USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 527 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 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -1.79 X(o=-1.8,f=-1.6) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -159:sc= -0.912 USER MOD Single : A 24 THR OG1 : rot -147:sc= -0.532 USER MOD Single : A 25 MET CE :methyl -171:sc= -2.99 (180deg=-3.8!) USER MOD Single : A 26 LYS NZ :NH3+ -148:sc= -0.179 (180deg=-1.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.25 X(o=-1.2,f=-0.75) USER MOD Single : A 36 SER OG : rot 65:sc= 0.607 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -130:sc=-0.00254 (180deg=-0.774) USER MOD Single : A 43 LYS NZ :NH3+ -165:sc= -2.03 (180deg=-2.26) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.15) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0901 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.22) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.394) USER MOD ----------------------------------------------------------------- ATOM 88 N GLU A 7 -3.843 3.214 -10.436 1.00 0.00 N ATOM 89 CA GLU A 7 -3.979 4.665 -10.493 1.00 0.00 C ATOM 90 C GLU A 7 -3.359 5.319 -9.261 1.00 0.00 C ATOM 91 O GLU A 7 -3.944 5.310 -8.178 1.00 0.00 O ATOM 92 CB GLU A 7 -5.455 5.056 -10.603 1.00 0.00 C ATOM 93 CG GLU A 7 -5.972 5.084 -12.031 1.00 0.00 C ATOM 94 CD GLU A 7 -5.167 6.007 -12.925 1.00 0.00 C ATOM 95 OE1 GLU A 7 -4.432 6.861 -12.387 1.00 0.00 O ATOM 96 OE2 GLU A 7 -5.273 5.876 -14.163 1.00 0.00 O ATOM 0 HA GLU A 7 -3.449 5.020 -11.377 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.053 4.353 -10.023 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.596 6.040 -10.155 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.948 4.075 -12.442 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.014 5.403 -12.030 1.00 0.00 H new ATOM 103 N LEU A 8 -2.170 5.885 -9.436 1.00 0.00 N ATOM 104 CA LEU A 8 -1.468 6.543 -8.339 1.00 0.00 C ATOM 105 C LEU A 8 -1.682 8.053 -8.384 1.00 0.00 C ATOM 106 O LEU A 8 -1.746 8.650 -9.459 1.00 0.00 O ATOM 107 CB LEU A 8 0.028 6.227 -8.402 1.00 0.00 C ATOM 108 CG LEU A 8 0.491 5.011 -7.600 1.00 0.00 C ATOM 109 CD1 LEU A 8 0.419 5.297 -6.108 1.00 0.00 C ATOM 110 CD2 LEU A 8 -0.346 3.790 -7.952 1.00 0.00 C ATOM 0 H LEU A 8 -1.672 5.902 -10.326 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.874 6.164 -7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.303 6.075 -9.446 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.578 7.100 -8.051 1.00 0.00 H new ATOM 0 HG LEU A 8 1.529 4.802 -7.859 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.752 4.420 -5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.062 6.144 -5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.609 5.532 -5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.002 2.934 -7.372 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.393 3.988 -7.722 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.243 3.573 -9.015 1.00 0.00 H new ATOM 122 N VAL A 9 -1.792 8.665 -7.209 1.00 0.00 N ATOM 123 CA VAL A 9 -1.996 10.105 -7.114 1.00 0.00 C ATOM 124 C VAL A 9 -0.966 10.746 -6.190 1.00 0.00 C ATOM 125 O VAL A 9 -0.597 10.176 -5.163 1.00 0.00 O ATOM 126 CB VAL A 9 -3.409 10.439 -6.599 1.00 0.00 C ATOM 127 CG1 VAL A 9 -4.455 10.095 -7.648 1.00 0.00 C ATOM 128 CG2 VAL A 9 -3.687 9.706 -5.295 1.00 0.00 C ATOM 0 H VAL A 9 -1.743 8.186 -6.310 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.879 10.508 -8.120 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.463 11.510 -6.406 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.447 10.338 -7.266 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.264 10.670 -8.554 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.405 9.030 -7.876 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.689 9.953 -4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.615 8.631 -5.459 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.956 10.008 -4.545 1.00 0.00 H new ATOM 138 N LEU A 10 -0.505 11.935 -6.562 1.00 0.00 N ATOM 139 CA LEU A 10 0.483 12.656 -5.767 1.00 0.00 C ATOM 140 C LEU A 10 -0.130 13.900 -5.133 1.00 0.00 C ATOM 141 O LEU A 10 -0.927 14.599 -5.758 1.00 0.00 O ATOM 142 CB LEU A 10 1.678 13.050 -6.637 1.00 0.00 C ATOM 143 CG LEU A 10 2.807 13.798 -5.928 1.00 0.00 C ATOM 144 CD1 LEU A 10 3.721 12.822 -5.203 1.00 0.00 C ATOM 145 CD2 LEU A 10 3.599 14.635 -6.922 1.00 0.00 C ATOM 0 H LEU A 10 -0.800 12.420 -7.409 1.00 0.00 H new ATOM 0 HA LEU A 10 0.823 11.995 -4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.092 12.145 -7.082 