USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 290 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 : S 5 TYR OH : rot 180:sc= 0 USER MOD Single : S 6 SER OG : rot 180:sc= 0 USER MOD Single : S 7 SER OG : rot 180:sc= 0 USER MOD Single : S 9 THR OG1 : rot 180:sc= 0 USER MOD Single : S 12 GLN : amide:sc= -11.8! C(o=-12!,f=-14!) USER MOD Single : S 14 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0265) USER MOD Single : S 18 THR OG1 : rot 103:sc= 1.01 USER MOD Single : S 19 LYS NZ :NH3+ 149:sc= -0.18 (180deg=-1.51!) USER MOD Single : S 21 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.1!) USER MOD Single : S 23 SER OG : rot -62:sc= 0.2 USER MOD Single : S 28 LYS NZ :NH3+ -151:sc= 0.647 (180deg=-0.684!) USER MOD Single : S 29 ASN : amide:sc= -0.4 K(o=-0.4,f=-2.4!) USER MOD Single : S 33 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : S 37 LYS NZ :NH3+ 144:sc= -0.087 (180deg=-0.658) USER MOD ----------------------------------------------------------------- ATOM 31 N ASP S 4 28.317 13.082 21.876 1.00 0.00 N ATOM 32 CA ASP S 4 28.324 12.392 20.552 1.00 0.00 C ATOM 33 C ASP S 4 29.141 13.192 19.535 1.00 0.00 C ATOM 34 O ASP S 4 30.342 13.062 19.455 1.00 0.00 O ATOM 35 CB ASP S 4 26.857 12.301 20.103 1.00 0.00 C ATOM 36 CG ASP S 4 26.076 13.527 20.589 1.00 0.00 C ATOM 37 OD1 ASP S 4 26.689 14.570 20.747 1.00 0.00 O ATOM 38 OD2 ASP S 4 24.881 13.401 20.796 1.00 0.00 O ATOM 0 HA ASP S 4 28.778 11.404 20.627 1.00 0.00 H new ATOM 0 HB2 ASP S 4 26.805 12.236 19.016 1.00 0.00 H new ATOM 0 HB3 ASP S 4 26.404 11.392 20.499 1.00 0.00 H new ATOM 43 N TYR S 5 28.488 14.002 18.751 1.00 0.00 N ATOM 44 CA TYR S 5 29.199 14.803 17.707 1.00 0.00 C ATOM 45 C TYR S 5 30.385 15.562 18.291 1.00 0.00 C ATOM 46 O TYR S 5 31.393 15.712 17.629 1.00 0.00 O ATOM 47 CB TYR S 5 28.147 15.781 17.199 1.00 0.00 C ATOM 48 CG TYR S 5 26.905 15.007 16.864 1.00 0.00 C ATOM 49 CD1 TYR S 5 27.013 13.828 16.123 1.00 0.00 C ATOM 50 CD2 TYR S 5 25.655 15.454 17.304 1.00 0.00 C ATOM 51 CE1 TYR S 5 25.863 13.091 15.813 1.00 0.00 C ATOM 52 CE2 TYR S 5 24.505 14.718 16.997 1.00 0.00 C ATOM 53 CZ TYR S 5 24.608 13.537 16.250 1.00 0.00 C ATOM 54 OH TYR S 5 23.475 12.810 15.947 1.00 0.00 O ATOM 0 H TYR S 5 27.479 14.148 18.787 1.00 0.00 H new ATOM 0 HA TYR S 5 29.607 14.168 16.921 1.00 0.00 H new ATOM 0 HB2 TYR S 5 27.932 16.534 17.957 1.00 0.00 H new ATOM 0 HB3 TYR S 5 28.514 16.310 16.319 1.00 0.00 H new ATOM 0 HD1 TYR S 5 27.981 13.485 15.790 1.00 0.00 H new ATOM 0 HD2 TYR S 5 25.577 16.365 17.879 1.00 0.00 H new ATOM 0 HE1 TYR S 5 25.943 12.180 15.238 1.00 0.00 H new ATOM 0 HE2 TYR S 5 23.538 15.060 17.336 1.00 0.00 H new ATOM 0 HH TYR S 5 22.689 13.256 16.325 1.00 0.00 H new ATOM 64 N SER S 6 30.252 16.038 19.513 1.00 0.00 N ATOM 65 CA SER S 6 31.348 16.810 20.198 1.00 0.00 C ATOM 66 C SER S 6 32.505 17.127 19.243 1.00 0.00 C ATOM 67 O SER S 6 32.655 18.242 18.783 1.00 0.00 O ATOM 68 CB SER S 6 31.826 15.894 21.323 1.00 0.00 C ATOM 69 OG SER S 6 30.914 15.971 22.411 1.00 0.00 O ATOM 0 H SER S 6 29.410 15.921 20.077 1.00 0.00 H new ATOM 0 HA SER S 6 30.987 17.772 20.561 1.00 0.00 H new ATOM 0 HB2 SER S 6 31.898 14.867 20.966 1.00 0.00 H new ATOM 0 HB3 SER S 6 32.824 16.189 21.648 1.00 0.00 H new ATOM 0 HG SER S 6 31.217 15.383 23.134 1.00 0.00 H new ATOM 75 N SER S 7 33.314 16.150 18.930 1.00 0.00 N ATOM 76 CA SER S 7 34.447 16.394 17.996 1.00 0.00 C ATOM 77 C SER S 7 34.820 15.107 17.247 1.00 0.00 C ATOM 78 O SER S 7 35.957 14.681 17.272 1.00 0.00 O ATOM 79 CB SER S 7 35.602 16.848 18.887 1.00 0.00 C ATOM 80 OG SER S 7 36.177 18.029 18.345 1.00 0.00 O ATOM 0 H SER S 7 33.238 15.195 19.281 1.00 0.00 H new ATOM 0 HA SER S 7 34.197 17.135 17.237 1.00 0.00 H new ATOM 0 HB2 SER S 7 35.244 17.036 19.899 1.00 0.00 H new ATOM 0 HB3 SER S 7 36.354 16.062 18.956 1.00 0.00 H new ATOM 0 HG SER S 7 36.917 18.324 18.915 1.00 0.00 H new ATOM 86 N LEU S 8 33.883 14.486 16.572 1.00 0.00 N ATOM 