 O LEU X 6 34.385 -9.144 13.814 1.00 0.00 O ATOM 64 CB LEU X 6 32.139 -9.026 15.632 1.00 0.00 C ATOM 65 CG LEU X 6 31.402 -9.285 16.948 1.00 0.00 C ATOM 66 CD1 LEU X 6 30.868 -7.964 17.504 1.00 0.00 C ATOM 67 CD2 LEU X 6 30.231 -10.239 16.700 1.00 0.00 C ATOM 0 H LEU X 6 34.223 -10.204 16.631 1.00 0.00 H new ATOM 0 HA LEU X 6 31.976 -11.050 14.902 1.00 0.00 H new ATOM 0 HB2 LEU X 6 32.914 -8.274 15.780 1.00 0.00 H new ATOM 0 HB3 LEU X 6 31.448 -8.629 14.888 1.00 0.00 H new ATOM 0 HG LEU X 6 32.091 -9.731 17.665 1.00 0.00 H new ATOM 0 HD11 LEU X 6 30.343 -8.149 18.441 1.00 0.00 H new ATOM 0 HD12 LEU X 6 31.699 -7.282 17.682 1.00 0.00 H new ATOM 0 HD13 LEU X 6 30.180 -7.518 16.785 1.00 0.00 H new ATOM 0 HD21 LEU X 6 29.707 -10.423 17.638 1.00 0.00 H new ATOM 0 HD22 LEU X 6 29.544 -9.792 15.982 1.00 0.00 H new ATOM 0 HD23 LEU X 6 30.608 -11.182 16.304 1.00 0.00 H new ATOM 79 N CYS X 7 33.292 -10.840 12.817 1.00 0.00 N ATOM 80 CA CYS X 7 33.982 -10.671 11.546 1.00 0.00 C ATOM 81 C CYS X 7 32.986 -10.682 10.388 1.00 0.00 C ATOM 82 O CYS X 7 31.878 -11.217 10.509 1.00 0.00 O ATOM 83 CB CYS X 7 35.007 -11.791 11.357 1.00 0.00 C ATOM 84 SG CYS X 7 36.210 -11.743 12.711 1.00 0.00 S ATOM 0 H CYS X 7 32.609 -11.598 12.832 1.00 0.00 H new ATOM 0 HA CYS X 7 34.495 -9.709 11.556 1.00 0.00 H new ATOM 0 HB2 CYS X 7 34.505 -12.758 11.336 1.00 0.00 H new ATOM 0 HB3 CYS X 7 35.516 -11.675 10.400 1.00 0.00 H new ATOM 89 N GLY X 8 33.384 -10.098 9.263 1.00 0.00 N ATOM 90 CA GLY X 8 32.520 -10.056 8.090 1.00 0.00 C ATOM 91 C GLY X 8 31.213 -9.338 8.399 1.00 0.00 C ATOM 92 O GLY X 8 31.212 -8.202 8.876 1.00 0.00 O ATOM 0 H GLY X 8 34.292 -9.651 9.139 1.00 0.00 H new ATOM 0 HA2 GLY X 8 33.034 -9.548 7.274 1.00 0.00 H new ATOM 0 HA3 GLY X 8 32.310 -11.071 7.752 1.00 0.00 H new ATOM 96 N ALA X 9 30.102 -10.006 8.119 1.00 0.00 N ATOM 97 CA ALA X 9 28.789 -9.427 8.367 1.00 0.00 C ATOM 98 C ALA X 9 28.614 -9.113 9.851 1.00 0.00 C ATOM 99 O ALA X 9 27.996 -8.112 10.212 1.00 0.00 O ATOM 100 CB ALA X 9 27.690 -10.394 7.913 1.00 0.00 C ATOM 0 H ALA X 9 30.083 -10.945 7.722 1.00 0.00 H new ATOM 0 HA ALA X 9 28.710 -8.501 7.798 1.00 0.00 H new ATOM 0 HB1 ALA X 9 26.713 -9.950 8.104 1.00 0.00 H new ATOM 0 HB2 ALA X 9 27.797 -10.591 6.846 1.00 0.00 H new ATOM 0 HB3 ALA X 9 27.777 -11.329 8.466 1.00 0.00 H new ATOM 106 N GLU X 10 29.148 -9.981 10.705 1.00 0.00 N ATOM 107 CA GLU X 10 29.025 -9.784 12.144 1.00 0.00 C ATOM 108 C GLU X 10 29.688 -8.476 12.564 1.00 0.00 C ATOM 109 O GLU X 10 29.145 -7.727 13.378 1.00 0.00 O ATOM 110 CB GLU X 10 29.687 -10.950 12.881 1.00 0.00 C ATOM 111 CG GLU X 10 28.846 -12.215 12.697 1.00 0.00 C ATOM 112 CD GLU X 10 29.584 -13.419 13.274 1.00 0.00 C ATOM 113 OE1 GLU X 10 30.763 -13.287 13.558 1.00 0.00 O ATOM 114 OE2 GLU X 10 28.958 -14.455 13.427 1.00 0.00 O ATOM 0 H GLU X 10 29.664 -10.817 10.430 1.00 0.00 H new ATOM 0 HA GLU X 10 27.966 -9.740 12.400 1.00 0.00 H new ATOM 0 HB2 GLU X 10 30.694 -11.111 12.497 1.00 0.00 H new ATOM 0 HB3 GLU X 10 29.784 -10.716 13.941 1.00 0.00 H new ATOM 0 HG2 GLU X 10 27.882 -12.097 13.193 1.00 0.00 H new ATOM 0 HG3 GLU X 10 28.642 -12.376 11.638 1.00 0.00 H new ATOM 121 N LEU X 11 30.855 -8.201 11.997 1.00 0.00 N ATOM 122 CA LEU X 11 31.574 -6.974 12.316 1.00 0.00 C ATOM 123 C LEU X 11 30.798 -5.755 11.831 1.00 0.00 C ATOM 124 O LEU X 11 30.714 -4.743 12.525 1.00 0.00 O ATOM 125 CB LEU X 11 32.960 -6.993 11.670 1.00 0.00 C ATOM 126 CG LEU X 11 33.708 -5.701 12.009 1.00 0.00 C ATOM 127 CD1 LEU X 11 33.938 -5.614 13.519 1.00 0.00 C ATOM 128 CD2 LEU X 11 35.055 -5.697 11.288 1.00 0.00 C ATOM 0 H LEU X 11 31.321 -8.805 11.320 1.00 0.00 H new ATOM 0 HA LEU X 11 31.682 -6.912 13.399 1.00 0.00 H new ATOM 0 HB2 LEU X 11 33.525 -7.855 12.025 1.00 0.00 H new ATOM 0 HB3 LEU X 11 32.866 -7.097 10.589 1.00 0.00 H new ATOM 0 HG LEU X 11 33.115 -4.845 11.688 1.00 0.00 H new ATOM 0 HD11 LEU X 11 34.471 -4.692 13.753 1.00 0.00 H new ATOM 0 HD12 LEU X 11 32.977 -5.619 14.034 1.00 0.00 H new ATOM 0 HD13 LEU X 11 34.530 -6.469 13.847 1.00 0.00 H new ATOM 0 HD21 LEU X 11 35.592 -4.779 11.526 1.00 0.00 H new ATOM 0 HD22 LEU X 11 35.643 -6.556 11.611 1.00 0.00 H new ATOM 0 HD23 LEU X 11 34.892 -5.753 10.212 1.00 0.00 H new ATOM 140 N VAL X 12 30.237 -5.860 10.630 1.00 0.00 N ATOM 141 CA VAL X 12 29.475 -4.758 10.057 1.00 0.00 C ATOM 142 C VAL X 12 28.292 -4.397 10.943 1.00 0.00 C ATOM 143 O VAL X 12 28.013 -3.223 11.176 1.00 0.00 O ATOM 144 CB VAL X 12 28.979 -5.138 8.660 1.00 0.00 C ATOM 145 CG1 VAL X 12 27.906 -4.144 8.206 1.00 0.00 C ATOM 146 CG2 VAL X 12 30.154 -5.080 7.677 1.00 0.00 C ATOM 0 H VAL X 12 30.295 -6.690 10.040 1.00 0.00 H new ATOM 0 HA VAL X 12 30.130 -3.890 9.986 1.00 0.00 H new ATOM 0 HB VAL X 12 28.560 -6.144 8.687 1.00 0.00 H new ATOM 0 HG11 VAL X 12 27.555 -4.417 7.211 1.00 0.00 H new ATOM 0 HG12 VAL X 12 27.070 -4.167 8.905 1.00 0.00 H new ATOM 0 HG13 VAL X 12 28.329 -3.140 8.179 1.00 0.00 H new ATOM 0 HG21 VAL X 12 29.807 -5.350 6.679 1.00 0.00 H new ATOM 0 HG22 VAL X 12 30.563 -4.070 7.658 1.00 0.00 H new ATOM 0 HG23 VAL X 12 30.928 -5.779 7.994 1.00 0.00 H new ATOM 156 N ASP X 13 27.599 -5.420 11.429 1.00 0.00 N ATOM 157 CA ASP X 13 26.444 -5.204 12.286 1.00 0.00 C ATOM 158 C ASP X 13 26.857 -4.458 13.551 1.00 0.00 C ATOM 159 O ASP X 13 26.175 -3.530 13.983 1.00 0.00 O ATOM 160 CB ASP X 13 25.816 -6.548 12.663 1.00 0.00 C ATOM 161 CG ASP X 13 24.520 -6.325 13.438 1.00 0.00 C ATOM 162 OD1 ASP X 13 24.233 -5.184 13.760 1.00 0.00 O ATOM 163 OD2 ASP X 13 23.834 -7.301 13.698 1.00 0.00 O ATOM 0 H ASP X 13 27.816 -6.400 11.245 1.00 0.00 H new ATOM 0 HA ASP X 13 25.713 -4.604 11.743 1.00 0.00 H new ATOM 0 HB2 ASP X 13 25.615 -7.129 11.763 1.00 0.00 H new ATOM 0 HB3 ASP X 13 26.514 -7.127 13.267 1.00 0.00 H new ATOM 168 N ALA X 14 27.975 -4.869 14.142 1.00 0.00 N ATOM 169 CA ALA X 14 28.459 -4.226 15.358 1.00 0.00 C ATOM 170 C ALA X 14 28.773 -2.756 15.103 1.00 0.00 C ATOM 171 O ALA X 14 28.451 -1.895 15.921 1.00 0.00 O ATOM 172 CB ALA X 14 29.716 -4.936 15.860 1.00 0.00 C ATOM 0 H ALA X 14 28.557 -5.635 13.803 1.00 0.00 H new ATOM 0 HA ALA X 14 27.676 -4.292 16.114 1.00 0.00 H new ATOM 0 HB1 ALA X 14 30.071 -4.449 16.768 1.00 0.00 H new ATOM 0 HB2 ALA X 14 29.484 -5.979 16.074 1.00 0.00 H new ATOM 0 HB3 ALA X 14 30.491 -4.887 15.096 1.00 0.00 H new ATOM 178 N LEU X 15 29.402 -2.478 13.966 1.00 0.00 N ATOM 179 CA LEU X 15 29.752 -1.106 13.618 1.00 0.00 C ATOM 180 C LEU X 15 28.497 -0.249 13.489 1.00 0.00 C ATOM 181 O LEU X 15 28.456 0.884 13.969 1.00 0.00 O ATOM 182 CB LEU X 15 30.527 -1.089 12.297 1.00 0.00 C ATOM 183 CG LEU X 15 31.943 -1.623 12.520 1.00 0.00 C ATOM 184 CD1 LEU X 15 32.558 -2.017 11.177 1.00 0.00 C ATOM 185 CD2 LEU X 15 32.803 -0.522 13.152 1.00 0.00 C