USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 278 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 : A 5 TYR OH : rot -23:sc= 0.511 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 162:sc= -1.59! USER MOD Single : A 12 GLN :FLIP amide:sc= -0.652 F(o=-1.6,f=-0.65) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00598) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -101:sc= 1.23 (180deg=-0.544) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.19 F(o=-2.1,f=-1.2) USER MOD Single : A 33 GLN : amide:sc= -0.957 X(o=-0.96,f=-0.5) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N TYR A 5 1.952 -6.707 -2.930 1.00 0.00 N ATOM 43 CA TYR A 5 2.814 -5.568 -2.640 1.00 0.00 C ATOM 44 C TYR A 5 3.974 -5.977 -1.744 1.00 0.00 C ATOM 45 O TYR A 5 5.031 -5.345 -1.749 1.00 0.00 O ATOM 46 CB TYR A 5 2.020 -4.453 -1.966 1.00 0.00 C ATOM 47 CG TYR A 5 0.749 -4.086 -2.685 1.00 0.00 C ATOM 48 CD1 TYR A 5 -0.462 -4.677 -2.349 1.00 0.00 C ATOM 49 CD2 TYR A 5 0.755 -3.125 -3.685 1.00 0.00 C ATOM 50 CE1 TYR A 5 -1.628 -4.325 -2.992 1.00 0.00 C ATOM 51 CE2 TYR A 5 -0.403 -2.769 -4.335 1.00 0.00 C ATOM 52 CZ TYR A 5 -1.596 -3.371 -3.988 1.00 0.00 C ATOM 53 OH TYR A 5 -2.757 -3.013 -4.634 1.00 0.00 O ATOM 0 HA TYR A 5 3.212 -5.204 -3.587 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.775 -4.759 -0.949 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.651 -3.567 -1.889 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.490 -5.425 -1.571 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.685 -2.648 -3.958 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.562 -4.793 -2.718 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.380 -2.021 -5.114 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.411 -3.739 -4.558 1.00 0.00 H new ATOM 63 N SER A 6 3.767 -7.038 -0.973 1.00 0.00 N ATOM 64 CA SER A 6 4.790 -7.540 -0.069 1.00 0.00 C ATOM 65 C SER A 6 6.118 -7.735 -0.801 1.00 0.00 C ATOM 66 O SER A 6 7.186 -7.697 -0.190 1.00 0.00 O ATOM 67 CB SER A 6 4.317 -8.851 0.560 1.00 0.00 C ATOM 68 OG SER A 6 4.689 -9.967 -0.231 1.00 0.00 O ATOM 0 H SER A 6 2.896 -7.568 -0.957 1.00 0.00 H new ATOM 0 HA SER A 6 4.955 -6.807 0.720 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.743 -8.952 1.558 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.233 -8.830 0.677 1.00 0.00 H new ATOM 0 HG SER A 6 4.375 -10.791 0.197 1.00 0.00 H new ATOM 74 N SER A 7 6.041 -7.928 -2.116 1.00 0.00 N ATOM 75 CA SER A 7 7.234 -8.110 -2.936 1.00 0.00 C ATOM 76 C SER A 7 7.608 -6.805 -3.638 1.00 0.00 C ATOM 77 O SER A 7 8.770 -6.583 -3.978 1.00 0.00 O ATOM 78 CB SER A 7 7.004 -9.214 -3.970 1.00 0.00 C ATOM 79 OG SER A 7 8.226 -9.622 -4.560 1.00 0.00 O ATOM 0 H SER A 7 5.164 -7.962 -2.636 1.00 0.00 H new ATOM 0 HA SER A 7 8.057 -8.402 -2.284 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.523 -10.068 -3.494 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.324 -8.856 -4.744 1.00 0.00 H new ATOM 0 HG SER A 7 8.053 -10.329 -5.216 1.00 0.00 H new ATOM 85 N LEU A 8 6.613 -5.944 -3.848 1.00 0.00 N ATOM 86 CA LEU A 8 6.830 -4.655 -4.503 1.00 0.00 C ATOM 87 C LEU A 8 7.877 -3.837 -3.751 1.00 0.00 C ATOM 88 O LEU A 8 8.590 -4.361 -2.895 1.00 0.00 O ATOM 89 CB LEU A 8 5.512 -3.875 -4.574 1.00 0.00 C ATOM 90 CG LEU A 8 4.919 -3.711 -5.976 1.00 0.00 C ATOM 91 CD1 LEU A 8 3.750 -4.660 -6.171 1.00 0.00 C ATOM 92 CD2 LEU A 8 4.477 -2.272 -6.205 1.00 0.00 C ATOM 0 H LEU A 8 5.646 -6.117 -3.573 1.00 0.00 H new ATOM 0 HA LEU A 8 7.194 -4.839 -5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.778 -4.378 -3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.672 -2.885 -4.148 1.00 0.00 H new ATOM 0 HG LEU A 8 5.691 -3.955 -6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.340 -4.531 -7.173 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.091 -5.688 -6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.978 -4.443 -5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.058 -2.175 -7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.721 -2.002 -5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.335 -1.607 -6.105 1.00 0.00 H new ATOM 104 N THR A 9 7.958 -2.548 -4.069 1.00 0.00 N ATOM 105 CA THR A 9 8.911 -1.662 -3.413 1.00 0.00 C ATOM 106 C THR A 9 8.188 -0.636 -2.553 1.00 0.00 C ATOM 107 O THR A 9 7.028 -0.306 -2.798 1.00 0.00 O ATOM 108 CB THR A 9 9.794 -0.947 -4.443 1.00 0.00 C ATOM 109 OG1 THR A 9 10.256 0.293 -3.930 1.00 0.00 O ATOM 110 CG2 THR A 9 9.092 -0.668 -5.754 1.00 0.00 C ATOM 0 H THR A 9 7.377 -2.096 -4.775 1.00 0.00 H new ATOM 0 HA THR A 9 9.547 -2.274 -2.773 1.00 0.00 H new ATOM 0 HB THR A 9 10.620 -1.632 -4.636 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.027 0.597 -4.453 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.777 -0.161 -6.433 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.768 -1.608 -6.201 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.224 -0.034 -5.574 1.00 0.00 H new ATOM 118 N VAL A 10 8.885 -0.131 -1.546 1.00 0.00 N ATOM 119 CA VAL A 10 8.319 0.861 -0.647 1.00 0.00 C ATOM 120 C VAL A 10 7.897 2.109 -1.405 1.00 0.00 C ATOM 121 O VAL A 10 6.949 2.787 -1.018 1.00 0.00 O ATOM 122 CB VAL A 10 9.330 1.273 0.437 1.00 0.00 C ATOM 123 CG1 VAL A 10 9.537 0.145 1.439 1.00 0.00 C ATOM 124 CG2 VAL A 10 10.647 1.683 -0.205 1.00 0.00 C ATOM 0 H VAL A 10 9.847 -0.394 -1.331 1.00 0.00 H new ATOM 0 HA VAL A 10 7.448 0.401 -0.180 1.00 0.00 H new ATOM 0 HB VAL A 10 8.931 2.130 0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.256 0.458 2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.588 -0.096 1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.916 -0.736 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.355 1.973 0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.052 0.845 -0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.478 2.526 -0.875 1.00 0.00 H new ATOM 134 N VAL A 11 8.613 2.411 -2.484 1.00 0.00 N ATOM 135 CA VAL A 11 8.321 3.588 -3.291 1.00 0.00 C ATOM 136 C VAL A 11 7.033 3.413 -4.082 1.00 0.00 C ATOM 137 O VAL A 11 6.205 4.321 -4.157 1.00 0.00 O ATOM 138 CB VAL A 11 9.480 3.899 -4.263 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.810 3.829 -3.536 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.475 2.944 -5.449 1.00 0.00 C ATOM 0 H VAL A 11 9.400 1.855 -2.819 1.00 0.00 H new ATOM 0 HA VAL A 11 8.200 4.424 -2.602 1.00 0.00 H new ATOM 0 HB VAL A 11 9.338 4.910 -4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.618 4.050 -4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.820 4.558 -2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.948 2.829 -3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.302 3.188 -6.116 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.586 1.920 -5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.533 3.040 -5.989 1.00 0.00 H new ATOM 150 N GLN A 12 6.869 2.236 -4.668 1.00 0.00 N ATOM 151 CA GLN A 12 5.683 1.940 -5.453 1.00 0.00 C ATOM 152 C GLN A 12 4.490 1.736 -4.541 1.00 0.00 C ATOM 153 O GLN A 12 3.378 2.156 -4.854 1.00 0.00 O ATOM 154 CB GLN A 12 5.900 0.695 -6.310 1.00 0.00 C ATOM 155 CG GLN A 12 6.845 0.918 -7.480 1.00 0.00 C ATOM 156 CD GLN A 12 7.073 -0.342 -8.291 1.00 0.00 C ATOM 157 OE1 GLN A 12 8.334 -0.632 -8.591 1.00 0.00 O flip ATOM 158 NE2 GLN A 12 6.127 -1.048 -8.645 1.00 0.00 N flip ATOM 0 H GLN A 12 7.543 1.472 -4.614 1.00 0.00 H new ATOM 0 HA GLN A 12 5.489 2.786 -6.112 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.295 -0.104 -5.682 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.937 0.354 -6.691 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.439 1.695 -8.128 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.801 1.283 -7.106 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.174 -0.788 -8.392 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.297 -1.893 -9.191 1.00 0.00 H new ATOM 167 N LEU A 13 4.735 1.084 -3.412 1.00 0.00 N ATOM 168 CA LEU A 13 3.684 0.815 -2.449 1.00 0.00 C ATOM 169 C LEU A 13 3.078 2.109 -1.922 1.00 0.00 C ATOM 170 O LEU A 13 1.866 2.303 -1.972 1.00 0.00 O ATOM 171 CB LEU A 13 4.220 -0.033 -1.294 1.00 0.00 C ATOM 172 CG LEU A 13 3.806 -1.507 -1.333 1.00 0.00 C