USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=8 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= 0.00703 USER MOD Single : S 7 SER OG : rot 180:sc= 0 USER MOD Single : S 9 THR OG1 : rot 180:sc= -1.07 USER MOD Single : S 12 GLN : amide:sc= -15.6! C(o=-16!,f=-17!) USER MOD Single : S 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : S 18 THR OG1 : rot 69:sc= 0.996 USER MOD Single : S 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : S 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : S 23 SER OG : rot 180:sc= 0.127 USER MOD Single : S 28 LYS NZ :NH3+ -171:sc= -0.212 (180deg=-0.542) USER MOD Single : S 29 ASN : amide:sc= 0.124 K(o=0.12,f=-1.3!) USER MOD Single : S 33 GLN : amide:sc=-0.00978 X(o=-0.0098,f=-0.14) USER MOD Single : S 37 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.188) USER MOD ----------------------------------------------------------------- ATOM 31 N ASP S 4 28.361 13.401 21.878 1.00 0.00 N ATOM 32 CA ASP S 4 28.434 12.644 20.594 1.00 0.00 C ATOM 33 C ASP S 4 29.252 13.424 19.562 1.00 0.00 C ATOM 34 O ASP S 4 30.458 13.330 19.513 1.00 0.00 O ATOM 35 CB ASP S 4 26.985 12.469 20.110 1.00 0.00 C ATOM 36 CG ASP S 4 26.142 13.684 20.514 1.00 0.00 C ATOM 37 OD1 ASP S 4 26.649 14.790 20.420 1.00 0.00 O ATOM 38 OD2 ASP S 4 25.004 13.486 20.908 1.00 0.00 O ATOM 0 HA ASP S 4 28.922 11.679 20.731 1.00 0.00 H new ATOM 0 HB2 ASP S 4 26.968 12.349 19.027 1.00 0.00 H new ATOM 0 HB3 ASP S 4 26.558 11.562 20.538 1.00 0.00 H new ATOM 43 N TYR S 5 28.592 14.181 18.731 1.00 0.00 N ATOM 44 CA TYR S 5 29.304 14.960 17.672 1.00 0.00 C ATOM 45 C TYR S 5 30.466 15.753 18.256 1.00 0.00 C ATOM 46 O TYR S 5 31.474 15.930 17.599 1.00 0.00 O ATOM 47 CB TYR S 5 28.249 15.915 17.125 1.00 0.00 C ATOM 48 CG TYR S 5 27.005 15.131 16.825 1.00 0.00 C ATOM 49 CD1 TYR S 5 27.101 13.956 16.078 1.00 0.00 C ATOM 50 CD2 TYR S 5 25.765 15.568 17.302 1.00 0.00 C ATOM 51 CE1 TYR S 5 25.949 13.211 15.799 1.00 0.00 C ATOM 52 CE2 TYR S 5 24.612 14.824 17.024 1.00 0.00 C ATOM 53 CZ TYR S 5 24.703 13.645 16.272 1.00 0.00 C ATOM 54 OH TYR S 5 23.568 12.912 15.997 1.00 0.00 O ATOM 0 H TYR S 5 27.579 14.296 18.738 1.00 0.00 H new ATOM 0 HA TYR S 5 29.727 14.307 16.908 1.00 0.00 H new ATOM 0 HB2 TYR S 5 28.036 16.700 17.851 1.00 0.00 H new ATOM 0 HB3 TYR S 5 28.614 16.406 16.223 1.00 0.00 H new ATOM 0 HD1 TYR S 5 28.062 13.622 15.716 1.00 0.00 H new ATOM 0 HD2 TYR S 5 25.697 16.476 17.883 1.00 0.00 H new ATOM 0 HE1 TYR S 5 26.020 12.302 15.220 1.00 0.00 H new ATOM 0 HE2 TYR S 5 23.652 15.159 17.389 1.00 0.00 H new ATOM 0 HH TYR S 5 22.790 13.351 16.399 1.00 0.00 H new ATOM 64 N SER S 6 30.309 16.228 19.475 1.00 0.00 N ATOM 65 CA SER S 6 31.373 17.034 20.168 1.00 0.00 C ATOM 66 C SER S 6 32.575 17.305 19.258 1.00 0.00 C ATOM 67 O SER S 6 32.791 18.416 18.814 1.00 0.00 O ATOM 68 CB SER S 6 31.797 16.181 21.362 1.00 0.00 C ATOM 69 OG SER S 6 30.765 15.249 21.663 1.00 0.00 O ATOM 0 H SER S 6 29.466 16.086 20.031 1.00 0.00 H new ATOM 0 HA SER S 6 30.994 18.014 20.460 1.00 0.00 H new ATOM 0 HB2 SER S 6 32.724 15.654 21.137 1.00 0.00 H new ATOM 0 HB3 SER S 6 31.993 16.816 22.226 1.00 0.00 H new ATOM 0 HG SER S 6 31.034 14.699 22.428 1.00 0.00 H new ATOM 75 N SER S 7 33.355 16.297 18.967 1.00 0.00 N ATOM 76 CA SER S 7 34.531 16.507 18.077 1.00 0.00 C ATOM 77 C SER S 7 34.885 15.222 17.315 1.00 0.00 C ATOM 78 O SER S 7 36.004 14.752 17.377 1.00 0.00 O ATOM 79 CB SER S 7 35.668 16.898 19.019 1.00 0.00 C ATOM 80 OG SER S 7 36.635 17.652 18.300 1.00 0.00 O ATOM 0 H SER S 7 33.228 15.343 19.306 1.00 0.00 H new ATOM 0 HA SER S 7 34.336 17.267 17.321 1.00 0.00 H new ATOM 0 HB2 SER S 7 35.280 17.483 19.853 1.00 0.00 H new ATOM 0 HB3 SER S 7 36.128 16.005 19.443 1.00 0.00 H new ATOM 0 HG SER S 7 37.365 17.906 18.902 1.00 0.00 H new ATOM 86 N LEU S 8 33.957 14.650 16.584 1.00 0.00 N ATOM 87 CA LEU S 8 34.304 13.402 15.823 1.00 0.00 C ATOM 88 C LEU S 8 35.174 13.765 14.619 