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.316 13.671 -7.456 1.00 0.00 H new ATOM 0 HG LEU A 10 2.366 14.468 -5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.519 13.372 -4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.146 12.266 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.155 12.127 -5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.398 15.160 -6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.029 13.985 -7.684 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.937 15.360 -7.396 1.00 0.00 H new ATOM 157 N ALA A 11 0.248 14.171 -3.888 1.00 0.00 N ATOM 158 CA ALA A 11 -0.261 15.333 -3.171 1.00 0.00 C ATOM 159 C ALA A 11 0.547 16.582 -3.504 1.00 0.00 C ATOM 160 O ALA A 11 1.776 16.581 -3.414 1.00 0.00 O ATOM 161 CB ALA A 11 -0.246 15.076 -1.671 1.00 0.00 C ATOM 0 H ALA A 11 0.905 13.601 -3.355 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.290 15.503 -3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.629 15.952 -1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.874 14.214 -1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.775 14.877 -1.346 1.00 0.00 H new ATOM 167 N LEU A 12 -0.148 17.646 -3.888 1.00 0.00 N ATOM 168 CA LEU A 12 0.506 18.903 -4.236 1.00 0.00 C ATOM 169 C LEU A 12 0.507 19.862 -3.050 1.00 0.00 C ATOM 170 O LEU A 12 1.372 20.732 -2.943 1.00 0.00 O ATOM 171 CB LEU A 12 -0.195 19.553 -5.431 1.00 0.00 C ATOM 172 CG LEU A 12 -0.357 18.675 -6.672 1.00 0.00 C ATOM 173 CD1 LEU A 12 -1.567 19.114 -7.482 1.00 0.00 C ATOM 174 CD2 LEU A 12 0.902 18.719 -7.524 1.00 0.00 C ATOM 0 H LEU A 12 -1.165 17.664 -3.967 1.00 0.00 H new ATOM 0 HA LEU A 12 1.539 18.684 -4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.184 19.882 -5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.363 20.446 -5.712 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.516 17.647 -6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.666 18.478 -8.361 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.465 19.030 -6.870 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.438 20.150 -7.796 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.769 18.088 -8.403 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.092 19.745 -7.839 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.748 18.355 -6.941 1.00 0.00 H new ATOM 186 N TYR A 13 -0.465 19.696 -2.160 1.00 0.00 N ATOM 187 CA TYR A 13 -0.576 20.547 -0.982 1.00 0.00 C ATOM 188 C TYR A 13 -0.556 19.714 0.296 1.00 0.00 C ATOM 189 O TYR A 13 -0.794 18.506 0.267 1.00 0.00 O ATOM 190 CB TYR A 13 -1.861 21.375 -1.044 1.00 0.00 C ATOM 191 CG TYR A 13 -1.957 22.253 -2.271 1.00 0.00 C ATOM 192 CD1 TYR A 13 -2.380 21.735 -3.489 1.00 0.00 C ATOM 193 CD2 TYR A 13 -1.625 23.601 -2.212 1.00 0.00 C ATOM 194 CE1 TYR A 13 -2.469 22.533 -4.613 1.00 0.00 C ATOM 195 CE2 TYR A 13 -1.712 24.407 -3.331 1.00 0.00 C ATOM 196 CZ TYR A 13 -2.134 23.869 -4.529 1.00 0.00 C ATOM 197 OH TYR A 13 -2.222 24.668 -5.645 1.00 0.00 O ATOM 0 H TYR A 13 -1.187 18.980 -2.232 1.00 0.00 H new ATOM 0 HA TYR A 13 0.282 21.220 -0.969 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.718 20.702 -1.021 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.923 22.001 -0.154 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.644 20.690 -3.558 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.293 24.026 -1.276 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.799 22.114 -5.552 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.451 25.453 -3.268 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.952 25.582 -5.415 1.00 0.00 H new ATOM 207 N ASP A 14 -0.271 20.368 1.417 1.00 0.00 N ATOM 208 CA ASP A 14 -0.221 19.689 2.706 1.00 0.00 C ATOM 209 C ASP A 14 -1.619 19.553 3.303 1.00 0.00 C ATOM 210 O ASP A 14 -2.407 20.499 3.287 1.00 0.00 O ATOM 211 CB ASP A 14 0.688 20.450 3.672 1.00 0.00 C ATOM 212 CG ASP A 14 0.154 21.830 4.003 1.00 0.00 C ATOM 213 OD1 ASP A 14 -0.205 22.570 3.063 1.00 0.00 O ATOM 214 OD2 ASP A 14 0.095 22.171 5.203 1.00 0.00 O ATOM 0 H ASP A 14 -0.071 21.367 1.459 1.00 0.00 H new ATOM 0 HA ASP A 14 0.186 18.690 2.548 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.798 19.876 4.592 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.682 20.543 3.234 1.00 0.00 H new ATOM 219 N TYR A 15 -1.919 18.371 3.829 1.00 0.00 N ATOM 220 CA TYR A 15 -3.223 18.110 4.428 1.00 0.00 C ATOM 221 C TYR A 15 -3.083 17.263 5.690 1.00 0.00 C ATOM 222 O TYR A 15 -2.076 16.582 5.884 1.00 0.00 O ATOM 223 CB TYR A 15 -4.136 17.404 3.425 1.00 0.00 C ATOM 224 CG TYR A 15 -5.577 17.318 3.875 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.361 