ATOM 173 CD1 LEU A 13 4.935 -2.365 -1.877 1.00 0.00 C ATOM 174 CD2 LEU A 13 3.398 -1.987 0.051 1.00 0.00 C ATOM 0 H LEU A 13 5.654 0.733 -3.144 1.00 0.00 H new ATOM 0 HA LEU A 13 2.898 0.257 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.308 0.024 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.878 0.401 -0.354 1.00 0.00 H new ATOM 0 HG LEU A 13 2.948 -1.601 -1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.622 -3.409 -1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.183 -2.041 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.811 -2.261 -1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.108 -3.036 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.238 -1.875 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.556 -1.394 0.408 1.00 0.00 H new ATOM 186 N LYS A 14 3.921 2.996 -1.410 1.00 0.00 N ATOM 187 CA LYS A 14 3.443 4.260 -0.872 1.00 0.00 C ATOM 188 C LYS A 14 2.955 5.191 -1.980 1.00 0.00 C ATOM 189 O LYS A 14 2.047 5.992 -1.766 1.00 0.00 O ATOM 190 CB LYS A 14 4.536 4.943 -0.058 1.00 0.00 C ATOM 191 CG LYS A 14 5.715 5.410 -0.891 1.00 0.00 C ATOM 192 CD LYS A 14 6.722 6.195 -0.060 1.00 0.00 C ATOM 193 CE LYS A 14 6.043 7.252 0.801 1.00 0.00 C ATOM 194 NZ LYS A 14 6.832 8.513 0.858 1.00 0.00 N ATOM 0 H LYS A 14 4.931 2.864 -1.356 1.00 0.00 H new ATOM 0 HA LYS A 14 2.598 4.041 -0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.108 5.800 0.462 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.893 4.252 0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.208 4.547 -1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.357 6.033 -1.711 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.280 5.510 0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.444 6.674 -0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.051 7.462 0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.905 6.864 1.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.336 9.206 1.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.770 8.318 1.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.942 8.897 -0.102 1.00 0.00 H new ATOM 208 N ASP A 15 3.552 5.083 -3.166 1.00 0.00 N ATOM 209 CA ASP A 15 3.153 5.925 -4.288 1.00 0.00 C ATOM 210 C ASP A 15 1.722 5.599 -4.702 1.00 0.00 C ATOM 211 O ASP A 15 0.862 6.482 -4.794 1.00 0.00 O ATOM 212 CB ASP A 15 4.106 5.724 -5.470 1.00 0.00 C ATOM 213 CG ASP A 15 3.744 6.589 -6.661 1.00 0.00 C ATOM 214 OD1 ASP A 15 4.565 7.452 -7.039 1.00 0.00 O ATOM 215 OD2 ASP A 15 2.642 6.404 -7.217 1.00 0.00 O ATOM 0 H ASP A 15 4.306 4.427 -3.372 1.00 0.00 H new ATOM 0 HA ASP A 15 3.201 6.969 -3.978 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.124 5.953 -5.155 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.093 4.676 -5.769 1.00 0.00 H new ATOM 220 N LEU A 16 1.463 4.319 -4.918 1.00 0.00 N ATOM 221 CA LEU A 16 0.135 3.874 -5.286 1.00 0.00 C ATOM 222 C LEU A 16 -0.811 4.106 -4.116 1.00 0.00 C ATOM 223 O LEU A 16 -2.001 4.370 -4.299 1.00 0.00 O ATOM 224 CB LEU A 16 0.173 2.393 -5.705 1.00 0.00 C ATOM 225 CG LEU A 16 -0.391 1.379 -4.696 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.160 0.282 -5.409 1.00 0.00 C ATOM 227 CD2 LEU A 16 0.727 0.779 -3.861 1.00 0.00 C ATOM 0 H LEU A 16 2.156 3.574 -4.844 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.229 4.445 -6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.380 2.288 -6.639 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.208 2.125 -5.916 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.077 1.906 -4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.550 -0.424 -4.676 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.988 0.721 -5.966 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.495 -0.240 -6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.309 0.064 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.436 0.270 -4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.240 1.572 -3.316 1.00 0.00 H new ATOM 239 N LEU A 17 -0.260 4.002 -2.908 1.00 0.00 N ATOM 240 CA LEU A 17 -1.038 4.193 -1.696 1.00 0.00 C ATOM 241 C LEU A 17 -1.707 