1.00 0.00 C ATOM 89 O LEU S 8 35.411 14.924 14.342 1.00 0.00 O ATOM 90 CB LEU S 8 32.990 12.775 15.309 1.00 0.00 C ATOM 91 CG LEU S 8 31.790 13.144 16.183 1.00 0.00 C ATOM 92 CD1 LEU S 8 30.647 12.168 15.890 1.00 0.00 C ATOM 93 CD2 LEU S 8 32.170 13.037 17.662 1.00 0.00 C ATOM 0 H LEU S 8 32.998 14.981 16.481 1.00 0.00 H new ATOM 0 HA LEU S 8 34.843 12.707 16.467 1.00 0.00 H new ATOM 0 HB2 LEU S 8 32.808 13.106 14.287 1.00 0.00 H new ATOM 0 HB3 LEU S 8 33.095 11.690 15.279 1.00 0.00 H new ATOM 0 HG LEU S 8 31.481 14.166 15.964 1.00 0.00 H new ATOM 0 HD11 LEU S 8 29.785 12.421 16.508 1.00 0.00 H new ATOM 0 HD12 LEU S 8 30.372 12.236 14.838 1.00 0.00 H new ATOM 0 HD13 LEU S 8 30.969 11.152 16.116 1.00 0.00 H new ATOM 0 HD21 LEU S 8 31.311 13.301 18.278 1.00 0.00 H new ATOM 0 HD22 LEU S 8 32.477 12.015 17.886 1.00 0.00 H new ATOM 0 HD23 LEU S 8 32.993 13.718 17.876 1.00 0.00 H new ATOM 105 N THR S 9 35.617 12.787 13.877 1.00 0.00 N ATOM 106 CA THR S 9 36.429 13.094 12.662 1.00 0.00 C ATOM 107 C THR S 9 35.473 13.547 11.555 1.00 0.00 C ATOM 108 O THR S 9 34.387 13.021 11.411 1.00 0.00 O ATOM 109 CB THR S 9 37.139 11.790 12.287 1.00 0.00 C ATOM 110 OG1 THR S 9 37.687 11.911 10.981 1.00 0.00 O ATOM 111 CG2 THR S 9 36.146 10.631 12.316 1.00 0.00 C ATOM 0 H THR S 9 35.454 11.796 14.056 1.00 0.00 H new ATOM 0 HA THR S 9 37.161 13.885 12.822 1.00 0.00 H new ATOM 0 HB THR S 9 37.937 11.596 13.004 1.00 0.00 H new ATOM 0 HG1 THR S 9 38.144 11.078 10.739 1.00 0.00 H new ATOM 0 HG21 THR S 9 36.658 9.707 12.048 1.00 0.00 H new ATOM 0 HG22 THR S 9 35.726 10.536 13.318 1.00 0.00 H new ATOM 0 HG23 THR S 9 35.344 10.821 11.603 1.00 0.00 H new ATOM 119 N VAL S 10 35.844 14.527 10.783 1.00 0.00 N ATOM 120 CA VAL S 10 34.909 15.019 9.727 1.00 0.00 C ATOM 121 C VAL S 10 34.347 13.851 8.914 1.00 0.00 C ATOM 122 O VAL S 10 33.203 13.871 8.497 1.00 0.00 O ATOM 123 CB VAL S 10 35.741 15.943 8.834 1.00 0.00 C ATOM 124 CG1 VAL S 10 34.803 16.735 7.922 1.00 0.00 C ATOM 125 CG2 VAL S 10 36.540 16.920 9.698 1.00 0.00 C ATOM 0 H VAL S 10 36.743 15.007 10.833 1.00 0.00 H new ATOM 0 HA VAL S 10 34.055 15.540 10.161 1.00 0.00 H new ATOM 0 HB VAL S 10 36.428 15.344 8.236 1.00 0.00 H new ATOM 0 HG11 VAL S 10 35.389 17.396 7.283 1.00 0.00 H new ATOM 0 HG12 VAL S 10 34.230 16.045 7.303 1.00 0.00 H new ATOM 0 HG13 VAL S 10 34.121 17.329 8.530 1.00 0.00 H new ATOM 0 HG21 VAL S 10 37.130 17.575 9.056 1.00 0.00 H new ATOM 0 HG22 VAL S 10 35.855 17.520 10.297 1.00 0.00 H new ATOM 0 HG23 VAL S 10 37.205 16.362 10.357 1.00 0.00 H new ATOM 135 N VAL S 11 35.122 12.830 8.692 1.00 0.00 N ATOM 136 CA VAL S 11 34.604 11.678 7.911 1.00 0.00 C ATOM 137 C VAL S 11 33.459 10.989 8.668 1.00 0.00 C ATOM 138 O VAL S 11 32.427 10.679 8.098 1.00 0.00 O ATOM 139 CB VAL S 11 35.803 10.743 7.754 1.00 0.00 C ATOM 140 CG1 VAL S 11 36.039 9.971 9.053 1.00 0.00 C ATOM 141 CG2 VAL S 11 35.530 9.760 6.620 1.00 0.00 C ATOM 0 H VAL S 11 36.086 12.743 9.015 1.00 0.00 H new ATOM 0 HA VAL S 11 34.196 11.978 6.946 1.00 0.00 H new ATOM 0 HB VAL S 11 36.691 11.333 7.525 1.00 0.00 H new ATOM 0 HG11 VAL S 11 36.895 9.307 8.931 1.00 0.00 H new ATOM 0 HG12 VAL S 11 36.236 10.673 9.863 1.00 0.00 H new ATOM 0 HG13 VAL S 11 35.154 9.381 9.292 1.00 0.00 H new ATOM 0 HG21 VAL S 11 36.383 9.091 6.505 1.00 0.00 H new ATOM 0 HG22 VAL S 11 34.639 9.176 6.852 1.00 0.00 H new ATOM 0 HG23 VAL S 11 35.372 10.310 5.692 1.00 0.00 H new ATOM 151 N GLN S 12 33.615 10.745 9.944 1.00 0.00 N ATOM 152 CA GLN S 12 32.516 10.077 10.687 1.00 0.00 C ATOM 153 C GLN S 12 31.350 11.052 10.909 1.00 0.00 C ATOM 154 O GLN S 12 30.203 10.667 10.810 1.00 0.00 O ATOM 155 CB GLN S 12 33.151 9.554 11.987 1.00 0.00 C ATOM 156 CG GLN S 12 32.912 10.495 13.162 1.00 0.00 C ATOM 157 CD GLN S 12 31.841 9.889 14.072 1.00 0.00 C ATOM 158 OE1 GLN S 12 31.906 10.009 15.279 1.00 0.00 O ATOM 159 NE2 GLN S 12 30.851 9.228 13.538 1.00 0.00 N ATOM 0 H GLN S 12 34.443 10.977 10.492 