87 CA LEU S 8 34.237 13.233 15.825 1.00 0.00 C ATOM 88 C LEU S 8 35.112 13.586 14.625 1.00 0.00 C ATOM 89 O LEU S 8 35.385 14.738 14.363 1.00 0.00 O ATOM 90 CB LEU S 8 32.928 12.595 15.314 1.00 0.00 C ATOM 91 CG LEU S 8 31.729 12.956 16.190 1.00 0.00 C ATOM 92 CD1 LEU S 8 30.590 11.977 15.902 1.00 0.00 C ATOM 93 CD2 LEU S 8 32.116 12.849 17.669 1.00 0.00 C ATOM 0 H LEU S 8 32.909 14.782 16.504 1.00 0.00 H new ATOM 0 HA LEU S 8 34.775 12.546 16.478 1.00 0.00 H new ATOM 0 HB2 LEU S 8 32.741 12.923 14.292 1.00 0.00 H new ATOM 0 HB3 LEU S 8 33.041 11.511 15.285 1.00 0.00 H new ATOM 0 HG LEU S 8 31.414 13.976 15.971 1.00 0.00 H new ATOM 0 HD11 LEU S 8 29.730 12.227 16.523 1.00 0.00 H new ATOM 0 HD12 LEU S 8 30.310 12.043 14.851 1.00 0.00 H new ATOM 0 HD13 LEU S 8 30.917 10.962 16.127 1.00 0.00 H new ATOM 0 HD21 LEU S 8 31.258 13.107 18.289 1.00 0.00 H new ATOM 0 HD22 LEU S 8 32.430 11.829 17.890 1.00 0.00 H new ATOM 0 HD23 LEU S 8 32.936 13.535 17.881 1.00 0.00 H new ATOM 105 N THR S 9 35.523 12.608 13.869 1.00 0.00 N ATOM 106 CA THR S 9 36.336 12.906 12.664 1.00 0.00 C ATOM 107 C THR S 9 35.387 13.409 11.575 1.00 0.00 C ATOM 108 O THR S 9 34.317 12.869 11.384 1.00 0.00 O ATOM 109 CB THR S 9 36.975 11.573 12.271 1.00 0.00 C ATOM 110 OG1 THR S 9 38.099 11.327 13.102 1.00 0.00 O ATOM 111 CG2 THR S 9 37.421 11.630 10.811 1.00 0.00 C ATOM 0 H THR S 9 35.331 11.620 14.034 1.00 0.00 H new ATOM 0 HA THR S 9 37.102 13.665 12.824 1.00 0.00 H new ATOM 0 HB THR S 9 36.248 10.770 12.395 1.00 0.00 H new ATOM 0 HG1 THR S 9 38.509 10.472 12.853 1.00 0.00 H new ATOM 0 HG21 THR S 9 37.876 10.680 10.532 1.00 0.00 H new ATOM 0 HG22 THR S 9 36.557 11.819 10.174 1.00 0.00 H new ATOM 0 HG23 THR S 9 38.148 12.432 10.684 1.00 0.00 H new ATOM 119 N VAL S 10 35.748 14.438 10.866 1.00 0.00 N ATOM 120 CA VAL S 10 34.826 14.959 9.827 1.00 0.00 C ATOM 121 C VAL S 10 34.312 13.807 8.962 1.00 0.00 C ATOM 122 O VAL S 10 33.213 13.853 8.438 1.00 0.00 O ATOM 123 CB VAL S 10 35.674 15.935 9.017 1.00 0.00 C ATOM 124 CG1 VAL S 10 37.024 15.300 8.688 1.00 0.00 C ATOM 125 CG2 VAL S 10 34.947 16.286 7.725 1.00 0.00 C ATOM 0 H VAL S 10 36.633 14.936 10.960 1.00 0.00 H new ATOM 0 HA VAL S 10 33.944 15.446 10.242 1.00 0.00 H new ATOM 0 HB VAL S 10 35.838 16.840 9.601 1.00 0.00 H new ATOM 0 HG11 VAL S 10 37.625 16.002 8.110 1.00 0.00 H new ATOM 0 HG12 VAL S 10 37.545 15.053 9.613 1.00 0.00 H new ATOM 0 HG13 VAL S 10 36.867 14.392 8.106 1.00 0.00 H new ATOM 0 HG21 VAL S 10 35.552 16.983 7.145 1.00 0.00 H new ATOM 0 HG22 VAL S 10 34.781 15.379 7.143 1.00 0.00 H new ATOM 0 HG23 VAL S 10 33.988 16.747 7.961 1.00 0.00 H new ATOM 135 N VAL S 11 35.079 12.761 8.829 1.00 0.00 N ATOM 136 CA VAL S 11 34.607 11.605 8.018 1.00 0.00 C ATOM 137 C VAL S 11 33.462 10.890 8.755 1.00 0.00 C ATOM 138 O VAL S 11 32.438 10.574 8.176 1.00 0.00 O ATOM 139 CB VAL S 11 35.850 10.707 7.850 1.00 0.00 C ATOM 140 CG1 VAL S 11 35.746 9.443 8.717 1.00 0.00 C ATOM 141 CG2 VAL S 11 35.978 10.297 6.382 1.00 0.00 C ATOM 0 H VAL S 11 36.005 12.657 9.243 1.00 0.00 H new ATOM 0 HA VAL S 11 34.205 11.892 7.046 1.00 0.00 H new ATOM 0 HB VAL S 11 36.727 11.272 8.168 1.00 0.00 H new ATOM 0 HG11 VAL S 11 36.637 8.831 8.576 1.00 0.00 H new ATOM 0 HG12 VAL S 11 35.663 9.727 9.766 1.00 0.00 H new ATOM 0 HG13 VAL S 11 34.864 8.873 8.425 1.00 0.00 H new ATOM 0 HG21 VAL S 11 36.855 9.662 6.257 1.00 0.00 H new ATOM 0 HG22 VAL S 11 35.086 9.748 6.078 1.00 0.00 H new ATOM 0 HG23 VAL S 11 36.084 11.188 5.763 1.00 0.00 H new ATOM 151 N GLN S 12 33.615 10.641 10.032 1.00 0.00 N ATOM 152 CA GLN S 12 32.522 9.960 10.775 1.00 0.00 C ATOM 153 C GLN S 12 31.355 10.932 10.977 1.00 0.00 C ATOM 154 O GLN S 12 30.206 10.549 10.890 1.00 0.00 O ATOM 155 CB GLN S 12 33.162 9.465 12.087 1.00 0.00 C ATOM 156 CG GLN S 12 32.889 10.397 13.262 1.00 0.00 C ATOM 157 CD GLN S 12 31.910 9.718 14.223 1.00 0.00 C ATOM 158 OE1 GLN S 12 30.805 9.390 13.847 1.00 0.00 O ATOM 159 NE2 GLN S 12 