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 -115:sc= 0.334 USER MOD Single : X 16 GLN : amide:sc= -1.83 K(o=-1.8,f=-2.8!) USER MOD Single : X 25 TYR OH : rot 180:sc= 0 USER MOD Single : X 27 ASN : amide:sc= -2.28 K(o=-2.3,f=-6.2!) 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 180:sc= 0.471 USER MOD Single : X 35 SER OG : rot 180:sc= -0.575 USER MOD Single : X 36 SER OG : rot 180:sc= 0 USER MOD Single : X 41 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.27) USER MOD Single : X 42 THR OG1 : rot 180:sc= -0.653 USER MOD Single : X 52 SER OG : rot 180:sc= 0 USER MOD Single : X 60 MET CE :methyl -129:sc= -0.0779 (180deg=-0.596) USER MOD Single : X 61 TYR OH : rot 130:sc= -0.465 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 42.749 -15.912 13.743 1.00 0.00 N ATOM 2 CA GLY X 1 42.126 -15.186 14.888 1.00 0.00 C ATOM 3 C GLY X 1 41.585 -16.193 15.896 1.00 0.00 C ATOM 4 O GLY X 1 42.341 -16.971 16.480 1.00 0.00 O ATOM 0 H1 GLY X 1 43.118 -15.224 13.055 1.00 0.00 H new ATOM 0 H2 GLY X 1 43.529 -16.506 14.091 1.00 0.00 H new ATOM 0 H3 GLY X 1 42.035 -16.513 13.283 1.00 0.00 H new ATOM 0 HA2 GLY X 1 42.861 -14.538 15.365 1.00 0.00 H new ATOM 0 HA3 GLY X 1 41.320 -14.545 14.531 1.00 0.00 H new ATOM 10 N GLY X 2 40.270 -16.175 16.097 1.00 0.00 N ATOM 11 CA GLY X 2 39.635 -17.092 17.037 1.00 0.00 C ATOM 12 C GLY X 2 38.124 -16.873 17.078 1.00 0.00 C ATOM 13 O GLY X 2 37.590 -16.031 16.357 1.00 0.00 O ATOM 0 H GLY X 2 39.627 -15.539 15.624 1.00 0.00 H new ATOM 0 HA2 GLY X 2 39.849 -18.121 16.748 1.00 0.00 H new ATOM 0 HA3 GLY X 2 40.054 -16.946 18.032 1.00 0.00 H new ATOM 17 N PRO X 3 37.440 -17.612 17.909 1.00 0.00 N ATOM 18 CA PRO X 3 35.967 -17.512 18.062 1.00 0.00 C ATOM 19 C PRO X 3 35.570 -16.335 18.942 1.00 0.00 C ATOM 20 O PRO X 3 36.418 -15.687 19.554 1.00 0.00 O ATOM 21 CB PRO X 3 35.583 -18.845 18.699 1.00 0.00 C ATOM 22 CG PRO X 3 36.784 -19.273 19.472 1.00 0.00 C ATOM 23 CD PRO X 3 38.004 -18.628 18.806 1.00 0.00 C ATOM 0 HA PRO X 3 35.458 -17.334 17.115 1.00 0.00 H new ATOM 0 HB2 PRO X 3 34.716 -18.734 19.350 1.00 0.00 H new ATOM 0 HB3 PRO X 3 35.320 -19.582 17.940 1.00 0.00 H new ATOM 0 HG2 PRO X 3 36.703 -18.960 20.513 1.00 0.00 H new ATOM 0 HG3 PRO X 3 36.875 -20.359 19.472 1.00 0.00 H new ATOM 0 HD2 PRO X 3 38.669 -18.180 19.545 1.00 0.00 H new ATOM 0 HD3 PRO X 3 38.590 -19.363 18.254 1.00 0.00 H new ATOM 31 N GLU X 4 34.276 -16.068 18.989 1.00 0.00 N ATOM 32 CA GLU X 4 33.753 -14.965 19.787 1.00 0.00 C ATOM 33 C GLU X 4 34.352 -13.641 19.324 1.00 0.00 C ATOM 34 O GLU X 4 34.765 -12.816 20.139 1.00 0.00 O ATOM 35 CB GLU X 4 34.079 -15.186 21.266 1.00 0.00 C ATOM 36 CG GLU X 4 33.504 -16.528 21.722 1.00 0.00 C ATOM 37 CD GLU X 4 31.981 -16.488 21.673 1.00 0.00 C ATOM 38 OE1 GLU X 4 31.436 -15.396 21.666 1.00 0.00 O ATOM 39 OE2 GLU X 4 31.382 -17.550 21.643 1.00 0.00 O ATOM 0 H GLU X 4 33.566 -16.598 18.485 1.00 0.00 H new ATOM 0 HA GLU X 4 32.671 -14.928 19.657 1.00 0.00 H new ATOM 0 HB2 GLU X 4 35.158 -15.171 21.417 1.00 0.00 H new ATOM 0 HB3 GLU X 4 33.662 -14.377 21.866 1.00 0.00 H new ATOM 0 HG2 GLU X 4 33.875 -17.328 21.082 1.00 0.00 H new ATOM 0 HG3 GLU X 4 33.837 -16.750 22.736 1.00 0.00 H new ATOM 46 N THR X 5 34.396 -13.446 18.010 1.00 0.00 N ATOM 47 CA THR X 5 34.951 -12.221 17.444 1.00 0.00 C ATOM 48 C THR X 5 33.984 -11.605 16.438 1.00 0.00 C ATOM 49 O THR X 5 33.067 -12.270 15.956 1.00 0.00 O ATOM 50 CB THR X 5 36.285 -12.521 16.754 1.00 0.00 C ATOM 51 OG1 THR X 5 36.072 -13.448 15.700 1.00 0.00 O ATOM 52 CG2 THR X 5 37.269 -13.111 17.766 1.00 0.00 C ATOM 0 H THR X 5 34.056 -14.116 17.320 1.00 0.00 H new ATOM 0 HA THR X 5 35.112 -11.511 18.255 1.00 0.00 H new ATOM 0 HB THR X 5 36.699 -11.598 16.349 1.00 0.00 H new ATOM 0 HG1 THR X 5 36.539 -14.286 15.902 1.00 0.00 H new ATOM 0 HG21 THR X 5 38.217 -13.323 17.271 1.00 0.00 H new ATOM 0 HG22 THR X 5 37.433 -12.397 18.573 1.00 0.00 H new ATOM 0 HG23 THR X 5 36.859 -14.034 18.176 1.00 0.00 H new ATOM 60 N LEU X 6 34.192 -10.329 16.129 1.00 0.00 N ATOM 61 CA LEU X 6 33.327 -9.636 15.184 1.00 0.00 C ATOM 62 C LEU X 6 33.981 -9.578 13.807 1.00 0.00 C ATOM 63 O LEU X 6 34.811 -8.708 13.540 1.00 0.00 O ATOM 64 CB LEU X 6 33.059 -8.215 15.680 1.00 0.00 C ATOM 65 CG LEU X 6 32.484 -8.263 17.097 1.00 0.00 C ATOM 66 CD1 LEU X 6 32.296 -6.836 17.623 1.00 0.00 C ATOM 67 CD2 LEU X 6 31.133 -8.981 17.076 1.00 0.00 C ATOM 0 H LEU X 6 34.945 -9.759 16.515 1.00 0.00 H new ATOM 0 HA LEU X 6 32.387 -10.182 15.106 1.00 0.00 H new ATOM 0 HB2 LEU X 6 33.983 -7.636 15.671 1.00 0.00 H new ATOM 0 HB3 LEU X 6 32.361 -7.712 15.011 1.00 0.00 H new ATOM 0 HG LEU X 6 33.172 -8.802 17.749 1.00 0.00 H new ATOM 0 HD11 LEU X 6 31.886 -6.871 18.632 1.00 0.00 H new ATOM 0 HD12 LEU X 6 33.258 -6.325 17.640 1.00 0.00 H new ATOM 0 HD13 LEU X 6 31.609 -6.296 16.971 1.00 0.00 H new ATOM 0 HD21 LEU X 6 30.723 -9.015 18.086 1.00 0.00 H new ATOM 0 HD22 LEU X 6 30.445 -8.443 16.423 1.00 0.00 H new ATOM 0 HD23 LEU X 6 31.267 -9.997 16.704 1.00 0.00 H new ATOM 79 N CYS X 7 33.600 -10.507 12.937 1.00 0.00 N ATOM 80 CA CYS X 7 34.155 -10.551 11.590 1.00 0.00 C ATOM 81 C CYS X 7 33.042 -10.672 10.553 1.00 0.00 C ATOM 82 O CYS X 7 31.983 -11.237 10.828 1.00 0.00 O ATOM 83 CB CYS X 7 35.105 -11.743 11.460 1.00 0.00 C ATOM 84 SG CYS X 7 36.444 -11.577 12.665 1.00 0.00 S ATOM 0 H CYS X 7 32.914 -11.235 13.139 1.00 0.00 H new ATOM 0 HA CYS X 7 34.702 -9.625 11.412 1.00 0.00 H new ATOM 0 HB2 CYS X 7 34.563 -12.674 11.627 1.00 0.00 H new ATOM 0 HB3 CYS X 7 35.513 -11.789 10.450 1.00 0.00 H new ATOM 89 N GLY X 8 33.291 -10.148 9.356 1.00 0.00 N ATOM 90 CA GLY X 8 32.306 -10.216 8.285 1.00 0.00 C ATOM 91 C GLY X 8 31.009 -9.520 8.684 1.00 0.00 C ATOM 92 O GLY X 8 31.009 -8.355 9.077 1.00 0.00 O ATOM 0 H GLY X 8 34.160 -9.676 9.106 1.00 0.00 H new ATOM 0 HA2 GLY X 8 32.710 -9.751 7.386 1.00 0.00 H new ATOM 0 HA3 GLY X 8 32.102 -11.258 8.040 1.00 0.00 H new ATOM 96 N ALA X 9 29.904 -10.248 8.574 1.00 0.00 N ATOM 97 CA ALA X 9 28.597 -9.702 8.919 1.00 0.00 C ATOM 98 C ALA X 9 28.563 -9.277 10.383 1.00 0.00 C ATOM 99 O ALA X 9 27.928 -8.282 10.732 1.00 0.00 O ATOM 100 CB ALA X 9 27.505 -10.741 8.666 1.00 0.00 C ATOM 0 H ALA X 9 29.887 -11.215 8.250 1.00 0.00 H new ATOM 0 HA ALA X 9 28.417 -8.829 8.291 1.00 0.00 H new ATOM 0 HB1 ALA X 9 26.534 -10.320 8.928 1.00 0.00 H new ATOM 0 HB2 ALA X 9 27.507 -11.021 7.613 1.00 0.00 H new ATOM 0 HB3 ALA X 9 27.694 -11.624 9.277 1.00 0.00 H new ATOM 106 N GLU X 10 29.238 -10.039 11.239 1.00 0.00 N ATOM 107 CA GLU X 10 29.256 -9.728 12.663 1.00 0.00 C ATOM 108 C GLU X 10 29.849 -8.343 12.900 1.00 0.00 C ATOM 109 O GLU X 10 29.319 -7.557 13.685 1.00 0.00 O ATOM 110 CB GLU X 10 30.094 -10.771 13.405 1.00 0.00 C ATOM 111 CG GLU X 10 29.352 -12.110 13.420 1.00 0.00 C ATOM 112 CD GLU X 10 30.265 -13.206 13.957 1.00 0.00 C ATOM 113 OE1 GLU X 10 31.462 -12.975 14.021 1.00 0.00 O ATOM 114 OE2 GLU X 10 29.755 -14.261 14.297 1.00 0.00 O ATOM 0 H GLU X 10 29.773 -10.866 10.975 1.00 0.00 H new ATOM 0 HA GLU X 10 28.232 -9.742 13.036 1.00 0.00 H new ATOM 0 HB2 GLU X 10 31.063 -10.886 12.919 1.00 0.00 H new ATOM 0 HB3 GLU X 10 30.286 -10.439 14.425 1.00 0.00 H new ATOM 0 HG2 GLU X 10 28.459 -12.033 14.040 1.00 0.00 H new ATOM 0 HG3 GLU X 10 29.020 -12.363 12.413 1.00 0.00 