18.460 3.985 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.155 16.095 4.191 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.677 18.387 4.396 1.00 0.00 C ATOM 228 CE2 TYR A 15 -7.472 16.012 4.602 1.00 0.00 C ATOM 229 CZ TYR A 15 -8.228 17.160 4.703 1.00 0.00 C ATOM 230 OH TYR A 15 -9.540 17.082 5.113 1.00 0.00 O ATOM 0 H TYR A 15 -1.277 17.578 3.853 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.667 19.067 4.702 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.092 17.932 2.472 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.758 16.397 3.249 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.933 19.422 3.745 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.565 15.194 4.114 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.272 19.285 4.477 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -7.906 15.053 4.843 1.00 0.00 H new ATOM 0 HH TYR A 15 -9.773 16.146 5.289 1.00 0.00 H new ATOM 240 N GLN A 16 -4.101 17.311 6.543 1.00 0.00 N ATOM 241 CA GLN A 16 -4.092 16.549 7.785 1.00 0.00 C ATOM 242 C GLN A 16 -5.383 15.753 7.946 1.00 0.00 C ATOM 243 O GLN A 16 -6.402 16.079 7.338 1.00 0.00 O ATOM 244 CB GLN A 16 -3.903 17.484 8.981 1.00 0.00 C ATOM 245 CG GLN A 16 -4.776 18.728 8.924 1.00 0.00 C ATOM 246 CD GLN A 16 -6.254 18.410 9.035 1.00 0.00 C ATOM 247 OE1 GLN A 16 -6.716 17.904 10.058 1.00 0.00 O ATOM 248 NE2 GLN A 16 -7.004 18.705 7.980 1.00 0.00 N ATOM 0 H GLN A 16 -4.942 17.869 6.396 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.258 15.849 7.745 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.123 16.937 9.898 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.857 17.786 9.034 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.492 19.404 9.731 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.591 19.254 7.988 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.579 19.124 7.153 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.006 18.513 7.997 1.00 0.00 H new ATOM 257 N GLU A 17 -5.331 14.709 8.766 1.00 0.00 N ATOM 258 CA GLU A 17 -6.498 13.867 9.004 1.00 0.00 C ATOM 259 C GLU A 17 -7.188 14.250 10.310 1.00 0.00 C ATOM 260 O GLU A 17 -6.536 14.448 11.336 1.00 0.00 O ATOM 261 CB GLU A 17 -6.091 12.392 9.043 1.00 0.00 C ATOM 262 CG GLU A 17 -5.379 11.991 10.324 1.00 0.00 C ATOM 263 CD GLU A 17 -4.676 10.652 10.207 1.00 0.00 C ATOM 264 OE1 GLU A 17 -4.209 10.323 9.097 1.00 0.00 O ATOM 265 OE2 GLU A 17 -4.594 9.935 11.226 1.00 0.00 O ATOM 0 H GLU A 17 -4.495 14.426 9.276 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.199 14.022 8.184 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.981 11.775 8.924 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.441 12.181 8.194 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.650 12.758 10.585 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.102 11.948 11.139 1.00 0.00 H new ATOM 272 N LYS A 18 -8.512 14.353 10.265 1.00 0.00 N ATOM 273 CA LYS A 18 -9.293 14.712 11.443 1.00 0.00 C ATOM 274 C LYS A 18 -10.224 13.572 11.846 1.00 0.00 C ATOM 275 O LYS A 18 -10.603 13.451 13.011 1.00 0.00 O ATOM 276 CB LYS A 18 -10.108 15.979 11.173 1.00 0.00 C ATOM 277 CG LYS A 18 -11.134 15.818 10.066 1.00 0.00 C ATOM 278 CD LYS A 18 -11.998 17.060 9.921 1.00 0.00 C ATOM 279 CE LYS A 18 -12.991 17.185 11.067 1.00 0.00 C ATOM 280 NZ LYS A 18 -13.770 18.451 10.990 1.00 0.00 N ATOM 0 H LYS A 18 -9.067 14.193 9.424 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.601 14.901 12.264 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.618 16.275 12.090 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.428 16.789 10.911 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.625 15.616 9.124 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.767 14.956 10.278 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.363 17.945 9.891 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.536 17.021 8.974 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.675 16.336 11.049 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.457 17.144 12.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.435 18.498 11.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.120 19.262 11.