32.278 9.475 15.452 1.00 0.00 N ATOM 0 H GLN S 12 34.440 10.878 10.583 1.00 0.00 H new ATOM 0 HA GLN S 12 32.094 9.111 10.243 1.00 0.00 H new ATOM 0 HB2 GLN S 12 32.780 8.471 12.320 1.00 0.00 H new ATOM 0 HB3 GLN S 12 34.239 9.368 11.948 1.00 0.00 H new ATOM 0 HG2 GLN S 12 33.819 10.634 13.778 1.00 0.00 H new ATOM 0 HG3 GLN S 12 32.473 11.340 12.906 1.00 0.00 H new ATOM 0 HE21 GLN S 12 33.207 9.750 15.770 1.00 0.00 H new ATOM 0 HE22 GLN S 12 31.636 9.010 16.094 1.00 0.00 H new ATOM 168 N LEU S 13 31.632 12.198 11.186 1.00 0.00 N ATOM 169 CA LEU S 13 30.516 13.178 11.332 1.00 0.00 C ATOM 170 C LEU S 13 29.692 13.108 10.047 1.00 0.00 C ATOM 171 O LEU S 13 28.469 13.044 10.056 1.00 0.00 O ATOM 172 CB LEU S 13 31.194 14.550 11.477 1.00 0.00 C ATOM 173 CG LEU S 13 31.611 14.789 12.931 1.00 0.00 C ATOM 174 CD1 LEU S 13 33.134 14.839 13.015 1.00 0.00 C ATOM 175 CD2 LEU S 13 31.059 16.125 13.423 1.00 0.00 C ATOM 0 H LEU S 13 32.571 12.588 11.261 1.00 0.00 H new ATOM 0 HA LEU S 13 29.862 12.987 12.183 1.00 0.00 H new ATOM 0 HB2 LEU S 13 32.068 14.601 10.828 1.00 0.00 H new ATOM 0 HB3 LEU S 13 30.511 15.336 11.154 1.00 0.00 H new ATOM 0 HG LEU S 13 31.219 13.980 13.547 1.00 0.00 H new ATOM 0 HD11 LEU S 13 33.436 15.009 14.048 1.00 0.00 H new ATOM 0 HD12 LEU S 13 33.549 13.893 12.667 1.00 0.00 H new ATOM 0 HD13 LEU S 13 33.506 15.651 12.390 1.00 0.00 H new ATOM 0 HD21 LEU S 13 31.362 16.285 14.458 1.00 0.00 H new ATOM 0 HD22 LEU S 13 31.450 16.931 12.802 1.00 0.00 H new ATOM 0 HD23 LEU S 13 29.971 16.114 13.361 1.00 0.00 H new ATOM 187 N LYS S 14 30.368 13.065 8.932 1.00 0.00 N ATOM 188 CA LYS S 14 29.648 12.939 7.645 1.00 0.00 C ATOM 189 C LYS S 14 28.986 11.563 7.611 1.00 0.00 C ATOM 190 O LYS S 14 27.949 11.373 7.010 1.00 0.00 O ATOM 191 CB LYS S 14 30.723 13.055 6.564 1.00 0.00 C ATOM 192 CG LYS S 14 30.171 13.853 5.381 1.00 0.00 C ATOM 193 CD LYS S 14 31.325 14.291 4.477 1.00 0.00 C ATOM 194 CE LYS S 14 32.029 13.056 3.910 1.00 0.00 C ATOM 195 NZ LYS S 14 33.407 13.106 4.473 1.00 0.00 N ATOM 0 H LYS S 14 31.384 13.112 8.862 1.00 0.00 H new ATOM 0 HA LYS S 14 28.876 13.695 7.502 1.00 0.00 H new ATOM 0 HB2 LYS S 14 31.608 13.547 6.967 1.00 0.00 H new ATOM 0 HB3 LYS S 14 31.032 12.063 6.235 1.00 0.00 H new ATOM 0 HG2 LYS S 14 29.464 13.245 4.817 1.00 0.00 H new ATOM 0 HG3 LYS S 14 29.625 14.725 5.740 1.00 0.00 H new ATOM 0 HD2 LYS S 14 30.948 14.913 3.665 1.00 0.00 H new ATOM 0 HD3 LYS S 14 32.032 14.898 5.042 1.00 0.00 H new ATOM 0 HE2 LYS S 14 31.516 12.140 4.203 1.00 0.00 H new ATOM 0 HE3 LYS S 14 32.047 13.077 2.820 1.00 0.00 H new ATOM 0 HZ1 LYS S 14 33.926 12.247 4.198 1.00 0.00 H new ATOM 0 HZ2 LYS S 14 33.903 13.943 4.104 1.00 0.00 H new ATOM 0 HZ3 LYS S 14 33.356 13.163 5.510 1.00 0.00 H new ATOM 209 N ASP S 15 29.587 10.597 8.262 1.00 0.00 N ATOM 210 CA ASP S 15 28.995 9.229 8.277 1.00 0.00 C ATOM 211 C ASP S 15 27.688 9.215 9.082 1.00 0.00 C ATOM 212 O ASP S 15 26.675 8.731 8.612 1.00 0.00 O ATOM 213 CB ASP S 15 30.049 8.351 8.953 1.00 0.00 C ATOM 214 CG ASP S 15 29.948 6.923 8.413 1.00 0.00 C ATOM 215 OD1 ASP S 15 29.653 6.775 7.238 1.00 0.00 O ATOM 216 OD2 ASP S 15 30.167 6.002 9.182 1.00 0.00 O ATOM 0 H ASP S 15 30.459 10.699 8.781 1.00 0.00 H new ATOM 0 HA ASP S 15 28.749 8.878 7.275 1.00 0.00 H new ATOM 0 HB2 ASP S 15 31.045 8.752 8.766 1.00 0.00 H new ATOM 0 HB3 ASP S 15 29.901 8.354 10.033 1.00 0.00 H new ATOM 221 N LEU S 16 27.679 9.745 10.286 1.00 0.00 N ATOM 222 CA LEU S 16 26.408 9.736 11.055 1.00 0.00 C ATOM 223 C LEU S 16 25.348 10.522 10.284 1.00 0.00 C ATOM 224 O LEU S 16 24.214 10.095 10.163 1.00 0.00 O ATOM 225 CB LEU S 16 26.664 10.378 12.439 1.00 0.00 C ATOM 226 CG LEU S 16 27.745 11.463 12.414 1.00 0.00 C ATOM 227 CD1 LEU S 16 27.171 12.753 12.999 1.00 0.00 C ATOM 228 CD2 LEU S 16 28.922 11.021 13.286 1.00 0.00 C ATOM 0 H LEU S 16 28.479 10.171 10.753 1.00 0.00 H new ATOM 0 HA LEU S 16 26.051 8.716 11.194 1.00 0.00 H new ATOM 0 HB2 LEU S 16 