1.00 0.00 H new ATOM 0 HA GLN S 12 32.076 9.244 10.139 1.00 0.00 H new ATOM 0 HB2 GLN S 12 32.740 8.572 12.221 1.00 0.00 H new ATOM 0 HB3 GLN S 12 34.223 9.424 11.839 1.00 0.00 H new ATOM 0 HG2 GLN S 12 33.837 10.647 13.718 1.00 0.00 H new ATOM 0 HG3 GLN S 12 32.592 11.473 12.803 1.00 0.00 H new ATOM 0 HE21 GLN S 12 30.794 9.126 12.525 1.00 0.00 H new ATOM 0 HE22 GLN S 12 30.134 8.814 14.134 1.00 0.00 H new ATOM 168 N LEU S 13 31.612 12.318 11.155 1.00 0.00 N ATOM 169 CA LEU S 13 30.471 13.269 11.318 1.00 0.00 C ATOM 170 C LEU S 13 29.663 13.195 10.024 1.00 0.00 C ATOM 171 O LEU S 13 28.440 13.162 10.019 1.00 0.00 O ATOM 172 CB LEU S 13 31.091 14.665 11.510 1.00 0.00 C ATOM 173 CG LEU S 13 31.643 14.811 12.929 1.00 0.00 C ATOM 174 CD1 LEU S 13 33.161 14.953 12.865 1.00 0.00 C ATOM 175 CD2 LEU S 13 31.067 16.061 13.590 1.00 0.00 C ATOM 0 H LEU S 13 32.544 12.722 11.247 1.00 0.00 H new ATOM 0 HA LEU S 13 29.822 13.043 12.164 1.00 0.00 H new ATOM 0 HB2 LEU S 13 31.890 14.818 10.784 1.00 0.00 H new ATOM 0 HB3 LEU S 13 30.340 15.433 11.324 1.00 0.00 H new ATOM 0 HG LEU S 13 31.366 13.930 13.508 1.00 0.00 H new ATOM 0 HD11 LEU S 13 33.560 15.057 13.874 1.00 0.00 H new ATOM 0 HD12 LEU S 13 33.590 14.068 12.395 1.00 0.00 H new ATOM 0 HD13 LEU S 13 33.420 15.835 12.280 1.00 0.00 H new ATOM 0 HD21 LEU S 13 31.466 16.155 14.600 1.00 0.00 H new ATOM 0 HD22 LEU S 13 31.342 16.940 13.007 1.00 0.00 H new ATOM 0 HD23 LEU S 13 29.981 15.981 13.635 1.00 0.00 H new ATOM 187 N LYS S 14 30.355 13.105 8.921 1.00 0.00 N ATOM 188 CA LYS S 14 29.658 12.958 7.622 1.00 0.00 C ATOM 189 C LYS S 14 29.008 11.579 7.596 1.00 0.00 C ATOM 190 O LYS S 14 27.981 11.373 6.986 1.00 0.00 O ATOM 191 CB LYS S 14 30.751 13.071 6.558 1.00 0.00 C ATOM 192 CG LYS S 14 30.107 13.278 5.184 1.00 0.00 C ATOM 193 CD LYS S 14 30.144 11.965 4.400 1.00 0.00 C ATOM 194 CE LYS S 14 31.519 11.796 3.751 1.00 0.00 C ATOM 195 NZ LYS S 14 31.985 10.448 4.183 1.00 0.00 N ATOM 0 H LYS S 14 31.373 13.127 8.868 1.00 0.00 H new ATOM 0 HA LYS S 14 28.883 13.705 7.454 1.00 0.00 H new ATOM 0 HB2 LYS S 14 31.414 13.904 6.790 1.00 0.00 H new ATOM 0 HB3 LYS S 14 31.363 12.169 6.553 1.00 0.00 H new ATOM 0 HG2 LYS S 14 29.077 13.615 5.300 1.00 0.00 H new ATOM 0 HG3 LYS S 14 30.637 14.056 4.636 1.00 0.00 H new ATOM 0 HD2 LYS S 14 29.939 11.126 5.065 1.00 0.00 H new ATOM 0 HD3 LYS S 14 29.367 11.964 3.636 1.00 0.00 H new ATOM 0 HE2 LYS S 14 31.454 11.862 2.665 1.00 0.00 H new ATOM 0 HE3 LYS S 14 32.208 12.575 4.077 1.00 0.00 H new ATOM 0 HZ1 LYS S 14 32.924 10.259 3.777 1.00 0.00 H new ATOM 0 HZ2 LYS S 14 32.044 10.417 5.221 1.00 0.00 H new ATOM 0 HZ3 LYS S 14 31.313 9.726 3.853 1.00 0.00 H new ATOM 209 N ASP S 15 29.608 10.628 8.269 1.00 0.00 N ATOM 210 CA ASP S 15 29.024 9.259 8.298 1.00 0.00 C ATOM 211 C ASP S 15 27.706 9.258 9.085 1.00 0.00 C ATOM 212 O ASP S 15 26.702 8.757 8.614 1.00 0.00 O ATOM 213 CB ASP S 15 30.071 8.396 9.004 1.00 0.00 C ATOM 214 CG ASP S 15 29.647 6.928 8.945 1.00 0.00 C ATOM 215 OD1 ASP S 15 29.103 6.530 7.929 1.00 0.00 O ATOM 216 OD2 ASP S 15 29.874 6.227 9.916 1.00 0.00 O ATOM 0 H ASP S 15 30.473 10.743 8.796 1.00 0.00 H new ATOM 0 HA ASP S 15 28.796 8.888 7.299 1.00 0.00 H new ATOM 0 HB2 ASP S 15 31.043 8.524 8.529 1.00 0.00 H new ATOM 0 HB3 ASP S 15 30.179 8.713 10.041 1.00 0.00 H new ATOM 221 N LEU S 16 27.680 9.817 10.274 1.00 0.00 N ATOM 222 CA LEU S 16 26.400 9.822 11.031 1.00 0.00 C ATOM 223 C LEU S 16 25.348 10.617 10.251 1.00 0.00 C ATOM 224 O LEU S 16 24.214 10.193 10.113 1.00 0.00 O ATOM 225 CB LEU S 16 26.657 10.457 12.420 1.00 0.00 C ATOM 226 CG LEU S 16 27.751 11.534 12.408 1.00 0.00 C ATOM 227 CD1 LEU S 16 27.198 12.815 13.027 1.00 0.00 C ATOM 228 CD2 LEU S 16 28.935 11.069 13.261 1.00 0.00 C ATOM 0 H LEU S 16 28.473 10.259 10.739 1.00 0.00 H new ATOM 0 HA LEU S 16 26.027 8.807 11.164 1.00 0.00 H new ATOM 0 HB2 LEU S 16 25.730 10.897 12.787 1.00 0.00 H new ATOM 0 HB3 LEU S 16 26.938 