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.300 18.479 10.096 1.00 0.00 H new ATOM 294 N SER A 19 -10.587 12.739 10.876 1.00 0.00 N ATOM 295 CA SER A 19 -11.475 11.611 11.130 1.00 0.00 C ATOM 296 C SER A 19 -10.732 10.288 10.972 1.00 0.00 C ATOM 297 O SER A 19 -9.673 10.212 10.349 1.00 0.00 O ATOM 298 CB SER A 19 -12.672 11.653 10.178 1.00 0.00 C ATOM 299 OG SER A 19 -12.720 12.881 9.473 1.00 0.00 O ATOM 0 H SER A 19 -10.280 12.824 9.907 1.00 0.00 H new ATOM 0 HA SER A 19 -11.833 11.686 12.157 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.607 10.826 9.471 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.595 11.518 10.743 1.00 0.00 H new ATOM 0 HG SER A 19 -13.629 13.031 9.139 1.00 0.00 H new ATOM 305 N PRO A 20 -11.299 9.220 11.552 1.00 0.00 N ATOM 306 CA PRO A 20 -10.708 7.879 11.490 1.00 0.00 C ATOM 307 C PRO A 20 -10.777 7.279 10.090 1.00 0.00 C ATOM 308 O PRO A 20 -10.188 6.231 9.824 1.00 0.00 O ATOM 309 CB PRO A 20 -11.568 7.068 12.463 1.00 0.00 C ATOM 310 CG PRO A 20 -12.877 7.779 12.495 1.00 0.00 C ATOM 311 CD PRO A 20 -12.560 9.237 12.311 1.00 0.00 C ATOM 0 HA PRO A 20 -9.648 7.888 11.742 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.685 6.039 12.124 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.115 7.028 13.453 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.536 7.420 11.704 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -13.391 7.608 13.441 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.350 9.754 11.766 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.446 9.747 13.268 1.00 0.00 H new ATOM 319 N ARG A 21 -11.498 7.951 9.198 1.00 0.00 N ATOM 320 CA ARG A 21 -11.644 7.483 7.825 1.00 0.00 C ATOM 321 C ARG A 21 -10.742 8.274 6.883 1.00 0.00 C ATOM 322 O ARG A 21 -10.391 7.801 5.802 1.00 0.00 O ATOM 323 CB ARG A 21 -13.101 7.603 7.375 1.00 0.00 C ATOM 324 CG ARG A 21 -14.101 7.109 8.408 1.00 0.00 C ATOM 325 CD ARG A 21 -15.212 6.296 7.763 1.00 0.00 C ATOM 326 NE ARG A 21 -16.406 6.238 8.602 1.00 0.00 N ATOM 327 CZ ARG A 21 -17.529 5.628 8.241 1.00 0.00 C ATOM 328 NH1 ARG A 21 -17.611 5.026 7.063 1.00 0.00 N ATOM 329 NH2 ARG A 21 -18.573 5.618 9.060 1.00 0.00 N ATOM 0 H ARG A 21 -11.990 8.821 9.402 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.346 6.435 7.791 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.316 8.646 7.144 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.235 7.038 6.453 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.587 6.499 9.151 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -14.531 7.960 8.936 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.468 6.734 6.798 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.855 5.284 7.570 1.00 0.00 H new ATOM 0 HE ARG A 21 -16.376 6.691 9.515 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.810 5.030 6.431 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.475 4.558 6.788 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -18.513 6.079 9.968 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -19.435 5.149 8.782 1.00 0.00 H new ATOM 343 N GLU A 22 -10.371 9.480 7.300 1.00 0.00 N ATOM 344 CA GLU A 22 -9.511 10.337 6.492 1.00 0.00 C ATOM 345 C GLU A 22 -8.039 10.032 6.754 1.00 0.00 C ATOM 346 O GLU A 22 -7.678 9.528 7.817 1.00 0.00 O ATOM 347 CB GLU A 22 -9.799 11.810 6.787 1.00 0.00 C ATOM 348 CG GLU A 22 -10.959 12.376 5.986 1.00 0.00 C ATOM 349 CD GLU A 22 -12.294 12.186 6.679 1.00 0.00 C ATOM 350 OE1 GLU A 22 -12.636 11.029 7.000 1.00 0.00 O ATOM 351 OE2 GLU A 22 -12.997 13.194 6.900 1.00 0.00 O ATOM 0 H GLU A 22 -10.652 9.886 8.192 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.724 10.136 5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.013 11.924 7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.904 12.396 6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.792 13.439 5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.990 11.895 5.008 1.00 0.00 H new ATOM 358 N VAL A 23 -7.193 10.341 5.776 1.00 0.00 N ATOM 359 CA VAL A 23 -5.760 10.102 5.900 1.00 0.00 C ATOM 360 C VAL A 23 -4.974 11.403 5.785 1.00 0.00 C ATOM 361 O VAL A 23 -5.417 12.355 5.142 1.00 0.00 O ATOM 362 CB VAL A 23 -5.261 9.116 4.827 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.692 7.697 5.163 1.00 0.00 C ATOM 364 CG2 VAL A 23 -5.768 9.525 3.452 1.00 0.00 C ATOM 0 H VAL A 23 -7.476 10.758 4.889 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.595 9.668 6.886 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.171 9.144 4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.330 7.015 4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.275 7.409 6.128 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.780 7.648 5.208 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.406 8.818 2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.858 9.527 3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.403 10.524 3.212 1.00 0.00 H new ATOM 374 N THR A 24 -3.803 11.437 6.414 1.00 0.00 N ATOM 375 CA THR A 24 -2.953 