25.734 10.810 12.809 1.00 0.00 H new ATOM 0 HB3 LEU S 16 26.956 9.600 13.144 1.00 0.00 H new ATOM 0 HG LEU S 16 28.075 11.625 11.388 1.00 0.00 H new ATOM 0 HD11 LEU S 16 27.935 13.530 12.985 1.00 0.00 H new ATOM 0 HD12 LEU S 16 26.316 13.073 12.404 1.00 0.00 H new ATOM 0 HD13 LEU S 16 26.852 12.576 14.026 1.00 0.00 H new ATOM 0 HD21 LEU S 16 29.694 11.790 13.272 1.00 0.00 H new ATOM 0 HD22 LEU S 16 28.580 10.870 14.310 1.00 0.00 H new ATOM 0 HD23 LEU S 16 29.332 10.088 12.899 1.00 0.00 H new ATOM 240 N LEU S 17 25.698 11.657 9.741 1.00 0.00 N ATOM 241 CA LEU S 17 24.687 12.430 8.977 1.00 0.00 C ATOM 242 C LEU S 17 24.364 11.728 7.663 1.00 0.00 C ATOM 243 O LEU S 17 23.238 11.756 7.201 1.00 0.00 O ATOM 244 CB LEU S 17 25.318 13.792 8.762 1.00 0.00 C ATOM 245 CG LEU S 17 25.010 14.661 9.978 1.00 0.00 C ATOM 246 CD1 LEU S 17 25.400 16.106 9.707 1.00 0.00 C ATOM 247 CD2 LEU S 17 23.527 14.603 10.322 1.00 0.00 C ATOM 0 H LEU S 17 26.627 12.075 9.794 1.00 0.00 H new ATOM 0 HA LEU S 17 23.736 12.519 9.502 1.00 0.00 H new ATOM 0 HB2 LEU S 17 26.395 13.694 8.628 1.00 0.00 H new ATOM 0 HB3 LEU S 17 24.925 14.254 7.856 1.00 0.00 H new ATOM 0 HG LEU S 17 25.588 14.277 10.819 1.00 0.00 H new ATOM 0 HD11 LEU S 17 25.175 16.714 10.583 1.00 0.00 H new ATOM 0 HD12 LEU S 17 26.467 16.161 9.492 1.00 0.00 H new ATOM 0 HD13 LEU S 17 24.838 16.480 8.851 1.00 0.00 H new ATOM 0 HD21 LEU S 17 23.330 15.230 11.192 1.00 0.00 H new ATOM 0 HD22 LEU S 17 22.943 14.964 9.475 1.00 0.00 H new ATOM 0 HD23 LEU S 17 23.245 13.574 10.545 1.00 0.00 H new ATOM 259 N THR S 18 25.316 11.066 7.071 1.00 0.00 N ATOM 260 CA THR S 18 25.003 10.338 5.818 1.00 0.00 C ATOM 261 C THR S 18 23.892 9.347 6.149 1.00 0.00 C ATOM 262 O THR S 18 22.943 9.179 5.410 1.00 0.00 O ATOM 263 CB THR S 18 26.294 9.612 5.430 1.00 0.00 C ATOM 264 OG1 THR S 18 27.212 10.545 4.878 1.00 0.00 O ATOM 265 CG2 THR S 18 25.981 8.528 4.397 1.00 0.00 C ATOM 0 H THR S 18 26.281 10.999 7.395 1.00 0.00 H new ATOM 0 HA THR S 18 24.673 10.978 5.000 1.00 0.00 H new ATOM 0 HB THR S 18 26.732 9.151 6.315 1.00 0.00 H new ATOM 0 HG1 THR S 18 27.900 10.760 5.542 1.00 0.00 H new ATOM 0 HG21 THR S 18 26.901 8.012 4.121 1.00 0.00 H new ATOM 0 HG22 THR S 18 25.277 7.813 4.822 1.00 0.00 H new ATOM 0 HG23 THR S 18 25.542 8.986 3.510 1.00 0.00 H new ATOM 273 N LYS S 19 23.993 8.723 7.295 1.00 0.00 N ATOM 274 CA LYS S 19 22.931 7.775 7.730 1.00 0.00 C ATOM 275 C LYS S 19 21.746 8.575 8.284 1.00 0.00 C ATOM 276 O LYS S 19 20.641 8.081 8.390 1.00 0.00 O ATOM 277 CB LYS S 19 23.575 6.930 8.830 1.00 0.00 C ATOM 278 CG LYS S 19 23.649 5.471 8.375 1.00 0.00 C ATOM 279 CD LYS S 19 23.066 4.566 9.462 1.00 0.00 C ATOM 280 CE LYS S 19 23.325 3.101 9.101 1.00 0.00 C ATOM 281 NZ LYS S 19 24.807 2.958 9.121 1.00 0.00 N ATOM 0 H LYS S 19 24.769 8.832 7.948 1.00 0.00 H new ATOM 0 HA LYS S 19 22.558 7.151 6.918 1.00 0.00 H new ATOM 0 HB2 LYS S 19 24.574 7.304 9.052 1.00 0.00 H new ATOM 0 HB3 LYS S 19 22.994 7.006 9.749 1.00 0.00 H new ATOM 0 HG2 LYS S 19 23.097 5.341 7.444 1.00 0.00 H new ATOM 0 HG3 LYS S 19 24.684 5.194 8.173 1.00 0.00 H new ATOM 0 HD2 LYS S 19 23.519 4.799 10.426 1.00 0.00 H new ATOM 0 HD3 LYS S 19 21.995 4.743 9.562 1.00 0.00 H new ATOM 0 HE2 LYS S 19 22.853 2.428 9.817 1.00 0.00 H new ATOM 0 HE3 LYS S 19 22.918 2.858 8.120 1.00 0.00 H new ATOM 0 HZ1 LYS S 19 25.059 1.990 9.407 1.00 0.00 H new ATOM 0 HZ2 LYS S 19 25.187 3.149 8.172 1.00 0.00 H new ATOM 0 HZ3 LYS S 19 25.212 3.635 9.798 1.00 0.00 H new ATOM 295 N ARG S 20 21.976 9.815 8.640 1.00 0.00 N ATOM 296 CA ARG S 20 20.876 10.662 9.192 1.00 0.00 C ATOM 297 C ARG S 20 20.113 11.348 8.055 1.00 0.00 C ATOM 298 O ARG S 20 19.118 12.009 8.277 1.00 0.00 O ATOM 299 CB ARG S 20 21.580 11.713 10.062 1.00 0.00 C ATOM 300 CG ARG S 20 20.764 11.958 11.333 1.00 0.00 C ATOM 301 CD ARG S 20 21.270 13.225 12.025 1.00 0.00 C ATOM 302 NE ARG S 20 20.272 13.504 13.095 1.00 0.00 N ATOM 303 CZ ARG S 20 20.122 14.718 13.546 