9.673 13.123 1.00 0.00 H new ATOM 0 HG LEU S 16 28.071 11.710 11.381 1.00 0.00 H new ATOM 0 HD11 LEU S 16 27.970 13.584 13.022 1.00 0.00 H new ATOM 0 HD12 LEU S 16 26.340 13.158 12.448 1.00 0.00 H new ATOM 0 HD13 LEU S 16 26.888 12.619 14.054 1.00 0.00 H new ATOM 0 HD21 LEU S 16 29.712 11.833 13.253 1.00 0.00 H new ATOM 0 HD22 LEU S 16 28.602 10.901 14.285 1.00 0.00 H new ATOM 0 HD23 LEU S 16 29.335 10.141 12.853 1.00 0.00 H new ATOM 240 N LEU S 17 25.705 11.755 9.718 1.00 0.00 N ATOM 241 CA LEU S 17 24.706 12.539 8.941 1.00 0.00 C ATOM 242 C LEU S 17 24.388 11.831 7.629 1.00 0.00 C ATOM 243 O LEU S 17 23.265 11.858 7.161 1.00 0.00 O ATOM 244 CB LEU S 17 25.362 13.897 8.729 1.00 0.00 C ATOM 245 CG LEU S 17 24.953 14.810 9.887 1.00 0.00 C ATOM 246 CD1 LEU S 17 25.332 16.248 9.582 1.00 0.00 C ATOM 247 CD2 LEU S 17 23.449 14.737 10.165 1.00 0.00 C ATOM 0 H LEU S 17 26.634 12.171 9.786 1.00 0.00 H new ATOM 0 HA LEU S 17 23.750 12.645 9.453 1.00 0.00 H new ATOM 0 HB2 LEU S 17 26.446 13.794 8.691 1.00 0.00 H new ATOM 0 HB3 LEU S 17 25.049 14.326 7.777 1.00 0.00 H new ATOM 0 HG LEU S 17 25.484 14.464 10.773 1.00 0.00 H new ATOM 0 HD11 LEU S 17 25.035 16.887 10.414 1.00 0.00 H new ATOM 0 HD12 LEU S 17 26.410 16.317 9.438 1.00 0.00 H new ATOM 0 HD13 LEU S 17 24.823 16.574 8.675 1.00 0.00 H new ATOM 0 HD21 LEU S 17 23.200 15.399 10.994 1.00 0.00 H new ATOM 0 HD22 LEU S 17 22.899 15.046 9.276 1.00 0.00 H new ATOM 0 HD23 LEU S 17 23.176 13.714 10.424 1.00 0.00 H new ATOM 259 N THR S 18 25.343 11.166 7.048 1.00 0.00 N ATOM 260 CA THR S 18 25.042 10.431 5.795 1.00 0.00 C ATOM 261 C THR S 18 23.939 9.427 6.118 1.00 0.00 C ATOM 262 O THR S 18 22.990 9.260 5.378 1.00 0.00 O ATOM 263 CB THR S 18 26.340 9.717 5.417 1.00 0.00 C ATOM 264 OG1 THR S 18 27.243 10.653 4.846 1.00 0.00 O ATOM 265 CG2 THR S 18 26.040 8.611 4.404 1.00 0.00 C ATOM 0 H THR S 18 26.305 11.100 7.381 1.00 0.00 H new ATOM 0 HA THR S 18 24.709 11.068 4.976 1.00 0.00 H new ATOM 0 HB THR S 18 26.787 9.277 6.309 1.00 0.00 H new ATOM 0 HG1 THR S 18 27.548 11.277 5.537 1.00 0.00 H new ATOM 0 HG21 THR S 18 26.966 8.103 4.135 1.00 0.00 H new ATOM 0 HG22 THR S 18 25.347 7.894 4.843 1.00 0.00 H new ATOM 0 HG23 THR S 18 25.593 9.047 3.511 1.00 0.00 H new ATOM 273 N LYS S 19 24.048 8.784 7.252 1.00 0.00 N ATOM 274 CA LYS S 19 22.996 7.818 7.670 1.00 0.00 C ATOM 275 C LYS S 19 21.797 8.586 8.235 1.00 0.00 C ATOM 276 O LYS S 19 20.713 8.056 8.369 1.00 0.00 O ATOM 277 CB LYS S 19 23.648 6.959 8.755 1.00 0.00 C ATOM 278 CG LYS S 19 23.701 5.502 8.290 1.00 0.00 C ATOM 279 CD LYS S 19 22.748 4.659 9.140 1.00 0.00 C ATOM 280 CE LYS S 19 23.188 4.712 10.604 1.00 0.00 C ATOM 281 NZ LYS S 19 23.854 3.404 10.854 1.00 0.00 N ATOM 0 H LYS S 19 24.824 8.889 7.906 1.00 0.00 H new ATOM 0 HA LYS S 19 22.633 7.207 6.843 1.00 0.00 H new ATOM 0 HB2 LYS S 19 24.654 7.322 8.965 1.00 0.00 H new ATOM 0 HB3 LYS S 19 23.082 7.035 9.683 1.00 0.00 H new ATOM 0 HG2 LYS S 19 23.423 5.435 7.238 1.00 0.00 H new ATOM 0 HG3 LYS S 19 24.718 5.119 8.376 1.00 0.00 H new ATOM 0 HD2 LYS S 19 21.729 5.033 9.042 1.00 0.00 H new ATOM 0 HD3 LYS S 19 22.745 3.628 8.787 1.00 0.00 H new ATOM 0 HE2 LYS S 19 23.871 5.543 10.781 1.00 0.00 H new ATOM 0 HE3 LYS S 19 22.335 4.854 11.268 1.00 0.00 H new ATOM 0 HZ1 LYS S 19 24.184 3.365 11.840 1.00 0.00 H new ATOM 0 HZ2 LYS S 19 23.178 2.632 10.684 1.00 0.00 H new ATOM 0 HZ3 LYS S 19 24.666 3.300 10.213 1.00 0.00 H new ATOM 295 N ARG S 20 21.989 9.839 8.573 1.00 0.00 N ATOM 296 CA ARG S 20 20.863 10.645 9.136 1.00 0.00 C ATOM 297 C ARG S 20 20.049 11.285 8.007 1.00 0.00 C ATOM 298 O ARG S 20 19.093 11.995 8.248 1.00 0.00 O ATOM 299 CB ARG S 20 21.537 11.736 9.979 1.00 0.00 C ATOM 300 CG ARG S 20 20.774 11.918 11.291 1.00 0.00 C ATOM 301 CD ARG S 20 21.169 13.254 11.926 1.00 0.00 C ATOM 302 NE ARG S 20 20.174 13.474 13.010 1.00 0.00 N ATOM 303 CZ ARG S 20 20.237 14.551 13.745 1.00 0.00 C ATOM 304 NH1 ARG S 20 21.386 