ATOM 0 H LEU X 15 29.678 -3.177 13.276 1.00 0.00 H new ATOM 0 HA LEU X 15 30.376 -0.694 14.411 1.00 0.00 H new ATOM 0 HB2 LEU X 15 30.012 -1.698 11.555 1.00 0.00 H new ATOM 0 HB3 LEU X 15 30.569 -0.074 11.903 1.00 0.00 H new ATOM 0 HG LEU X 15 31.903 -2.492 13.177 1.00 0.00 H new ATOM 0 HD11 LEU X 15 33.567 -2.397 11.336 1.00 0.00 H new ATOM 0 HD12 LEU X 15 31.948 -2.791 10.710 1.00 0.00 H new ATOM 0 HD13 LEU X 15 32.598 -1.144 10.525 1.00 0.00 H new ATOM 0 HD21 LEU X 15 33.814 -0.897 13.313 1.00 0.00 H new ATOM 0 HD22 LEU X 15 32.838 0.340 12.486 1.00 0.00 H new ATOM 0 HD23 LEU X 15 32.370 -0.225 14.107 1.00 0.00 H new ATOM 197 N GLN X 16 27.472 -0.801 12.847 1.00 0.00 N ATOM 198 CA GLN X 16 26.217 -0.079 12.675 1.00 0.00 C ATOM 199 C GLN X 16 25.549 0.157 14.024 1.00 0.00 C ATOM 200 O GLN X 16 25.006 1.229 14.282 1.00 0.00 O ATOM 201 CB GLN X 16 25.279 -0.868 11.763 1.00 0.00 C ATOM 202 CG GLN X 16 25.820 -0.845 10.332 1.00 0.00 C ATOM 203 CD GLN X 16 25.016 -1.798 9.456 1.00 0.00 C ATOM 204 OE1 GLN X 16 24.491 -2.799 9.947 1.00 0.00 O ATOM 205 NE2 GLN X 16 24.885 -1.548 8.183 1.00 0.00 N ATOM 0 H GLN X 16 27.485 -1.737 12.441 1.00 0.00 H new ATOM 0 HA GLN X 16 26.433 0.886 12.217 1.00 0.00 H new ATOM 0 HB2 GLN X 16 25.193 -1.896 12.114 1.00 0.00 H new ATOM 0 HB3 GLN X 16 24.278 -0.437 11.792 1.00 0.00 H new ATOM 0 HG2 GLN X 16 25.764 0.166 9.930 1.00 0.00 H new ATOM 0 HG3 GLN X 16 26.871 -1.133 10.327 1.00 0.00 H new ATOM 0 HE21 GLN X 16 25.320 -0.719 7.779 1.00 0.00 H new ATOM 0 HE22 GLN X 16 24.347 -2.181 7.592 1.00 0.00 H new ATOM 214 N PHE X 17 25.604 -0.853 14.886 1.00 0.00 N ATOM 215 CA PHE X 17 25.013 -0.745 16.214 1.00 0.00 C ATOM 216 C PHE X 17 25.647 0.393 17.004 1.00 0.00 C ATOM 217 O PHE X 17 24.949 1.221 17.584 1.00 0.00 O ATOM 218 CB PHE X 17 25.206 -2.057 16.975 1.00 0.00 C ATOM 219 CG PHE X 17 24.890 -1.844 18.437 1.00 0.00 C ATOM 220 CD1 PHE X 17 23.570 -1.917 18.899 1.00 0.00 C ATOM 221 CD2 PHE X 17 25.932 -1.564 19.334 1.00 0.00 C ATOM 222 CE1 PHE X 17 23.291 -1.710 20.258 1.00 0.00 C ATOM 223 CE2 PHE X 17 25.652 -1.357 20.689 1.00 0.00 C ATOM 224 CZ PHE X 17 24.333 -1.433 21.152 1.00 0.00 C ATOM 0 H PHE X 17 26.049 -1.750 14.690 1.00 0.00 H new ATOM 0 HA PHE X 17 23.950 -0.537 16.096 1.00 0.00 H new ATOM 0 HB2 PHE X 17 24.557 -2.829 16.561 1.00 0.00 H new ATOM 0 HB3 PHE X 17 26.232 -2.408 16.861 1.00 0.00 H new ATOM 0 HD1 PHE X 17 22.767 -2.133 18.209 1.00 0.00 H new ATOM 0 HD2 PHE X 17 26.950 -1.508 18.978 1.00 0.00 H new ATOM 0 HE1 PHE X 17 22.273 -1.764 20.615 1.00 0.00 H new ATOM 0 HE2 PHE X 17 26.454 -1.138 21.378 1.00 0.00 H new ATOM 0 HZ PHE X 17 24.119 -1.278 22.199 1.00 0.00 H new ATOM 234 N VAL X 18 26.973 0.419 17.031 1.00 0.00 N ATOM 235 CA VAL X 18 27.690 1.450 17.768 1.00 0.00 C ATOM 236 C VAL X 18 27.388 2.828 17.187 1.00 0.00 C ATOM 237 O VAL X 18 27.156 3.787 17.924 1.00 0.00 O ATOM 238 CB VAL X 18 29.193 1.185 17.700 1.00 0.00 C ATOM 239 CG1 VAL X 18 29.941 2.338 18.364 1.00 0.00 C ATOM 240 CG2 VAL X 18 29.517 -0.121 18.427 1.00 0.00 C ATOM 0 H VAL X 18 27.570 -0.257 16.555 1.00 0.00 H new ATOM 0 HA VAL X 18 27.363 1.426 18.807 1.00 0.00 H new ATOM 0 HB VAL X 18 29.501 1.103 16.658 1.00 0.00 H new ATOM 0 HG11 VAL X 18 31.014 2.151 18.317 1.00 0.00 H new ATOM 0 HG12 VAL X 18 29.711 3.268 17.844 1.00 0.00 H new ATOM 0 HG13 VAL X 18 29.633 2.419 19.406 1.00 0.00 H new ATOM 0 HG21 VAL X 18 30.590 -0.309 18.378 1.00 0.00 H new ATOM 0 HG22 VAL X 18 29.210 -0.043 19.470 1.00 0.00 H new ATOM 0 HG23 VAL X 18 28.983 -0.944 17.952 1.00 0.00 H new ATOM 250 N CYS X 19 27.393 2.920 15.862 1.00 0.00 N ATOM 251 CA CYS X 19 27.121 4.185 15.192 1.00 0.00 C ATOM 252 C CYS X 19 25.658 4.582 15.381 1.00 0.00 C ATOM 253 O CYS X 19 25.294 5.744 15.197 1.00 0.00 O ATOM 254 CB CYS X 19 27.431 4.064 13.697 1.00 0.00 C ATOM 255 SG CYS X 19 29.180 3.656 13.461 1.00 0.00 S ATOM 0 H CYS X 19 27.581 2.139 15.234 1.00 0.00 H new ATOM 0 HA CYS X 19 27.757 4.954 15.631 1.00 0.00 H new ATOM 0 HB2 CYS X 19 26.805 3.293 13.248 1.00 0.00 H new ATOM 0 HB3 CYS X 19 27.196 5.000 13.191 1.00 0.00 H new ATOM 260 N GLY X 20 24.821 3.613 15.749 1.00 0.00 N ATOM 261 CA GLY X 20 23.406 3.886 15.959 1.00 0.00 C ATOM 262 C GLY X 20 22.648 3.894 14.639 1.00 0.00 C ATOM 263 O GLY X 20 21.980 4.872 14.309 1.00 0.00 O ATOM 0 H GLY X 20 25.097 2.644 15.906 1.00 0.00 H new ATOM 0 HA2 GLY X 20 22.981 3.132 16.621 1.00 0.00 H new ATOM 0 HA3 GLY X 20 23.288 4.849 16.456 1.00 0.00 H new ATOM 267 N ASP X 21 22.755 2.798 13.893 1.00 0.00 N ATOM 268 CA ASP X 21 22.073 2.684 12.607 1.00 0.00 C ATOM 269 C ASP X 21 22.544 3.776 11.647 1.00 0.00 C ATOM 270 O ASP X 21 21.737 4.383 10.939 1.00 0.00 O ATOM 271 CB ASP X 21 20.560 2.795 12.807 1.00 0.00 C ATOM 272 CG ASP X 21 20.076 1.703 13.756 1.00 0.00 C ATOM 273 OD1 ASP X 21 20.483 0.568 13.577 1.00 0.00 O ATOM 274 OD2 ASP X 21 19.306 2.019 14.648 1.00 0.00 O ATOM 0 H ASP X 21 23.305 1.980 14.155 1.00 0.00 H new ATOM 0 HA ASP X 21 22.313 1.712 12.176 1.00 0.00 H new ATOM 0 HB2 ASP X 21 20.310 3.776 13.211 1.00 0.00 H new ATOM 0 HB3 ASP X 21 20.051 2.706 11.847 1.00 0.00 H new ATOM 279 N ARG X 22 23.852 4.018 11.625 1.00 0.00 N ATOM 280 CA ARG X 22 24.419 5.025 10.749 1.00 0.00 C ATOM 281 C ARG X 22 25.601 4.440 9.983 1.00 0.00 C ATOM 282 O ARG X 22 26.602 4.031 10.572 1.00 0.00 O ATOM 283 CB ARG X 22 24.875 6.236 11.571 1.00 0.00 C ATOM 284 CG ARG X 22 23.676 6.884 12.240 1.00 0.00 C ATOM 285 CD ARG X 22 24.141 8.138 12.972 1.00 0.00 C ATOM 286 NE ARG X 22 23.057 8.664 13.783 1.00 0.00 N ATOM 287 CZ ARG X 22 23.187 9.802 14.470 1.00 0.00 C ATOM 288 NH1 ARG X 22 24.303 10.487 14.422 1.00 0.00 N ATOM 289 NH2 ARG X 22 22.196 10.241 15.199 1.00 0.00 N ATOM 0 H ARG X 22 24.534 3.529 12.205 1.00 0.00 H new ATOM 0 HA ARG X 22 23.659 5.346 10.037 1.00 0.00 H new ATOM 0 HB2 ARG X 22 25.599 5.924 12.324 1.00 0.00 H new ATOM 0 HB3 ARG X 22 25.377 6.957 10.926 1.00 0.00 H new ATOM 0 HG2 ARG X 22 22.921 7.139 11.496 1.00 0.00 H new ATOM 0 HG3 ARG X 22 23.212 6.188 12.940 1.00 0.00 H new ATOM 0 HD2 ARG X 22 24.999 7.905 13.602 1.00 0.00 H new ATOM 0 HD3 ARG X 22 24.468 8.890 12.253 1.00 0.00 H new ATOM 0 HE ARG X 22 22.176 8.152 13.829 1.00 0.00 H new ATOM 0 HH11 ARG X 22 25.083 10.152 13.856 1.00 0.00 H new ATOM 0 HH12 ARG X 22 24.392 11.355 14.950 1.00 0.00 H new ATOM 0 HH21 ARG X 22 21.323 9.715 15.243 1.00 0.00 H new ATOM 0 HH22 ARG X 22 22.295 11.110 15.724 1.00 0.00 H new ATOM 303 N GLY X 23 25.470 4.411 8.669 1.00 0.00 N ATOM 304 CA GLY X 23 26.521 3.877 7.808 1.00 0.00 C ATOM 305 C GLY X 23 27.825 4.644 8.004 1.00 0.00 C ATOM 306 O GLY X 23 27.822 5.801 8.419 1.00 0.00 O ATOM 0 H GLY X 23 24.647 4.750 8.170 1.00 0.00 H new ATOM 0 HA2 GLY X 23 26.678 2.822 8.030 1.00 0.00 H new ATOM 