1.00 0.00 C ATOM 304 NH1 ARG S 20 18.987 15.341 13.376 1.00 0.00 N ATOM 305 NH2 ARG S 20 21.104 15.312 14.168 1.00 0.00 N ATOM 0 H ARG S 20 22.882 10.278 8.571 1.00 0.00 H new ATOM 0 HA ARG S 20 20.153 10.075 9.758 1.00 0.00 H new ATOM 0 HB2 ARG S 20 22.582 11.373 10.321 1.00 0.00 H new ATOM 0 HB3 ARG S 20 21.693 12.643 9.506 1.00 0.00 H new ATOM 0 HG2 ARG S 20 19.708 12.063 11.086 1.00 0.00 H new ATOM 0 HG3 ARG S 20 20.851 11.104 12.005 1.00 0.00 H new ATOM 0 HD2 ARG S 20 22.266 13.076 12.443 1.00 0.00 H new ATOM 0 HD3 ARG S 20 21.340 14.057 11.324 1.00 0.00 H new ATOM 0 HE ARG S 20 19.706 12.745 13.475 1.00 0.00 H new ATOM 0 HH11 ARG S 20 18.219 14.878 12.891 1.00 0.00 H new ATOM 0 HH12 ARG S 20 18.869 16.291 13.729 1.00 0.00 H new ATOM 0 HH21 ARG S 20 21.991 14.826 14.302 1.00 0.00 H new ATOM 0 HH22 ARG S 20 20.984 16.262 14.520 1.00 0.00 H new ATOM 319 N ASN S 21 20.579 11.214 6.842 1.00 0.00 N ATOM 320 CA ASN S 21 19.887 11.877 5.703 1.00 0.00 C ATOM 321 C ASN S 21 20.096 13.378 5.825 1.00 0.00 C ATOM 322 O ASN S 21 19.349 14.176 5.295 1.00 0.00 O ATOM 323 CB ASN S 21 18.406 11.518 5.852 1.00 0.00 C ATOM 324 CG ASN S 21 17.874 10.987 4.520 1.00 0.00 C ATOM 325 OD1 ASN S 21 18.580 10.317 3.794 1.00 0.00 O ATOM 326 ND2 ASN S 21 16.646 11.259 4.167 1.00 0.00 N ATOM 0 H ASN S 21 21.408 10.674 6.593 1.00 0.00 H new ATOM 0 HA ASN S 21 20.263 11.560 4.730 1.00 0.00 H new ATOM 0 HB2 ASN S 21 18.279 10.767 6.632 1.00 0.00 H new ATOM 0 HB3 ASN S 21 17.837 12.396 6.159 1.00 0.00 H new ATOM 0 HD21 ASN S 21 16.280 10.909 3.282 1.00 0.00 H new ATOM 0 HD22 ASN S 21 16.053 11.822 4.777 1.00 0.00 H new ATOM 333 N LEU S 22 21.116 13.761 6.539 1.00 0.00 N ATOM 334 CA LEU S 22 21.397 15.204 6.728 1.00 0.00 C ATOM 335 C LEU S 22 22.912 15.429 6.738 1.00 0.00 C ATOM 336 O LEU S 22 23.505 15.699 7.757 1.00 0.00 O ATOM 337 CB LEU S 22 20.767 15.533 8.089 1.00 0.00 C ATOM 338 CG LEU S 22 20.844 17.039 8.390 1.00 0.00 C ATOM 339 CD1 LEU S 22 22.145 17.336 9.134 1.00 0.00 C ATOM 340 CD2 LEU S 22 20.804 17.853 7.089 1.00 0.00 C ATOM 0 H LEU S 22 21.770 13.129 7.002 1.00 0.00 H new ATOM 0 HA LEU S 22 20.995 15.837 5.937 1.00 0.00 H new ATOM 0 HB2 LEU S 22 19.726 15.211 8.098 1.00 0.00 H new ATOM 0 HB3 LEU S 22 21.279 14.976 8.874 1.00 0.00 H new ATOM 0 HG LEU S 22 19.988 17.320 9.004 1.00 0.00 H new ATOM 0 HD11 LEU S 22 22.205 18.403 9.350 1.00 0.00 H new ATOM 0 HD12 LEU S 22 22.166 16.775 10.068 1.00 0.00 H new ATOM 0 HD13 LEU S 22 22.993 17.043 8.515 1.00 0.00 H new ATOM 0 HD21 LEU S 22 20.860 18.916 7.323 1.00 0.00 H new ATOM 0 HD22 LEU S 22 21.650 17.575 6.460 1.00 0.00 H new ATOM 0 HD23 LEU S 22 19.874 17.646 6.559 1.00 0.00 H new ATOM 352 N SER S 23 23.542 15.293 5.606 1.00 0.00 N ATOM 353 CA SER S 23 25.016 15.468 5.540 1.00 0.00 C ATOM 354 C SER S 23 25.488 16.609 6.420 1.00 0.00 C ATOM 355 O SER S 23 24.778 17.563 6.662 1.00 0.00 O ATOM 356 CB SER S 23 25.323 15.802 4.101 1.00 0.00 C ATOM 357 OG SER S 23 24.275 15.327 3.266 1.00 0.00 O ATOM 0 H SER S 23 23.095 15.066 4.718 1.00 0.00 H new ATOM 0 HA SER S 23 25.519 14.565 5.887 1.00 0.00 H new ATOM 0 HB2 SER S 23 25.435 16.880 3.983 1.00 0.00 H new ATOM 0 HB3 SER S 23 26.270 15.349 3.806 1.00 0.00 H new ATOM 0 HG SER S 23 24.216 14.351 3.338 1.00 0.00 H new ATOM 363 N VAL S 24 26.696 16.513 6.890 1.00 0.00 N ATOM 364 CA VAL S 24 27.250 17.580 7.758 1.00 0.00 C ATOM 365 C VAL S 24 27.511 18.846 6.941 1.00 0.00 C ATOM 366 O VAL S 24 27.639 18.800 5.735 1.00 0.00 O ATOM 367 CB VAL S 24 28.554 17.004 8.281 1.00 0.00 C ATOM 368 CG1 VAL S 24 28.267 15.741 9.090 1.00 0.00 C ATOM 369 CG2 VAL S 24 29.457 16.650 7.105 1.00 0.00 C ATOM 0 H VAL S 24 27.328 15.734 6.708 1.00 0.00 H new ATOM 0 HA VAL S 24 26.570 17.861 8.562 1.00 0.00 H new ATOM 0 HB VAL S 24 29.046 17.741 8.916 1.00 0.00 H new ATOM 0 HG11 VAL S 24 29.204 15.328 9.465 1.00 0.00 H new ATOM 0 HG12 VAL S 24 27.617 15.987 9.930 1.00 0.00 H new ATOM 0 HG13 VAL S 24 27.775 15.005 