14.953 14.213 1.00 0.00 N ATOM 305 NH2 ARG S 20 19.151 15.224 14.010 1.00 0.00 N ATOM 0 H ARG S 20 22.875 10.336 8.483 1.00 0.00 H new ATOM 0 HA ARG S 20 20.177 10.033 9.722 1.00 0.00 H new ATOM 0 HB2 ARG S 20 22.572 11.463 10.184 1.00 0.00 H new ATOM 0 HB3 ARG S 20 21.558 12.675 9.426 1.00 0.00 H new ATOM 0 HG2 ARG S 20 19.700 11.894 11.107 1.00 0.00 H new ATOM 0 HG3 ARG S 20 20.999 11.098 11.973 1.00 0.00 H new ATOM 0 HD2 ARG S 20 22.184 13.218 12.323 1.00 0.00 H new ATOM 0 HD3 ARG S 20 21.141 14.062 11.195 1.00 0.00 H new ATOM 0 HE ARG S 20 19.443 12.783 13.179 1.00 0.00 H new ATOM 0 HH11 ARG S 20 22.234 14.426 14.005 1.00 0.00 H new ATOM 0 HH12 ARG S 20 21.437 15.794 14.787 1.00 0.00 H new ATOM 0 HH21 ARG S 20 18.253 14.909 13.643 1.00 0.00 H new ATOM 0 HH22 ARG S 20 19.200 16.066 14.584 1.00 0.00 H new ATOM 319 N ASN S 21 20.428 11.058 6.777 1.00 0.00 N ATOM 320 CA ASN S 21 19.680 11.677 5.648 1.00 0.00 C ATOM 321 C ASN S 21 19.911 13.178 5.698 1.00 0.00 C ATOM 322 O ASN S 21 19.139 13.966 5.189 1.00 0.00 O ATOM 323 CB ASN S 21 18.208 11.341 5.896 1.00 0.00 C ATOM 324 CG ASN S 21 17.584 10.808 4.606 1.00 0.00 C ATOM 325 OD1 ASN S 21 17.082 11.566 3.801 1.00 0.00 O ATOM 326 ND2 ASN S 21 17.595 9.523 4.373 1.00 0.00 N ATOM 0 H ASN S 21 21.219 10.473 6.508 1.00 0.00 H new ATOM 0 HA ASN S 21 19.996 11.315 4.670 1.00 0.00 H new ATOM 0 HB2 ASN S 21 18.122 10.598 6.689 1.00 0.00 H new ATOM 0 HB3 ASN S 21 17.673 12.229 6.232 1.00 0.00 H new ATOM 0 HD21 ASN S 21 17.182 9.157 3.515 1.00 0.00 H new ATOM 0 HD22 ASN S 21 18.017 8.886 5.049 1.00 0.00 H new ATOM 333 N LEU S 22 20.977 13.572 6.333 1.00 0.00 N ATOM 334 CA LEU S 22 21.292 15.013 6.457 1.00 0.00 C ATOM 335 C LEU S 22 22.801 15.193 6.515 1.00 0.00 C ATOM 336 O LEU S 22 23.381 15.087 7.558 1.00 0.00 O ATOM 337 CB LEU S 22 20.668 15.422 7.798 1.00 0.00 C ATOM 338 CG LEU S 22 20.794 16.939 8.044 1.00 0.00 C ATOM 339 CD1 LEU S 22 21.949 17.194 9.017 1.00 0.00 C ATOM 340 CD2 LEU S 22 21.059 17.693 6.732 1.00 0.00 C ATOM 0 H LEU S 22 21.650 12.946 6.776 1.00 0.00 H new ATOM 0 HA LEU S 22 20.917 15.606 5.623 1.00 0.00 H new ATOM 0 HB2 LEU S 22 19.616 15.137 7.812 1.00 0.00 H new ATOM 0 HB3 LEU S 22 21.156 14.880 8.608 1.00 0.00 H new ATOM 0 HG LEU S 22 19.856 17.302 8.464 1.00 0.00 H new ATOM 0 HD11 LEU S 22 22.044 18.265 9.196 1.00 0.00 H new ATOM 0 HD12 LEU S 22 21.750 16.685 9.960 1.00 0.00 H new ATOM 0 HD13 LEU S 22 22.876 16.814 8.589 1.00 0.00 H new ATOM 0 HD21 LEU S 22 21.143 18.760 6.936 1.00 0.00 H new ATOM 0 HD22 LEU S 22 21.987 17.334 6.287 1.00 0.00 H new ATOM 0 HD23 LEU S 22 20.235 17.520 6.040 1.00 0.00 H new ATOM 352 N SER S 23 23.452 15.442 5.418 1.00 0.00 N ATOM 353 CA SER S 23 24.923 15.593 5.478 1.00 0.00 C ATOM 354 C SER S 23 25.320 16.625 6.526 1.00 0.00 C ATOM 355 O SER S 23 24.507 17.079 7.298 1.00 0.00 O ATOM 356 CB SER S 23 25.348 16.055 4.100 1.00 0.00 C ATOM 357 OG SER S 23 24.360 15.683 3.148 1.00 0.00 O ATOM 0 H SER S 23 23.034 15.546 4.494 1.00 0.00 H new ATOM 0 HA SER S 23 25.405 14.656 5.758 1.00 0.00 H new ATOM 0 HB2 SER S 23 25.485 17.136 4.094 1.00 0.00 H new ATOM 0 HB3 SER S 23 26.308 15.611 3.836 1.00 0.00 H new ATOM 0 HG SER S 23 24.635 15.984 2.257 1.00 0.00 H new ATOM 363 N VAL S 24 26.568 16.991 6.563 1.00 0.00 N ATOM 364 CA VAL S 24 27.020 17.986 7.577 1.00 0.00 C ATOM 365 C VAL S 24 27.412 19.304 6.908 1.00 0.00 C ATOM 366 O VAL S 24 27.758 19.344 5.745 1.00 0.00 O ATOM 367 CB VAL S 24 28.242 17.370 8.283 1.00 0.00 C ATOM 368 CG1 VAL S 24 27.936 17.212 9.768 1.00 0.00 C ATOM 369 CG2 VAL S 24 28.586 15.996 7.702 1.00 0.00 C ATOM 0 H VAL S 24 27.296 16.646 5.937 1.00 0.00 H new ATOM 0 HA VAL S 24 26.220 18.206 8.283 1.00 0.00 H new ATOM 0 HB VAL S 24 29.093 18.035 8.132 1.00 0.00 H new ATOM 0 HG11 VAL S 24 28.798 16.776 10.273 1.00 0.00 H new ATOM 0 HG12 VAL S 24 27.718 18.188 10.200 1.00 0.00 H new ATOM 0 HG13 VAL S 24 27.073 16.558 9.894 1.00 0.00 H new ATOM 0 HG21 