0 HA3 GLY X 23 26.210 3.940 6.765 1.00 0.00 H new ATOM 310 N PHE X 24 28.939 3.978 7.714 1.00 0.00 N ATOM 311 CA PHE X 24 30.253 4.589 7.874 1.00 0.00 C ATOM 312 C PHE X 24 31.065 4.475 6.590 1.00 0.00 C ATOM 313 O PHE X 24 30.957 3.490 5.860 1.00 0.00 O ATOM 314 CB PHE X 24 31.002 3.914 9.033 1.00 0.00 C ATOM 315 CG PHE X 24 30.661 2.442 9.078 1.00 0.00 C ATOM 316 CD1 PHE X 24 31.459 1.515 8.402 1.00 0.00 C ATOM 317 CD2 PHE X 24 29.535 2.009 9.790 1.00 0.00 C ATOM 318 CE1 PHE X 24 31.131 0.155 8.438 1.00 0.00 C ATOM 319 CE2 PHE X 24 29.208 0.652 9.827 1.00 0.00 C ATOM 320 CZ PHE X 24 30.004 -0.275 9.150 1.00 0.00 C ATOM 0 H PHE X 24 28.958 3.019 7.368 1.00 0.00 H new ATOM 0 HA PHE X 24 30.118 5.647 8.099 1.00 0.00 H new ATOM 0 HB2 PHE X 24 32.077 4.043 8.907 1.00 0.00 H new ATOM 0 HB3 PHE X 24 30.732 4.388 9.977 1.00 0.00 H new ATOM 0 HD1 PHE X 24 32.327 1.848 7.853 1.00 0.00 H new ATOM 0 HD2 PHE X 24 28.919 2.726 10.311 1.00 0.00 H new ATOM 0 HE1 PHE X 24 31.747 -0.563 7.917 1.00 0.00 H new ATOM 0 HE2 PHE X 24 28.341 0.320 10.378 1.00 0.00 H new ATOM 0 HZ PHE X 24 29.750 -1.324 9.176 1.00 0.00 H new ATOM 330 N TYR X 25 31.874 5.494 6.321 1.00 0.00 N ATOM 331 CA TYR X 25 32.695 5.503 5.120 1.00 0.00 C ATOM 332 C TYR X 25 33.691 4.353 5.136 1.00 0.00 C ATOM 333 O TYR X 25 34.010 3.791 4.090 1.00 0.00 O ATOM 334 CB TYR X 25 33.443 6.833 5.010 1.00 0.00 C ATOM 335 CG TYR X 25 34.414 6.962 6.159 1.00 0.00 C ATOM 336 CD1 TYR X 25 35.732 6.508 6.020 1.00 0.00 C ATOM 337 CD2 TYR X 25 33.993 7.533 7.367 1.00 0.00 C ATOM 338 CE1 TYR X 25 36.628 6.627 7.090 1.00 0.00 C ATOM 339 CE2 TYR X 25 34.888 7.651 8.434 1.00 0.00 C ATOM 340 CZ TYR X 25 36.204 7.198 8.298 1.00 0.00 C ATOM 341 OH TYR X 25 37.085 7.316 9.352 1.00 0.00 O ATOM 0 H TYR X 25 31.977 6.317 6.914 1.00 0.00 H new ATOM 0 HA TYR X 25 32.041 5.382 4.257 1.00 0.00 H new ATOM 0 HB2 TYR X 25 33.977 6.884 4.061 1.00 0.00 H new ATOM 0 HB3 TYR X 25 32.736 7.662 5.023 1.00 0.00 H new ATOM 0 HD1 TYR X 25 36.057 6.067 5.089 1.00 0.00 H new ATOM 0 HD2 TYR X 25 32.977 7.882 7.474 1.00 0.00 H new ATOM 0 HE1 TYR X 25 37.645 6.279 6.984 1.00 0.00 H new ATOM 0 HE2 TYR X 25 34.563 8.092 9.364 1.00 0.00 H new ATOM 0 HH TYR X 25 36.631 7.734 10.113 1.00 0.00 H new ATOM 351 N PHE X 26 34.170 4.007 6.330 1.00 0.00 N ATOM 352 CA PHE X 26 35.128 2.917 6.479 1.00 0.00 C ATOM 353 C PHE X 26 36.408 3.215 5.700 1.00 0.00 C ATOM 354 O PHE X 26 36.394 3.973 4.730 1.00 0.00 O ATOM 355 CB PHE X 26 34.514 1.609 5.973 1.00 0.00 C ATOM 356 CG PHE X 26 35.481 0.474 6.202 1.00 0.00 C ATOM 357 CD1 PHE X 26 35.572 -0.121 7.465 1.00 0.00 C ATOM 358 CD2 PHE X 26 36.283 0.019 5.152 1.00 0.00 C ATOM 359 CE1 PHE X 26 36.470 -1.173 7.677 1.00 0.00 C ATOM 360 CE2 PHE X 26 37.182 -1.032 5.364 1.00 0.00 C ATOM 361 CZ PHE X 26 37.275 -1.628 6.626 1.00 0.00 C ATOM 0 H PHE X 26 33.911 4.465 7.204 1.00 0.00 H new ATOM 0 HA PHE X 26 35.375 2.818 7.536 1.00 0.00 H new ATOM 0 HB2 PHE X 26 33.576 1.411 6.492 1.00 0.00 H new ATOM 0 HB3 PHE X 26 34.280 1.692 4.912 1.00 0.00 H new ATOM 0 HD1 PHE X 26 34.950 0.231 8.275 1.00 0.00 H new ATOM 0 HD2 PHE X 26 36.209 0.478 4.177 1.00 0.00 H new ATOM 0 HE1 PHE X 26 36.542 -1.634 8.651 1.00 0.00 H new ATOM 0 HE2 PHE X 26 37.804 -1.383 4.554 1.00 0.00 H new ATOM 0 HZ PHE X 26 37.968 -2.440 6.790 1.00 0.00 H new ATOM 371 N ASN X 27 37.512 2.612 6.125 1.00 0.00 N ATOM 372 CA ASN X 27 38.786 2.818 5.448 1.00 0.00 C ATOM 373 C ASN X 27 39.245 4.265 5.574 1.00 0.00 C ATOM 374 O ASN X 27 38.931 5.103 4.730 1.00 0.00 O ATOM 375 CB ASN X 27 38.658 2.446 3.970 1.00 0.00 C ATOM 376 CG ASN X 27 40.039 2.251 3.359 1.00 0.00 C ATOM 377 OD1 ASN X 27 40.955 1.775 4.029 1.00 0.00 O ATOM 378 ND2 ASN X 27 40.245 2.594 2.117 1.00 0.00 N ATOM 0 H ASN X 27 37.551 1.983 6.927 1.00 0.00 H new ATOM 0 HA ASN X 27 39.530 2.178 5.923 1.00 0.00 H new ATOM 0 HB2 ASN X 27 38.073 1.532 3.866 1.00 0.00 H new ATOM 0 HB3 ASN X 27 38.122 3.230 3.435 1.00 0.00 H new ATOM 0 HD21 ASN X 27 41.167 2.468 1.699 1.00 0.00 H new ATOM 0 HD22 ASN X 27 39.484 2.988 1.564 1.00 0.00 H new ATOM 385 N LYS X 28 39.992 4.547 6.634 1.00 0.00 N ATOM 386 CA LYS X 28 40.491 5.896 6.862 1.00 0.00 C ATOM 387 C LYS X 28 41.545 6.269 5.818 1.00 0.00 C ATOM 388 O LYS X 28 42.145 5.394 5.194 1.00 0.00 O ATOM 389 CB LYS X 28 41.099 6.011 8.261 1.00 0.00 C ATOM 390 CG LYS X 28 39.983 5.982 9.304 1.00 0.00 C ATOM 391 CD LYS X 28 40.590 6.107 10.701 1.00 0.00 C ATOM 392 CE LYS X 28 39.472 6.087 11.746 1.00 0.00 C ATOM 393 NZ LYS X 28 40.064 6.205 13.109 1.00 0.00 N ATOM 0 H LYS X 28 40.263 3.866 7.343 1.00 0.00 H new ATOM 0 HA LYS X 28 39.649 6.583 6.777 1.00 0.00 H new ATOM 0 HB2 LYS X 28 41.796 5.191 8.435 1.00 0.00 H new ATOM 0 HB3 LYS X 28 41.668 6.937 8.347 1.00 0.00 H new ATOM 0 HG2 LYS X 28 39.282 6.798 9.126 1.00 0.00 H new ATOM 0 HG3 LYS X 28 39.418 5.053 9.223 1.00 0.00 H new ATOM 0 HD2 LYS X 28 41.286 5.288 10.882 1.00 0.00 H new ATOM 0 HD3 LYS X 28 41.160 7.033 10.780 1.00 0.00 H new ATOM 0 HE2 LYS X 28 38.778 6.908 11.567 1.00 0.00 H new ATOM 0 HE3 LYS X 28 38.900 5.163 11.665 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 39.306 6.174 13.821 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 40.723 5.417 13.271 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 40.577 7.106 13.188 1.00 0.00 H new ATOM 407 N PRO X 29 41.772 7.543 5.617 1.00 0.00 N ATOM 408 CA PRO X 29 42.773 8.037 4.622 1.00 0.00 C ATOM 409 C PRO X 29 44.144 7.397 4.828 1.00 0.00 C ATOM 410 O PRO X 29 44.885 7.171 3.870 1.00 0.00 O ATOM 411 CB PRO X 29 42.835 9.542 4.893 1.00 0.00 C ATOM 412 CG PRO X 29 41.521 9.882 5.510 1.00 0.00 C ATOM 413 CD PRO X 29 41.103 8.659 6.313 1.00 0.00 C ATOM 0 HA PRO X 29 42.491 7.792 3.598 1.00 0.00 H new ATOM 0 HB2 PRO X 29 43.660 9.788 5.562 1.00 0.00 H new ATOM 0 HB3 PRO X 29 42.994 10.102 3.971 1.00 0.00 H new ATOM 0 HG2 PRO X 29 41.607 10.759 6.152 1.00 0.00 H new ATOM 0 HG3 PRO X 29 40.781 10.118 4.745 1.00 0.00 H new ATOM 0 HD2 PRO X 29 41.423 8.733 7.352 1.00 0.00 H new ATOM 0 HD3 PRO X 29 40.020 8.535 6.321 1.00 0.00 H new ATOM 421 N THR X 30 44.477 7.102 6.082 1.00 0.00 N ATOM 422 CA THR X 30 45.761 6.485 6.395 1.00 0.00 C ATOM 423 C THR X 30 45.605 5.466 7.519 1.00 0.00 C ATOM 424 O THR X 30 44.777 5.635 8.414 1.00 0.00 O ATOM 425 CB THR X 30 46.768 7.560 6.817 1.00 0.00 C ATOM 426 OG1 THR X 30 48.047 6.968 6.988 1.00 0.00 O ATOM 427 CG2 THR X 30 46.317 8.195 8.135 1.00 0.00 C ATOM 0 H THR X 30 43.881 7.279 6.891 1.00 0.00 H new ATOM 0 HA THR X 30 46.125 5.975 5.503 1.00 0.00 H new ATOM 0 HB THR X 30 46.824 8.329 6.046 1.00 0.00 H new ATOM 0 HG1 THR X 30 48.692 7.655 7.256 1.00 0.00 H new ATOM 0 HG21 THR X 30 47.034 8.960 8.435 1.00 0.00 H new ATOM 0 HG22 THR X 30 45.335 8.650 8.003 1.00 0.00 H