H new ATOM 121 N LEU X 11 30.940 -8.044 12.205 1.00 0.00 N ATOM 122 CA LEU X 11 31.582 -6.742 12.341 1.00 0.00 C ATOM 123 C LEU X 11 30.675 -5.640 11.811 1.00 0.00 C ATOM 124 O LEU X 11 30.555 -4.574 12.413 1.00 0.00 O ATOM 125 CB LEU X 11 32.915 -6.725 11.588 1.00 0.00 C ATOM 126 CG LEU X 11 33.568 -5.344 11.721 1.00 0.00 C ATOM 127 CD1 LEU X 11 33.859 -5.041 13.193 1.00 0.00 C ATOM 128 CD2 LEU X 11 34.878 -5.328 10.932 1.00 0.00 C ATOM 0 H LEU X 11 31.395 -8.678 11.548 1.00 0.00 H new ATOM 0 HA LEU X 11 31.770 -6.563 13.400 1.00 0.00 H new ATOM 0 HB2 LEU X 11 33.579 -7.492 11.988 1.00 0.00 H new ATOM 0 HB3 LEU X 11 32.752 -6.961 10.536 1.00 0.00 H new ATOM 0 HG LEU X 11 32.889 -4.587 11.328 1.00 0.00 H new ATOM 0 HD11 LEU X 11 34.323 -4.058 13.277 1.00 0.00 H new ATOM 0 HD12 LEU X 11 32.927 -5.052 13.758 1.00 0.00 H new ATOM 0 HD13 LEU X 11 34.535 -5.797 13.593 1.00 0.00 H new ATOM 0 HD21 LEU X 11 35.346 -4.348 11.024 1.00 0.00 H new ATOM 0 HD22 LEU X 11 35.550 -6.089 11.327 1.00 0.00 H new ATOM 0 HD23 LEU X 11 34.673 -5.535 9.882 1.00 0.00 H new ATOM 140 N VAL X 12 30.039 -5.904 10.676 1.00 0.00 N ATOM 141 CA VAL X 12 29.147 -4.923 10.066 1.00 0.00 C ATOM 142 C VAL X 12 28.009 -4.566 11.010 1.00 0.00 C ATOM 143 O VAL X 12 27.671 -3.395 11.176 1.00 0.00 O ATOM 144 CB VAL X 12 28.581 -5.477 8.758 1.00 0.00 C ATOM 145 CG1 VAL X 12 27.403 -4.617 8.300 1.00 0.00 C ATOM 146 CG2 VAL X 12 29.671 -5.428 7.683 1.00 0.00 C ATOM 0 H VAL X 12 30.122 -6.781 10.162 1.00 0.00 H new ATOM 0 HA VAL X 12 29.720 -4.019 9.859 1.00 0.00 H new ATOM 0 HB VAL X 12 28.247 -6.503 8.915 1.00 0.00 H new ATOM 0 HG11 VAL X 12 27.003 -5.015 7.368 1.00 0.00 H new ATOM 0 HG12 VAL X 12 26.625 -4.629 9.063 1.00 0.00 H new ATOM 0 HG13 VAL X 12 27.740 -3.593 8.142 1.00 0.00 H new ATOM 0 HG21 VAL X 12 29.276 -5.821 6.746 1.00 0.00 H new ATOM 0 HG22 VAL X 12 29.992 -4.397 7.537 1.00 0.00 H new ATOM 0 HG23 VAL X 12 30.522 -6.031 8.000 1.00 0.00 H new ATOM 156 N ASP X 13 27.420 -5.585 11.625 1.00 0.00 N ATOM 157 CA ASP X 13 26.316 -5.366 12.549 1.00 0.00 C ATOM 158 C ASP X 13 26.770 -4.513 13.727 1.00 0.00 C ATOM 159 O ASP X 13 26.086 -3.570 14.121 1.00 0.00 O ATOM 160 CB ASP X 13 25.796 -6.711 13.060 1.00 0.00 C ATOM 161 CG ASP X 13 24.554 -6.506 13.922 1.00 0.00 C ATOM 162 OD1 ASP X 13 24.216 -5.361 14.181 1.00 0.00 O ATOM 163 OD2 ASP X 13 23.957 -7.495 14.311 1.00 0.00 O ATOM 0 H ASP X 13 27.686 -6.562 11.502 1.00 0.00 H new ATOM 0 HA ASP X 13 25.518 -4.843 12.022 1.00 0.00 H new ATOM 0 HB2 ASP X 13 25.559 -7.361 12.218 1.00 0.00 H new ATOM 0 HB3 ASP X 13 26.571 -7.211 13.640 1.00 0.00 H new ATOM 168 N ALA X 14 27.928 -4.848 14.288 1.00 0.00 N ATOM 169 CA ALA X 14 28.452 -4.101 15.423 1.00 0.00 C ATOM 170 C ALA X 14 28.719 -2.652 15.035 1.00 0.00 C ATOM 171 O ALA X 14 28.421 -1.733 15.798 1.00 0.00 O ATOM 172 CB ALA X 14 29.745 -4.746 15.922 1.00 0.00 C ATOM 0 H ALA X 14 28.515 -5.623 13.979 1.00 0.00 H new ATOM 0 HA ALA X 14 27.708 -4.119 16.219 1.00 0.00 H new ATOM 0 HB1 ALA X 14 30.130 -4.181 16.771 1.00 0.00 H new ATOM 0 HB2 ALA X 14 29.544 -5.772 16.230 1.00 0.00 H new ATOM 0 HB3 ALA X 14 30.484 -4.746 15.121 1.00 0.00 H new ATOM 178 N LEU X 15 29.282 -2.453 13.846 1.00 0.00 N ATOM 179 CA LEU X 15 29.578 -1.109 13.371 1.00 0.00 C ATOM 180 C LEU X 15 28.293 -0.307 13.195 1.00 0.00 C ATOM 181 O LEU X 15 28.224 0.862 13.576 1.00 0.00 O ATOM 182 CB LEU X 15 30.324 -1.183 12.037 1.00 0.00 C ATOM 183 CG LEU X 15 31.740 -1.717 12.264 1.00 0.00 C ATOM 184 CD1 LEU X 15 32.373 -2.071 10.918 1.00 0.00 C ATOM 185 CD2 LEU X 15 32.586 -0.636 12.944 1.00 0.00 C ATOM 0 H LEU X 15 29.540 -3.200 13.200 1.00 0.00 H new ATOM 0 HA LEU X 15 30.203 -0.610 14.111 1.00 0.00 H new ATOM 0 HB2 LEU X 15 29.787 -1.832 11.345 1.00 0.00 H new ATOM 0 HB3 LEU X 15 30.367 -0.195 11.579 1.00 0.00 H new ATOM 0 HG LEU X 15 31.696 -2.605 12.895 1.00 0.00 H new ATOM 0 HD11 LEU X 15 33.382 -2.451 11.079 1.00 0.00 H new ATOM 0 HD12 LEU X 15 31.772 -2.834 10.423 1.00 0.00 H new ATOM 0 HD13 LEU X 15 32.417 -1.180 10.291 1.00 0.00 H new ATOM 0 HD21 LEU X 15 33.596 -1.013 13.107 1.00 0.00 H new ATOM 0 HD22 LEU X 15 32.627 0.248 12.307 1.00 0.00 H new ATOM 0 HD23 LEU X 15 32.138 -0.372 13.902 1.00 0.00 H new ATOM 197 N GLN X 16 27.274 -0.949 12.632 1.00 0.00 N ATOM 198 CA GLN X 16 25.992 -0.288 12.427 1.00 0.00 C ATOM 199 C GLN X 16 25.346 0.037 13.766 1.00 0.00 C ATOM 200 O GLN X 16 24.774 1.106 13.943 1.00 0.00 O ATOM 201 CB GLN X 16 25.062 -1.187 11.608 1.00 0.00 C ATOM 202 CG GLN X 16 25.586 -1.295 10.172 1.00 0.00 C ATOM 203 CD GLN X 16 25.403 0.036 9.450 1.00 0.00 C ATOM 204 OE1 GLN X 16 24.607 0.872 9.879 1.00 0.00 O ATOM 205 NE2 GLN X 16 26.089 0.283 8.368 1.00 0.00 N ATOM 0 H GLN X 16 27.311 -1.917 12.313 1.00 0.00 H new ATOM 0 HA GLN X 16 26.163 0.640 11.882 1.00 0.00 H new ATOM 0 HB2 GLN X 16 25.005 -2.177 12.061 1.00 0.00 H new ATOM 0 HB3 GLN X 16 24.052 -0.778 11.608 1.00 0.00 H new ATOM 0 HG2 GLN X 16 26.640 -1.572 10.180 1.00 0.00 H new ATOM 0 HG3 GLN X 16 25.054 -2.083 9.640 1.00 0.00 H new ATOM 0 HE21 GLN X 16 26.748 -0.410 8.013 1.00 0.00 H new ATOM 0 HE22 GLN X 16 25.966 1.169 7.877 1.00 0.00 H new ATOM 214 N PHE X 17 25.446 -0.893 14.709 1.00 0.00 N ATOM 215 CA PHE X 17 24.880 -0.686 16.037 1.00 0.00 C ATOM 216 C PHE X 17 25.540 0.487 16.753 1.00 0.00 C ATOM 217 O PHE X 17 24.861 1.369 17.278 1.00 0.00 O ATOM 218 CB PHE X 17 25.064 -1.946 16.877 1.00 0.00 C ATOM 219 CG PHE X 17 24.754 -1.637 18.323 1.00 0.00 C ATOM 220 CD1 PHE X 17 23.429 -1.627 18.778 1.00 0.00 C ATOM 221 CD2 PHE X 17 25.801 -1.355 19.212 1.00 0.00 C ATOM 222 CE1 PHE X 17 23.152 -1.338 20.122 1.00 0.00 C ATOM 223 CE2 PHE X 17 25.524 -1.067 20.553 1.00 0.00 C ATOM 224 CZ PHE X 17 24.201 -1.060 21.009 1.00 0.00 C ATOM 0 H PHE X 17 25.910 -1.792 14.580 1.00 0.00 H new ATOM 0 HA PHE X 17 23.820 -0.463 15.914 1.00 0.00 H new ATOM 0 HB2 PHE X 17 24.408 -2.737 16.514 1.00 0.00 H new ATOM 0 HB3 PHE X 17 26.086 -2.312 16.783 1.00 0.00 H new ATOM 0 HD1 PHE X 17 22.621 -1.842 18.094 1.00 0.00 H new ATOM 0 HD2 PHE X 17 26.822 -1.360 18.861 1.00 0.00 H new ATOM 0 HE1 PHE X 17 22.131 -1.330 20.473 1.00 0.00 H new ATOM 0 HE2 PHE X 17 26.332 -0.850 21.236 1.00 0.00 H new ATOM 0 HZ PHE X 17 23.988 -0.840 22.045 1.00 0.00 H new ATOM 234 N VAL X 18 26.868 0.478 16.789 1.00 0.00 N ATOM 235 CA VAL X 18 27.608 1.532 17.474 1.00 0.00 C ATOM 236 C VAL X 18 27.422 2.881 16.781 1.00 0.00 C ATOM 237 O VAL X 18 27.132 3.886 17.428 1.00 0.00 O ATOM 238 CB VAL X 18 29.097 1.180 17.504 1.00 0.00 C ATOM 239 CG1 VAL X 18 29.882 2.340 18.110 1.00 0.00 C ATOM 240 CG2 VAL X 18 29.312 -0.081 18.343 1.00 0.00 C ATOM 0 H VAL X 18 27.450 -0.240 16.357 1.00 0.00 H new ATOM 0 HA VAL X 18 27.221 1.610 18.490 1.00 0.00 H new ATOM 0 HB VAL X 18 29.446 0.998 16.488 1.00 0.00 H new ATOM 0 HG11 VAL X 18 30.943 2.090 18.132 1.00 0.00 H new ATOM 0 HG12 VAL X 18 29.733 3.235 17.506 1.00 0.00 H new ATOM 0 HG13 VAL X 18 29.532 2.525 19.126 1.00 0.00 H new ATOM 0 HG21 VAL X 18 30.373 -0.329 18.362 1.00 0.00 H new ATOM 0 HG22 VAL X 18 28.962 0.095 19.360 1.00 0.00 H new ATOM 0 HG23 VAL X 18 28.754 -0.909 17.905 1.00 0.00 H new ATOM 250 N CYS X 19 27.602 2.893 15.467 1.00 0.00 N ATOM 251 CA CYS X 19 27.467 4.123 14.693 1.00 0.00 C ATOM 252 C CYS X 19 26.009 4.590 