VAL S 24 29.453 15.588 8.222 1.00 0.00 H new ATOM 0 HG22 VAL S 24 27.737 15.324 7.829 1.00 0.00 H new ATOM 0 HG23 VAL S 24 28.813 16.096 6.641 1.00 0.00 H new ATOM 412 N LYS S 28 35.107 21.143 9.841 1.00 0.00 N ATOM 413 CA LYS S 28 34.899 20.313 11.062 1.00 0.00 C ATOM 414 C LYS S 28 33.950 21.006 12.045 1.00 0.00 C ATOM 415 O LYS S 28 33.034 20.398 12.563 1.00 0.00 O ATOM 416 CB LYS S 28 36.290 20.158 11.675 1.00 0.00 C ATOM 417 CG LYS S 28 36.162 19.608 13.096 1.00 0.00 C ATOM 418 CD LYS S 28 35.663 18.164 13.036 1.00 0.00 C ATOM 419 CE LYS S 28 34.273 18.073 13.667 1.00 0.00 C ATOM 420 NZ LYS S 28 34.462 17.248 14.893 1.00 0.00 N ATOM 0 HA LYS S 28 34.443 19.352 10.825 1.00 0.00 H new ATOM 0 HB2 LYS S 28 36.895 19.486 11.066 1.00 0.00 H new ATOM 0 HB3 LYS S 28 36.802 21.120 11.691 1.00 0.00 H new ATOM 0 HG2 LYS S 28 37.126 19.651 13.603 1.00 0.00 H new ATOM 0 HG3 LYS S 28 35.470 20.220 13.674 1.00 0.00 H new ATOM 0 HD2 LYS S 28 35.626 17.824 12.001 1.00 0.00 H new ATOM 0 HD3 LYS S 28 36.356 17.507 13.562 1.00 0.00 H new ATOM 0 HE2 LYS S 28 33.885 19.062 13.912 1.00 0.00 H new ATOM 0 HE3 LYS S 28 33.559 17.610 12.985 1.00 0.00 H new ATOM 0 HZ1 LYS S 28 33.534 17.012 15.299 1.00 0.00 H new ATOM 0 HZ2 LYS S 28 34.966 16.372 14.648 1.00 0.00 H new ATOM 0 HZ3 LYS S 28 35.018 17.784 15.590 1.00 0.00 H new ATOM 434 N ASN S 29 34.150 22.267 12.317 1.00 0.00 N ATOM 435 CA ASN S 29 33.236 22.953 13.274 1.00 0.00 C ATOM 436 C ASN S 29 31.815 22.968 12.715 1.00 0.00 C ATOM 437 O ASN S 29 30.867 22.700 13.421 1.00 0.00 O ATOM 438 CB ASN S 29 33.768 24.374 13.430 1.00 0.00 C ATOM 439 CG ASN S 29 35.290 24.340 13.576 1.00 0.00 C ATOM 440 OD1 ASN S 29 36.009 24.458 12.603 1.00 0.00 O ATOM 441 ND2 ASN S 29 35.818 24.181 14.760 1.00 0.00 N ATOM 0 H ASN S 29 34.894 22.844 11.925 1.00 0.00 H new ATOM 0 HA ASN S 29 33.203 22.442 14.236 1.00 0.00 H new ATOM 0 HB2 ASN S 29 33.489 24.974 12.564 1.00 0.00 H new ATOM 0 HB3 ASN S 29 33.319 24.847 14.304 1.00 0.00 H new ATOM 0 HD21 ASN S 29 36.832 24.156 14.867 1.00 0.00 H new ATOM 0 HD22 ASN S 29 35.216 24.082 15.578 1.00 0.00 H new ATOM 448 N GLU S 30 31.652 23.264 11.453 1.00 0.00 N ATOM 449 CA GLU S 30 30.275 23.266 10.887 1.00 0.00 C ATOM 450 C GLU S 30 29.649 21.897 11.132 1.00 0.00 C ATOM 451 O GLU S 30 28.488 21.786 11.469 1.00 0.00 O ATOM 452 CB GLU S 30 30.434 23.533 9.392 1.00 0.00 C ATOM 453 CG GLU S 30 30.671 25.027 9.167 1.00 0.00 C ATOM 454 CD GLU S 30 29.489 25.820 9.730 1.00 0.00 C ATOM 455 OE1 GLU S 30 29.522 26.138 10.908 1.00 0.00 O ATOM 456 OE2 GLU S 30 28.571 26.095 8.975 1.00 0.00 O ATOM 0 H GLU S 30 32.399 23.500 10.800 1.00 0.00 H new ATOM 0 HA GLU S 30 29.632 24.019 11.343 1.00 0.00 H new ATOM 0 HB2 GLU S 30 31.270 22.957 8.995 1.00 0.00 H new ATOM 0 HB3 GLU S 30 29.541 23.210 8.856 1.00 0.00 H new ATOM 0 HG2 GLU S 30 31.596 25.337 9.654 1.00 0.00 H new ATOM 0 HG3 GLU S 30 30.787 25.232 8.103 1.00 0.00 H new ATOM 463 N LEU S 31 30.420 20.852 10.999 1.00 0.00 N ATOM 464 CA LEU S 31 29.880 19.499 11.263 1.00 0.00 C ATOM 465 C LEU S 31 29.440 19.443 12.721 1.00 0.00 C ATOM 466 O LEU S 31 28.355 19.010 13.045 1.00 0.00 O ATOM 467 CB LEU S 31 31.066 18.562 11.020 1.00 0.00 C ATOM 468 CG LEU S 31 31.437 18.474 9.524 1.00 0.00 C ATOM 469 CD1 LEU S 31 31.058 17.089 8.991 1.00 0.00 C ATOM 470 CD2 LEU S 31 30.722 19.558 8.696 1.00 0.00 C ATOM 0 H LEU S 31 31.400 20.882 10.719 1.00 0.00 H new ATOM 0 HA LEU S 31 29.026 19.233 10.641 1.00 0.00 H new ATOM 0 HB2 LEU S 31 31.928 18.914 11.587 1.00 0.00 H new ATOM 0 HB3 LEU S 31 30.824 17.567 11.393 1.00 0.00 H new ATOM 0 HG LEU S 31 32.511 18.636 9.430 1.00 0.00 H new ATOM 0 HD11 LEU S 31 31.318 17.022 7.935 1.00 0.00 H new ATOM 0 HD12 LEU S 31 31.600 16.324 9.547 1.00 0.00 H new ATOM 0 HD13 LEU S 31 29.986 16.934 9.111 1.00 0.00 H new ATOM 0 HD21 LEU S 31 31.008 19.464 7.649 1.00 0.00 H new ATOM 0 HD22 LEU S 31 29.643 19.435 8.790 1.00 0.00 H new ATOM 0 HD23 LEU S 