8.454 1.00 0.00 H new ATOM 0 HG21 VAL S 24 30.394 16.236 7.477 1.00 0.00 H new ATOM 0 HG22 VAL S 24 28.960 15.913 6.474 1.00 0.00 H new ATOM 0 HG23 VAL S 24 29.663 17.547 6.522 1.00 0.00 H new ATOM 412 N LYS S 28 34.847 21.925 9.804 1.00 0.00 N ATOM 413 CA LYS S 28 34.793 20.936 10.911 1.00 0.00 C ATOM 414 C LYS S 28 33.838 21.477 11.974 1.00 0.00 C ATOM 415 O LYS S 28 33.045 20.757 12.552 1.00 0.00 O ATOM 416 CB LYS S 28 36.221 20.846 11.448 1.00 0.00 C ATOM 417 CG LYS S 28 36.250 19.913 12.659 1.00 0.00 C ATOM 418 CD LYS S 28 36.159 18.458 12.191 1.00 0.00 C ATOM 419 CE LYS S 28 35.247 17.677 13.142 1.00 0.00 C ATOM 420 NZ LYS S 28 36.176 17.006 14.092 1.00 0.00 N ATOM 0 HA LYS S 28 34.439 19.952 10.602 1.00 0.00 H new ATOM 0 HB2 LYS S 28 36.890 20.474 10.672 1.00 0.00 H new ATOM 0 HB3 LYS S 28 36.579 21.836 11.729 1.00 0.00 H new ATOM 0 HG2 LYS S 28 37.168 20.066 13.226 1.00 0.00 H new ATOM 0 HG3 LYS S 28 35.420 20.143 13.327 1.00 0.00 H new ATOM 0 HD2 LYS S 28 35.767 18.415 11.175 1.00 0.00 H new ATOM 0 HD3 LYS S 28 37.152 18.008 12.169 1.00 0.00 H new ATOM 0 HE2 LYS S 28 34.558 18.341 13.664 1.00 0.00 H new ATOM 0 HE3 LYS S 28 34.641 16.950 12.601 1.00 0.00 H new ATOM 0 HZ1 LYS S 28 35.746 16.122 14.432 1.00 0.00 H new ATOM 0 HZ2 LYS S 28 37.072 16.792 13.609 1.00 0.00 H new ATOM 0 HZ3 LYS S 28 36.360 17.634 14.900 1.00 0.00 H new ATOM 434 N ASN S 29 33.882 22.760 12.209 1.00 0.00 N ATOM 435 CA ASN S 29 32.949 23.353 13.197 1.00 0.00 C ATOM 436 C ASN S 29 31.536 23.257 12.636 1.00 0.00 C ATOM 437 O ASN S 29 30.579 23.112 13.363 1.00 0.00 O ATOM 438 CB ASN S 29 33.370 24.810 13.351 1.00 0.00 C ATOM 439 CG ASN S 29 34.851 24.879 13.729 1.00 0.00 C ATOM 440 OD1 ASN S 29 35.452 23.874 14.056 1.00 0.00 O ATOM 441 ND2 ASN S 29 35.467 26.028 13.697 1.00 0.00 N ATOM 0 H ASN S 29 34.521 23.416 11.761 1.00 0.00 H new ATOM 0 HA ASN S 29 32.972 22.844 14.161 1.00 0.00 H new ATOM 0 HB2 ASN S 29 33.196 25.350 12.420 1.00 0.00 H new ATOM 0 HB3 ASN S 29 32.766 25.295 14.118 1.00 0.00 H new ATOM 0 HD21 ASN S 29 36.454 26.084 13.947 1.00 0.00 H new ATOM 0 HD22 ASN S 29 34.961 26.870 13.422 1.00 0.00 H new ATOM 448 N GLU S 30 31.404 23.312 11.336 1.00 0.00 N ATOM 449 CA GLU S 30 30.053 23.188 10.729 1.00 0.00 C ATOM 450 C GLU S 30 29.538 21.780 11.011 1.00 0.00 C ATOM 451 O GLU S 30 28.366 21.566 11.240 1.00 0.00 O ATOM 452 CB GLU S 30 30.252 23.408 9.230 1.00 0.00 C ATOM 453 CG GLU S 30 29.868 24.844 8.870 1.00 0.00 C ATOM 454 CD GLU S 30 28.383 25.064 9.158 1.00 0.00 C ATOM 455 OE1 GLU S 30 27.637 24.101 9.087 1.00 0.00 O ATOM 456 OE2 GLU S 30 28.016 26.191 9.444 1.00 0.00 O ATOM 0 H GLU S 30 32.171 23.437 10.675 1.00 0.00 H new ATOM 0 HA GLU S 30 29.332 23.902 11.127 1.00 0.00 H new ATOM 0 HB2 GLU S 30 31.291 23.219 8.959 1.00 0.00 H new ATOM 0 HB3 GLU S 30 29.642 22.704 8.664 1.00 0.00 H new ATOM 0 HG2 GLU S 30 30.469 25.547 9.446 1.00 0.00 H new ATOM 0 HG3 GLU S 30 30.077 25.034 7.817 1.00 0.00 H new ATOM 463 N LEU S 31 30.427 20.821 11.030 1.00 0.00 N ATOM 464 CA LEU S 31 30.020 19.431 11.339 1.00 0.00 C ATOM 465 C LEU S 31 29.556 19.384 12.791 1.00 0.00 C ATOM 466 O LEU S 31 28.502 18.870 13.117 1.00 0.00 O ATOM 467 CB LEU S 31 31.313 18.623 11.185 1.00 0.00 C ATOM 468 CG LEU S 31 31.665 18.346 9.714 1.00 0.00 C ATOM 469 CD1 LEU S 31 31.323 16.893 9.389 1.00 0.00 C ATOM 470 CD2 LEU S 31 30.913 19.292 8.759 1.00 0.00 C ATOM 0 H LEU S 31 31.422 20.948 10.843 1.00 0.00 H new ATOM 0 HA LEU S 31 29.217 19.056 10.705 1.00 0.00 H new ATOM 0 HB2 LEU S 31 32.134 19.164 11.655 1.00 0.00 H new ATOM 0 HB3 LEU S 31 31.211 17.676 11.715 1.00 0.00 H new ATOM 0 HG LEU S 31 32.731 18.524 9.574 1.00 0.00 H new ATOM 0 HD11 LEU S 31 31.569 16.686 8.348 1.00 0.00 H new ATOM 0 HD12 LEU S 31 31.898 16.230 10.036 1.00 0.00 H new ATOM 0 HD13 LEU S 31 30.258 16.725 9.551 1.00 0.00 H new ATOM 0 HD21 LEU S 31 31.189 19.064 7.729 1.00 0.00 H new ATOM 0 HD22 LEU S 31 29.839 19.158 8.885 1.00 0.00 H