12.621 6.383 1.00 0.00 C ATOM 376 C THR A 24 -1.945 12.545 5.242 1.00 0.00 C ATOM 377 O THR A 24 -1.156 11.605 5.161 1.00 0.00 O ATOM 378 CB THR A 24 -2.196 12.804 7.712 1.00 0.00 C ATOM 379 OG1 THR A 24 -3.126 12.961 8.789 1.00 0.00 O ATOM 380 CG2 THR A 24 -1.276 14.014 7.648 1.00 0.00 C ATOM 0 H THR A 24 -3.422 10.658 6.951 1.00 0.00 H new ATOM 0 HA THR A 24 -3.609 13.477 6.227 1.00 0.00 H new ATOM 0 HB THR A 24 -1.589 11.915 7.884 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.746 13.561 9.465 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.752 14.123 8.598 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.550 13.877 6.847 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.866 14.910 7.454 1.00 0.00 H new ATOM 388 N MET A 25 -1.977 13.542 4.363 1.00 0.00 N ATOM 389 CA MET A 25 -1.063 13.588 3.228 1.00 0.00 C ATOM 390 C MET A 25 -0.279 14.896 3.213 1.00 0.00 C ATOM 391 O MET A 25 -0.713 15.898 3.783 1.00 0.00 O ATOM 392 CB MET A 25 -1.836 13.428 1.917 1.00 0.00 C ATOM 393 CG MET A 25 -2.986 14.410 1.766 1.00 0.00 C ATOM 394 SD MET A 25 -4.110 13.963 0.430 1.00 0.00 S ATOM 395 CE MET A 25 -5.011 15.497 0.218 1.00 0.00 C ATOM 0 H MET A 25 -2.625 14.328 4.415 1.00 0.00 H new ATOM 0 HA MET A 25 -0.357 12.764 3.329 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.148 13.556 1.081 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.226 12.412 1.856 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.542 14.459 2.702 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.586 15.407 1.581 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.849 15.336 -0.460 1.00 0.00 H new ATOM 0 HE2 MET A 25 -5.386 15.835 1.184 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.347 16.254 -0.199 1.00 0.00 H new ATOM 405 N LYS A 26 0.877 14.881 2.559 1.00 0.00 N ATOM 406 CA LYS A 26 1.722 16.066 2.470 1.00 0.00 C ATOM 407 C LYS A 26 2.305 16.214 1.068 1.00 0.00 C ATOM 408 O LYS A 26 2.270 15.279 0.268 1.00 0.00 O ATOM 409 CB LYS A 26 2.852 15.991 3.498 1.00 0.00 C ATOM 410 CG LYS A 26 2.366 15.995 4.937 1.00 0.00 C ATOM 411 CD LYS A 26 3.527 15.983 5.918 1.00 0.00 C ATOM 412 CE LYS A 26 3.981 17.394 6.261 1.00 0.00 C ATOM 413 NZ LYS A 26 4.901 17.947 5.229 1.00 0.00 N ATOM 0 H LYS A 26 1.251 14.060 2.082 1.00 0.00 H new ATOM 0 HA LYS A 26 1.104 16.939 2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.433 15.085 3.322 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.525 16.835 3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.750 16.877 5.112 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.733 15.125 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.230 15.464 6.829 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.360 15.425 5.491 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.110 18.043 6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.482 17.389 7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.583 18.589 5.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.412 17.168 4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.351 18.471 4.518 1.00 0.00 H new ATOM 427 N LYS A 27 2.842 17.394 0.777 1.00 0.00 N ATOM 428 CA LYS A 27 3.436 17.664 -0.527 1.00 0.00 C ATOM 429 C LYS A 27 4.465 16.597 -0.888 1.00 0.00 C ATOM 430 O LYS A 27 5.543 16.536 -0.299 1.00 0.00 O ATOM 431 CB LYS A 27 4.094 19.045 -0.535 1.00 0.00 C ATOM 432 CG LYS A 27 3.100 20.192 -0.576 1.00 0.00 C ATOM 433 CD LYS A 27 2.865 20.777 0.806 1.00 0.00 C ATOM 434 CE LYS A 27 2.291 22.183 0.727 1.00 0.00 C ATOM 435 NZ LYS A 27 3.352 23.222 0.834 1.00 0.00 N ATOM 0 H LYS A 27 2.878 18.179 1.427 1.00 0.00 H new ATOM 0 HA LYS A 27 2.640 17.643 -1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.717 19.147 0.354 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.756 19.118 -1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.469 20.971 -1.243 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.154 19.840 -0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.182 20.135 1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.805 20.797 1.358 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.757 22.305 -0.215 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.563 22.324 1.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.920 24.166 0.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.845 23.122 1.