new ATOM 0 HG23 THR X 30 46.260 7.428 8.908 1.00 0.00 H new ATOM 435 N GLY X 31 46.406 4.406 7.465 1.00 0.00 N ATOM 436 CA GLY X 31 46.348 3.363 8.481 1.00 0.00 C ATOM 437 C GLY X 31 47.749 2.880 8.846 1.00 0.00 C ATOM 438 O GLY X 31 47.921 1.765 9.336 1.00 0.00 O ATOM 0 H GLY X 31 47.098 4.248 6.733 1.00 0.00 H new ATOM 0 HA2 GLY X 31 45.847 3.744 9.371 1.00 0.00 H new ATOM 0 HA3 GLY X 31 45.754 2.526 8.115 1.00 0.00 H new ATOM 442 N TYR X 32 48.746 3.724 8.598 1.00 0.00 N ATOM 443 CA TYR X 32 50.124 3.362 8.903 1.00 0.00 C ATOM 444 C TYR X 32 50.612 4.118 10.134 1.00 0.00 C ATOM 445 O TYR X 32 50.512 5.343 10.203 1.00 0.00 O ATOM 446 CB TYR X 32 51.022 3.694 7.708 1.00 0.00 C ATOM 447 CG TYR X 32 50.620 2.846 6.525 1.00 0.00 C ATOM 448 CD1 TYR X 32 49.666 3.320 5.616 1.00 0.00 C ATOM 449 CD2 TYR X 32 51.202 1.586 6.336 1.00 0.00 C ATOM 450 CE1 TYR X 32 49.294 2.535 4.518 1.00 0.00 C ATOM 451 CE2 TYR X 32 50.829 0.801 5.239 1.00 0.00 C ATOM 452 CZ TYR X 32 49.875 1.275 4.330 1.00 0.00 C ATOM 453 OH TYR X 32 49.507 0.500 3.249 1.00 0.00 O ATOM 0 H TYR X 32 48.627 4.652 8.192 1.00 0.00 H new ATOM 0 HA TYR X 32 50.168 2.292 9.106 1.00 0.00 H new ATOM 0 HB2 TYR X 32 50.936 4.751 7.457 1.00 0.00 H new ATOM 0 HB3 TYR X 32 52.066 3.511 7.962 1.00 0.00 H new ATOM 0 HD1 TYR X 32 49.217 4.291 5.762 1.00 0.00 H new ATOM 0 HD2 TYR X 32 51.938 1.220 7.036 1.00 0.00 H new ATOM 0 HE1 TYR X 32 48.559 2.901 3.816 1.00 0.00 H new ATOM 0 HE2 TYR X 32 51.277 -0.171 5.093 1.00 0.00 H new ATOM 0 HH TYR X 32 50.005 -0.344 3.267 1.00 0.00 H new ATOM 463 N GLY X 33 51.141 3.378 11.103 1.00 0.00 N ATOM 464 CA GLY X 33 51.642 3.986 12.330 1.00 0.00 C ATOM 465 C GLY X 33 53.090 4.433 12.168 1.00 0.00 C ATOM 466 O GLY X 33 53.669 4.318 11.086 1.00 0.00 O ATOM 0 H GLY X 33 51.234 2.363 11.063 1.00 0.00 H new ATOM 0 HA2 GLY X 33 51.021 4.842 12.595 1.00 0.00 H new ATOM 0 HA3 GLY X 33 51.568 3.272 13.150 1.00 0.00 H new ATOM 470 N SER X 34 53.670 4.940 13.249 1.00 0.00 N ATOM 471 CA SER X 34 55.053 5.394 13.222 1.00 0.00 C ATOM 472 C SER X 34 55.927 4.529 14.132 1.00 0.00 C ATOM 473 O SER X 34 57.083 4.863 14.395 1.00 0.00 O ATOM 474 CB SER X 34 55.130 6.854 13.670 1.00 0.00 C ATOM 475 OG SER X 34 54.629 6.966 14.996 1.00 0.00 O ATOM 0 H SER X 34 53.206 5.046 14.151 1.00 0.00 H new ATOM 0 HA SER X 34 55.423 5.307 12.200 1.00 0.00 H new ATOM 0 HB2 SER X 34 56.161 7.205 13.628 1.00 0.00 H new ATOM 0 HB3 SER X 34 54.550 7.484 12.996 1.00 0.00 H new ATOM 0 HG SER X 34 54.679 7.901 15.287 1.00 0.00 H new ATOM 481 N SER X 35 55.368 3.419 14.619 1.00 0.00 N ATOM 482 CA SER X 35 56.101 2.523 15.495 1.00 0.00 C ATOM 483 C SER X 35 55.501 1.120 15.447 1.00 0.00 C ATOM 484 O SER X 35 54.278 0.943 15.441 1.00 0.00 O ATOM 485 CB SER X 35 56.057 3.059 16.924 1.00 0.00 C ATOM 486 OG SER X 35 56.667 2.118 17.797 1.00 0.00 O ATOM 0 H SER X 35 54.412 3.126 14.418 1.00 0.00 H new ATOM 0 HA SER X 35 57.136 2.468 15.159 1.00 0.00 H new ATOM 0 HB2 SER X 35 56.576 4.016 16.982 1.00 0.00 H new ATOM 0 HB3 SER X 35 55.025 3.237 17.226 1.00 0.00 H new ATOM 0 HG SER X 35 57.206 2.592 18.464 1.00 0.00 H new ATOM 492 N SER X 36 56.368 0.123 15.421 1.00 0.00 N ATOM 493 CA SER X 36 55.916 -1.262 15.371 1.00 0.00 C ATOM 494 C SER X 36 55.156 -1.614 16.643 1.00 0.00 C ATOM 495 O SER X 36 55.390 -1.028 17.700 1.00 0.00 O ATOM 496 CB SER X 36 57.112 -2.197 15.214 1.00 0.00 C ATOM 497 OG SER X 36 57.878 -2.181 16.412 1.00 0.00 O ATOM 0 H SER X 36 57.381 0.241 15.433 1.00 0.00 H new ATOM 0 HA SER X 36 55.252 -1.381 14.515 1.00 0.00 H new ATOM 0 HB2 SER X 36 56.771 -3.210 14.999 1.00 0.00 H new ATOM 0 HB3 SER X 36 57.727 -1.882 14.371 1.00 0.00 H new ATOM 0 HG SER X 36 58.647 -2.781 16.317 1.00 0.00 H new ATOM 503 N ARG X 37 54.241 -2.569 16.529 1.00 0.00 N ATOM 504 CA ARG X 37 53.437 -2.989 17.670 1.00 0.00 C ATOM 505 C ARG X 37 52.668 -1.804 18.253 1.00 0.00 C ATOM 506 O ARG X 37 52.170 -1.874 19.377 1.00 0.00 O ATOM 507 CB ARG X 37 54.339 -3.597 18.744 1.00 0.00 C ATOM 508 CG ARG X 37 55.070 -4.806 18.162 1.00 0.00 C ATOM 509 CD ARG X 37 56.018 -5.377 19.214 1.00 0.00 C ATOM 510 NE ARG X 37 55.264 -5.921 20.338 1.00 0.00 N ATOM 511 CZ ARG X 37 55.874 -6.326 21.452 1.00 0.00 C ATOM 512 NH1 ARG X 37 57.178 -6.245 21.568 1.00 0.00 N ATOM 513 NH2 ARG X 37 55.169 -6.807 22.439 1.00 0.00 N ATOM 0 H ARG X 37 54.038 -3.066 15.662 1.00 0.00 H new ATOM 0 HA ARG X 37 52.720 -3.737 17.332 1.00 0.00 H new ATOM 0 HB2 ARG X 37 55.058 -2.856 19.094 1.00 0.00 H new ATOM 0 HB3 ARG X 37 53.745 -3.897 19.607 1.00 0.00 H new ATOM 0 HG2 ARG X 37 54.352 -5.565 17.853 1.00 0.00 H new ATOM 0 HG3 ARG X 37 55.629 -4.514 17.273 1.00 0.00 H new ATOM 0 HD2 ARG X 37 56.635 -6.158 18.770 1.00 0.00 H new ATOM 0 HD3 ARG X 37 56.694 -4.597 19.565 1.00 0.00 H new ATOM 0 HE ARG X 37 54.249 -5.993 20.270 1.00 0.00 H new ATOM 0 HH11 ARG X 37 57.736 -5.869 20.801 1.00 0.00 H new ATOM 0 HH12 ARG X 37 57.634 -6.558 22.425 1.00 0.00 H new ATOM 0 HH21 ARG X 37 54.154 -6.872 22.357 1.00 0.00 H new ATOM 0 HH22 ARG X 37 55.632 -7.118 23.293 1.00 0.00 H new ATOM 527 N ARG X 38 52.566 -0.718 17.484 1.00 0.00 N ATOM 528 CA ARG X 38 51.848 0.462 17.939 1.00 0.00 C ATOM 529 C ARG X 38 50.978 1.016 16.819 1.00 0.00 C ATOM 530 O ARG X 38 51.288 0.850 15.640 1.00 0.00 O ATOM 531 CB ARG X 38 52.836 1.531 18.405 1.00 0.00 C ATOM 532 CG ARG X 38 53.621 1.006 19.607 1.00 0.00 C ATOM 533 CD ARG X 38 54.485 2.130 20.174 1.00 0.00 C ATOM 534 NE ARG X 38 53.647 3.164 20.770 1.00 0.00 N ATOM 535 CZ ARG X 38 54.166 4.308 21.216 1.00 0.00 C ATOM 536 NH1 ARG X 38 55.453 4.536 21.132 1.00 0.00 N ATOM 537 NH2 ARG X 38 53.384 5.212 21.741 1.00 0.00 N ATOM 0 H ARG X 38 52.970 -0.636 16.551 1.00 0.00 H new ATOM 0 HA ARG X 38 51.209 0.179 18.775 1.00 0.00 H new ATOM 0 HB2 ARG X 38 53.519 1.789 17.595 1.00 0.00 H new ATOM 0 HB3 ARG X 38 52.302 2.442 18.675 1.00 0.00 H new ATOM 0 HG2 ARG X 38 52.936 0.637 20.371 1.00 0.00 H new ATOM 0 HG3 ARG X 38 54.247 0.165 19.308 1.00 0.00 H new ATOM 0 HD2 ARG X 38 55.168 1.730 20.923 1.00 0.00 H new ATOM 0 HD3 ARG X 38 55.098 2.561 19.382 1.00 0.00 H new ATOM 0 HE ARG X 38 52.642 3.009 20.847 1.00 0.00 H new ATOM 0 HH11 ARG X 38 56.070 3.834 20.722 1.00 0.00 H new ATOM 0 HH12 ARG X 38 55.839 5.415 21.477 1.00 0.00 H new ATOM 0 HH21 ARG X 38 52.381 5.041 21.809 1.00 0.00 H new ATOM 0 HH22 ARG X 38 53.776 6.089 22.084 1.00 0.00 H new ATOM 551 N ALA X 39 49.888 1.674 17.195 1.00 0.00 N ATOM 552 CA ALA X 39 48.980 2.247 16.210 1.00 0.00 C ATOM 553 C ALA X 39 48.578 1.202 15.172 1.00 0.00 C ATOM 554 O ALA X 39 48.881 1.339 13.986 1.00 0.00 O ATOM 555 CB ALA X 39 49.648 3.431 15.511 1.00 0.00 C ATOM 0 H ALA X 39 49.613 1.823 18.166 1.00 0.00 H new ATOM 0 HA ALA X 39 48.084 2.588 16.729 1.00 0.00 H new ATOM 