14.693 1.00 0.00 C ATOM 253 O CYS X 19 25.719 5.783 14.783 1.00 0.00 O ATOM 254 CB CYS X 19 27.924 3.873 13.251 1.00 0.00 C ATOM 255 SG CYS X 19 29.690 3.433 13.192 1.00 0.00 S ATOM 0 H CYS X 19 27.841 2.069 14.915 1.00 0.00 H new ATOM 0 HA CYS X 19 28.087 4.897 15.146 1.00 0.00 H new ATOM 0 HB2 CYS X 19 27.331 3.071 12.812 1.00 0.00 H new ATOM 0 HB3 CYS X 19 27.748 4.765 12.650 1.00 0.00 H new ATOM 260 N GLY X 20 25.097 3.636 14.589 1.00 0.00 N ATOM 261 CA GLY X 20 23.676 3.949 14.570 1.00 0.00 C ATOM 262 C GLY X 20 23.333 4.842 13.384 1.00 0.00 C ATOM 263 O GLY X 20 23.738 4.572 12.253 1.00 0.00 O ATOM 0 H GLY X 20 25.314 2.642 14.517 1.00 0.00 H new ATOM 0 HA2 GLY X 20 23.097 3.027 14.516 1.00 0.00 H new ATOM 0 HA3 GLY X 20 23.397 4.447 15.498 1.00 0.00 H new ATOM 267 N ASP X 21 22.589 5.908 13.653 1.00 0.00 N ATOM 268 CA ASP X 21 22.188 6.838 12.604 1.00 0.00 C ATOM 269 C ASP X 21 23.415 7.415 11.908 1.00 0.00 C ATOM 270 O ASP X 21 23.384 7.693 10.709 1.00 0.00 O ATOM 271 CB ASP X 21 21.350 7.975 13.197 1.00 0.00 C ATOM 272 CG ASP X 21 20.746 8.818 12.077 1.00 0.00 C ATOM 273 OD1 ASP X 21 21.019 8.523 10.925 1.00 0.00 O ATOM 274 OD2 ASP X 21 20.019 9.747 12.388 1.00 0.00 O ATOM 0 H ASP X 21 22.252 6.150 14.585 1.00 0.00 H new ATOM 0 HA ASP X 21 21.589 6.295 11.873 1.00 0.00 H new ATOM 0 HB2 ASP X 21 20.557 7.565 13.823 1.00 0.00 H new ATOM 0 HB3 ASP X 21 21.972 8.600 13.838 1.00 0.00 H new ATOM 279 N ARG X 22 24.493 7.601 12.664 1.00 0.00 N ATOM 280 CA ARG X 22 25.715 8.157 12.097 1.00 0.00 C ATOM 281 C ARG X 22 26.265 7.237 11.010 1.00 0.00 C ATOM 282 O ARG X 22 26.755 7.702 9.982 1.00 0.00 O ATOM 283 CB ARG X 22 26.764 8.333 13.195 1.00 0.00 C ATOM 284 CG ARG X 22 26.321 9.446 14.146 1.00 0.00 C ATOM 285 CD ARG X 22 27.456 9.778 15.112 1.00 0.00 C ATOM 286 NE ARG X 22 27.729 8.628 15.970 1.00 0.00 N ATOM 287 CZ ARG X 22 27.015 8.386 17.073 1.00 0.00 C ATOM 288 NH1 ARG X 22 26.023 9.167 17.418 1.00 0.00 N ATOM 289 NH2 ARG X 22 27.302 7.351 17.812 1.00 0.00 N ATOM 0 H ARG X 22 24.545 7.378 13.658 1.00 0.00 H new ATOM 0 HA ARG X 22 25.483 9.126 11.656 1.00 0.00 H new ATOM 0 HB2 ARG X 22 26.892 7.400 13.744 1.00 0.00 H new ATOM 0 HB3 ARG X 22 27.730 8.579 12.754 1.00 0.00 H new ATOM 0 HG2 ARG X 22 26.042 10.334 13.578 1.00 0.00 H new ATOM 0 HG3 ARG X 22 25.437 9.133 14.702 1.00 0.00 H new ATOM 0 HD2 ARG X 22 28.353 10.048 14.554 1.00 0.00 H new ATOM 0 HD3 ARG X 22 27.187 10.641 15.721 1.00 0.00 H new ATOM 0 HE ARG X 22 28.486 7.992 15.720 1.00 0.00 H new ATOM 0 HH11 ARG X 22 25.785 9.974 16.842 1.00 0.00 H new ATOM 0 HH12 ARG X 22 25.488 8.968 18.263 1.00 0.00 H new ATOM 0 HH21 ARG X 22 28.068 6.732 17.547 1.00 0.00 H new ATOM 0 HH22 ARG X 22 26.761 7.161 18.655 1.00 0.00 H new ATOM 303 N GLY X 23 26.184 5.932 11.246 1.00 0.00 N ATOM 304 CA GLY X 23 26.680 4.959 10.280 1.00 0.00 C ATOM 305 C GLY X 23 28.193 5.081 10.116 1.00 0.00 C ATOM 306 O GLY X 23 28.859 5.756 10.900 1.00 0.00 O ATOM 0 H GLY X 23 25.783 5.526 12.091 1.00 0.00 H new ATOM 0 HA2 GLY X 23 26.425 3.951 10.608 1.00 0.00 H new ATOM 0 HA3 GLY X 23 26.192 5.114 9.318 1.00 0.00 H new ATOM 310 N PHE X 24 28.727 4.435 9.083 1.00 0.00 N ATOM 311 CA PHE X 24 30.162 4.488 8.815 1.00 0.00 C ATOM 312 C PHE X 24 30.441 4.211 7.342 1.00 0.00 C ATOM 313 O PHE X 24 29.610 3.636 6.639 1.00 0.00 O ATOM 314 CB PHE X 24 30.895 3.468 9.690 1.00 0.00 C ATOM 315 CG PHE X 24 30.406 2.080 9.363 1.00 0.00 C ATOM 316 CD1 PHE X 24 31.130 1.271 8.479 1.00 0.00 C ATOM 317 CD2 PHE X 24 29.224 1.608 9.938 1.00 0.00 C ATOM 318 CE1 PHE X 24 30.667 -0.013 8.173 1.00 0.00 C ATOM 319 CE2 PHE X 24 28.762 0.324 9.632 1.00 0.00 C ATOM 320 CZ PHE X 24 29.483 -0.485 8.749 1.00 0.00 C ATOM 0 H PHE X 24 28.192 3.872 8.421 1.00 0.00 H new ATOM 0 HA PHE X 24 30.524 5.488 9.054 1.00 0.00 H new ATOM 0 HB2 PHE X 24 31.970 3.535 9.522 1.00 0.00 H new ATOM 0 HB3 PHE X 24 30.723 3.687 10.744 1.00 0.00 H new ATOM 0 HD1 PHE X 24 32.044 1.637 8.035 1.00 0.00 H new ATOM 0 HD2 PHE X 24 28.667 2.234 10.619 1.00 0.00 H new ATOM 0 HE1 PHE X 24 31.224 -0.640 7.492 1.00 0.00 H new ATOM 0 HE2 PHE X 24 27.849 -0.042 10.078 1.00 0.00 H new ATOM 0 HZ PHE X 24 29.125 -1.476 8.511 1.00 0.00 H new ATOM 330 N TYR X 25 31.617 4.622 6.878 1.00 0.00 N ATOM 331 CA TYR X 25 31.991 4.411 5.485 1.00 0.00 C ATOM 332 C TYR X 25 33.508 4.341 5.345 1.00 0.00 C ATOM 333 O TYR X 25 34.243 4.752 6.242 1.00 0.00 O ATOM 334 CB TYR X 25 31.451 5.548 4.615 1.00 0.00 C ATOM 335 CG TYR X 25 32.167 6.833 4.961 1.00 0.00 C ATOM 336 CD1 TYR X 25 33.329 7.191 4.267 1.00 0.00 C ATOM 337 CD2 TYR X 25 31.670 7.667 5.974 1.00 0.00 C ATOM 338 CE1 TYR X 25 33.995 8.381 4.583 1.00 0.00 C ATOM 339 CE2 TYR X 25 32.338 8.856 6.289 1.00 0.00 C ATOM 340 CZ TYR X 25 33.500 9.212 5.594 1.00 0.00 C ATOM 341 OH TYR X 25 34.157 10.385 5.904 1.00 0.00 O ATOM 0 H TYR X 25 32.321 5.099 7.441 1.00 0.00 H new ATOM 0 HA TYR X 25 31.559 3.467 5.154 1.00 0.00 H new ATOM 0 HB2 TYR X 25 31.594 5.312 3.560 1.00 0.00 H new ATOM 0 HB3 TYR X 25 30.379 5.663 4.773 1.00 0.00 H new ATOM 0 HD1 TYR X 25 33.712 6.549 3.488 1.00 0.00 H new ATOM 0 HD2 TYR X 25 30.774 7.392 6.510 1.00 0.00 H new ATOM 0 HE1 TYR X 25 34.891 8.658 4.047 1.00 0.00 H new ATOM 0 HE2 TYR X 25 31.957 9.499 7.069 1.00 0.00 H new ATOM 0 HH TYR X 25 33.682 10.845 6.627 1.00 0.00 H new ATOM 351 N PHE X 26 33.972 3.820 4.213 1.00 0.00 N ATOM 352 CA PHE X 26 35.404 3.706 3.969 1.00 0.00 C ATOM 353 C PHE X 26 35.776 4.373 2.648 1.00 0.00 C ATOM 354 O PHE X 26 35.023 4.308 1.676 1.00 0.00 O ATOM 355 CB PHE X 26 35.811 2.233 3.927 1.00 0.00 C ATOM 356 CG PHE X 26 35.513 1.591 5.261 1.00 0.00 C ATOM 357 CD1 PHE X 26 34.282 0.959 5.472 1.00 0.00 C ATOM 358 CD2 PHE X 26 36.467 1.627 6.285 1.00 0.00 C ATOM 359 CE1 PHE X 26 34.004 0.363 6.709 1.00 0.00 C ATOM 360 CE2 PHE X 26 36.190 1.030 7.521 1.00 0.00 C ATOM 361 CZ PHE X 26 34.959 0.399 7.732 1.00 0.00 C ATOM 0 H PHE X 26 33.382 3.473 3.457 1.00 0.00 H new ATOM 0 HA PHE X 26 35.932 4.207 4.780 1.00 0.00 H new ATOM 0 HB2 PHE X 26 35.269 1.717 3.134 1.00 0.00 H new ATOM 0 HB3 PHE X 26 36.873 2.144 3.698 1.00 0.00 H new ATOM 0 HD1 PHE X 26 33.547 0.931 4.681 1.00 0.00 H new ATOM 0 HD2 PHE X 26 37.416 2.115 6.122 1.00 0.00 H new ATOM 0 HE1 PHE X 26 33.054 -0.124 6.873 1.00 0.00 H new ATOM 0 HE2 PHE X 26 36.926 1.057 8.311 1.00 0.00 H new ATOM 0 HZ PHE X 26 34.745 -0.061 8.686 1.00 0.00 H new ATOM 371 N ASN X 27 36.940 5.011 2.622 1.00 0.00 N ATOM 372 CA ASN X 27 37.404 5.684 1.413 1.00 0.00 C ATOM 373 C ASN X 27 38.097 4.697 0.475 1.00 0.00 C ATOM 374 O ASN X 27 38.239 3.517 0.794 1.00 0.00 O ATOM 375 CB ASN X 27 38.367 6.813 1.788 1.00 0.00 C ATOM 376 CG ASN X 27 39.579 6.246 2.524 1.00 0.00 C ATOM 377 OD1 ASN X 27 39.725 5.030 2.640 1.00 0.00 O ATOM 378 ND2 ASN X 27 40.463 7.062 3.030 1.00 0.00 N ATOM 0 H ASN X 27 37.576 5.077 3.417 1.00 0.00 H new ATOM 0 HA ASN X 27 36.541 6.101 0.894 1.00 0.00 H new ATOM 0 HB2 ASN X 27 38.691 7.339 0.890 1.00 0.00 H new ATOM 0 HB3 ASN X 27 37.857 7.542 2.418 1.00 0.00 H new ATOM 0 HD21 ASN X 27 41.276 6.692 3.522 1.00 0.00 H new ATOM 0 HD22 ASN X 27 40.341 8.070 2.933 1.00 0.00 H new ATOM 385 N LYS X 28 38.526 5.192 -0.681 1.00 0.00 N ATOM 386 CA LYS X 28 39.202 4.348 -1.662 1.00 0.00 C ATOM 387 C LYS X 28 40.420 5.060 -2.248 1.00 0.00 C ATOM 