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.033 23.104 0.057 1.00 0.00 H new ATOM 449 N GLY A 28 4.125 15.758 -1.862 1.00 0.00 N ATOM 450 CA GLY A 28 5.030 14.706 -2.285 1.00 0.00 C ATOM 451 C GLY A 28 4.559 13.329 -1.860 1.00 0.00 C ATOM 452 O GLY A 28 5.241 12.332 -2.096 1.00 0.00 O ATOM 0 H GLY A 28 3.238 15.788 -2.366 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.131 14.733 -3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.019 14.893 -1.868 1.00 0.00 H new ATOM 456 N ASP A 29 3.391 13.274 -1.230 1.00 0.00 N ATOM 457 CA ASP A 29 2.829 12.010 -0.769 1.00 0.00 C ATOM 458 C ASP A 29 2.229 11.226 -1.932 1.00 0.00 C ATOM 459 O ASP A 29 1.598 11.800 -2.820 1.00 0.00 O ATOM 460 CB ASP A 29 1.762 12.259 0.298 1.00 0.00 C ATOM 461 CG ASP A 29 0.915 11.032 0.567 1.00 0.00 C ATOM 462 OD1 ASP A 29 1.489 9.929 0.685 1.00 0.00 O ATOM 463 OD2 ASP A 29 -0.323 11.173 0.660 1.00 0.00 O ATOM 0 H ASP A 29 2.815 14.091 -1.027 1.00 0.00 H new ATOM 0 HA ASP A 29 3.636 11.420 -0.334 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.244 12.574 1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.118 13.079 -0.021 1.00 0.00 H new ATOM 468 N ILE A 30 2.432 9.913 -1.921 1.00 0.00 N ATOM 469 CA ILE A 30 1.911 9.051 -2.976 1.00 0.00 C ATOM 470 C ILE A 30 0.872 8.079 -2.428 1.00 0.00 C ATOM 471 O ILE A 30 1.154 7.303 -1.513 1.00 0.00 O ATOM 472 CB ILE A 30 3.038 8.252 -3.657 1.00 0.00 C ATOM 473 CG1 ILE A 30 4.176 9.186 -4.074 1.00 0.00 C ATOM 474 CG2 ILE A 30 2.497 7.496 -4.861 1.00 0.00 C ATOM 475 CD1 ILE A 30 5.303 9.250 -3.067 1.00 0.00 C ATOM 0 H ILE A 30 2.953 9.423 -1.194 1.00 0.00 H new ATOM 0 HA ILE A 30 1.442 9.702 -3.714 1.00 0.00 H new ATOM 0 HB ILE A 30 3.432 7.527 -2.944 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.574 8.855 -5.033 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.776 10.189 -4.224 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.305 6.936 -5.332 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.718 6.806 -4.537 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.080 8.204 -5.578 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.075 9.930 -3.427 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.918 9.610 -2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.729 8.256 -2.934 1.00 0.00 H new ATOM 487 N LEU A 31 -0.329 8.125 -2.993 1.00 0.00 N ATOM 488 CA LEU A 31 -1.411 7.246 -2.563 1.00 0.00 C ATOM 489 C LEU A 31 -1.971 6.455 -3.741 1.00 0.00 C ATOM 490 O LEU A 31 -1.735 6.795 -4.900 1.00 0.00 O ATOM 491 CB LEU A 31 -2.526 8.061 -1.906 1.00 0.00 C ATOM 492 CG LEU A 31 -2.075 9.243 -1.046 1.00 0.00 C ATOM 493 CD1 LEU A 31 -2.383 10.559 -1.745 1.00 0.00 C ATOM 494 CD2 LEU A 31 -2.743 9.194 0.320 1.00 0.00 C ATOM 0 H LEU A 31 -0.578 8.762 -3.750 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.007 6.542 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.184 8.437 -2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.121 7.391 -1.285 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.997 9.174 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.055 11.389 -1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.858 10.595 -2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.456 10.637 -1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.411 10.042 0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.825 9.238 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.473 8.266 0.824 1.00 0.00 H new ATOM 506 N THR A 32 -2.716 5.397 -3.436 1.00 0.00 N ATOM 507 CA THR A 32 -3.311 4.558 -4.468 1.00 0.00 C ATOM 508 C THR A 32 -4.789 4.879 -4.654 1.00 0.00 C ATOM 509 O THR A 32 -5.630 4.467 -3.853 1.00 0.00 O ATOM 510 CB THR A 32 -3.160 3.062 -4.132 1.00 0.00 C ATOM 511 OG1 THR A 32 -1.775 2.731 -3.982 1.00 0.00 O ATOM 512 CG2 THR A 32 -3.778 2.198 -5.221 1.00 0.00 C ATOM 0 H THR A 32 -2.922 5.101 -2.482 1.00 0.00 H new ATOM 0 HA THR A 32 -2.777 4.771 -5.394 1.00 0.00 H new ATOM 0 HB THR A 32 -3.683 2.868 -3.196 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.688 1.779 -3.767 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.659 1.146 -4.962 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.839 2.432 -5.313 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.279 2.397 -6.170 1.00 0.00 H new ATOM 520 N LEU A 33 -5.101 5.617 -5.714 1.00 0.00 N ATOM 521 CA LEU A 33 -6.480 5.993 -6.005 1.00 0.00 C ATOM 522 C LEU A 33 -7.378 4.762 -6.071 1.00 0.00 C ATOM 523 O LEU A 33 -7.373 4.029 -7.061 1.00 0.00 O ATOM 524 CB LEU A 33 -6.552 6.762 -7.325 1.00 0.00 C ATOM 525 CG LEU A 33 -7.648 7.824 -7.425 1.00 0.00 C ATOM 526 CD1 LEU A 33 -8.986 7.252 -6.982 1.00 0.00 C ATOM 527 CD2 LEU A 33 -7.286 9.045 -6.593 1.00 0.00 C ATOM 0 H LEU A 33 -4.418 5.967 -6.386 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.833 6.635 -5.198 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.590 