new ATOM 0 HD23 LEU S 31 31.179 20.325 8.986 1.00 0.00 H new ATOM 482 N VAL S 32 30.347 19.946 13.660 1.00 0.00 N ATOM 483 CA VAL S 32 29.988 19.973 15.101 1.00 0.00 C ATOM 484 C VAL S 32 28.689 20.766 15.299 1.00 0.00 C ATOM 485 O VAL S 32 27.794 20.353 16.012 1.00 0.00 O ATOM 486 CB VAL S 32 31.216 20.648 15.756 1.00 0.00 C ATOM 487 CG1 VAL S 32 30.850 21.970 16.452 1.00 0.00 C ATOM 488 CG2 VAL S 32 31.820 19.688 16.781 1.00 0.00 C ATOM 0 H VAL S 32 31.235 20.392 13.430 1.00 0.00 H new ATOM 0 HA VAL S 32 29.790 18.994 15.538 1.00 0.00 H new ATOM 0 HB VAL S 32 31.933 20.879 14.968 1.00 0.00 H new ATOM 0 HG11 VAL S 32 31.744 22.407 16.897 1.00 0.00 H new ATOM 0 HG12 VAL S 32 30.433 22.663 15.721 1.00 0.00 H new ATOM 0 HG13 VAL S 32 30.113 21.779 17.232 1.00 0.00 H new ATOM 0 HG21 VAL S 32 32.687 20.154 17.249 1.00 0.00 H new ATOM 0 HG22 VAL S 32 31.077 19.455 17.544 1.00 0.00 H new ATOM 0 HG23 VAL S 32 32.127 18.769 16.282 1.00 0.00 H new ATOM 498 N GLN S 33 28.584 21.896 14.663 1.00 0.00 N ATOM 499 CA GLN S 33 27.355 22.725 14.797 1.00 0.00 C ATOM 500 C GLN S 33 26.155 22.034 14.145 1.00 0.00 C ATOM 501 O GLN S 33 25.061 22.061 14.667 1.00 0.00 O ATOM 502 CB GLN S 33 27.681 24.029 14.069 1.00 0.00 C ATOM 503 CG GLN S 33 28.312 25.017 15.052 1.00 0.00 C ATOM 504 CD GLN S 33 28.846 26.230 14.286 1.00 0.00 C ATOM 505 OE1 GLN S 33 29.795 26.119 13.535 1.00 0.00 O ATOM 506 NE2 GLN S 33 28.272 27.390 14.444 1.00 0.00 N ATOM 0 H GLN S 33 29.302 22.285 14.051 1.00 0.00 H new ATOM 0 HA GLN S 33 27.087 22.888 15.841 1.00 0.00 H new ATOM 0 HB2 GLN S 33 28.364 23.835 13.242 1.00 0.00 H new ATOM 0 HB3 GLN S 33 26.774 24.455 13.640 1.00 0.00 H new ATOM 0 HG2 GLN S 33 27.574 25.335 15.788 1.00 0.00 H new ATOM 0 HG3 GLN S 33 29.121 24.534 15.600 1.00 0.00 H new ATOM 0 HE21 GLN S 33 27.475 27.483 15.074 1.00 0.00 H new ATOM 0 HE22 GLN S 33 28.619 28.204 13.937 1.00 0.00 H new ATOM 515 N ARG S 34 26.338 21.434 13.000 1.00 0.00 N ATOM 516 CA ARG S 34 25.181 20.775 12.328 1.00 0.00 C ATOM 517 C ARG S 34 24.656 19.599 13.166 1.00 0.00 C ATOM 518 O ARG S 34 23.465 19.455 13.353 1.00 0.00 O ATOM 519 CB ARG S 34 25.722 20.296 10.963 1.00 0.00 C ATOM 520 CG ARG S 34 24.994 19.015 10.521 1.00 0.00 C ATOM 521 CD ARG S 34 24.780 19.012 9.001 1.00 0.00 C ATOM 522 NE ARG S 34 23.597 19.887 8.773 1.00 0.00 N ATOM 523 CZ ARG S 34 23.680 20.898 7.952 1.00 0.00 C ATOM 524 NH1 ARG S 34 24.277 20.757 6.801 1.00 0.00 N ATOM 525 NH2 ARG S 34 23.163 22.050 8.283 1.00 0.00 N ATOM 0 H ARG S 34 27.228 21.371 12.505 1.00 0.00 H new ATOM 0 HA ARG S 34 24.338 21.456 12.208 1.00 0.00 H new ATOM 0 HB2 ARG S 34 25.585 21.077 10.215 1.00 0.00 H new ATOM 0 HB3 ARG S 34 26.793 20.108 11.034 1.00 0.00 H new ATOM 0 HG2 ARG S 34 25.575 18.141 10.813 1.00 0.00 H new ATOM 0 HG3 ARG S 34 24.032 18.943 11.029 1.00 0.00 H new ATOM 0 HD2 ARG S 34 25.658 19.392 8.479 1.00 0.00 H new ATOM 0 HD3 ARG S 34 24.601 18.003 8.630 1.00 0.00 H new ATOM 0 HE ARG S 34 22.721 19.696 9.259 1.00 0.00 H new ATOM 0 HH11 ARG S 34 24.679 19.856 6.542 1.00 0.00 H new ATOM 0 HH12 ARG S 34 24.342 21.548 6.160 1.00 0.00 H new ATOM 0 HH21 ARG S 34 22.695 22.159 9.183 1.00 0.00 H new ATOM 0 HH22 ARG S 34 23.227 22.841 7.642 1.00 0.00 H new ATOM 539 N LEU S 35 25.518 18.755 13.671 1.00 0.00 N ATOM 540 CA LEU S 35 25.002 17.607 14.481 1.00 0.00 C ATOM 541 C LEU S 35 24.489 18.080 15.841 1.00 0.00 C ATOM 542 O LEU S 35 23.423 17.698 16.277 1.00 0.00 O ATOM 543 CB LEU S 35 26.161 16.635 14.699 1.00 0.00 C ATOM 544 CG LEU S 35 26.962 16.420 13.421 1.00 0.00 C ATOM 545 CD1 LEU S 35 28.304 15.787 13.772 1.00 0.00 C ATOM 546 CD2 LEU S 35 26.204 15.474 12.517 1.00 0.00 C ATOM 0 H LEU S 35 26.531 18.805 13.563 1.00 0.00 H new ATOM 0 HA LEU S 35 24.175 17.133 13.952 1.00 0.00 H new ATOM 0 HB2 LEU S 35 26.817 17.020 15.480 1.00 0.00 H new ATOM 0 HB3 LEU S 35 25.773 15.679 15.051 1.00 0.00 H new ATOM 0 HG LEU S 35 27.118 17.376 12.920 1.00 0.00 H new ATOM 0 