388 O LYS X 28 40.420 5.454 -3.414 1.00 0.00 O ATOM 389 CB LYS X 28 38.233 3.973 -2.785 1.00 0.00 C ATOM 390 CG LYS X 28 37.486 5.221 -3.261 1.00 0.00 C ATOM 391 CD LYS X 28 36.554 4.848 -4.414 1.00 0.00 C ATOM 392 CE LYS X 28 35.803 6.094 -4.882 1.00 0.00 C ATOM 393 NZ LYS X 28 34.902 5.736 -6.012 1.00 0.00 N ATOM 0 H LYS X 28 38.419 6.167 -0.961 1.00 0.00 H new ATOM 0 HA LYS X 28 39.541 3.443 -1.157 1.00 0.00 H new ATOM 0 HB2 LYS X 28 38.779 3.526 -3.615 1.00 0.00 H new ATOM 0 HB3 LYS X 28 37.523 3.225 -2.431 1.00 0.00 H new ATOM 0 HG2 LYS X 28 36.912 5.650 -2.440 1.00 0.00 H new ATOM 0 HG3 LYS X 28 38.196 5.982 -3.585 1.00 0.00 H new ATOM 0 HD2 LYS X 28 37.128 4.425 -5.238 1.00 0.00 H new ATOM 0 HD3 LYS X 28 35.847 4.083 -4.092 1.00 0.00 H new ATOM 0 HE2 LYS X 28 35.223 6.513 -4.059 1.00 0.00 H new ATOM 0 HE3 LYS X 28 36.510 6.861 -5.196 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 34.391 6.584 -6.331 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 35.466 5.356 -6.799 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 34.219 5.018 -5.697 1.00 0.00 H new ATOM 407 N PRO X 29 41.445 5.229 -1.463 1.00 0.00 N ATOM 408 CA PRO X 29 42.697 5.911 -1.902 1.00 0.00 C ATOM 409 C PRO X 29 43.468 5.088 -2.930 1.00 0.00 C ATOM 410 O PRO X 29 44.253 5.629 -3.710 1.00 0.00 O ATOM 411 CB PRO X 29 43.497 6.071 -0.609 1.00 0.00 C ATOM 412 CG PRO X 29 42.992 5.007 0.304 1.00 0.00 C ATOM 413 CD PRO X 29 41.527 4.779 -0.066 1.00 0.00 C ATOM 0 HA PRO X 29 42.496 6.860 -2.398 1.00 0.00 H new ATOM 0 HB2 PRO X 29 44.566 5.957 -0.792 1.00 0.00 H new ATOM 0 HB3 PRO X 29 43.351 7.061 -0.177 1.00 0.00 H new ATOM 0 HG2 PRO X 29 43.569 4.090 0.188 1.00 0.00 H new ATOM 0 HG3 PRO X 29 43.086 5.313 1.346 1.00 0.00 H new ATOM 0 HD2 PRO X 29 41.248 3.730 0.034 1.00 0.00 H new ATOM 0 HD3 PRO X 29 40.858 5.350 0.578 1.00 0.00 H new ATOM 421 N THR X 30 43.240 3.779 -2.926 1.00 0.00 N ATOM 422 CA THR X 30 43.921 2.891 -3.861 1.00 0.00 C ATOM 423 C THR X 30 42.915 2.001 -4.585 1.00 0.00 C ATOM 424 O THR X 30 41.806 1.779 -4.099 1.00 0.00 O ATOM 425 CB THR X 30 44.933 2.023 -3.108 1.00 0.00 C ATOM 426 OG1 THR X 30 44.251 1.240 -2.138 1.00 0.00 O ATOM 427 CG2 THR X 30 45.963 2.917 -2.417 1.00 0.00 C ATOM 0 H THR X 30 42.593 3.312 -2.290 1.00 0.00 H new ATOM 0 HA THR X 30 44.443 3.498 -4.600 1.00 0.00 H new ATOM 0 HB THR X 30 45.444 1.366 -3.811 1.00 0.00 H new ATOM 0 HG1 THR X 30 44.896 0.682 -1.656 1.00 0.00 H new ATOM 0 HG21 THR X 30 46.682 2.297 -1.882 1.00 0.00 H new ATOM 0 HG22 THR X 30 46.485 3.515 -3.164 1.00 0.00 H new ATOM 0 HG23 THR X 30 45.457 3.577 -1.712 1.00 0.00 H new ATOM 435 N GLY X 31 43.313 1.487 -5.744 1.00 0.00 N ATOM 436 CA GLY X 31 42.444 0.613 -6.522 1.00 0.00 C ATOM 437 C GLY X 31 43.001 -0.805 -6.575 1.00 0.00 C ATOM 438 O GLY X 31 42.476 -1.658 -7.289 1.00 0.00 O ATOM 0 H GLY X 31 44.227 1.660 -6.163 1.00 0.00 H new ATOM 0 HA2 GLY X 31 41.447 0.600 -6.081 1.00 0.00 H new ATOM 0 HA3 GLY X 31 42.340 1.005 -7.534 1.00 0.00 H new ATOM 442 N TYR X 32 44.070 -1.052 -5.823 1.00 0.00 N ATOM 443 CA TYR X 32 44.682 -2.370 -5.806 1.00 0.00 C ATOM 444 C TYR X 32 43.730 -3.397 -5.205 1.00 0.00 C ATOM 445 O TYR X 32 43.681 -4.547 -5.641 1.00 0.00 O ATOM 446 CB TYR X 32 45.982 -2.333 -5.000 1.00 0.00 C ATOM 447 CG TYR X 32 47.047 -1.614 -5.794 1.00 0.00 C ATOM 448 CD1 TYR X 32 47.158 -0.220 -5.720 1.00 0.00 C ATOM 449 CD2 TYR X 32 47.925 -2.342 -6.606 1.00 0.00 C ATOM 450 CE1 TYR X 32 48.145 0.445 -6.458 1.00 0.00 C ATOM 451 CE2 TYR X 32 48.912 -1.678 -7.344 1.00 0.00 C ATOM 452 CZ TYR X 32 49.023 -0.284 -7.269 1.00 0.00 C ATOM 453 OH TYR X 32 49.996 0.370 -7.996 1.00 0.00 O ATOM 0 H TYR X 32 44.524 -0.362 -5.224 1.00 0.00 H new ATOM 0 HA TYR X 32 44.904 -2.660 -6.833 1.00 0.00 H new ATOM 0 HB2 TYR X 32 45.818 -1.826 -4.049 1.00 0.00 H new ATOM 0 HB3 TYR X 32 46.308 -3.347 -4.769 1.00 0.00 H new ATOM 0 HD1 TYR X 32 46.482 0.343 -5.093 1.00 0.00 H new ATOM 0 HD2 TYR X 32 47.841 -3.417 -6.663 1.00 0.00 H new ATOM 0 HE1 TYR X 32 48.229 1.520 -6.402 1.00 0.00 H new ATOM 0 HE2 TYR X 32 49.588 -2.241 -7.971 1.00 0.00 H new ATOM 0 HH TYR X 32 50.520 -0.284 -8.504 1.00 0.00 H new ATOM 463 N GLY X 33 42.980 -2.972 -4.194 1.00 0.00 N ATOM 464 CA GLY X 33 42.034 -3.859 -3.528 1.00 0.00 C ATOM 465 C GLY X 33 42.682 -4.562 -2.336 1.00 0.00 C ATOM 466 O GLY X 33 42.000 -5.218 -1.550 1.00 0.00 O ATOM 0 H GLY X 33 43.008 -2.024 -3.819 1.00 0.00 H new ATOM 0 HA2 GLY X 33 41.170 -3.286 -3.190 1.00 0.00 H new ATOM 0 HA3 GLY X 33 41.667 -4.602 -4.236 1.00 0.00 H new ATOM 470 N SER X 34 43.999 -4.419 -2.200 1.00 0.00 N ATOM 471 CA SER X 34 44.713 -5.044 -1.095 1.00 0.00 C ATOM 472 C SER X 34 46.054 -4.356 -0.869 1.00 0.00 C ATOM 473 O SER X 34 46.189 -3.518 0.024 1.00 0.00 O ATOM 474 CB SER X 34 44.934 -6.528 -1.393 1.00 0.00 C ATOM 475 OG SER X 34 45.511 -6.664 -2.685 1.00 0.00 O ATOM 0 H SER X 34 44.587 -3.880 -2.836 1.00 0.00 H new ATOM 0 HA SER X 34 44.113 -4.943 -0.191 1.00 0.00 H new ATOM 0 HB2 SER X 34 45.588 -6.969 -0.641 1.00 0.00 H new ATOM 0 HB3 SER X 34 43.987 -7.066 -1.346 1.00 0.00 H new ATOM 0 HG SER X 34 45.656 -7.613 -2.880 1.00 0.00 H new ATOM 481 N SER X 35 47.039 -4.710 -1.687 1.00 0.00 N ATOM 482 CA SER X 35 48.369 -4.120 -1.577 1.00 0.00 C ATOM 483 C SER X 35 48.844 -4.143 -0.128 1.00 0.00 C ATOM 484 O SER X 35 49.562 -3.247 0.316 1.00 0.00 O ATOM 485 CB SER X 35 48.344 -2.678 -2.086 1.00 0.00 C ATOM 486 OG SER X 35 49.674 -2.186 -2.165 1.00 0.00 O ATOM 0 H SER X 35 46.943 -5.400 -2.432 1.00 0.00 H new ATOM 0 HA SER X 35 49.059 -4.706 -2.184 1.00 0.00 H new ATOM 0 HB2 SER X 35 47.869 -2.634 -3.066 1.00 0.00 H new ATOM 0 HB3 SER X 35 47.752 -2.054 -1.416 1.00 0.00 H new ATOM 0 HG SER X 35 49.662 -1.262 -2.492 1.00 0.00 H new ATOM 492 N SER X 36 48.435 -5.174 0.605 1.00 0.00 N ATOM 493 CA SER X 36 48.822 -5.304 2.004 1.00 0.00 C ATOM 494 C SER X 36 50.330 -5.464 2.133 1.00 0.00 C ATOM 495 O SER X 36 50.940 -4.979 3.085 1.00 0.00 O ATOM 496 CB SER X 36 48.118 -6.506 2.633 1.00 0.00 C ATOM 497 OG SER X 36 48.522 -7.692 1.963 1.00 0.00 O ATOM 0 H SER X 36 47.840 -5.926 0.256 1.00 0.00 H new ATOM 0 HA SER X 36 48.523 -4.397 2.528 1.00 0.00 H new ATOM 0 HB2 SER X 36 48.364 -6.572 3.693 1.00 0.00 H new ATOM 0 HB3 SER X 36 47.037 -6.386 2.563 1.00 0.00 H new ATOM 0 HG SER X 36 48.073 -8.464 2.366 1.00 0.00 H new ATOM 503 N ARG X 37 50.919 -6.149 1.168 1.00 0.00 N ATOM 504 CA ARG X 37 52.360 -6.374 1.174 1.00 0.00 C ATOM 505 C ARG X 37 53.107 -5.046 1.120 1.00 0.00 C ATOM 506 O ARG X 37 54.065 -4.833 1.861 1.00 0.00 O ATOM 507 CB ARG X 37 52.764 -7.238 -0.021 1.00 0.00 C ATOM 508 CG ARG X 37 54.275 -7.468 0.008 1.00 0.00 C ATOM 509 CD ARG X 37 54.663 -8.462 -1.085 1.00 0.00 C ATOM 510 NE ARG X 37 54.168 -9.797 -0.764 1.00 0.00 N ATOM 511 CZ ARG X 37 54.334 -10.824 -1.600 1.00 0.00 C ATOM 512 NH1 ARG X 37 54.949 -10.663 -2.746 1.00 0.00 N ATOM 513 NH2 ARG X 37 53.882 -12.003 -1.274 1.00 0.00 N ATOM 0 H ARG X 37 50.428 -6.558 0.373 1.00 0.00 H new ATOM 0 HA ARG X 37 52.623 -6.891 2.097 1.00 0.00 H new ATOM 0 HB2 ARG X 37 52.239 -8.193 0.012 1.00 0.00 H new ATOM 0 HB3 ARG X 37 52.477 -6.748 -0.952 1.00 0.00 H new ATOM 0 HG2 ARG X 37 54.800 -6.524 -0.142 1.00 0.00 H new ATOM 0 HG3 ARG X 37 54.576 -7.849 0.984 1.00 0.00 H new ATOM 0 HD2 ARG X 37 