5.552 -1.684 1.00 0.00 C ATOM 242 O LEU A 17 -2.931 5.657 -1.592 1.00 0.00 O ATOM 243 CB LEU A 17 -0.123 4.088 -0.486 1.00 0.00 C ATOM 244 CG LEU A 17 -0.017 2.703 0.127 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.031 2.702 1.230 1.00 0.00 C ATOM 246 CD2 LEU A 17 -1.375 2.265 0.650 1.00 0.00 C ATOM 0 H LEU A 17 0.724 3.786 -2.748 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.808 3.422 -1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.875 4.417 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.477 4.780 0.278 1.00 0.00 H new ATOM 0 HG LEU A 17 0.297 1.989 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.101 1.705 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.998 2.985 0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.746 3.416 2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.293 1.271 1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.717 2.969 1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.091 2.241 -0.172 1.00 0.00 H new ATOM 258 N THR A 18 -0.898 6.597 -1.810 1.00 0.00 N ATOM 259 CA THR A 18 -1.433 7.950 -1.845 1.00 0.00 C ATOM 260 C THR A 18 -2.325 8.084 -3.066 1.00 0.00 C ATOM 261 O THR A 18 -3.305 8.829 -3.060 1.00 0.00 O ATOM 262 CB THR A 18 -0.322 9.015 -1.852 1.00 0.00 C ATOM 263 OG1 THR A 18 -0.677 10.114 -2.673 1.00 0.00 O ATOM 264 CG2 THR A 18 1.019 8.505 -2.333 1.00 0.00 C ATOM 0 H THR A 18 0.117 6.535 -1.889 1.00 0.00 H new ATOM 0 HA THR A 18 -2.013 8.123 -0.938 1.00 0.00 H new ATOM 0 HB THR A 18 -0.221 9.311 -0.808 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.044 10.778 -2.660 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.747 9.316 -2.308 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.355 7.696 -1.684 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.923 8.135 -3.354 1.00 0.00 H new ATOM 272 N LYS A 19 -1.989 7.327 -4.111 1.00 0.00 N ATOM 273 CA LYS A 19 -2.774 7.334 -5.331 1.00 0.00 C ATOM 274 C LYS A 19 -4.213 6.904 -5.035 1.00 0.00 C ATOM 275 O LYS A 19 -5.157 7.404 -5.648 1.00 0.00 O ATOM 276 CB LYS A 19 -2.148 6.404 -6.372 1.00 0.00 C ATOM 277 CG LYS A 19 -2.102 6.997 -7.770 1.00 0.00 C ATOM 278 CD LYS A 19 -0.907 6.479 -8.556 1.00 0.00 C ATOM 279 CE LYS A 19 -1.290 6.128 -9.985 1.00 0.00 C ATOM 280 NZ LYS A 19 -2.083 4.870 -10.056 1.00 0.00 N ATOM 0 H LYS A 19 -1.180 6.706 -4.131 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.786 8.347 -5.732 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.134 6.153 -6.060 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.713 5.472 -6.400 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.022 6.752 -8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.052 8.084 -7.704 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.121 7.234 -8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.499 5.598 -8.061 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.867 6.945 -10.417 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.387 6.022 -10.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.237 4.612 -11.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.566 4.106 -9.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.002 5.012 -9.589 1.00 0.00 H new ATOM 351 N SER A 23 -3.102 6.243 2.227 1.00 0.00 N ATOM 352 CA SER A 23 -1.957 6.874 2.885 1.00 0.00 C ATOM 353 C SER A 23 -0.758 5.949 2.919 1.00 0.00 C ATOM 354 O SER A 23 -0.806 4.815 2.443 1.00 0.00 O ATOM 355 CB SER A 23 -2.258 7.319 4.313 1.00 0.00 C ATOM 356 OG SER A 23 -2.906 8.580 4.336 1.00 0.00 O ATOM 0 HA SER A 23 -1.736 7.757 2.286 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.887 6.576 4.802 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.330 7.375 4.882 1.00 0.00 H new ATOM 0 HG SER A 23 -3.087 8.838 5.264 1.00 0.00 H new ATOM 362 N VAL A 24 0.320 6.463 3.487 1.00 0.00 N ATOM 363 CA VAL A 24 1.560 5.726 3.599 1.00 0.00 C ATOM 364 C VAL A 24 2.147 5.840 5.005 1.00 0.00 C ATOM 365 O VAL A 24 3.208 5.285 5.286 1.00 0.00 O ATOM 366 CB VAL A 24 2.575 6.251 2.575 1.00 0.00 C ATOM 367 CG1 VAL A 24 1.899 6.433 1.228 1.00 0.00 C ATOM 368 CG2 VAL