0 HB1 ALA X 39 48.963 3.854 14.776 1.00 0.00 H new ATOM 0 HB2 ALA X 39 49.904 4.192 16.248 1.00 0.00 H new ATOM 0 HB3 ALA X 39 50.555 3.093 15.009 1.00 0.00 H new ATOM 561 N PRO X 40 47.904 0.167 15.599 1.00 0.00 N ATOM 562 CA PRO X 40 47.444 -0.928 14.698 1.00 0.00 C ATOM 563 C PRO X 40 46.265 -0.499 13.832 1.00 0.00 C ATOM 564 O PRO X 40 45.147 -0.987 13.996 1.00 0.00 O ATOM 565 CB PRO X 40 47.042 -2.044 15.664 1.00 0.00 C ATOM 566 CG PRO X 40 46.675 -1.353 16.936 1.00 0.00 C ATOM 567 CD PRO X 40 47.504 -0.068 16.995 1.00 0.00 C ATOM 0 HA PRO X 40 48.215 -1.232 13.990 1.00 0.00 H new ATOM 0 HB2 PRO X 40 46.203 -2.619 15.273 1.00 0.00 H new ATOM 0 HB3 PRO X 40 47.863 -2.744 15.820 1.00 0.00 H new ATOM 0 HG2 PRO X 40 45.609 -1.127 16.960 1.00 0.00 H new ATOM 0 HG3 PRO X 40 46.885 -1.989 17.796 1.00 0.00 H new ATOM 0 HD2 PRO X 40 46.921 0.765 17.388 1.00 0.00 H new ATOM 0 HD3 PRO X 40 48.372 -0.183 17.644 1.00 0.00 H new ATOM 575 N GLN X 41 46.523 0.422 12.909 1.00 0.00 N ATOM 576 CA GLN X 41 45.479 0.915 12.020 1.00 0.00 C ATOM 577 C GLN X 41 45.650 0.341 10.615 1.00 0.00 C ATOM 578 O GLN X 41 45.100 0.871 9.648 1.00 0.00 O ATOM 579 CB GLN X 41 45.525 2.441 11.959 1.00 0.00 C ATOM 580 CG GLN X 41 45.095 3.016 13.310 1.00 0.00 C ATOM 581 CD GLN X 41 45.326 4.524 13.332 1.00 0.00 C ATOM 582 OE1 GLN X 41 46.232 5.024 12.668 1.00 0.00 O ATOM 583 NE2 GLN X 41 44.551 5.282 14.061 1.00 0.00 N ATOM 0 H GLN X 41 47.441 0.840 12.758 1.00 0.00 H new ATOM 0 HA GLN X 41 44.514 0.595 12.413 1.00 0.00 H new ATOM 0 HB2 GLN X 41 46.533 2.776 11.713 1.00 0.00 H new ATOM 0 HB3 GLN X 41 44.866 2.805 11.170 1.00 0.00 H new ATOM 0 HG2 GLN X 41 44.042 2.798 13.489 1.00 0.00 H new ATOM 0 HG3 GLN X 41 45.659 2.541 14.113 1.00 0.00 H new ATOM 0 HE21 GLN X 41 43.800 4.864 14.611 1.00 0.00 H new ATOM 0 HE22 GLN X 41 44.697 6.291 14.080 1.00 0.00 H new ATOM 592 N THR X 42 46.418 -0.741 10.502 1.00 0.00 N ATOM 593 CA THR X 42 46.656 -1.363 9.205 1.00 0.00 C ATOM 594 C THR X 42 45.344 -1.821 8.578 1.00 0.00 C ATOM 595 O THR X 42 45.085 -1.571 7.402 1.00 0.00 O ATOM 596 CB THR X 42 47.591 -2.561 9.372 1.00 0.00 C ATOM 597 OG1 THR X 42 48.837 -2.119 9.896 1.00 0.00 O ATOM 598 CG2 THR X 42 47.813 -3.231 8.017 1.00 0.00 C ATOM 0 H THR X 42 46.881 -1.200 11.286 1.00 0.00 H new ATOM 0 HA THR X 42 47.118 -0.627 8.547 1.00 0.00 H new ATOM 0 HB THR X 42 47.142 -3.279 10.059 1.00 0.00 H new ATOM 0 HG1 THR X 42 49.437 -2.886 10.005 1.00 0.00 H new ATOM 0 HG21 THR X 42 48.480 -4.085 8.138 1.00 0.00 H new ATOM 0 HG22 THR X 42 46.857 -3.571 7.618 1.00 0.00 H new ATOM 0 HG23 THR X 42 48.261 -2.516 7.327 1.00 0.00 H new ATOM 606 N GLY X 43 44.520 -2.489 9.372 1.00 0.00 N ATOM 607 CA GLY X 43 43.232 -2.972 8.882 1.00 0.00 C ATOM 608 C GLY X 43 42.157 -2.837 9.954 1.00 0.00 C ATOM 609 O GLY X 43 42.249 -3.460 11.009 1.00 0.00 O ATOM 0 H GLY X 43 44.715 -2.709 10.349 1.00 0.00 H new ATOM 0 HA2 GLY X 43 42.941 -2.408 7.996 1.00 0.00 H new ATOM 0 HA3 GLY X 43 43.321 -4.016 8.580 1.00 0.00 H new ATOM 613 N ILE X 44 41.136 -2.028 9.678 1.00 0.00 N ATOM 614 CA ILE X 44 40.054 -1.835 10.630 1.00 0.00 C ATOM 615 C ILE X 44 39.329 -3.149 10.894 1.00 0.00 C ATOM 616 O ILE X 44 39.087 -3.514 12.046 1.00 0.00 O ATOM 617 CB ILE X 44 39.068 -0.802 10.082 1.00 0.00 C ATOM 618 CG1 ILE X 44 39.720 0.585 10.096 1.00 0.00 C ATOM 619 CG2 ILE X 44 37.799 -0.796 10.934 1.00 0.00 C ATOM 620 CD1 ILE X 44 38.857 1.563 9.295 1.00 0.00 C ATOM 0 H ILE X 44 41.039 -1.502 8.810 1.00 0.00 H new ATOM 0 HA ILE X 44 40.475 -1.477 11.570 1.00 0.00 H new ATOM 0 HB ILE X 44 38.802 -1.061 9.057 1.00 0.00 H new ATOM 0 HG12 ILE X 44 39.830 0.937 11.122 1.00 0.00 H new ATOM 0 HG13 ILE X 44 40.721 0.532 9.668 1.00 0.00 H new ATOM 0 HG21 ILE X 44 37.100 -0.059 10.540 1.00 0.00 H new ATOM 0 HG22 ILE X 44 37.338 -1.784 10.908 1.00 0.00 H new ATOM 0 HG23 ILE X 44 38.053 -0.542 11.963 1.00 0.00 H new ATOM 0 HD11 ILE X 44 39.320 2.549 9.305 1.00 0.00 H new ATOM 0 HD12 ILE X 44 38.770 1.213 8.266 1.00 0.00 H new ATOM 0 HD13 ILE X 44 37.865 1.624 9.743 1.00 0.00 H new ATOM 632 N VAL X 45 38.994 -3.857 9.820 1.00 0.00 N ATOM 633 CA VAL X 45 38.306 -5.135 9.943 1.00 0.00 C ATOM 634 C VAL X 45 39.197 -6.176 10.596 1.00 0.00 C ATOM 635 O VAL X 45 38.752 -6.926 11.459 1.00 0.00 O ATOM 636 CB VAL X 45 37.862 -5.632 8.569 1.00 0.00 C ATOM 637 CG1 VAL X 45 37.385 -7.084 8.679 1.00 0.00 C ATOM 638 CG2 VAL X 45 36.707 -4.759 8.070 1.00 0.00 C ATOM 0 H VAL X 45 39.187 -3.569 8.861 1.00 0.00 H new ATOM 0 HA VAL X 45 37.430 -4.982 10.574 1.00 0.00 H new ATOM 0 HB VAL X 45 38.698 -5.576 7.872 1.00 0.00 H new ATOM 0 HG11 VAL X 45 37.068 -7.438 7.698 1.00 0.00 H new ATOM 0 HG12 VAL X 45 38.201 -7.708 9.044 1.00 0.00 H new ATOM 0 HG13 VAL X 45 36.546 -7.140 9.373 1.00 0.00 H new ATOM 0 HG21 VAL X 45 36.385 -5.108 7.089 1.00 0.00 H new ATOM 0 HG22 VAL X 45 35.874 -4.823 8.770 1.00 0.00 H new ATOM 0 HG23 VAL X 45 37.039 -3.724 7.995 1.00 0.00 H new ATOM 648 N ASP X 46 40.448 -6.223 10.166 1.00 0.00 N ATOM 649 CA ASP X 46 41.392 -7.187 10.706 1.00 0.00 C ATOM 650 C ASP X 46 41.643 -6.939 12.188 1.00 0.00 C ATOM 651 O ASP X 46 41.776 -7.882 12.961 1.00 0.00 O ATOM 652 CB ASP X 46 42.717 -7.100 9.953 1.00 0.00 C ATOM 653 CG ASP X 46 42.555 -7.653 8.542 1.00 0.00 C ATOM 654 OD1 ASP X 46 41.544 -8.286 8.288 1.00 0.00 O ATOM 655 OD2 ASP X 46 43.445 -7.436 7.737 1.00 0.00 O ATOM 0 H ASP X 46 40.831 -5.608 9.448 1.00 0.00 H new ATOM 0 HA ASP X 46 40.961 -8.181 10.585 1.00 0.00 H new ATOM 0 HB2 ASP X 46 43.052 -6.064 9.910 1.00 0.00 H new ATOM 0 HB3 ASP X 46 43.485 -7.661 10.486 1.00 0.00 H new ATOM 660 N GLU X 47 41.732 -5.671 12.576 1.00 0.00 N ATOM 661 CA GLU X 47 42.003 -5.345 13.972 1.00 0.00 C ATOM 662 C GLU X 47 40.895 -5.861 14.880 1.00 0.00 C ATOM 663 O GLU X 47 41.166 -6.535 15.872 1.00 0.00 O ATOM 664 CB GLU X 47 42.101 -3.825 14.118 1.00 0.00 C ATOM 665 CG GLU X 47 42.393 -3.459 15.574 1.00 0.00 C ATOM 666 CD GLU X 47 43.731 -4.052 15.993 1.00 0.00 C ATOM 667 OE1 GLU X 47 44.528 -4.344 15.116 1.00 0.00 O ATOM 668 OE2 GLU X 47 43.941 -4.208 17.186 1.00 0.00 O ATOM 0 H GLU X 47 41.623 -4.867 11.958 1.00 0.00 H new ATOM 0 HA GLU X 47 42.939 -5.820 14.264 1.00 0.00 H new ATOM 0 HB2 GLU X 47 42.889 -3.439 13.472 1.00 0.00 H new ATOM 0 HB3 GLU X 47 41.169 -3.359 13.797 1.00 0.00 H new ATOM 0 HG2 GLU X 47 42.412 -2.375 15.690 1.00 0.00 H new ATOM 0 HG3 GLU X 47 41.599 -3.835 16.220 1.00 0.00 H new ATOM 675 N CYS X 48 39.650 -5.540 14.544 1.00 0.00 N ATOM 676 CA CYS X 48 38.516 -5.977 15.351 1.00 0.00 C ATOM 677 C CYS X 48 38.275 -7.476 15.194 1.00 0.00 C ATOM 678 O CYS X 48 37.962 -8.171 16.159 1.00 0.00 O ATOM 679 CB CYS X 48 37.256 -5.222 14.941 1.00 0.00 C ATOM 680 SG CYS X 48 37.432 -3.488 15.417 1.00 0.00 S ATOM 0 