54.254 -8.137 -2.042 1.00 0.00 H new ATOM 0 HD3 ARG X 37 55.747 -8.487 -1.194 1.00 0.00 H new ATOM 0 HE ARG X 37 53.683 -9.949 0.121 1.00 0.00 H new ATOM 0 HH11 ARG X 37 55.307 -9.745 -3.008 1.00 0.00 H new ATOM 0 HH12 ARG X 37 55.069 -11.456 -3.376 1.00 0.00 H new ATOM 0 HH21 ARG X 37 53.404 -12.137 -0.383 1.00 0.00 H new ATOM 0 HH22 ARG X 37 54.007 -12.791 -1.910 1.00 0.00 H new ATOM 527 N ARG X 38 52.664 -4.158 0.235 1.00 0.00 N ATOM 528 CA ARG X 38 53.296 -2.851 0.094 1.00 0.00 C ATOM 529 C ARG X 38 53.160 -2.044 1.382 1.00 0.00 C ATOM 530 O ARG X 38 54.116 -1.417 1.841 1.00 0.00 O ATOM 531 CB ARG X 38 52.654 -2.085 -1.062 1.00 0.00 C ATOM 532 CG ARG X 38 53.358 -0.739 -1.234 1.00 0.00 C ATOM 533 CD ARG X 38 52.733 0.019 -2.406 1.00 0.00 C ATOM 534 NE ARG X 38 53.399 1.304 -2.581 1.00 0.00 N ATOM 535 CZ ARG X 38 53.098 2.361 -1.824 1.00 0.00 C ATOM 536 NH1 ARG X 38 52.192 2.278 -0.882 1.00 0.00 N ATOM 537 NH2 ARG X 38 53.717 3.491 -2.019 1.00 0.00 N ATOM 0 H ARG X 38 51.875 -4.318 -0.391 1.00 0.00 H new ATOM 0 HA ARG X 38 54.355 -3.002 -0.113 1.00 0.00 H new ATOM 0 HB2 ARG X 38 52.726 -2.666 -1.982 1.00 0.00 H new ATOM 0 HB3 ARG X 38 51.593 -1.930 -0.865 1.00 0.00 H new ATOM 0 HG2 ARG X 38 53.271 -0.152 -0.320 1.00 0.00 H new ATOM 0 HG3 ARG X 38 54.422 -0.894 -1.413 1.00 0.00 H new ATOM 0 HD2 ARG X 38 52.818 -0.571 -3.318 1.00 0.00 H new ATOM 0 HD3 ARG X 38 51.669 0.173 -2.224 1.00 0.00 H new ATOM 0 HE ARG X 38 54.115 1.398 -3.302 1.00 0.00 H new ATOM 0 HH11 ARG X 38 51.705 1.397 -0.719 1.00 0.00 H new ATOM 0 HH12 ARG X 38 51.973 3.095 -0.312 1.00 0.00 H new ATOM 0 HH21 ARG X 38 54.427 3.564 -2.747 1.00 0.00 H new ATOM 0 HH22 ARG X 38 53.491 4.302 -1.443 1.00 0.00 H new ATOM 551 N ALA X 39 51.962 -2.063 1.959 1.00 0.00 N ATOM 552 CA ALA X 39 51.700 -1.328 3.194 1.00 0.00 C ATOM 553 C ALA X 39 51.041 -2.237 4.229 1.00 0.00 C ATOM 554 O ALA X 39 49.830 -2.168 4.445 1.00 0.00 O ATOM 555 CB ALA X 39 50.790 -0.131 2.910 1.00 0.00 C ATOM 0 H ALA X 39 51.160 -2.577 1.594 1.00 0.00 H new ATOM 0 HA ALA X 39 52.651 -0.973 3.591 1.00 0.00 H new ATOM 0 HB1 ALA X 39 50.601 0.410 3.837 1.00 0.00 H new ATOM 0 HB2 ALA X 39 51.275 0.533 2.195 1.00 0.00 H new ATOM 0 HB3 ALA X 39 49.845 -0.483 2.496 1.00 0.00 H new ATOM 561 N PRO X 40 51.811 -3.084 4.862 1.00 0.00 N ATOM 562 CA PRO X 40 51.298 -4.032 5.890 1.00 0.00 C ATOM 563 C PRO X 40 50.980 -3.336 7.211 1.00 0.00 C ATOM 564 O PRO X 40 51.589 -3.620 8.243 1.00 0.00 O ATOM 565 CB PRO X 40 52.440 -5.038 6.053 1.00 0.00 C ATOM 566 CG PRO X 40 53.679 -4.297 5.670 1.00 0.00 C ATOM 567 CD PRO X 40 53.262 -3.228 4.660 1.00 0.00 C ATOM 0 HA PRO X 40 50.358 -4.496 5.590 1.00 0.00 H new ATOM 0 HB2 PRO X 40 52.501 -5.401 7.079 1.00 0.00 H new ATOM 0 HB3 PRO X 40 52.290 -5.909 5.415 1.00 0.00 H new ATOM 0 HG2 PRO X 40 54.143 -3.842 6.545 1.00 0.00 H new ATOM 0 HG3 PRO X 40 54.415 -4.973 5.235 1.00 0.00 H new ATOM 0 HD2 PRO X 40 53.784 -2.288 4.838 1.00 0.00 H new ATOM 0 HD3 PRO X 40 53.493 -3.533 3.639 1.00 0.00 H new ATOM 575 N GLN X 41 50.013 -2.426 7.169 1.00 0.00 N ATOM 576 CA GLN X 41 49.605 -1.698 8.363 1.00 0.00 C ATOM 577 C GLN X 41 48.264 -2.215 8.883 1.00 0.00 C ATOM 578 O GLN X 41 47.607 -1.554 9.686 1.00 0.00 O ATOM 579 CB GLN X 41 49.500 -0.202 8.059 1.00 0.00 C ATOM 580 CG GLN X 41 50.864 0.326 7.606 1.00 0.00 C ATOM 581 CD GLN X 41 51.897 0.111 8.708 1.00 0.00 C ATOM 582 OE1 GLN X 41 51.706 0.565 9.837 1.00 0.00 O ATOM 583 NE2 GLN X 41 52.989 -0.555 8.447 1.00 0.00 N ATOM 0 H GLN X 41 49.499 -2.176 6.324 1.00 0.00 H new ATOM 0 HA GLN X 41 50.361 -1.856 9.132 1.00 0.00 H new ATOM 0 HB2 GLN X 41 48.755 -0.030 7.282 1.00 0.00 H new ATOM 0 HB3 GLN X 41 49.166 0.337 8.945 1.00 0.00 H new ATOM 0 HG2 GLN X 41 51.178 -0.186 6.696 1.00 0.00 H new ATOM 0 HG3 GLN X 41 50.791 1.387 7.366 1.00 0.00 H new ATOM 0 HE21 GLN X 41 53.146 -0.931 7.512 1.00 0.00 H new ATOM 0 HE22 GLN X 41 53.685 -0.700 9.178 1.00 0.00 H new ATOM 592 N THR X 42 47.861 -3.395 8.416 1.00 0.00 N ATOM 593 CA THR X 42 46.595 -3.981 8.842 1.00 0.00 C ATOM 594 C THR X 42 45.427 -3.106 8.391 1.00 0.00 C ATOM 595 O THR X 42 45.573 -2.284 7.488 1.00 0.00 O ATOM 596 CB THR X 42 46.572 -4.138 10.366 1.00 0.00 C ATOM 597 OG1 THR X 42 47.896 -4.046 10.875 1.00 0.00 O ATOM 598 CG2 THR X 42 45.979 -5.499 10.728 1.00 0.00 C ATOM 0 H THR X 42 48.388 -3.959 7.749 1.00 0.00 H new ATOM 0 HA THR X 42 46.495 -4.964 8.383 1.00 0.00 H new ATOM 0 HB THR X 42 45.962 -3.347 10.803 1.00 0.00 H new ATOM 0 HG1 THR X 42 47.879 -4.145 11.850 1.00 0.00 H new ATOM 0 HG21 THR X 42 45.962 -5.612 11.812 1.00 0.00 H new ATOM 0 HG22 THR X 42 44.963 -5.568 10.340 1.00 0.00 H new ATOM 0 HG23 THR X 42 46.589 -6.290 10.290 1.00 0.00 H new ATOM 606 N GLY X 43 44.270 -3.287 9.023 1.00 0.00 N ATOM 607 CA GLY X 43 43.090 -2.508 8.673 1.00 0.00 C ATOM 608 C GLY X 43 42.117 -2.462 9.843 1.00 0.00 C ATOM 609 O GLY X 43 42.265 -3.204 10.812 1.00 0.00 O ATOM 0 H GLY X 43 44.127 -3.962 9.774 1.00 0.00 H new ATOM 0 HA2 GLY X 43 43.384 -1.495 8.396 1.00 0.00 H new ATOM 0 HA3 GLY X 43 42.602 -2.947 7.803 1.00 0.00 H new ATOM 613 N ILE X 44 41.122 -1.593 9.746 1.00 0.00 N ATOM 614 CA ILE X 44 40.130 -1.461 10.800 1.00 0.00 C ATOM 615 C ILE X 44 39.371 -2.771 10.995 1.00 0.00 C ATOM 616 O ILE X 44 39.188 -3.231 12.123 1.00 0.00 O ATOM 617 CB ILE X 44 39.150 -0.344 10.444 1.00 0.00 C ATOM 618 CG1 ILE X 44 39.859 1.011 10.530 1.00 0.00 C ATOM 619 CG2 ILE X 44 37.971 -0.379 11.409 1.00 0.00 C ATOM 620 CD1 ILE X 44 38.974 2.095 9.909 1.00 0.00 C ATOM 0 H ILE X 44 40.981 -0.971 8.950 1.00 0.00 H new ATOM 0 HA ILE X 44 40.641 -1.217 11.731 1.00 0.00 H new ATOM 0 HB ILE X 44 38.785 -0.488 9.427 1.00 0.00 H new ATOM 0 HG12 ILE X 44 40.074 1.255 11.570 1.00 0.00 H new ATOM 0 HG13 ILE X 44 40.815 0.966 10.009 1.00 0.00 H new ATOM 0 HG21 ILE X 44 37.271 0.417 11.157 1.00 0.00 H new ATOM 0 HG22 ILE X 44 37.467 -1.343 11.333 1.00 0.00 H new ATOM 0 HG23 ILE X 44 38.331 -0.237 12.428 1.00 0.00 H new ATOM 0 HD11 ILE X 44 39.481 3.058 9.971 1.00 0.00 H new ATOM 0 HD12 ILE X 44 38.782 1.853 8.864 1.00 0.00 H new ATOM 0 HD13 ILE X 44 38.029 2.147 10.449 1.00 0.00 H new ATOM 632 N VAL X 45 38.940 -3.369 9.888 1.00 0.00 N ATOM 633 CA VAL X 45 38.212 -4.631 9.948 1.00 0.00 C ATOM 634 C VAL X 45 39.083 -5.725 10.544 1.00 0.00 C ATOM 635 O VAL X 45 38.645 -6.472 11.416 1.00 0.00 O ATOM 636 CB VAL X 45 37.763 -5.045 8.548 1.00 0.00 C ATOM 637 CG1 VAL X 45 37.248 -6.487 8.583 1.00 0.00 C ATOM 638 CG2 VAL X 45 36.638 -4.114 8.089 1.00 0.00 C ATOM 0 H VAL X 45 39.081 -3.003 8.946 1.00 0.00 H new ATOM 0 HA VAL X 45 37.338 -4.490 10.583 1.00 0.00 H new ATOM 0 HB VAL X 45 38.603 -4.978 7.857 1.00 0.00 H new ATOM 0 HG11 VAL X 45 36.927 -6.783 7.584 1.00 0.00 H new ATOM 0 HG12 VAL X 45 38.045 -7.150 8.920 1.00 0.00 H new ATOM 0 HG13 VAL X 45 36.405 -6.556 9.270 1.00 0.00 H new ATOM 0 HG21 VAL X 45 36.312 -4.403 7.090 1.00 0.00 H new ATOM 0 HG22 VAL X 45 35.799 -4.189 8.781 1.00 0.00 H new ATOM 0 HG23 VAL X 45 37.001 -3.087 8.069 1.00 0.00 H new ATOM 648 N ASP X 46 40.317 -5.806 10.068 1.00 0.00 N ATOM 649 CA ASP X 46 41.249 -6.806 10.563 1.00 0.00 C ATOM 650 C ASP X 46 41.546 -6.583 12.039 1.00 0.00 C ATOM 651 O ASP X 46 41.708 -7.538 12.788 1.00 0.00 O ATOM 652 CB ASP X 46 42.554 -6.762 9.767 1.00 0.00 C ATOM 