HD11 LEU S 35 28.882 15.631 12.861 1.00 0.00 H new ATOM 0 HD12 LEU S 35 28.854 16.448 14.442 1.00 0.00 H new ATOM 0 HD13 LEU S 35 28.137 14.829 14.264 1.00 0.00 H new ATOM 0 HD21 LEU S 35 26.771 15.315 11.600 1.00 0.00 H new ATOM 0 HD22 LEU S 35 26.062 14.521 13.026 1.00 0.00 H new ATOM 0 HD23 LEU S 35 25.232 15.904 12.273 1.00 0.00 H new ATOM 558 N ILE S 36 25.255 18.887 16.525 1.00 0.00 N ATOM 559 CA ILE S 36 24.826 19.354 17.874 1.00 0.00 C ATOM 560 C ILE S 36 23.648 20.326 17.760 1.00 0.00 C ATOM 561 O ILE S 36 22.698 20.248 18.513 1.00 0.00 O ATOM 562 CB ILE S 36 26.063 20.035 18.468 1.00 0.00 C ATOM 563 CG1 ILE S 36 27.253 19.073 18.394 1.00 0.00 C ATOM 564 CG2 ILE S 36 25.807 20.387 19.935 1.00 0.00 C ATOM 565 CD1 ILE S 36 28.559 19.868 18.411 1.00 0.00 C ATOM 0 H ILE S 36 26.157 19.242 16.208 1.00 0.00 H new ATOM 0 HA ILE S 36 24.478 18.537 18.505 1.00 0.00 H new ATOM 0 HB ILE S 36 26.276 20.943 17.905 1.00 0.00 H new ATOM 0 HG12 ILE S 36 27.226 18.381 19.235 1.00 0.00 H new ATOM 0 HG13 ILE S 36 27.193 18.473 17.486 1.00 0.00 H new ATOM 0 HG21 ILE S 36 26.690 20.871 20.352 1.00 0.00 H new ATOM 0 HG22 ILE S 36 24.955 21.064 20.003 1.00 0.00 H new ATOM 0 HG23 ILE S 36 25.593 19.477 20.496 1.00 0.00 H new ATOM 0 HD11 ILE S 36 29.404 19.181 18.358 1.00 0.00 H new ATOM 0 HD12 ILE S 36 28.586 20.542 17.555 1.00 0.00 H new ATOM 0 HD13 ILE S 36 28.620 20.448 19.332 1.00 0.00 H new ATOM 577 N LYS S 37 23.688 21.230 16.823 1.00 0.00 N ATOM 578 CA LYS S 37 22.550 22.183 16.671 1.00 0.00 C ATOM 579 C LYS S 37 21.324 21.441 16.132 1.00 0.00 C ATOM 580 O LYS S 37 20.213 21.653 16.576 1.00 0.00 O ATOM 581 CB LYS S 37 23.027 23.232 15.666 1.00 0.00 C ATOM 582 CG LYS S 37 22.032 24.394 15.630 1.00 0.00 C ATOM 583 CD LYS S 37 22.024 25.103 16.986 1.00 0.00 C ATOM 584 CE LYS S 37 22.547 26.532 16.819 1.00 0.00 C ATOM 585 NZ LYS S 37 21.517 27.224 15.996 1.00 0.00 N ATOM 0 H LYS S 37 24.453 21.352 16.159 1.00 0.00 H new ATOM 0 HA LYS S 37 22.264 22.640 17.619 1.00 0.00 H new ATOM 0 HB2 LYS S 37 24.016 23.595 15.945 1.00 0.00 H new ATOM 0 HB3 LYS S 37 23.118 22.787 14.675 1.00 0.00 H new ATOM 0 HG2 LYS S 37 22.305 25.096 14.842 1.00 0.00 H new ATOM 0 HG3 LYS S 37 21.034 24.025 15.395 1.00 0.00 H new ATOM 0 HD2 LYS S 37 21.013 25.120 17.393 1.00 0.00 H new ATOM 0 HD3 LYS S 37 22.645 24.558 17.697 1.00 0.00 H new ATOM 0 HE2 LYS S 37 22.675 27.021 17.785 1.00 0.00 H new ATOM 0 HE3 LYS S 37 23.519 26.542 16.326 1.00 0.00 H new ATOM 0 HZ1 LYS S 37 21.426 28.211 16.311 1.00 0.00 H new ATOM 0 HZ2 LYS S 37 21.801 27.205 14.996 1.00 0.00 H new ATOM 0 HZ3 LYS S 37 20.603 26.740 16.105 1.00 0.00 H new ATOM 599 N ASP S 38 21.519 20.569 15.178 1.00 0.00 N ATOM 600 CA ASP S 38 20.365 19.812 14.612 1.00 0.00 C ATOM 601 C ASP S 38 19.858 18.777 15.622 1.00 0.00 C ATOM 602 O ASP S 38 18.670 18.582 15.778 1.00 0.00 O ATOM 603 CB ASP S 38 20.921 19.118 13.368 1.00 0.00 C ATOM 604 CG ASP S 38 19.788 18.399 12.635 1.00 0.00 C ATOM 605 OD1 ASP S 38 18.681 18.913 12.646 1.00 0.00 O ATOM 606 OD2 ASP S 38 20.044 17.346 12.075 1.00 0.00 O ATOM 0 H ASP S 38 22.426 20.349 14.767 1.00 0.00 H new ATOM 0 HA ASP S 38 19.522 20.462 14.377 1.00 0.00 H new ATOM 0 HB2 ASP S 38 21.388 19.850 12.709 1.00 0.00 H new ATOM 0 HB3 ASP S 38 21.695 18.405 13.652 1.00 0.00 H new ATOM 611 N ASP S 39 20.749 18.111 16.305 1.00 0.00 N ATOM 612 CA ASP S 39 20.313 17.086 17.300 1.00 0.00 C ATOM 613 C ASP S 39 19.735 17.763 18.546 1.00 0.00 C ATOM 614 O ASP S 39 18.746 17.324 19.097 1.00 0.00 O ATOM 615 CB ASP S 39 21.580 16.305 17.649 1.00 0.00 C ATOM 616 CG ASP S 39 21.299 15.384 18.838 1.00 0.00 C ATOM 617 OD1 ASP S 39 20.147 15.290 19.228 1.00 0.00 O ATOM 618 OD2 ASP S 39 22.239 14.788 19.337 1.00 0.00 O ATOM 0 H ASP S 39 21.758 18.231 16.218 1.00 0.00 H new ATOM 0 HA ASP S 39 19.532 16.437 16.905 1.00 0.00 H new ATOM 0 HB2 ASP S 39 21.907 15.719 16.790 1.00 0.00 H new ATOM 0 HB3 ASP S 39 22.389 16.994 17.892 1.00 0.00 H new