A 24 3.176 7.564 3.053 1.00 0.00 C ATOM 0 H VAL A 24 0.357 7.403 3.882 1.00 0.00 H new ATOM 0 HA VAL A 24 1.346 4.676 3.400 1.00 0.00 H new ATOM 0 HB VAL A 24 3.381 5.525 2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.624 6.806 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.505 5.476 0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.082 7.148 1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.894 7.925 2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.384 8.302 3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.681 7.407 4.006 1.00 0.00 H new ATOM 378 N GLY A 25 1.453 6.556 5.887 1.00 0.00 N ATOM 379 CA GLY A 25 1.926 6.709 7.248 1.00 0.00 C ATOM 380 C GLY A 25 1.813 5.416 8.026 1.00 0.00 C ATOM 381 O GLY A 25 1.099 5.339 9.026 1.00 0.00 O ATOM 0 H GLY A 25 0.574 7.031 5.682 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.965 7.038 7.238 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.350 7.487 7.749 1.00 0.00 H new ATOM 385 N GLY A 26 2.515 4.394 7.553 1.00 0.00 N ATOM 386 CA GLY A 26 2.484 3.103 8.199 1.00 0.00 C ATOM 387 C GLY A 26 3.775 2.341 7.986 1.00 0.00 C ATOM 388 O GLY A 26 4.691 2.425 8.801 1.00 0.00 O ATOM 0 H GLY A 26 3.109 4.441 6.725 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.310 3.234 9.267 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.649 2.521 7.810 1.00 0.00 H new ATOM 392 N LEU A 27 3.841 1.596 6.883 1.00 0.00 N ATOM 393 CA LEU A 27 5.019 0.807 6.541 1.00 0.00 C ATOM 394 C LEU A 27 4.712 -0.139 5.388 1.00 0.00 C ATOM 395 O LEU A 27 3.554 -0.379 5.074 1.00 0.00 O ATOM 396 CB LEU A 27 5.492 0.007 7.751 1.00 0.00 C ATOM 397 CG LEU A 27 6.941 0.253 8.164 1.00 0.00 C ATOM 398 CD1 LEU A 27 7.894 -0.339 7.138 1.00 0.00 C ATOM 399 CD2 LEU A 27 7.213 1.744 8.341 1.00 0.00 C ATOM 0 H LEU A 27 3.082 1.524 6.206 1.00 0.00 H new ATOM 0 HA LEU A 27 5.810 1.491 6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.845 0.240 8.597 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.367 -1.054 7.537 1.00 0.00 H new ATOM 0 HG LEU A 27 7.107 -0.240 9.122 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.923 -0.155 7.448 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.725 -1.413 7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.719 0.126 6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.252 1.892 8.635 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.025 2.262 7.401 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.557 2.144 9.114 1.00 0.00 H new ATOM 411 N LYS A 28 5.756 -0.670 4.760 1.00 0.00 N ATOM 412 CA LYS A 28 5.588 -1.587 3.636 1.00 0.00 C ATOM 413 C LYS A 28 4.607 -2.712 3.969 1.00 0.00 C ATOM 414 O LYS A 28 3.592 -2.877 3.295 1.00 0.00 O ATOM 415 CB LYS A 28 6.940 -2.179 3.232 1.00 0.00 C ATOM 416 CG LYS A 28 7.054 -2.480 1.745 1.00 0.00 C ATOM 417 CD LYS A 28 8.354 -3.200 1.421 1.00 0.00 C ATOM 418 CE LYS A 28 8.811 -2.913 0.001 1.00 0.00 C ATOM 419 NZ LYS A 28 9.732 -3.965 -0.510 1.00 0.00 N ATOM 0 H LYS A 28 6.727 -0.482 5.009 1.00 0.00 H new ATOM 0 HA LYS A 28 5.177 -1.017 2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.731 -1.484 3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.107 -3.098 3.794 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.209 -3.093 1.431 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.001 -1.550 1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.128 -2.889 2.123 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.218 -4.274 1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.942 -2.843 -0.653 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.312 -1.946 -0.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.713 -3.626 -0.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.627 -4.826 0.