653 CG ASP X 46 42.331 -7.314 8.364 1.00 0.00 C ATOM 654 OD1 ASP X 46 41.299 -7.928 8.147 1.00 0.00 O ATOM 655 OD2 ASP X 46 43.194 -7.115 7.527 1.00 0.00 O ATOM 0 H ASP X 46 40.694 -5.195 9.344 1.00 0.00 H new ATOM 0 HA ASP X 46 40.787 -7.785 10.440 1.00 0.00 H new ATOM 0 HB2 ASP X 46 42.919 -5.737 9.709 1.00 0.00 H new ATOM 0 HB3 ASP X 46 43.320 -7.345 10.278 1.00 0.00 H new ATOM 660 N GLU X 47 41.648 -5.324 12.451 1.00 0.00 N ATOM 661 CA GLU X 47 41.964 -5.031 13.843 1.00 0.00 C ATOM 662 C GLU X 47 40.897 -5.589 14.782 1.00 0.00 C ATOM 663 O GLU X 47 41.216 -6.306 15.729 1.00 0.00 O ATOM 664 CB GLU X 47 42.039 -3.514 14.020 1.00 0.00 C ATOM 665 CG GLU X 47 42.389 -3.176 15.468 1.00 0.00 C ATOM 666 CD GLU X 47 42.550 -1.668 15.627 1.00 0.00 C ATOM 667 OE1 GLU X 47 42.349 -0.966 14.650 1.00 0.00 O ATOM 668 OE2 GLU X 47 42.877 -1.240 16.720 1.00 0.00 O ATOM 0 H GLU X 47 41.520 -4.506 11.855 1.00 0.00 H new ATOM 0 HA GLU X 47 42.917 -5.499 14.090 1.00 0.00 H new ATOM 0 HB2 GLU X 47 42.790 -3.098 13.349 1.00 0.00 H new ATOM 0 HB3 GLU X 47 41.085 -3.060 13.752 1.00 0.00 H new ATOM 0 HG2 GLU X 47 41.606 -3.539 16.134 1.00 0.00 H new ATOM 0 HG3 GLU X 47 43.311 -3.681 15.755 1.00 0.00 H new ATOM 675 N CYS X 48 39.633 -5.269 14.513 1.00 0.00 N ATOM 676 CA CYS X 48 38.543 -5.760 15.352 1.00 0.00 C ATOM 677 C CYS X 48 38.319 -7.251 15.136 1.00 0.00 C ATOM 678 O CYS X 48 38.048 -7.994 16.078 1.00 0.00 O ATOM 679 CB CYS X 48 37.250 -5.005 15.045 1.00 0.00 C ATOM 680 SG CYS X 48 37.422 -3.294 15.604 1.00 0.00 S ATOM 0 H CYS X 48 39.341 -4.681 13.733 1.00 0.00 H new ATOM 0 HA CYS X 48 38.823 -5.591 16.392 1.00 0.00 H new ATOM 0 HB2 CYS X 48 37.043 -5.033 13.975 1.00 0.00 H new ATOM 0 HB3 CYS X 48 36.407 -5.482 15.546 1.00 0.00 H new ATOM 685 N CYS X 49 38.412 -7.673 13.879 1.00 0.00 N ATOM 686 CA CYS X 49 38.198 -9.073 13.527 1.00 0.00 C ATOM 687 C CYS X 49 39.209 -9.969 14.228 1.00 0.00 C ATOM 688 O CYS X 49 38.846 -10.992 14.805 1.00 0.00 O ATOM 689 CB CYS X 49 38.311 -9.256 12.008 1.00 0.00 C ATOM 690 SG CYS X 49 38.039 -10.997 11.568 1.00 0.00 S ATOM 0 H CYS X 49 38.634 -7.068 13.089 1.00 0.00 H new ATOM 0 HA CYS X 49 37.198 -9.357 13.853 1.00 0.00 H new ATOM 0 HB2 CYS X 49 37.579 -8.626 11.502 1.00 0.00 H new ATOM 0 HB3 CYS X 49 39.296 -8.936 11.667 1.00 0.00 H new ATOM 695 N PHE X 50 40.477 -9.585 14.173 1.00 0.00 N ATOM 696 CA PHE X 50 41.525 -10.376 14.805 1.00 0.00 C ATOM 697 C PHE X 50 41.708 -9.957 16.259 1.00 0.00 C ATOM 698 O PHE X 50 41.396 -10.713 17.179 1.00 0.00 O ATOM 699 CB PHE X 50 42.832 -10.180 14.036 1.00 0.00 C ATOM 700 CG PHE X 50 42.766 -10.940 12.733 1.00 0.00 C ATOM 701 CD1 PHE X 50 42.094 -10.379 11.640 1.00 0.00 C ATOM 702 CD2 PHE X 50 43.380 -12.192 12.611 1.00 0.00 C ATOM 703 CE1 PHE X 50 42.032 -11.068 10.426 1.00 0.00 C ATOM 704 CE2 PHE X 50 43.318 -12.884 11.395 1.00 0.00 C ATOM 705 CZ PHE X 50 42.644 -12.322 10.301 1.00 0.00 C ATOM 0 H PHE X 50 40.803 -8.740 13.703 1.00 0.00 H new ATOM 0 HA PHE X 50 41.241 -11.428 14.786 1.00 0.00 H new ATOM 0 HB2 PHE X 50 42.998 -9.120 13.843 1.00 0.00 H new ATOM 0 HB3 PHE X 50 43.674 -10.531 14.632 1.00 0.00 H new ATOM 0 HD1 PHE X 50 41.623 -9.412 11.736 1.00 0.00 H new ATOM 0 HD2 PHE X 50 43.901 -12.624 13.453 1.00 0.00 H new ATOM 0 HE1 PHE X 50 41.513 -10.634 9.584 1.00 0.00 H new ATOM 0 HE2 PHE X 50 43.789 -13.851 11.300 1.00 0.00 H new ATOM 0 HZ PHE X 50 42.597 -12.855 9.363 1.00 0.00 H new ATOM 715 N ARG X 51 42.208 -8.738 16.455 1.00 0.00 N ATOM 716 CA ARG X 51 42.425 -8.212 17.799 1.00 0.00 C ATOM 717 C ARG X 51 41.111 -7.726 18.401 1.00 0.00 C ATOM 718 O ARG X 51 40.153 -7.449 17.682 1.00 0.00 O ATOM 719 CB ARG X 51 43.428 -7.055 17.760 1.00 0.00 C ATOM 720 CG ARG X 51 44.813 -7.591 17.391 1.00 0.00 C ATOM 721 CD ARG X 51 45.851 -6.486 17.568 1.00 0.00 C ATOM 722 NE ARG X 51 45.573 -5.394 16.641 1.00 0.00 N ATOM 723 CZ ARG X 51 45.962 -5.437 15.365 1.00 0.00 C ATOM 724 NH1 ARG X 51 46.599 -6.478 14.889 1.00 0.00 N ATOM 725 NH2 ARG X 51 45.695 -4.433 14.574 1.00 0.00 N ATOM 0 H ARG X 51 42.469 -8.100 15.703 1.00 0.00 H new ATOM 0 HA ARG X 51 42.825 -9.014 18.419 1.00 0.00 H new ATOM 0 HB2 ARG X 51 43.110 -6.308 17.032 1.00 0.00 H new ATOM 0 HB3 ARG X 51 43.465 -6.559 18.730 1.00 0.00 H new ATOM 0 HG2 ARG X 51 45.064 -8.444 18.021 1.00 0.00 H new ATOM 0 HG3 ARG X 51 44.815 -7.944 16.360 1.00 0.00 H new ATOM 0 HD2 ARG X 51 45.833 -6.118 18.594 1.00 0.00 H new ATOM 0 HD3 ARG X 51 46.851 -6.882 17.389 1.00 0.00 H new ATOM 0 HE ARG X 51 45.067 -4.575 16.978 1.00 0.00 H new ATOM 0 HH11 ARG X 51 46.805 -7.272 15.496 1.00 0.00 H new ATOM 0 HH12 ARG X 51 46.889 -6.495 13.911 1.00 0.00 H new ATOM 0 HH21 ARG X 51 45.192 -3.621 14.932 1.00 0.00 H new ATOM 0 HH22 ARG X 51 45.990 -4.460 13.598 1.00 0.00 H new ATOM 739 N SER X 52 41.070 -7.624 19.724 1.00 0.00 N ATOM 740 CA SER X 52 39.863 -7.170 20.395 1.00 0.00 C ATOM 741 C SER X 52 39.878 -5.651 20.540 1.00 0.00 C ATOM 742 O SER X 52 40.378 -5.119 21.532 1.00 0.00 O ATOM 743 CB SER X 52 39.766 -7.815 21.776 1.00 0.00 C ATOM 744 OG SER X 52 38.604 -7.334 22.440 1.00 0.00 O ATOM 0 H SER X 52 41.848 -7.847 20.345 1.00 0.00 H new ATOM 0 HA SER X 52 38.999 -7.460 19.797 1.00 0.00 H new ATOM 0 HB2 SER X 52 39.721 -8.900 21.681 1.00 0.00 H new ATOM 0 HB3 SER X 52 40.656 -7.583 22.362 1.00 0.00 H new ATOM 0 HG SER X 52 38.539 -7.748 23.326 1.00 0.00 H new ATOM 750 N CYS X 53 39.328 -4.958 19.546 1.00 0.00 N ATOM 751 CA CYS X 53 39.286 -3.502 19.580 1.00 0.00 C ATOM 752 C CYS X 53 38.208 -3.020 20.546 1.00 0.00 C ATOM 753 O CYS X 53 37.148 -3.636 20.663 1.00 0.00 O ATOM 754 CB CYS X 53 39.017 -2.955 18.172 1.00 0.00 C ATOM 755 SG CYS X 53 37.358 -3.443 17.623 1.00 0.00 S ATOM 0 H CYS X 53 38.910 -5.378 18.716 1.00 0.00 H new ATOM 0 HA CYS X 53 40.251 -3.132 19.928 1.00 0.00 H new ATOM 0 HB2 CYS X 53 39.104 -1.868 18.172 1.00 0.00 H new ATOM 0 HB3 CYS X 53 39.765 -3.334 17.476 1.00 0.00 H new ATOM 760 N ASP X 54 38.484 -1.919 21.239 1.00 0.00 N ATOM 761 CA ASP X 54 37.528 -1.372 22.196 1.00 0.00 C ATOM 762 C ASP X 54 36.260 -0.906 21.490 1.00 0.00 C ATOM 763 O ASP X 54 36.317 -0.271 20.435 1.00 0.00 O ATOM 764 CB ASP X 54 38.162 -0.199 22.948 1.00 0.00 C ATOM 765 CG ASP X 54 39.220 -0.711 23.919 1.00 0.00 C ATOM 766 OD1 ASP X 54 39.231 -1.905 24.176 1.00 0.00 O ATOM 767 OD2 ASP X 54 40.005 0.095 24.388 1.00 0.00 O ATOM 0 H ASP X 54 39.354 -1.392 21.157 1.00 0.00 H new ATOM 0 HA ASP X 54 37.261 -2.157 22.903 1.00 0.00 H new ATOM 0 HB2 ASP X 54 38.613 0.496 22.240 1.00 0.00 H new ATOM 0 HB3 ASP X 54 37.395 0.352 23.491 1.00 0.00 H new ATOM 772 N LEU X 55 35.114 -1.219 22.082 1.00 0.00 N ATOM 773 CA LEU X 55 33.837 -0.824 21.499 1.00 0.00 C ATOM 774 C LEU X 55 33.721 0.694 21.447 1.00 0.00 C ATOM 775 O LEU X 55 33.235 1.255 20.465 1.00 0.00 O ATOM 776 CB LEU X 55 32.691 -1.400 22.333 1.00 0.00 C ATOM 777 CG LEU X 55 32.648 -2.921 22.165 1.00 0.00 C ATOM 778 CD1 LEU X 55 31.686 -3.519 23.194 1.00 0.00 C ATOM 779 CD2 LEU X 55 32.165 -3.272 20.751 1.00 0.00 C ATOM 0 H LEU X 55 35.042 -1.740 22.956 1.00 0.00 H new ATOM 0 HA LEU X 55 33.781 -1.214 20.483 1.00 0.00 H new ATOM 0 HB2 LEU X 55 32.828 -1.144 23.384 1.00 0.00 H new ATOM 0 HB3 LEU X 55 31.743 -0.962 22.019 1.00 0.00 H new ATOM 0 HG LEU X 55 33.647 -3.329 22.317 1.00 0.00 H new