31 31.008 20.544 9.063 1.00 0.00 H new ATOM 482 N VAL S 32 30.278 19.912 13.600 1.00 0.00 N ATOM 483 CA VAL S 32 29.923 19.926 15.043 1.00 0.00 C ATOM 484 C VAL S 32 28.648 20.759 15.245 1.00 0.00 C ATOM 485 O VAL S 32 27.745 20.372 15.963 1.00 0.00 O ATOM 486 CB VAL S 32 31.167 20.547 15.718 1.00 0.00 C ATOM 487 CG1 VAL S 32 30.839 21.869 16.430 1.00 0.00 C ATOM 488 CG2 VAL S 32 31.724 19.555 16.741 1.00 0.00 C ATOM 0 H VAL S 32 31.200 20.289 13.379 1.00 0.00 H new ATOM 0 HA VAL S 32 29.699 18.946 15.465 1.00 0.00 H new ATOM 0 HB VAL S 32 31.900 20.760 14.940 1.00 0.00 H new ATOM 0 HG11 VAL S 32 31.743 22.269 16.890 1.00 0.00 H new ATOM 0 HG12 VAL S 32 30.453 22.586 15.706 1.00 0.00 H new ATOM 0 HG13 VAL S 32 30.089 21.691 17.200 1.00 0.00 H new ATOM 0 HG21 VAL S 32 32.602 19.984 17.223 1.00 0.00 H new ATOM 0 HG22 VAL S 32 30.964 19.343 17.493 1.00 0.00 H new ATOM 0 HG23 VAL S 32 32.003 18.630 16.236 1.00 0.00 H new ATOM 498 N GLN S 33 28.574 21.895 14.611 1.00 0.00 N ATOM 499 CA GLN S 33 27.370 22.763 14.751 1.00 0.00 C ATOM 500 C GLN S 33 26.140 22.112 14.105 1.00 0.00 C ATOM 501 O GLN S 33 25.039 22.236 14.599 1.00 0.00 O ATOM 502 CB GLN S 33 27.732 24.059 14.026 1.00 0.00 C ATOM 503 CG GLN S 33 28.370 25.037 15.015 1.00 0.00 C ATOM 504 CD GLN S 33 27.484 26.276 15.153 1.00 0.00 C ATOM 505 OE1 GLN S 33 27.101 26.876 14.168 1.00 0.00 O ATOM 506 NE2 GLN S 33 27.139 26.687 16.343 1.00 0.00 N ATOM 0 H GLN S 33 29.301 22.263 13.997 1.00 0.00 H new ATOM 0 HA GLN S 33 27.113 22.931 15.797 1.00 0.00 H new ATOM 0 HB2 GLN S 33 28.422 23.850 13.209 1.00 0.00 H new ATOM 0 HB3 GLN S 33 26.840 24.502 13.584 1.00 0.00 H new ATOM 0 HG2 GLN S 33 28.497 24.558 15.986 1.00 0.00 H new ATOM 0 HG3 GLN S 33 29.363 25.324 14.669 1.00 0.00 H new ATOM 0 HE21 GLN S 33 27.461 26.183 17.170 1.00 0.00 H new ATOM 0 HE22 GLN S 33 26.548 27.512 16.446 1.00 0.00 H new ATOM 515 N ARG S 34 26.306 21.436 12.996 1.00 0.00 N ATOM 516 CA ARG S 34 25.121 20.814 12.335 1.00 0.00 C ATOM 517 C ARG S 34 24.589 19.639 13.162 1.00 0.00 C ATOM 518 O ARG S 34 23.401 19.504 13.355 1.00 0.00 O ATOM 519 CB ARG S 34 25.615 20.314 10.967 1.00 0.00 C ATOM 520 CG ARG S 34 24.598 19.310 10.403 1.00 0.00 C ATOM 521 CD ARG S 34 24.408 19.533 8.898 1.00 0.00 C ATOM 522 NE ARG S 34 23.510 20.717 8.798 1.00 0.00 N ATOM 523 CZ ARG S 34 22.816 20.921 7.711 1.00 0.00 C ATOM 524 NH1 ARG S 34 21.526 20.733 7.717 1.00 0.00 N ATOM 525 NH2 ARG S 34 23.413 21.315 6.620 1.00 0.00 N ATOM 0 H ARG S 34 27.199 21.290 12.525 1.00 0.00 H new ATOM 0 HA ARG S 34 24.306 21.531 12.236 1.00 0.00 H new ATOM 0 HB2 ARG S 34 25.736 21.153 10.281 1.00 0.00 H new ATOM 0 HB3 ARG S 34 26.592 19.842 11.069 1.00 0.00 H new ATOM 0 HG2 ARG S 34 24.942 18.292 10.586 1.00 0.00 H new ATOM 0 HG3 ARG S 34 23.643 19.421 10.917 1.00 0.00 H new ATOM 0 HD2 ARG S 34 25.361 19.717 8.402 1.00 0.00 H new ATOM 0 HD3 ARG S 34 23.964 18.659 8.422 1.00 0.00 H new ATOM 0 HE ARG S 34 23.437 21.369 9.579 1.00 0.00 H new ATOM 0 HH11 ARG S 34 21.059 20.427 8.571 1.00 0.00 H new ATOM 0 HH12 ARG S 34 20.983 20.892 6.868 1.00 0.00 H new ATOM 0 HH21 ARG S 34 24.422 21.464 6.616 1.00 0.00 H new ATOM 0 HH22 ARG S 34 22.871 21.474 5.771 1.00 0.00 H new ATOM 539 N LEU S 35 25.450 18.789 13.649 1.00 0.00 N ATOM 540 CA LEU S 35 24.959 17.629 14.453 1.00 0.00 C ATOM 541 C LEU S 35 24.451 18.096 15.813 1.00 0.00 C ATOM 542 O LEU S 35 23.401 17.693 16.270 1.00 0.00 O ATOM 543 CB LEU S 35 26.146 16.690 14.669 1.00 0.00 C ATOM 544 CG LEU S 35 26.933 16.483 13.382 1.00 0.00 C ATOM 545 CD1 LEU S 35 28.296 15.879 13.710 1.00 0.00 C ATOM 546 CD2 LEU S 35 26.179 15.517 12.501 1.00 0.00 C ATOM 0 H LEU S 35 26.461 18.843 13.529 1.00 0.00 H new ATOM 0 HA LEU S 35 24.142 17.133 13.929 1.00 0.00 H new ATOM 0 HB2 LEU S 35 26.802 17.101 15.436 1.00 0.00 H new ATOM 0 HB3 LEU S 35 25.789 15.728 15.037 1.00 0.00 H new ATOM 0 HG LEU S 35 27.064 17.439 12.876 1.00 0.00 H new ATOM 0 HD11 LEU S 