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.500 -4.178 -1.501 1.00 0.00 H new ATOM 433 N ASN A 29 4.907 -3.478 5.018 1.00 0.00 N ATOM 434 CA ASN A 29 4.040 -4.581 5.425 1.00 0.00 C ATOM 435 C ASN A 29 2.618 -4.084 5.629 1.00 0.00 C ATOM 436 O ASN A 29 1.651 -4.692 5.163 1.00 0.00 O ATOM 437 CB ASN A 29 4.561 -5.221 6.714 1.00 0.00 C ATOM 438 CG ASN A 29 4.762 -4.207 7.823 1.00 0.00 C ATOM 439 OD1 ASN A 29 3.691 -3.900 8.545 1.00 0.00 O flip ATOM 440 ND2 ASN A 29 5.868 -3.706 8.029 1.00 0.00 N flip ATOM 0 H ASN A 29 5.738 -3.356 5.597 1.00 0.00 H new ATOM 0 HA ASN A 29 4.042 -5.332 4.635 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.858 -5.985 7.047 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.506 -5.724 6.510 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.664 -3.971 7.449 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.988 -3.026 8.780 1.00 0.00 H new ATOM 447 N GLU A 30 2.504 -2.959 6.311 1.00 0.00 N ATOM 448 CA GLU A 30 1.220 -2.351 6.567 1.00 0.00 C ATOM 449 C GLU A 30 0.646 -1.780 5.270 1.00 0.00 C ATOM 450 O GLU A 30 -0.570 -1.710 5.095 1.00 0.00 O ATOM 451 CB GLU A 30 1.378 -1.306 7.673 1.00 0.00 C ATOM 452 CG GLU A 30 1.316 0.131 7.211 1.00 0.00 C ATOM 453 CD GLU A 30 -0.079 0.709 7.309 1.00 0.00 C ATOM 454 OE1 GLU A 30 -0.289 1.624 8.133 1.00 0.00 O ATOM 455 OE2 GLU A 30 -0.968 0.243 6.565 1.00 0.00 O ATOM 0 H GLU A 30 3.296 -2.447 6.699 1.00 0.00 H new ATOM 0 HA GLU A 30 0.501 -3.091 6.919 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.598 -1.466 8.417 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.333 -1.470 8.172 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.999 0.733 7.811 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.660 0.193 6.179 1.00 0.00 H new ATOM 462 N TRP A 31 1.536 -1.393 4.354 1.00 0.00 N ATOM 463 CA TRP A 31 1.119 -0.853 3.068 1.00 0.00 C ATOM 464 C TRP A 31 0.452 -1.944 2.246 1.00 0.00 C ATOM 465 O TRP A 31 -0.645 -1.758 1.726 1.00 0.00 O ATOM 466 CB TRP A 31 2.316 -0.253 2.318 1.00 0.00 C ATOM 467 CG TRP A 31 2.802 1.020 2.941 1.00 0.00 C ATOM 468 CD1 TRP A 31 2.164 1.731 3.913 1.00 0.00 C ATOM 469 CD2 TRP A 31 4.020 1.729 2.658 1.00 0.00 C ATOM 470 NE1 TRP A 31 2.897 2.838 4.248 1.00 0.00 N ATOM 471 CE2 TRP A 31 4.041 2.858 3.499 1.00 0.00 C ATOM 472 CE3 TRP A 31 5.094 1.528 1.781 1.00 0.00 C ATOM 473 CZ2 TRP A 31 5.084 3.773 3.494 1.00 0.00 C ATOM 474 CZ3 TRP A 31 6.131 2.443 1.780 1.00 0.00 C ATOM 475 CH2 TRP A 31 6.122 3.551 2.632 1.00 0.00 C ATOM 0 H TRP A 31 2.547 -1.445 4.483 1.00 0.00 H new ATOM 0 HA TRP A 31 0.399 -0.052 3.236 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.129 -0.978 2.299 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.034 -0.063 1.282 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.217 1.460 4.355 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.632 3.535 4.944 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.112 0.675 1.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.076 4.632 4.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.964 2.299 1.108 1.00 0.00 H new ATOM 0 HH2 TRP A 31 6.950 4.244 2.609 1.00 0.00 H new ATOM 486 N VAL A 32 1.104 -3.100 2.157 1.00 0.00 N ATOM 487 CA VAL A 32 0.543 -4.225 1.423 1.00 0.00 C ATOM 488 C VAL A 32 -0.767 -4.656 2.072 1.00 0.00 C ATOM 489 O VAL A 32 -1.714 -5.045 1.389 1.00 0.00 O ATOM 490 CB VAL A 32 1.515 -5.425 1.361 1.00 0.00 C ATOM 491 CG1 VAL A 32 1.876 -5.911 2.756 1.00 0.00 C ATOM 492 CG2 VAL A 32 0.921 -6.558 0.532 1.00 0.00 C ATOM 0 H VAL A 32 2.014 -3.280 2.581 1.00 0.00 H new ATOM 0 HA VAL A 32 0.365 -3.896 0.399 1.00 0.00 H new ATOM 0 HB VAL A 32 2.431 -5.089 0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.561 -6.756 2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.355 -5.104 3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.971 -6.223 3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.622 -7.392 0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.015 -6.887 0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.731 -6.206 -0.482 1.00 0.00 H new ATOM 502 N GLN A 33 -0.817 -4.566 3.399 1.00 0.00 N ATOM 503 CA GLN A 33 -2.015 -4.930 4.144 1.00 0.00 C ATOM 504 C GLN A 33 -3.159 -3.968 3.829 1.00 0.00 C ATOM 505 O GLN A 33 -4.263 -4.394 3.491 1.00 0.00 O ATOM 506 CB GLN A 33 -1.728 -4.926 5.648 1.00 0.00 C ATOM 507 CG GLN A 33 -0.972 -6.156 6.124 1.00 0.00 C ATOM 508 CD GLN A 33 -1.653 -7.450 5.727 1.00 0.00 C ATOM 509 OE1 GLN A 33 -2.509 -7.962 6.448 1.00 0.00 O ATOM 510 NE2 GLN A 33 -1.277 -7.987 4.572 1.00 0.00 N ATOM 0 H GLN A 33 -0.041 -4.244 3.978 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.312 -5.935 3.843 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.151 -4.035 5.897 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.671 -4.857 6.190 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.037 -6.140 5.712 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.874 -6.120 7.209 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.563 -7.529 4.005 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.702 -8.857 4.252 1.00 0.00 H new ATOM 519 N ARG A 34 -2.888 -2.667 3.936 1.00 0.00 N ATOM 520 CA ARG A 34 -3.902 -1.654 3.655 1.00 0.00 C ATOM 521 C ARG A 34 -4.306 -1.693 2.183 1.00 0.00 C ATOM 522 O ARG A 34 -5.482 -1.553 1.850 1.00 0.00 O ATOM 523 CB ARG A 34 -3.401 -0.258 4.035 1.00 0.00 C ATOM 524 CG ARG A 34 -2.236 0.224 3.201 1.00 0.00 C ATOM 525 CD ARG A 34 -1.958 1.692 3.460 1.00 0.00 C ATOM 526 NE ARG A 34 -1.845 1.989 4.884 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.431 3.027 5.481 1.00 0.00 C ATOM 528 NH1 ARG A 34 -3.164 3.886 4.783 1.00 0.00 N ATOM 529 NH2 ARG A 34 -2.276 3.211 6.785 1.00 0.00 N ATOM 0 H ARG A 34 -1.981 -2.293 4.213 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.779 -1.877 4.262 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.223 0.451 3.937 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.107 -0.262 5.084 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.349 -0.365 3.433 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.452 0.071 2.144 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.035 1.980 2.956 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.758 2.293 3.028 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.282 1.363 5.459 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.284 3.756 3.778 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.607 4.676 5.251 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.710 2.559 7.328 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.723 4.004 7.245 1.00 0.00 H new ATOM 543 N LEU A 35 -3.326 -1.899 1.304 1.00 0.00 N ATOM 544 CA LEU A 35 -3.592 -1.973 -0.128 1.00 0.00 C ATOM 545 C LEU A 35 -4.468 -3.178 -0.434 1.00 0.00 C ATOM 546 O LEU A 35 -5.507 -3.057 -1.082 1.00 0.00 O ATOM 547 CB LEU A 35 -2.285 -2.085 -0.914 1.00 0.00 C ATOM 548 CG LEU A 35 -1.401 -0.843 -0.909 1.00 0.00 C ATOM 549 CD1 LEU A 35 -0.103 -1.139 -1.630 1.00 0.00 C ATOM 550 CD2 LEU A 35 -2.112 0.327 -1.561 1.00 0.00 C ATOM 0 H LEU A 35 -2.345 -2.017 1.559 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.108 -1.061 -0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.710 -2.919 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.525 -2.334 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.184 -0.572 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.527 -0.250 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.416 -1.954 -1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.316 -1.427 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.462 1.202 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.357 0.075 -2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.029 0.547 -1.014 1.00 0.00 H new ATOM 562 N ILE A 36 -4.046 -4.341 0.055 1.00 0.00 N ATOM 563 CA ILE A 36 -4.797 -5.571 -0.150 1.00 0.00 C ATOM 564 C ILE A 36 -6.230 -5.393 0.341 1.00 0.00 C ATOM 565 O ILE A 36 -7.177 -5.890 -0.270 1.00 0.00 O ATOM 566 CB ILE A 36 -4.130 -6.759 0.580 1.00 0.00 C ATOM 567 CG1 ILE A 36 -2.827 -7.149 -0.122 1.00 0.00 C ATOM 568 CG2 ILE A 36 -5.072 -7.956 0.647 1.00 0.00 C ATOM 569 CD1 ILE A 36 -1.950 -8.064 0.704 1.00 0.00 C ATOM 0 H ILE A 36 -3.188 -4.455 0.595 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.806 -5.791 -1.217 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.902 -6.447 1.599 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.064 -7.640 -1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.269 -6.245 -0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.579 -8.778 1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.977 -7.677 1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.335 -8.269 -0.363 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.044 -8.300 0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.683 -7.567 1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.491 -8.984 0.925 1.00 0.00 H new ATOM 581 N LYS A 37 -6.379 -4.654 1.436 1.00 0.00 N ATOM 582 CA LYS A 37 -7.690 -4.378 1.995 1.00 0.00 C ATOM 583 C LYS A 37 -8.427 -3.388 1.105 1.00 0.00 C ATOM 584 O LYS A 37 -9.652 -3.427 0.990 1.00 0.00 O ATOM 585 CB LYS A 37 -7.561 -3.818 3.413 1.00 0.00 C ATOM 586 CG LYS A 37 -8.798 -4.036 4.269 1.00 0.00 C ATOM 587 CD LYS A 37 -8.692 -3.307 5.598 1.00 0.00 C ATOM 588 CE LYS A 37 -9.266 -4.134 6.738 1.00 0.00 C ATOM 589 NZ LYS A 37 -10.275 -3.372 7.525 1.00 0.00 N ATOM 0 H LYS A 37 -5.604 -4.237 1.952 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.256 -5.308 2.044 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.705 -4.283 3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.353 -2.750 3.355 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.680 -3.688 3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.934 -5.103 4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.647 -3.077 5.805 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.221 -2.356 5.535 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.726 -5.037 6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.458 -4.454 7.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.642 -3.971 8.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.830 -2.524 7.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.059 -3.088 6.903 1.00 0.00 H new ATOM 603 N ASP A 38 -7.662 -2.501 0.471 1.00 0.00 N ATOM 604 CA ASP A 38 -8.229 -1.502 -0.417 1.00 0.00 C ATOM 605 C ASP A 38 -8.813 -2.159 -1.662 1.00 0.00 C ATOM 606 O ASP A 38 -9.940 -1.867 -2.063 1.00 0.00 O ATOM 607 CB ASP A 38 -7.159 -0.484 -0.813 1.00 0.00 C ATOM 608 CG ASP A 38 -7.703 0.600 -1.724 1.00 0.00 C ATOM 609 OD1 ASP A 38 -8.251 1.593 -1.202 1.00 0.00 O ATOM 610 OD2 ASP A 38 -7.580 0.455 -2.958 1.00 0.00 O ATOM 0 H ASP A 38 -6.647 -2.458 0.560 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.032 -0.987 0.110 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.746 -0.026 0.086 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.339 -0.999 -1.314 1.00 0.00 H new ATOM 615 N ASP A 39 -8.037 -3.052 -2.268 1.00 0.00 N ATOM 616 CA ASP A 39 -8.471 -3.758 -3.467 1.00 0.00 C ATOM 617 C ASP A 39 -9.542 -4.791 -3.130 1.00 0.00 C ATOM 618 O ASP A 39 -10.392 -5.112 -3.962 1.00 0.00 O ATOM 619 CB ASP A 39 -7.279 -4.442 -4.139 1.00 0.00 C ATOM 620 CG ASP A 39 -6.459 -3.481 -4.976 1.00 0.00 C ATOM 621 OD1 ASP A 39 -5.286 -3.798 -5.265 1.00 0.00 O ATOM 622 OD2 ASP A 39 -6.989 -2.412 -5.344 1.00 0.00 O ATOM 0 H ASP A 39 -7.102 -3.304 -1.947 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.898 -3.029 -4.156 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.642 -4.889 -3.376 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.638 -5.254 -4.771 1.00 0.00 H new ATOM 627 N GLU A 40 -9.496 -5.308 -1.906 1.00 0.00 N ATOM 628 CA GLU A 40 -10.463 -6.306 -1.460 1.00 0.00 C ATOM 629 C GLU A 40 -11.814 -5.667 -1.165 1.00 0.00 C ATOM 630 O GLU A 40 -12.844 -6.342 -1.169 1.00 0.00 O ATOM 631 CB GLU A 40 -9.944 -7.036 -0.220 1.00 0.00 C ATOM 632 CG GLU A 40 -9.138 -8.284 -0.543 1.00 0.00 C ATOM 633 CD GLU A 40 -9.348 -9.392 0.471 1.00 0.00 C ATOM 634 OE1 GLU A 40 -8.436 -9.627 1.291 1.00 0.00 O ATOM 635 OE2 GLU A 40 -10.424 -10.024 0.444 1.00 0.00 O ATOM 0 H GLU A 40 -8.800 -5.053 -1.205 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.596 -7.028 -2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.324 -6.353 0.361 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.790 -7.312 0.410 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.416 -8.645 -1.533 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.079 -8.028 -0.582 1.00 0.00 H new