ATOM 0 HD11 LEU X 55 31.654 -4.602 23.076 1.00 0.00 H new ATOM 0 HD12 LEU X 55 32.030 -3.274 24.199 1.00 0.00 H new ATOM 0 HD13 LEU X 55 30.688 -3.108 23.041 1.00 0.00 H new ATOM 0 HD21 LEU X 55 32.136 -4.355 20.635 1.00 0.00 H new ATOM 0 HD22 LEU X 55 31.167 -2.863 20.596 1.00 0.00 H new ATOM 0 HD23 LEU X 55 32.849 -2.847 20.017 1.00 0.00 H new ATOM 791 N ARG X 56 34.169 1.356 22.509 1.00 0.00 N ATOM 792 CA ARG X 56 34.109 2.810 22.564 1.00 0.00 C ATOM 793 C ARG X 56 34.943 3.427 21.444 1.00 0.00 C ATOM 794 O ARG X 56 34.485 4.321 20.737 1.00 0.00 O ATOM 795 CB ARG X 56 34.615 3.302 23.919 1.00 0.00 C ATOM 796 CG ARG X 56 34.514 4.825 23.976 1.00 0.00 C ATOM 797 CD ARG X 56 34.795 5.299 25.402 1.00 0.00 C ATOM 798 NE ARG X 56 36.150 4.939 25.804 1.00 0.00 N ATOM 799 CZ ARG X 56 36.582 5.137 27.052 1.00 0.00 C ATOM 800 NH1 ARG X 56 35.798 5.669 27.955 1.00 0.00 N ATOM 801 NH2 ARG X 56 37.799 4.796 27.374 1.00 0.00 N ATOM 0 H ARG X 56 34.573 0.914 23.334 1.00 0.00 H new ATOM 0 HA ARG X 56 33.071 3.117 22.434 1.00 0.00 H new ATOM 0 HB2 ARG X 56 34.027 2.857 24.722 1.00 0.00 H new ATOM 0 HB3 ARG X 56 35.648 2.989 24.069 1.00 0.00 H new ATOM 0 HG2 ARG X 56 35.227 5.274 23.285 1.00 0.00 H new ATOM 0 HG3 ARG X 56 33.521 5.147 23.663 1.00 0.00 H new ATOM 0 HD2 ARG X 56 34.666 6.380 25.464 1.00 0.00 H new ATOM 0 HD3 ARG X 56 34.075 4.852 26.088 1.00 0.00 H new ATOM 0 HE ARG X 56 36.781 4.527 25.117 1.00 0.00 H new ATOM 0 HH11 ARG X 56 34.845 5.937 27.709 1.00 0.00 H new ATOM 0 HH12 ARG X 56 36.140 5.815 28.905 1.00 0.00 H new ATOM 0 HH21 ARG X 56 38.414 4.381 26.674 1.00 0.00 H new ATOM 0 HH22 ARG X 56 38.135 4.944 28.325 1.00 0.00 H new ATOM 815 N ARG X 57 36.166 2.931 21.278 1.00 0.00 N ATOM 816 CA ARG X 57 37.046 3.432 20.237 1.00 0.00 C ATOM 817 C ARG X 57 36.453 3.140 18.859 1.00 0.00 C ATOM 818 O ARG X 57 36.792 3.797 17.878 1.00 0.00 O ATOM 819 CB ARG X 57 38.416 2.786 20.364 1.00 0.00 C ATOM 820 CG ARG X 57 39.455 3.698 19.721 1.00 0.00 C ATOM 821 CD ARG X 57 40.825 3.056 19.865 1.00 0.00 C ATOM 822 NE ARG X 57 40.886 1.854 19.043 1.00 0.00 N ATOM 823 CZ ARG X 57 41.150 1.902 17.733 1.00 0.00 C ATOM 824 NH1 ARG X 57 41.354 3.044 17.127 1.00 0.00 N ATOM 825 NH2 ARG X 57 41.206 0.794 17.048 1.00 0.00 N ATOM 0 H ARG X 57 36.565 2.186 21.850 1.00 0.00 H new ATOM 0 HA ARG X 57 37.150 4.511 20.351 1.00 0.00 H new ATOM 0 HB2 ARG X 57 38.658 2.620 21.414 1.00 0.00 H new ATOM 0 HB3 ARG X 57 38.419 1.810 19.878 1.00 0.00 H new ATOM 0 HG2 ARG X 57 39.220 3.854 18.668 1.00 0.00 H new ATOM 0 HG3 ARG X 57 39.445 4.678 20.199 1.00 0.00 H new ATOM 0 HD2 ARG X 57 41.601 3.758 19.560 1.00 0.00 H new ATOM 0 HD3 ARG X 57 41.013 2.806 20.909 1.00 0.00 H new ATOM 0 HE ARG X 57 40.722 0.947 19.481 1.00 0.00 H new ATOM 0 HH11 ARG X 57 41.313 3.916 17.655 1.00 0.00 H new ATOM 0 HH12 ARG X 57 41.554 3.062 16.127 1.00 0.00 H new ATOM 0 HH21 ARG X 57 41.049 -0.101 17.512 1.00 0.00 H new ATOM 0 HH22 ARG X 57 41.407 0.822 16.048 1.00 0.00 H new ATOM 839 N LEU X 58 35.573 2.144 18.796 1.00 0.00 N ATOM 840 CA LEU X 58 34.940 1.768 17.538 1.00 0.00 C ATOM 841 C LEU X 58 34.246 2.975 16.905 1.00 0.00 C ATOM 842 O LEU X 58 34.052 3.020 15.691 1.00 0.00 O ATOM 843 CB LEU X 58 33.912 0.659 17.777 1.00 0.00 C ATOM 844 CG LEU X 58 33.738 -0.161 16.496 1.00 0.00 C ATOM 845 CD1 LEU X 58 34.903 -1.147 16.358 1.00 0.00 C ATOM 846 CD2 LEU X 58 32.416 -0.934 16.558 1.00 0.00 C ATOM 0 H LEU X 58 35.284 1.585 19.599 1.00 0.00 H new ATOM 0 HA LEU X 58 35.714 1.407 16.860 1.00 0.00 H new ATOM 0 HB2 LEU X 58 34.240 0.014 18.592 1.00 0.00 H new ATOM 0 HB3 LEU X 58 32.958 1.092 18.077 1.00 0.00 H new ATOM 0 HG LEU X 58 33.726 0.508 15.636 1.00 0.00 H new ATOM 0 HD11 LEU X 58 34.779 -1.731 15.446 1.00 0.00 H new ATOM 0 HD12 LEU X 58 35.842 -0.596 16.312 1.00 0.00 H new ATOM 0 HD13 LEU X 58 34.917 -1.816 17.218 1.00 0.00 H new ATOM 0 HD21 LEU X 58 32.293 -1.518 15.646 1.00 0.00 H new ATOM 0 HD22 LEU X 58 32.426 -1.603 17.418 1.00 0.00 H new ATOM 0 HD23 LEU X 58 31.588 -0.232 16.654 1.00 0.00 H new ATOM 858 N ASP X 59 33.875 3.947 17.734 1.00 0.00 N ATOM 859 CA ASP X 59 33.203 5.148 17.237 1.00 0.00 C ATOM 860 C ASP X 59 34.108 5.922 16.277 1.00 0.00 C ATOM 861 O ASP X 59 33.651 6.811 15.559 1.00 0.00 O ATOM 862 CB ASP X 59 32.812 6.052 18.409 1.00 0.00 C ATOM 863 CG ASP X 59 34.059 6.511 19.159 1.00 0.00 C ATOM 864 OD1 ASP X 59 35.133 6.027 18.841 1.00 0.00 O ATOM 865 OD2 ASP X 59 33.924 7.345 20.039 1.00 0.00 O ATOM 0 H ASP X 59 34.025 3.930 18.743 1.00 0.00 H new ATOM 0 HA ASP X 59 32.307 4.838 16.699 1.00 0.00 H new ATOM 0 HB2 ASP X 59 32.260 6.917 18.042 1.00 0.00 H new ATOM 0 HB3 ASP X 59 32.148 5.515 19.087 1.00 0.00 H new ATOM 870 N MET X 60 35.389 5.573 16.259 1.00 0.00 N ATOM 871 CA MET X 60 36.343 6.229 15.377 1.00 0.00 C ATOM 872 C MET X 60 35.972 5.991 13.918 1.00 0.00 C ATOM 873 O MET X 60 36.115 6.880 13.077 1.00 0.00 O ATOM 874 CB MET X 60 37.748 5.691 15.646 1.00 0.00 C ATOM 875 CG MET X 60 38.247 6.211 16.996 1.00 0.00 C ATOM 876 SD MET X 60 38.607 7.980 16.861 1.00 0.00 S ATOM 877 CE MET X 60 40.184 7.829 15.979 1.00 0.00 C ATOM 0 H MET X 60 35.789 4.840 16.845 1.00 0.00 H new ATOM 0 HA MET X 60 36.320 7.301 15.573 1.00 0.00 H new ATOM 0 HB2 MET X 60 37.737 4.601 15.646 1.00 0.00 H new ATOM 0 HB3 MET X 60 38.426 6.003 14.852 1.00 0.00 H new ATOM 0 HG2 MET X 60 37.494 6.039 17.765 1.00 0.00 H new ATOM 0 HG3 MET X 60 39.142 5.668 17.299 1.00 0.00 H new ATOM 0 HE1 MET X 60 40.945 8.417 16.492 1.00 0.00 H new ATOM 0 HE2 MET X 60 40.489 6.783 15.955 1.00 0.00 H new ATOM 0 HE3 MET X 60 40.067 8.196 14.959 1.00 0.00 H new ATOM 887 N TYR X 61 35.509 4.784 13.623 1.00 0.00 N ATOM 888 CA TYR X 61 35.133 4.433 12.258 1.00 0.00 C ATOM 889 C TYR X 61 33.767 5.020 11.909 1.00 0.00 C ATOM 890 O TYR X 61 33.422 5.148 10.734 1.00 0.00 O ATOM 891 CB TYR X 61 35.093 2.912 12.098 1.00 0.00 C ATOM 892 CG TYR X 61 36.235 2.293 12.871 1.00 0.00 C ATOM 893 CD1 TYR X 61 36.001 1.186 13.696 1.00 0.00 C ATOM 894 CD2 TYR X 61 37.524 2.830 12.768 1.00 0.00 C ATOM 895 CE1 TYR X 61 37.058 0.618 14.419 1.00 0.00 C ATOM 896 CE2 TYR X 61 38.580 2.261 13.491 1.00 0.00 C ATOM 897 CZ TYR X 61 38.347 1.155 14.317 1.00 0.00 C ATOM 898 OH TYR X 61 39.387 0.594 15.028 1.00 0.00 O ATOM 0 H TYR X 61 35.385 4.035 14.304 1.00 0.00 H new ATOM 0 HA TYR X 61 35.879 4.848 11.580 1.00 0.00 H new ATOM 0 HB2 TYR X 61 34.142 2.523 12.460 1.00 0.00 H new ATOM 0 HB3 TYR X 61 35.166 2.645 11.044 1.00 0.00 H new ATOM 0 HD1 TYR X 61 35.007 0.771 13.775 1.00 0.00 H new ATOM 0 HD2 TYR X 61 37.704 3.683 12.131 1.00 0.00 H new ATOM 0 HE1 TYR X 61 36.878 -0.235 15.056 1.00 0.00 H new ATOM 0 HE2 TYR X 61 39.574 2.676 13.411 1.00 0.00 H new ATOM 0 HH TYR X 61 40.143 0.430 14.427 1.00 0.00 H new ATOM 908 N CYS X 62 32.995 5.382 12.930 1.00 0.00 N ATOM 909 CA CYS X 62 31.676 5.958 12.708 1.00 0.00 C ATOM 910 C CYS X 62 31.803 7.332 12.061 1.00 0.00 C ATOM 911 O CYS X 62 32.853 7.970 12.136 1.00 0.00 O ATOM 912 CB CYS X 62 30.922 6.078 14.037 1.00 0.00 C ATOM 913 SG CYS X 62 30.583 4.431 14.708 1.00 0.00 S ATOM 0 H CYS X 62 33.259 5.287 13.911 1.00 0.00 H new ATOM 0 HA CYS X 62 31.118 5.302 12.040 1.00 0.00 H new ATOM 0 HB2 CYS X 62 31.512 6.655 14.749 1.00 0.00 H new ATOM 0 HB3 CYS X 62 29.987 6.618 13.887 1.00 0.00 H new