35 28.859 15.731 12.789 1.00 0.00 H new ATOM 0 HD12 LEU S 35 28.845 16.554 14.366 1.00 0.00 H new ATOM 0 HD13 LEU S 35 28.158 14.920 14.209 1.00 0.00 H new ATOM 0 HD21 LEU S 35 26.733 15.360 11.575 1.00 0.00 H new ATOM 0 HD22 LEU S 35 26.063 14.566 13.020 1.00 0.00 H new ATOM 0 HD23 LEU S 35 25.195 15.926 12.270 1.00 0.00 H new ATOM 558 N ILE S 36 25.207 18.927 16.475 1.00 0.00 N ATOM 559 CA ILE S 36 24.788 19.405 17.821 1.00 0.00 C ATOM 560 C ILE S 36 23.565 20.317 17.697 1.00 0.00 C ATOM 561 O ILE S 36 22.637 20.231 18.475 1.00 0.00 O ATOM 562 CB ILE S 36 26.005 20.159 18.367 1.00 0.00 C ATOM 563 CG1 ILE S 36 27.239 19.252 18.294 1.00 0.00 C ATOM 564 CG2 ILE S 36 25.764 20.544 19.826 1.00 0.00 C ATOM 565 CD1 ILE S 36 28.494 20.075 18.581 1.00 0.00 C ATOM 0 H ILE S 36 26.098 19.296 16.141 1.00 0.00 H new ATOM 0 HA ILE S 36 24.495 18.593 18.487 1.00 0.00 H new ATOM 0 HB ILE S 36 26.164 21.058 17.772 1.00 0.00 H new ATOM 0 HG12 ILE S 36 27.150 18.441 19.016 1.00 0.00 H new ATOM 0 HG13 ILE S 36 27.309 18.794 17.307 1.00 0.00 H new ATOM 0 HG21 ILE S 36 26.632 21.080 20.209 1.00 0.00 H new ATOM 0 HG22 ILE S 36 24.884 21.184 19.893 1.00 0.00 H new ATOM 0 HG23 ILE S 36 25.603 19.643 20.418 1.00 0.00 H new ATOM 0 HD11 ILE S 36 29.371 19.430 18.529 1.00 0.00 H new ATOM 0 HD12 ILE S 36 28.584 20.871 17.842 1.00 0.00 H new ATOM 0 HD13 ILE S 36 28.423 20.512 19.577 1.00 0.00 H new ATOM 577 N LYS S 37 23.546 21.174 16.715 1.00 0.00 N ATOM 578 CA LYS S 37 22.366 22.068 16.539 1.00 0.00 C ATOM 579 C LYS S 37 21.166 21.249 16.056 1.00 0.00 C ATOM 580 O LYS S 37 20.044 21.466 16.470 1.00 0.00 O ATOM 581 CB LYS S 37 22.788 23.083 15.477 1.00 0.00 C ATOM 582 CG LYS S 37 21.698 24.145 15.325 1.00 0.00 C ATOM 583 CD LYS S 37 22.103 25.137 14.232 1.00 0.00 C ATOM 584 CE LYS S 37 21.402 26.476 14.473 1.00 0.00 C ATOM 585 NZ LYS S 37 19.966 26.215 14.176 1.00 0.00 N ATOM 0 H LYS S 37 24.292 21.295 16.030 1.00 0.00 H new ATOM 0 HA LYS S 37 22.071 22.557 17.467 1.00 0.00 H new ATOM 0 HB2 LYS S 37 23.730 23.552 15.761 1.00 0.00 H new ATOM 0 HB3 LYS S 37 22.956 22.580 14.525 1.00 0.00 H new ATOM 0 HG2 LYS S 37 20.749 23.674 15.070 1.00 0.00 H new ATOM 0 HG3 LYS S 37 21.550 24.668 16.270 1.00 0.00 H new ATOM 0 HD2 LYS S 37 23.184 25.275 14.234 1.00 0.00 H new ATOM 0 HD3 LYS S 37 21.833 24.744 13.252 1.00 0.00 H new ATOM 0 HE2 LYS S 37 21.538 26.814 15.500 1.00 0.00 H new ATOM 0 HE3 LYS S 37 21.804 27.255 13.825 1.00 0.00 H new ATOM 0 HZ1 LYS S 37 19.467 27.119 14.052 1.00 0.00 H new ATOM 0 HZ2 LYS S 37 19.888 25.654 13.304 1.00 0.00 H new ATOM 0 HZ3 LYS S 37 19.538 25.689 14.965 1.00 0.00 H new ATOM 599 N ASP S 38 21.398 20.305 15.181 1.00 0.00 N ATOM 600 CA ASP S 38 20.276 19.465 14.669 1.00 0.00 C ATOM 601 C ASP S 38 19.793 18.509 15.762 1.00 0.00 C ATOM 602 O ASP S 38 18.612 18.379 16.010 1.00 0.00 O ATOM 603 CB ASP S 38 20.872 18.682 13.496 1.00 0.00 C ATOM 604 CG ASP S 38 21.067 19.620 12.304 1.00 0.00 C ATOM 605 OD1 ASP S 38 21.403 20.772 12.531 1.00 0.00 O ATOM 606 OD2 ASP S 38 20.879 19.173 11.185 1.00 0.00 O ATOM 0 H ASP S 38 22.317 20.080 14.799 1.00 0.00 H new ATOM 0 HA ASP S 38 19.416 20.062 14.366 1.00 0.00 H new ATOM 0 HB2 ASP S 38 21.826 18.242 13.786 1.00 0.00 H new ATOM 0 HB3 ASP S 38 20.212 17.859 13.221 1.00 0.00 H new ATOM 611 N ASP S 39 20.701 17.840 16.419 1.00 0.00 N ATOM 612 CA ASP S 39 20.297 16.895 17.498 1.00 0.00 C ATOM 613 C ASP S 39 19.691 17.672 18.672 1.00 0.00 C ATOM 614 O ASP S 39 18.870 17.163 19.407 1.00 0.00 O ATOM 615 CB ASP S 39 21.592 16.188 17.914 1.00 0.00 C ATOM 616 CG ASP S 39 21.425 15.579 19.307 1.00 0.00 C ATOM 617 OD1 ASP S 39 21.540 16.315 20.272 1.00 0.00 O ATOM 618 OD2 ASP S 39 21.184 14.385 19.384 1.00 0.00 O ATOM 0 H ASP S 39 21.705 17.907 16.255 1.00 0.00 H new ATOM 0 HA ASP S 39 19.541 16.182 17.169 1.00 0.00 H new ATOM 0 HB2 ASP S 39 21.839 15.408 17.193 1.00 0.00 H new ATOM 0 HB3 ASP S 39 22.420 16.897 17.914 1.00 0.00 H new