H CYS X 48 39.401 -4.984 13.726 1.00 0.00 H new ATOM 0 HA CYS X 48 38.749 -5.765 16.395 1.00 0.00 H new ATOM 0 HB2 CYS X 48 37.101 -5.304 13.865 1.00 0.00 H new ATOM 0 HB3 CYS X 48 36.381 -5.658 15.423 1.00 0.00 H new ATOM 685 N CYS X 49 38.405 -7.960 13.961 1.00 0.00 N ATOM 686 CA CYS X 49 38.175 -9.372 13.674 1.00 0.00 C ATOM 687 C CYS X 49 39.153 -10.246 14.447 1.00 0.00 C ATOM 688 O CYS X 49 38.756 -11.221 15.083 1.00 0.00 O ATOM 689 CB CYS X 49 38.325 -9.633 12.171 1.00 0.00 C ATOM 690 SG CYS X 49 37.984 -11.376 11.812 1.00 0.00 S ATOM 0 H CYS X 49 38.667 -7.399 13.150 1.00 0.00 H new ATOM 0 HA CYS X 49 37.161 -9.624 13.986 1.00 0.00 H new ATOM 0 HB2 CYS X 49 37.639 -8.996 11.612 1.00 0.00 H new ATOM 0 HB3 CYS X 49 39.334 -9.376 11.847 1.00 0.00 H new ATOM 695 N PHE X 50 40.435 -9.897 14.386 1.00 0.00 N ATOM 696 CA PHE X 50 41.453 -10.669 15.085 1.00 0.00 C ATOM 697 C PHE X 50 41.567 -10.201 16.533 1.00 0.00 C ATOM 698 O PHE X 50 41.212 -10.925 17.461 1.00 0.00 O ATOM 699 CB PHE X 50 42.796 -10.502 14.372 1.00 0.00 C ATOM 700 CG PHE X 50 42.790 -11.310 13.098 1.00 0.00 C ATOM 701 CD1 PHE X 50 42.194 -10.784 11.944 1.00 0.00 C ATOM 702 CD2 PHE X 50 43.382 -12.578 13.063 1.00 0.00 C ATOM 703 CE1 PHE X 50 42.188 -11.522 10.755 1.00 0.00 C ATOM 704 CE2 PHE X 50 43.376 -13.319 11.874 1.00 0.00 C ATOM 705 CZ PHE X 50 42.779 -12.792 10.720 1.00 0.00 C ATOM 0 H PHE X 50 40.789 -9.094 13.866 1.00 0.00 H new ATOM 0 HA PHE X 50 41.171 -11.722 15.082 1.00 0.00 H new ATOM 0 HB2 PHE X 50 42.973 -9.450 14.148 1.00 0.00 H new ATOM 0 HB3 PHE X 50 43.608 -10.831 15.021 1.00 0.00 H new ATOM 0 HD1 PHE X 50 41.738 -9.806 11.972 1.00 0.00 H new ATOM 0 HD2 PHE X 50 43.843 -12.984 13.951 1.00 0.00 H new ATOM 0 HE1 PHE X 50 41.729 -11.114 9.867 1.00 0.00 H new ATOM 0 HE2 PHE X 50 43.832 -14.298 11.846 1.00 0.00 H new ATOM 0 HZ PHE X 50 42.775 -13.365 9.804 1.00 0.00 H new ATOM 715 N ARG X 51 42.065 -8.982 16.712 1.00 0.00 N ATOM 716 CA ARG X 51 42.226 -8.415 18.045 1.00 0.00 C ATOM 717 C ARG X 51 40.904 -7.853 18.556 1.00 0.00 C ATOM 718 O ARG X 51 39.982 -7.610 17.779 1.00 0.00 O ATOM 719 CB ARG X 51 43.279 -7.306 18.023 1.00 0.00 C ATOM 720 CG ARG X 51 44.649 -7.911 17.712 1.00 0.00 C ATOM 721 CD ARG X 51 45.683 -6.793 17.590 1.00 0.00 C ATOM 722 NE ARG X 51 45.852 -6.112 18.869 1.00 0.00 N ATOM 723 CZ ARG X 51 46.616 -5.024 18.981 1.00 0.00 C ATOM 724 NH1 ARG X 51 47.242 -4.536 17.937 1.00 0.00 N ATOM 725 NH2 ARG X 51 46.745 -4.439 20.140 1.00 0.00 N ATOM 0 H ARG X 51 42.363 -8.370 15.953 1.00 0.00 H new ATOM 0 HA ARG X 51 42.552 -9.210 18.715 1.00 0.00 H new ATOM 0 HB2 ARG X 51 43.020 -6.559 17.273 1.00 0.00 H new ATOM 0 HB3 ARG X 51 43.305 -6.795 18.986 1.00 0.00 H new ATOM 0 HG2 ARG X 51 44.939 -8.605 18.501 1.00 0.00 H new ATOM 0 HG3 ARG X 51 44.604 -8.482 16.785 1.00 0.00 H new ATOM 0 HD2 ARG X 51 46.637 -7.206 17.262 1.00 0.00 H new ATOM 0 HD3 ARG X 51 45.367 -6.079 16.830 1.00 0.00 H new ATOM 0 HE ARG X 51 45.376 -6.475 19.695 1.00 0.00 H new ATOM 0 HH11 ARG X 51 47.147 -4.989 17.028 1.00 0.00 H new ATOM 0 HH12 ARG X 51 47.824 -3.704 18.034 1.00 0.00 H new ATOM 0 HH21 ARG X 51 46.263 -4.814 20.957 1.00 0.00 H new ATOM 0 HH22 ARG X 51 47.328 -3.607 20.229 1.00 0.00 H new ATOM 739 N SER X 52 40.815 -7.647 19.862 1.00 0.00 N ATOM 740 CA SER X 52 39.597 -7.108 20.449 1.00 0.00 C ATOM 741 C SER X 52 39.675 -5.585 20.517 1.00 0.00 C ATOM 742 O SER X 52 40.152 -5.022 21.502 1.00 0.00 O ATOM 743 CB SER X 52 39.404 -7.675 21.856 1.00 0.00 C ATOM 744 OG SER X 52 38.263 -7.073 22.454 1.00 0.00 O ATOM 0 H SER X 52 41.562 -7.842 20.529 1.00 0.00 H new ATOM 0 HA SER X 52 38.750 -7.393 19.825 1.00 0.00 H new ATOM 0 HB2 SER X 52 39.276 -8.757 21.810 1.00 0.00 H new ATOM 0 HB3 SER X 52 40.290 -7.484 22.462 1.00 0.00 H new ATOM 0 HG SER X 52 38.136 -7.436 23.355 1.00 0.00 H new ATOM 750 N CYS X 53 39.200 -4.924 19.463 1.00 0.00 N ATOM 751 CA CYS X 53 39.222 -3.468 19.419 1.00 0.00 C ATOM 752 C CYS X 53 38.176 -2.888 20.366 1.00 0.00 C ATOM 753 O CYS X 53 37.085 -3.438 20.513 1.00 0.00 O ATOM 754 CB CYS X 53 38.961 -2.992 17.984 1.00 0.00 C ATOM 755 SG CYS X 53 37.323 -3.534 17.436 1.00 0.00 S ATOM 0 H CYS X 53 38.800 -5.370 18.638 1.00 0.00 H new ATOM 0 HA CYS X 53 40.204 -3.120 19.740 1.00 0.00 H new ATOM 0 HB2 CYS X 53 39.028 -1.905 17.935 1.00 0.00 H new ATOM 0 HB3 CYS X 53 39.726 -3.389 17.316 1.00 0.00 H new ATOM 760 N ASP X 54 38.519 -1.778 21.013 1.00 0.00 N ATOM 761 CA ASP X 54 37.604 -1.136 21.951 1.00 0.00 C ATOM 762 C ASP X 54 36.372 -0.597 21.229 1.00 0.00 C ATOM 763 O ASP X 54 36.472 -0.037 20.138 1.00 0.00 O ATOM 764 CB ASP X 54 38.316 0.012 22.669 1.00 0.00 C ATOM 765 CG ASP X 54 39.339 -0.545 23.653 1.00 0.00 C ATOM 766 OD1 ASP X 54 39.284 -1.732 23.926 1.00 0.00 O ATOM 767 OD2 ASP X 54 40.161 0.226 24.120 1.00 0.00 O ATOM 0 H ASP X 54 39.417 -1.307 20.906 1.00 0.00 H new ATOM 0 HA ASP X 54 37.283 -1.882 22.678 1.00 0.00 H new ATOM 0 HB2 ASP X 54 38.811 0.656 21.942 1.00 0.00 H new ATOM 0 HB3 ASP X 54 37.589 0.629 23.197 1.00 0.00 H new ATOM 772 N LEU X 55 35.211 -0.765 21.852 1.00 0.00 N ATOM 773 CA LEU X 55 33.968 -0.286 21.266 1.00 0.00 C ATOM 774 C LEU X 55 33.969 1.235 21.175 1.00 0.00 C ATOM 775 O LEU X 55 33.505 1.812 20.190 1.00 0.00 O ATOM 776 CB LEU X 55 32.779 -0.750 22.111 1.00 0.00 C ATOM 777 CG LEU X 55 32.613 -2.266 21.982 1.00 0.00 C ATOM 778 CD1 LEU X 55 31.590 -2.757 23.012 1.00 0.00 C ATOM 779 CD2 LEU X 55 32.121 -2.614 20.571 1.00 0.00 C ATOM 0 H LEU X 55 35.106 -1.226 22.756 1.00 0.00 H new ATOM 0 HA LEU X 55 33.880 -0.697 20.260 1.00 0.00 H new ATOM 0 HB2 LEU X 55 32.935 -0.479 23.155 1.00 0.00 H new ATOM 0 HB3 LEU X 55 31.870 -0.246 21.784 1.00 0.00 H new ATOM 0 HG LEU X 55 33.573 -2.750 22.160 1.00 0.00 H new ATOM 0 HD11 LEU X 55 31.471 -3.837 22.921 1.00 0.00 H new ATOM 0 HD12 LEU X 55 31.939 -2.514 24.016 1.00 0.00 H new ATOM 0 HD13 LEU X 55 30.631 -2.270 22.833 1.00 0.00 H new ATOM 0 HD21 LEU X 55 32.004 -3.694 20.483 1.00 0.00 H new ATOM 0 HD22 LEU X 55 31.162 -2.129 20.390 1.00 0.00 H new ATOM 0 HD23 LEU X 55 32.847 -2.266 19.836 1.00 0.00 H new ATOM 791 N ARG X 56 34.492 1.885 22.210 1.00 0.00 N ATOM 792 CA ARG X 56 34.537 3.339 22.232 1.00 0.00 C ATOM 793 C ARG X 56 35.331 3.866 21.040 1.00 0.00 C ATOM 794 O ARG X 56 34.877 4.766 20.331 1.00 0.00 O ATOM 795 CB ARG X 56 35.186 3.817 23.531 1.00 0.00 C ATOM 796 CG ARG X 56 35.203 5.346 23.562 1.00 0.00 C ATOM 797 CD ARG X 56 35.740 5.818 24.911 1.00 0.00 C ATOM 798 NE ARG X 56 35.848 7.272 24.937 1.00 0.00 N ATOM 799 CZ ARG X 56 36.127 7.930 26.062 1.00 0.00 C ATOM 800 NH1 ARG X 56 36.307 7.282 27.187 1.00 0.00 N ATOM 801 NH2 ARG X 56 36.220 9.231 26.046 1.00 0.00 N ATOM 0 H ARG X 56 34.886 1.432 23.035 1.00 0.00 H new ATOM 0 HA ARG