ATOM 918 N ALA X 63 30.730 7.777 11.415 1.00 0.00 N ATOM 919 CA ALA X 63 30.728 9.064 10.747 1.00 0.00 C ATOM 920 C ALA X 63 30.833 10.194 11.767 1.00 0.00 C ATOM 921 O ALA X 63 30.609 9.994 12.960 1.00 0.00 O ATOM 922 CB ALA X 63 29.443 9.220 9.922 1.00 0.00 C ATOM 0 H ALA X 63 29.853 7.262 11.343 1.00 0.00 H new ATOM 0 HA ALA X 63 31.590 9.115 10.082 1.00 0.00 H new ATOM 0 HB1 ALA X 63 29.447 10.189 9.422 1.00 0.00 H new ATOM 0 HB2 ALA X 63 29.391 8.427 9.176 1.00 0.00 H new ATOM 0 HB3 ALA X 63 28.577 9.155 10.581 1.00 0.00 H new ATOM 928 N PRO X 64 31.174 11.366 11.313 1.00 0.00 N ATOM 929 CA PRO X 64 31.323 12.564 12.193 1.00 0.00 C ATOM 930 C PRO X 64 30.105 12.760 13.091 1.00 0.00 C ATOM 931 O PRO X 64 28.969 12.553 12.667 1.00 0.00 O ATOM 932 CB PRO X 64 31.445 13.720 11.199 1.00 0.00 C ATOM 933 CG PRO X 64 31.989 13.110 9.952 1.00 0.00 C ATOM 934 CD PRO X 64 31.459 11.678 9.907 1.00 0.00 C ATOM 0 HA PRO X 64 32.174 12.478 12.869 1.00 0.00 H new ATOM 0 HB2 PRO X 64 30.477 14.187 11.018 1.00 0.00 H new ATOM 0 HB3 PRO X 64 32.108 14.497 11.579 1.00 0.00 H new ATOM 0 HG2 PRO X 64 31.669 13.671 9.074 1.00 0.00 H new ATOM 0 HG3 PRO X 64 33.079 13.121 9.958 1.00 0.00 H new ATOM 0 HD2 PRO X 64 30.563 11.602 9.291 1.00 0.00 H new ATOM 0 HD3 PRO X 64 32.194 10.992 9.486 1.00 0.00 H new ATOM 942 N LEU X 65 30.355 13.147 14.336 1.00 0.00 N ATOM 943 CA LEU X 65 29.275 13.353 15.293 1.00 0.00 C ATOM 944 C LEU X 65 28.485 14.610 14.943 1.00 0.00 C ATOM 945 O LEU X 65 29.050 15.600 14.475 1.00 0.00 O ATOM 946 CB LEU X 65 29.857 13.498 16.703 1.00 0.00 C ATOM 947 CG LEU X 65 30.733 12.284 17.028 1.00 0.00 C ATOM 948 CD1 LEU X 65 31.317 12.437 18.429 1.00 0.00 C ATOM 949 CD2 LEU X 65 29.900 11.002 16.966 1.00 0.00 C ATOM 0 H LEU X 65 31.289 13.324 14.705 1.00 0.00 H new ATOM 0 HA LEU X 65 28.607 12.492 15.255 1.00 0.00 H new ATOM 0 HB2 LEU X 65 30.446 14.412 16.771 1.00 0.00 H new ATOM 0 HB3 LEU X 65 29.051 13.583 17.432 1.00 0.00 H new ATOM 0 HG LEU X 65 31.539 12.224 16.297 1.00 0.00 H new ATOM 0 HD11 LEU X 65 31.940 11.573 18.660 1.00 0.00 H new ATOM 0 HD12 LEU X 65 31.921 13.343 18.474 1.00 0.00 H new ATOM 0 HD13 LEU X 65 30.507 12.505 19.155 1.00 0.00 H new ATOM 0 HD21 LEU X 65 30.533 10.145 17.199 1.00 0.00 H new ATOM 0 HD22 LEU X 65 29.088 11.061 17.690 1.00 0.00 H new ATOM 0 HD23 LEU X 65 29.485 10.886 15.965 1.00 0.00 H new ATOM 961 N LYS X 66 27.175 14.563 15.162 1.00 0.00 N ATOM 962 CA LYS X 66 26.315 15.700 14.857 1.00 0.00 C ATOM 963 C LYS X 66 25.451 16.060 16.065 1.00 0.00 C ATOM 964 O LYS X 66 24.259 15.756 16.098 1.00 0.00 O ATOM 965 CB LYS X 66 25.419 15.336 13.679 1.00 0.00 C ATOM 966 CG LYS X 66 26.289 14.987 12.472 1.00 0.00 C ATOM 967 CD LYS X 66 25.435 14.274 11.432 1.00 0.00 C ATOM 968 CE LYS X 66 26.294 13.925 10.217 1.00 0.00 C ATOM 969 NZ LYS X 66 25.487 13.136 9.243 1.00 0.00 N ATOM 0 H LYS X 66 26.688 13.754 15.548 1.00 0.00 H new ATOM 0 HA LYS X 66 26.935 16.561 14.608 1.00 0.00 H new ATOM 0 HB2 LYS X 66 24.782 14.491 13.939 1.00 0.00 H new ATOM 0 HB3 LYS X 66 24.759 16.170 13.438 1.00 0.00 H new ATOM 0 HG2 LYS X 66 26.722 15.892 12.046 1.00 0.00 H new ATOM 0 HG3 LYS X 66 27.119 14.350 12.778 1.00 0.00 H new ATOM 0 HD2 LYS X 66 25.005 13.368 11.859 1.00 0.00 H new ATOM 0 HD3 LYS X 66 24.603 14.911 11.131 1.00 0.00 H new ATOM 0 HE2 LYS X 66 26.662 14.836 9.746 1.00 0.00 H new ATOM 0 HE3 LYS X 66 27.167 13.352 10.529 1.00 0.00 H new ATOM 0 HZ1 LYS X 66 26.073 12.900 8.417 1.00 0.00 H new ATOM 0 HZ2 LYS X 66 25.157 12.260 9.695 1.00 0.00 H new ATOM 0 HZ3 LYS X 66 24.667 13.697 8.936 1.00 0.00 H new ATOM 983 N PRO X 67 26.032 16.692 17.050 1.00 0.00 N ATOM 984 CA PRO X 67 25.307 17.099 18.293 1.00 0.00 C ATOM 985 C PRO X 67 24.117 18.005 17.986 1.00 0.00 C ATOM 986 O PRO X 67 24.174 18.833 17.078 1.00 0.00 O ATOM 987 CB PRO X 67 26.368 17.858 19.101 1.00 0.00 C ATOM 988 CG PRO X 67 27.676 17.375 18.574 1.00 0.00 C ATOM 989 CD PRO X 67 27.446 17.092 17.095 1.00 0.00 C ATOM 0 HA PRO X 67 24.891 16.243 18.824 1.00 0.00 H new ATOM 0 HB2 PRO X 67 26.265 18.936 18.973 1.00 0.00 H new ATOM 0 HB3 PRO X 67 26.273 17.653 20.167 1.00 0.00 H new ATOM 0 HG2 PRO X 67 28.455 18.125 18.713 1.00 0.00 H new ATOM 0 HG3 PRO X 67 28.002 16.477 19.098 1.00 0.00 H new ATOM 0 HD2 PRO X 67 27.636 17.973 16.481 1.00 0.00 H new ATOM 0 HD3 PRO X 67 28.101 16.301 16.729 1.00 0.00 H new ATOM 997 N ALA X 68 23.040 17.837 18.746 1.00 0.00 N ATOM 998 CA ALA X 68 21.842 18.643 18.544 1.00 0.00 C ATOM 999 C ALA X 68 22.114 20.108 18.870 1.00 0.00 C ATOM 1000 O ALA X 68 22.841 20.418 19.815 1.00 0.00 O ATOM 1001 CB ALA X 68 20.709 18.122 19.429 1.00 0.00 C ATOM 0 H ALA X 68 22.972 17.155 19.502 1.00 0.00 H new ATOM 0 HA ALA X 68 21.550 18.568 17.496 1.00 0.00 H new ATOM 0 HB1 ALA X 68 19.817 18.729 19.273 1.00 0.00 H new ATOM 0 HB2 ALA X 68 20.493 17.085 19.170 1.00 0.00 H new ATOM 0 HB3 ALA X 68 21.009 18.180 20.475 1.00 0.00 H new ATOM 1007 N LYS X 69 21.519 21.003 18.089 1.00 0.00 N ATOM 1008 CA LYS X 69 21.698 22.434 18.309 1.00 0.00 C ATOM 1009 C LYS X 69 21.160 22.832 19.679 1.00 0.00 C ATOM 1010 O LYS X 69 21.753 23.659 20.374 1.00 0.00 O ATOM 1011 CB LYS X 69 20.971 23.226 17.220 1.00 0.00 C ATOM 1012 CG LYS X 69 21.717 23.071 15.893 1.00 0.00 C ATOM 1013 CD LYS X 69 20.897 23.706 14.767 1.00 0.00 C ATOM 1014 CE LYS X 69 20.859 25.225 14.951 1.00 0.00 C ATOM 1015 NZ LYS X 69 20.124 25.844 13.813 1.00 0.00 N ATOM 0 H LYS X 69 20.913 20.766 17.304 1.00 0.00 H new ATOM 0 HA LYS X 69 22.763 22.661 18.269 1.00 0.00 H new ATOM 0 HB2 LYS X 69 19.947 22.868 17.118 1.00 0.00 H new ATOM 0 HB3 LYS X 69 20.915 24.279 17.497 1.00 0.00 H new ATOM 0 HG2 LYS X 69 22.696 23.546 15.957 1.00 0.00 H new ATOM 0 HG3 LYS X 69 21.888 22.016 15.681 1.00 0.00 H new ATOM 0 HD2 LYS X 69 21.335 23.458 13.800 1.00 0.00 H new ATOM 0 HD3 LYS X 69 19.884 23.304 14.770 1.00 0.00 H new ATOM 0 HE2 LYS X 69 20.371 25.476 15.893 1.00 0.00 H new ATOM 0 HE3 LYS X 69 21.873 25.622 15.002 1.00 0.00 H new ATOM 0 HZ1 LYS X 69 20.098 26.876 13.937 1.00 0.00 H new ATOM 0 HZ2 LYS X 69 20.608 25.615 12.921 1.00 0.00 H new ATOM 0 HZ3 LYS X 69 19.153 25.474 13.785 1.00 0.00 H new ATOM 1029 N SER X 70 20.036 22.237 20.063 1.00 0.00 N ATOM 1030 CA SER X 70 19.427 22.534 21.354 1.00 0.00 C ATOM 1031 C SER X 70 20.359 22.127 22.493 1.00 0.00 C ATOM 1032 O SER X 70 20.261 22.652 23.603 1.00 0.00 O ATOM 1033 CB SER X 70 18.099 21.789 21.489 1.00 0.00 C ATOM 1034 OG SER X 70 18.346 20.388 21.490 1.00 0.00 O ATOM 0 H SER X 70 19.531 21.550 19.503 1.00 0.00 H new ATOM 0 HA SER X 70 19.248 23.608 21.411 1.00 0.00 H new ATOM 0 HB2 SER X 70 17.596 22.082 22.410 1.00 0.00 H new ATOM 0 HB3 SER X 70 17.435 22.053 20.666 1.00 0.00 H new ATOM 0 HG SER X 70 17.497 19.906 21.578 1.00 0.00 H new ATOM 1040 N ALA X 71 21.259 21.189 22.213 1.00 0.00 N ATOM 1041 CA ALA X 71 22.201 20.722 23.224 1.00 0.00 C ATOM 1042 C ALA X 71 23.133 21.851 23.650 1.00 0.00 C ATOM 1043 CB ALA X 71 23.025 19.560 22.668 1.00 0.00 C ATOM 0 H ALA X 71 21.356 20.741 21.302 1.00 0.00 H new ATOM 0 HA ALA X 71 21.637 20.385 24.094 1.00 0.00 H new ATOM 0 HB1 ALA X 71 23.727 19.215 23.428 1.00 0.00 H new ATOM 0 HB2 ALA X 71 22.360 18.742 22.391 1.00 0.00 H new ATOM 0 HB3 ALA X 71 23.577 19.893 21.789 1.00 0.00 H new TER 1049 ALA X 71