X 56 33.517 3.720 22.172 1.00 0.00 H new ATOM 0 HB2 ARG X 56 34.634 3.432 24.389 1.00 0.00 H new ATOM 0 HB3 ARG X 56 36.202 3.430 23.606 1.00 0.00 H new ATOM 0 HG2 ARG X 56 35.827 5.731 22.755 1.00 0.00 H new ATOM 0 HG3 ARG X 56 34.198 5.736 23.401 1.00 0.00 H new ATOM 0 HD2 ARG X 56 35.079 5.482 25.710 1.00 0.00 H new ATOM 0 HD3 ARG X 56 36.717 5.371 25.097 1.00 0.00 H new ATOM 0 HE ARG X 56 35.707 7.798 24.074 1.00 0.00 H new ATOM 0 HH11 ARG X 56 36.234 6.265 27.207 1.00 0.00 H new ATOM 0 HH12 ARG X 56 36.520 7.795 28.043 1.00 0.00 H new ATOM 0 HH21 ARG X 56 36.079 9.742 25.174 1.00 0.00 H new ATOM 0 HH22 ARG X 56 36.433 9.738 26.905 1.00 0.00 H new ATOM 815 N ARG X 57 36.516 3.298 20.812 1.00 0.00 N ATOM 816 CA ARG X 57 37.346 3.712 19.702 1.00 0.00 C ATOM 817 C ARG X 57 36.647 3.413 18.381 1.00 0.00 C ATOM 818 O ARG X 57 36.744 4.183 17.426 1.00 0.00 O ATOM 819 CB ARG X 57 38.680 2.977 19.765 1.00 0.00 C ATOM 820 CG ARG X 57 39.629 3.591 18.750 1.00 0.00 C ATOM 821 CD ARG X 57 41.031 3.040 18.981 1.00 0.00 C ATOM 822 NE ARG X 57 41.105 1.633 18.605 1.00 0.00 N ATOM 823 CZ ARG X 57 42.225 0.925 18.768 1.00 0.00 C ATOM 824 NH1 ARG X 57 43.302 1.479 19.271 1.00 0.00 N ATOM 825 NH2 ARG X 57 42.252 -0.333 18.424 1.00 0.00 N ATOM 0 H ARG X 57 36.913 2.553 21.384 1.00 0.00 H new ATOM 0 HA ARG X 57 37.521 4.786 19.767 1.00 0.00 H new ATOM 0 HB2 ARG X 57 39.103 3.048 20.767 1.00 0.00 H new ATOM 0 HB3 ARG X 57 38.537 1.917 19.554 1.00 0.00 H new ATOM 0 HG2 ARG X 57 39.297 3.361 17.738 1.00 0.00 H new ATOM 0 HG3 ARG X 57 39.631 4.677 18.846 1.00 0.00 H new ATOM 0 HD2 ARG X 57 41.752 3.614 18.400 1.00 0.00 H new ATOM 0 HD3 ARG X 57 41.303 3.155 20.030 1.00 0.00 H new ATOM 0 HE ARG X 57 40.282 1.179 18.208 1.00 0.00 H new ATOM 0 HH11 ARG X 57 43.290 2.462 19.543 1.00 0.00 H new ATOM 0 HH12 ARG X 57 44.151 0.927 19.390 1.00 0.00 H new ATOM 0 HH21 ARG X 57 41.419 -0.772 18.032 1.00 0.00 H new ATOM 0 HH22 ARG X 57 43.106 -0.877 18.547 1.00 0.00 H new ATOM 839 N LEU X 58 35.953 2.280 18.331 1.00 0.00 N ATOM 840 CA LEU X 58 35.252 1.875 17.119 1.00 0.00 C ATOM 841 C LEU X 58 34.234 2.937 16.713 1.00 0.00 C ATOM 842 O LEU X 58 33.958 3.125 15.534 1.00 0.00 O ATOM 843 CB LEU X 58 34.534 0.543 17.343 1.00 0.00 C ATOM 844 CG LEU X 58 34.364 -0.180 16.004 1.00 0.00 C ATOM 845 CD1 LEU X 58 35.696 -0.796 15.593 1.00 0.00 C ATOM 846 CD2 LEU X 58 33.330 -1.293 16.147 1.00 0.00 C ATOM 0 H LEU X 58 35.862 1.630 19.112 1.00 0.00 H new ATOM 0 HA LEU X 58 35.986 1.760 16.322 1.00 0.00 H new ATOM 0 HB2 LEU X 58 35.105 -0.078 18.033 1.00 0.00 H new ATOM 0 HB3 LEU X 58 33.560 0.716 17.801 1.00 0.00 H new ATOM 0 HG LEU X 58 34.032 0.534 15.250 1.00 0.00 H new ATOM 0 HD11 LEU X 58 35.580 -1.312 14.640 1.00 0.00 H new ATOM 0 HD12 LEU X 58 36.444 -0.010 15.491 1.00 0.00 H new ATOM 0 HD13 LEU X 58 36.018 -1.507 16.354 1.00 0.00 H new ATOM 0 HD21 LEU X 58 33.212 -1.805 15.192 1.00 0.00 H new ATOM 0 HD22 LEU X 58 33.664 -2.005 16.902 1.00 0.00 H new ATOM 0 HD23 LEU X 58 32.374 -0.865 16.450 1.00 0.00 H new ATOM 858 N ASP X 59 33.679 3.632 17.695 1.00 0.00 N ATOM 859 CA ASP X 59 32.692 4.671 17.422 1.00 0.00 C ATOM 860 C ASP X 59 33.277 5.731 16.490 1.00 0.00 C ATOM 861 O ASP X 59 32.562 6.330 15.688 1.00 0.00 O ATOM 862 CB ASP X 59 32.250 5.327 18.729 1.00 0.00 C ATOM 863 CG ASP X 59 31.082 6.272 18.467 1.00 0.00 C ATOM 864 OD1 ASP X 59 30.647 6.344 17.329 1.00 0.00 O ATOM 865 OD2 ASP X 59 30.643 6.915 19.407 1.00 0.00 O ATOM 0 H ASP X 59 33.892 3.498 18.683 1.00 0.00 H new ATOM 0 HA ASP X 59 31.830 4.211 16.938 1.00 0.00 H new ATOM 0 HB2 ASP X 59 31.956 4.563 19.448 1.00 0.00 H new ATOM 0 HB3 ASP X 59 33.082 5.877 19.170 1.00 0.00 H new ATOM 870 N MET X 60 34.579 5.958 16.603 1.00 0.00 N ATOM 871 CA MET X 60 35.248 6.949 15.767 1.00 0.00 C ATOM 872 C MET X 60 35.164 6.560 14.290 1.00 0.00 C ATOM 873 O MET X 60 35.339 7.400 13.408 1.00 0.00 O ATOM 874 CB MET X 60 36.718 7.074 16.179 1.00 0.00 C ATOM 875 CG MET X 60 36.807 7.724 17.561 1.00 0.00 C ATOM 876 SD MET X 60 38.527 7.718 18.121 1.00 0.00 S ATOM 877 CE MET X 60 39.152 8.938 16.940 1.00 0.00 C ATOM 0 H MET X 60 35.190 5.474 17.260 1.00 0.00 H new ATOM 0 HA MET X 60 34.746 7.907 15.906 1.00 0.00 H new ATOM 0 HB2 MET X 60 37.187 6.090 16.197 1.00 0.00 H new ATOM 0 HB3 MET X 60 37.262 7.672 15.448 1.00 0.00 H new ATOM 0 HG2 MET X 60 36.431 8.746 17.519 1.00 0.00 H new ATOM 0 HG3 MET X 60 36.181 7.183 18.270 1.00 0.00 H new ATOM 0 HE1 MET X 60 39.733 9.693 17.470 1.00 0.00 H new ATOM 0 HE2 MET X 60 39.786 8.442 16.205 1.00 0.00 H new ATOM 0 HE3 MET X 60 38.314 9.416 16.432 1.00 0.00 H new ATOM 887 N TYR X 61 34.900 5.280 14.026 1.00 0.00 N ATOM 888 CA TYR X 61 34.806 4.794 12.650 1.00 0.00 C ATOM 889 C TYR X 61 33.477 5.202 12.027 1.00 0.00 C ATOM 890 O TYR X 61 33.286 5.089 10.819 1.00 0.00 O ATOM 891 CB TYR X 61 34.950 3.264 12.643 1.00 0.00 C ATOM 892 CG TYR X 61 36.351 2.863 13.080 1.00 0.00 C ATOM 893 CD1 TYR X 61 37.334 3.836 13.358 1.00 0.00 C ATOM 894 CD2 TYR X 61 36.659 1.509 13.244 1.00 0.00 C ATOM 895 CE1 TYR X 61 38.603 3.451 13.786 1.00 0.00 C ATOM 896 CE2 TYR X 61 37.935 1.127 13.674 1.00 0.00 C ATOM 897 CZ TYR X 61 38.906 2.100 13.945 1.00 0.00 C ATOM 898 OH TYR X 61 40.165 1.729 14.361 1.00 0.00 O ATOM 0 H TYR X 61 34.749 4.567 14.740 1.00 0.00 H new ATOM 0 HA TYR X 61 35.607 5.237 12.059 1.00 0.00 H new ATOM 0 HB2 TYR X 61 34.212 2.820 13.311 1.00 0.00 H new ATOM 0 HB3 TYR X 61 34.749 2.878 11.644 1.00 0.00 H new ATOM 0 HD1 TYR X 61 37.102 4.884 13.239 1.00 0.00 H new ATOM 0 HD2 TYR X 61 35.911 0.757 13.039 1.00 0.00 H new ATOM 0 HE1 TYR X 61 39.352 4.200 13.995 1.00 0.00 H new ATOM 0 HE2 TYR X 61 38.172 0.080 13.797 1.00 0.00 H new ATOM 0 HH TYR X 61 40.214 0.752 14.423 1.00 0.00 H new ATOM 908 N CYS X 62 32.561 5.685 12.862 1.00 0.00 N ATOM 909 CA CYS X 62 31.261 6.107 12.381 1.00 0.00 C ATOM 910 C CYS X 62 31.405 7.328 11.482 1.00 0.00 C ATOM 911 O CYS X 62 32.422 8.023 11.521 1.00 0.00 O ATOM 912 CB CYS X 62 30.359 6.442 13.566 1.00 0.00 C ATOM 913 SG CYS X 62 30.180 4.978 14.614 1.00 0.00 S ATOM 0 H CYS X 62 32.699 5.791 13.867 1.00 0.00 H new ATOM 0 HA CYS X 62 30.815 5.296 11.805 1.00 0.00 H new ATOM 0 HB2 CYS X 62 30.785 7.265 14.140 1.00 0.00 H new ATOM 0 HB3 CYS X 62 29.382 6.772 13.212 1.00 0.00 H new ATOM 918 N ALA X 63 30.387 7.581 10.672 1.00 0.00 N ATOM 919 CA ALA X 63 30.414 8.721 9.767 1.00 0.00 C ATOM 920 C ALA X 63 29.291 9.703 10.118 1.00 0.00 C ATOM 921 O ALA X 63 28.165 9.562 9.639 1.00 0.00 O ATOM 922 CB ALA X 63 30.240 8.248 8.329 1.00 0.00 C ATOM 0 H ALA X 63 29.538 7.017 10.623 1.00 0.00 H new ATOM 0 HA ALA X 63 31.375 9.224 9.870 1.00 0.00 H new ATOM 0 HB1 ALA X 63 30.261 9.107 7.658 1.00 0.00 H new ATOM 0 HB2 ALA X 63 31.049 7.565 8.070 1.00 0.00 H new ATOM 0 HB3 ALA X 63 29.285 7.733 8.228 1.00 0.00 H new ATOM 928 N PRO X 64 29.576 10.686 10.936 1.00 0.00 N ATOM 929 CA PRO X 64 28.568 11.708 11.358 1.00 0.00 C ATOM 930 C PRO X 64 27.951 12.425 10.159 1.00 0.00 C ATOM 931 O PRO X 64 28.640 12.744 9.192 1.00 0.00 O ATOM 932 CB PRO X 64 29.382 12.683 12.217 1.00 0.00 C ATOM 933 CG PRO X 64 30.568 11.904 12.677 1.00 0.00 C ATOM 934 CD PRO X 64 30.884 10.928 11.554 1.00 0.00 C ATOM 0 HA PRO X 64 27.727 11.264 11.891 1.00 0.00 H new ATOM 0 HB2 PRO X 64 29.685 13.557 11.641 1.00 0.00 H new ATOM 0 HB3 PRO X 64 28.797 13.046 13.062 1.00 0.00 H new ATOM 0 HG2 PRO X 64 31.415 12.561 12.874 1.00 0.00 H new ATOM 0 HG3 PRO X 64 30.352 11.375 13.605 1.00 0.00 H new ATOM 0 HD2 PRO X 64 31.593 11.351 10.842 1.00 0.00 H new ATOM 0 HD3 PRO X 64 31.325 10.007 11.934 1.00 0.00 H new ATOM 942 N LEU X 65 26.648 12.674 10.234 1.00 0.00 N ATOM 943 CA LEU X 65 25.944 13.351 9.150 1.00 0.00 C ATOM 944 C LEU X 65 26.201 14.854 9.195 1.00 0.00 C ATOM 945 O LEU X 65 26.383 15.431 10.267 1.00 0.00 O ATOM 946 CB LEU X 65 24.440 13.089 9.268 1.00 0.00 C ATOM 947 CG LEU X 65 24.174 11.583 9.189 1.00 0.00 C ATOM 948 CD1 LEU X 65 22.686 11.314 9.424 1.00 0.00 C ATOM 949 CD2 LEU X 65 24.565 11.062 7.801 1.00 0.00 C ATOM 0 H LEU X 65 26.061 12.419 11.028 1.00 0.00 H new ATOM 0 HA LEU X 65 26.314 12.960 8.202 1.00 0.00 H new ATOM 0 HB2 LEU X 65 24.064 13.486 10.211 1.00 0.00 H new ATOM 0 HB3 LEU X 65 23.907 13.605 8.470 1.00 0.00 H new ATOM 0 HG LEU X 65 24.765 11.074 9.950 1.00 0.00 H new ATOM 0 HD11 LEU X 65 22.497 10.242 9.368 1.00 0.00 H new ATOM 0 HD12 LEU X 65 22.401 11.682 10.410 1.00 0.00 H new ATOM 0 HD13 LEU X 65 22.099 11.827 8.662 1.00 0.00 H new ATOM 0 HD21 LEU X 65 24.375 9.990 7.748 1.00 0.00 H new ATOM 0 HD22 LEU X 65 23.975 11.574 7.041 1.00 0.00 H new ATOM 0 HD23 LEU X 65 25.624 11.251 7.626 1.00 0.00 H new ATOM 961 N LYS X 66 26.224 15.486 8.024 1.00 0.00 N ATOM 962 CA LYS X 66 26.469 16.918 7.948 1.00 0.00 C ATOM 963 C LYS X 66 25.347 17.607 7.175 1.00 0.00 C ATOM 964 O LYS X 66 25.545 18.075 6.053 1.00 0.00 O ATOM 965 CB LYS X 66 27.797 17.160 7.236 1.00 0.00 C ATOM 966 CG LYS X 66 28.921 16.449 7.994 1.00 0.00 C ATOM 967 CD LYS X 66 30.172 16.422 7.125 1.00 0.00 C ATOM 968 CE LYS X 66 31.347 15.868 7.934 1.00 0.00 C ATOM 969 NZ LYS X 66 31.046 14.470 8.356 1.00 0.00 N ATOM 0 H LYS X 66 26.077 15.031 7.123 1.00 0.00 H new ATOM 0 HA LYS X 66 26.505 17.328 8.957 1.00 0.00 H new ATOM 0 HB2 LYS X 66 27.745 16.791 6.212 1.00 0.00 H new ATOM 0 HB3 LYS X 66 28.002 18.229 7.180 1.00 0.00 H new ATOM 0 HG2 LYS X 66 29.126 16.965 8.932 1.00 0.00 H new ATOM 0 HG3 LYS X 66 28.618 15.433 8.248 1.00 0.00 H new ATOM 0 HD2 LYS X 66 30.001 15.804 6.243 1.00 0.00 H new ATOM 0 HD3 LYS X 66 30.403 17.427 6.771 1.00 0.00 H new ATOM 0 HE2 LYS X 66 32.257 15.890 7.335 1.00 0.00 H new ATOM 0 HE3 LYS X 66 31.526 16.493 8.809 1.00 0.00 H new ATOM 0 HZ1 LYS X 66 31.921 14.008 8.677 1.00 0.00 H new ATOM 0 HZ2 LYS X 66 30.356 14.483 9.134 1.00 0.00 H new ATOM 0 HZ3 LYS X 66 30.651 13.942 7.552 1.00 0.00 H new ATOM 983 N PRO X 67 24.180 17.675 7.762 1.00 0.00 N ATOM 984 CA PRO X 67 22.991 18.323 7.131 1.00 0.00 C ATOM 985 C PRO X 67 23.131 19.841 7.070 1.00 0.00 C ATOM 986 O PRO X 67 23.821 20.443 7.891 1.00 0.00 O ATOM 987 CB PRO X 67 21.833 17.913 8.042 1.00 0.00 C ATOM 988 CG PRO X 67 22.455 17.652 9.372 1.00 0.00 C ATOM 989 CD PRO X 67 23.868 17.139 9.096 1.00 0.00 C ATOM 0 HA PRO X 67 22.853 18.013 6.095 1.00 0.00 H new ATOM 0 HB2 PRO X 67 21.084 18.702 8.106 1.00 0.00 H new ATOM 0 HB3 PRO X 67 21.329 17.025 7.662 1.00 0.00 H new ATOM 0 HG2 PRO X 67 22.483 18.561 9.973 1.00 0.00 H new ATOM 0 HG3 PRO X 67 21.878 16.917 9.933 1.00 0.00 H new ATOM 0 HD2 PRO X 67 24.576 17.493 9.845 1.00 0.00 H new ATOM 0 HD3 PRO X 67 23.908 16.050 9.109 1.00 0.00 H new ATOM 997 N ALA X 68 22.473 20.452 6.091 1.00 0.00 N ATOM 998 CA ALA X 68 22.535 21.900 5.935 1.00 0.00 C ATOM 999 C ALA X 68 21.975 22.601 7.167 1.00 0.00 C ATOM 1000 O ALA X 68 22.528 23.596 7.634 1.00 0.00 O ATOM 1001 CB ALA X 68 21.740 22.323 4.699 1.00 0.00 C ATOM 0 H ALA X 68 21.896 19.973 5.400 1.00 0.00 H new ATOM 0 HA ALA X 68 23.579 22.188 5.815 1.00 0.00 H new ATOM 0 HB1 ALA X 68 21.790 23.406 4.587 1.00 0.00 H new ATOM 0 HB2 ALA X 68 22.163 21.847 3.814 1.00 0.00 H new ATOM 0 HB3 ALA X 68 20.700 22.018 4.813 1.00 0.00 H new ATOM 1007 N LYS X 69 20.872 22.074 7.684 1.00 0.00 N ATOM 1008 CA LYS X 69 20.240 22.657 8.863 1.00 0.00 C ATOM 1009 C LYS X 69 21.189 22.616 10.057 1.00 0.00 C ATOM 1010 O LYS X 69 21.329 23.599 10.784 1.00 0.00 O ATOM 1011 CB LYS X 69 18.959 21.892 9.199 1.00 0.00 C ATOM 1012 CG LYS X 69 18.273 22.549 10.398 1.00 0.00 C ATOM 1013 CD LYS X 69 17.015 21.759 10.771 1.00 0.00 C ATOM 1014 CE LYS X 69 15.960 21.930 9.675 1.00 0.00 C ATOM 1015 NZ LYS X 69 14.695 21.266 10.096 1.00 0.00 N ATOM 0 H LYS X 69 20.399 21.251 7.310 1.00 0.00 H new ATOM 0 HA LYS X 69 19.996 23.697 8.645 1.00 0.00 H new ATOM 0 HB2 LYS X 69 18.289 21.889 8.340 1.00 0.00 H new ATOM 0 HB3 LYS X 69 19.193 20.852 9.425 1.00 0.00 H new ATOM 0 HG2 LYS X 69 18.957 22.584 11.246 1.00 0.00 H new ATOM 0 HG3 LYS X 69 18.009 23.579 10.159 1.00 0.00 H new ATOM 0 HD2 LYS X 69 17.259 20.704 10.894 1.00 0.00 H new ATOM 0 HD3 LYS X 69 16.623 22.109 11.726 1.00 0.00 H new ATOM 0 HE2 LYS X 69 15.783 22.989 9.488 1.00 0.00 H new ATOM 0 HE3 LYS X 69 16.317 21.497 8.741 1.00 0.00 H new ATOM 0 HZ1 LYS X 69 13.978 21.382 9.352 1.00 0.00 H new ATOM 0 HZ2 LYS X 69 14.870 20.253 10.253 1.00 0.00 H new ATOM 0 HZ3 LYS X 69 14.352 21.699 10.977 1.00 0.00 H new ATOM 1029 N SER X 70 21.836 21.473 10.251 1.00 0.00 N ATOM 1030 CA SER X 70 22.769 21.313 11.360 1.00 0.00 C ATOM 1031 C SER X 70 22.087 21.634 12.687 1.00 0.00 C ATOM 1032 O SER X 70 22.697 22.212 13.587 1.00 0.00 O ATOM 1033 CB SER X 70 23.970 22.236 11.167 1.00 0.00 C ATOM 1034 OG SER X 70 24.633 21.896 9.956 1.00 0.00 O ATOM 0 H SER X 70 21.733 20.648 9.659 1.00 0.00 H new ATOM 0 HA SER X 70 23.106 20.276 11.380 1.00 0.00 H new ATOM 0 HB2 SER X 70 23.643 23.275 11.137 1.00 0.00 H new ATOM 0 HB3 SER X 70 24.655 22.141 12.009 1.00 0.00 H new ATOM 0 HG SER X 70 24.123 21.203 9.487 1.00 0.00 H new ATOM 1040 N ALA X 71 20.818 21.254 12.802 1.00 0.00 N ATOM 1041 CA ALA X 71 20.064 21.505 14.024 1.00 0.00 C ATOM 1042 C ALA X 71 18.874 20.555 14.125 1.00 0.00 C ATOM 1043 CB ALA X 71 19.567 22.953 14.047 1.00 0.00 C ATOM 0 H ALA X 71 20.294 20.775 12.070 1.00 0.00 H new ATOM 0 HA ALA X 71 20.724 21.335 14.875 1.00 0.00 H new ATOM 0 HB1 ALA X 71 19.005 23.130 14.964 1.00 0.00 H new ATOM 0 HB2 ALA X 71 20.420 23.631 14.007 1.00 0.00 H new ATOM 0 HB3 ALA X 71 18.922 23.130 13.186 1.00 0.00 H new TER 1049 ALA X 71