7.245 -7.494 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.695 6.044 -8.133 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.734 8.133 -8.467 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.754 8.021 -7.060 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.251 6.409 -7.620 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.913 6.915 -5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.077 9.790 -6.676 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.171 8.753 -5.549 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.350 9.468 -6.956 1.00 0.00 H new ATOM 539 N LEU A 34 -8.150 4.541 -5.013 1.00 0.00 N ATOM 540 CA LEU A 34 -9.056 3.400 -4.951 1.00 0.00 C ATOM 541 C LEU A 34 -10.413 3.748 -5.555 1.00 0.00 C ATOM 542 O LEU A 34 -10.977 2.974 -6.326 1.00 0.00 O ATOM 543 CB LEU A 34 -9.233 2.941 -3.503 1.00 0.00 C ATOM 544 CG LEU A 34 -9.273 1.429 -3.277 1.00 0.00 C ATOM 545 CD1 LEU A 34 -7.991 0.781 -3.779 1.00 0.00 C ATOM 546 CD2 LEU A 34 -9.490 1.115 -1.804 1.00 0.00 C ATOM 0 H LEU A 34 -8.167 5.138 -4.186 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.617 2.589 -5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.418 3.355 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.158 3.370 -3.118 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.110 1.018 -3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.037 -0.295 -3.610 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.878 0.976 -4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.139 1.197 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.516 0.035 -1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.675 1.539 -1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.435 1.547 -1.475 1.00 0.00 H new ATOM 558 N ASN A 35 -10.929 4.921 -5.201 1.00 0.00 N ATOM 559 CA ASN A 35 -12.219 5.373 -5.710 1.00 0.00 C ATOM 560 C ASN A 35 -12.172 6.855 -6.070 1.00 0.00 C ATOM 561 O ASN A 35 -11.870 7.700 -5.227 1.00 0.00 O ATOM 562 CB ASN A 35 -13.315 5.124 -4.672 1.00 0.00 C ATOM 563 CG ASN A 35 -14.557 4.501 -5.282 1.00 0.00 C ATOM 564 OD1 ASN A 35 -15.145 3.580 -4.715 1.00 0.00 O ATOM 565 ND2 ASN A 35 -14.961 5.003 -6.443 1.00 0.00 N ATOM 0 H ASN A 35 -10.474 5.575 -4.564 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.446 4.805 -6.612 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.930 4.469 -3.890 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.581 6.067 -4.195 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.790 4.625 -6.901 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.442 5.767 -6.877 1.00 0.00 H new ATOM 572 N SER A 36 -12.473 7.162 -7.328 1.00 0.00 N ATOM 573 CA SER A 36 -12.462 8.541 -7.801 1.00 0.00 C ATOM 574 C SER A 36 -13.849 8.963 -8.279 1.00 0.00 C ATOM 575 O SER A 36 -13.987 9.871 -9.099 1.00 0.00 O ATOM 576 CB SER A 36 -11.448 8.706 -8.934 1.00 0.00 C ATOM 577 OG SER A 36 -12.061 8.521 -10.199 1.00 0.00 O ATOM 0 H SER A 36 -12.727 6.475 -8.037 1.00 0.00 H new ATOM 0 HA SER A 36 -12.173 9.182 -6.968 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.001 9.699 -8.885 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.639 7.986 -8.810 1.00 0.00 H new ATOM 0 HG SER A 36 -12.714 9.235 -10.353 1.00 0.00 H new ATOM 583 N THR A 37 -14.875 8.295 -7.760 1.00 0.00 N ATOM 584 CA THR A 37 -16.251 8.598 -8.133 1.00 0.00 C ATOM 585 C THR A 37 -16.605 10.044 -7.802 1.00 0.00 C ATOM 586 O THR A 37 -17.398 10.673 -8.500 1.00 0.00 O ATOM 587 CB THR A 37 -17.245 7.662 -7.420 1.00 0.00 C ATOM 588 OG1 THR A 37 -18.570 7.889 -7.913 1.00 0.00 O ATOM 589 CG2 THR A 37 -17.213 7.883 -5.916 1.00 0.00 C ATOM 0 H THR A 37 -14.779 7.541 -7.080 1.00 0.00 H new ATOM 0 HA THR A 37 -16.328 8.445 -9.210 1.00 0.00 H new ATOM 0 HB THR A 37 -16.952 6.632 -7.626 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.196 7.289 -7.456 1.00 0.00 H new ATOM 0 HG21 THR A 37 -17.923 7.211 -5.434 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.210 7.681 -5.540 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.483 8.915 -5.694 1.00 0.00 H new ATOM 597 N ASN A 38 -16.010 10.564 -6.733 1.00 0.00 N ATOM 598 CA ASN A 38 -16.263 11.937 -6.310 1.00 0.00 C ATOM 599 C ASN A 38 -15.236 12.890 -6.914 1.00 0.00 C ATOM 600 O ASN A 38 -14.220 12.461 -7.460 1.00 0.00 O ATOM 601 CB ASN A 38 -16.232 12.036 -4.784 1.00 0.00 C ATOM 602 CG ASN A 38 -17.617 12.193 -4.186 1.00 0.00 C ATOM 603 OD1 ASN A 38 -18.299 11.207 -3.904 1.00 0.00 O ATOM 604 ND2 ASN A 38 -18.039 13.436 -3.991 1.00 0.00 N ATOM 0 H ASN A 38 -15.350 10.056 -6.144 1.00 0.00 H new ATOM 0 HA ASN A 38 -17.252 12.224 -6.666 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -15.762 11.142 -4.374 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.614 12.885 -4.490 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -18.963 13.604 -3.592 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.440 14.223 -4.240 1.00 0.00 H new ATOM 611 N LYS A 39 -15.509 14.186 -6.812 1.00 0.00 N ATOM 612 CA LYS A 39 -14.610 15.202 -7.346 1.00 0.00 C ATOM 613 C LYS A 39 -13.908 15.954 -6.219 1.00 0.00 C ATOM 614 O LYS A 39 -12.747 16.344 -6.349 1.00 0.00 O ATOM 615 CB LYS A 39 -15.384 16.187 -8.225 1.00 0.00 C ATOM 616 CG LYS A 39 -15.724 15.637 -9.600 1.00 0.00 C ATOM 617 CD LYS A 39 -16.446 16.669 -10.450 1.00 0.00 C ATOM 618 CE LYS A 39 -17.935 16.702 -10.140 1.00 0.00 C ATOM 619 NZ LYS A 39 -18.264 17.721 -9.105 1.00 0.00 N ATOM 0 H LYS A 39 -16.346 14.558 -6.364 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.855 14.701 -7.951 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -16.307 16.467 -7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.795 17.097 -8.342 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.810 15.324 -10.104 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.349 14.750 -9.494 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.014 17.654 -10.273 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.298 16.441 -11.506 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.491 16.918 -11.052 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.256 15.719 -9.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.849 17.286 -8.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.385 18.085 -8.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.788 18.505 -9.544 1.00 0.00 H new ATOM 633 N ASP A 40 -14.618 16.152 -5.114 1.00 0.00 N ATOM 634 CA ASP A 40 -14.063 16.855 -3.964 1.00 0.00 C ATOM 635 C ASP A 40 -13.330 15.888 -3.039 1.00 0.00 C ATOM 636 O ASP A 40 -12.187 16.130 -2.652 1.00 0.00 O ATOM 637 CB ASP A 40 -15.171 17.575 -3.195 1.00 0.00 C ATOM 638 CG ASP A 40 -15.959 18.528 -4.071 1.00 0.00 C ATOM 639 OD1 ASP A 40 -15.480 19.660 -4.298 1.00 0.00 O ATOM 640 OD2 ASP A 40 -17.054 18.143 -4.532 1.00 0.00 O ATOM 0 H ASP A 40 -15.580 15.835 -4.991 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.349 17.592 -4.330 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.848 16.838 -2.764 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.732 18.128 -2.364 1.00 0.00 H new ATOM 645 N TRP A 41 -13.996 14.794 -2.687 1.00 0.00 N ATOM 646 CA TRP A 41 -13.409 13.791 -1.806 1.00 0.00 C ATOM 647 C TRP A 41 -12.956 12.570 -2.598 1.00 0.00 C ATOM 648 O TRP A 41 -13.777 11.831 -3.140 1.00 0.00 O ATOM 649 CB TRP A 41 -14.414 13.374 -0.732 1.00 0.00 C ATOM 650 CG TRP A 41 -14.703 14.457 0.264 1.00 0.00 C ATOM 651 CD1 TRP A 41 -15.852 15.187 0.371 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.827 14.932 1.291 1.00 0.00 C ATOM 653 NE1 TRP A 41 -15.743 16.087 1.403 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.510 15.950 1.984 1.00 0.00 C ATOM 655 CE3 TRP A 41 -12.532 14.595 1.695 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -13.941 16.633 3.055 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -11.968 15.274 2.758 1.00 0.00 C ATOM 658 CH2 TRP A 41 -12.672 16.283 3.429 1.00 0.00 C ATOM 0 H TRP A 41 -14.943 14.579 -2.998 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.537 14.233 -1.324 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -15.345 13.074 -1.213 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -14.031 12.499 -0.206 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -16.719 15.073 -0.263 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -16.463 16.750 1.690 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -11.982 13.818 1.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -14.482 17.412 3.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -10.967 15.023 3.077 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -12.204 16.794 4.257 1.00 0.00 H new ATOM 669 N TRP A 42 -11.645 12.363 -2.660 1.00 0.00 N ATOM 670 CA TRP A 42 -11.084 11.229 -3.386 1.00 0.00 C ATOM 671 C TRP A 42 -10.654 10.126 -2.425 1.00 0.00 C ATOM 672 O TRP A 42 -10.011 10.390 -1.409 1.00 0.00 O ATOM 673 CB TRP A 42 -9.892 11.679 -4.231 1.00 0.00 C ATOM 674 CG TRP A 42 -10.271 12.094 -5.621 1.00 0.00 C ATOM 675 CD1 TRP A 42 -11.531 12.340 -6.087 1.00 0.00 C ATOM 676 CD2 TRP A 42 -9.384 12.309 -6.724 1.00 0.00 C ATOM 677 NE1 TRP A 42 -11.481 12.695 -7.413 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.175 12.684 -7.827 1.00 0.00 C ATOM 679 CE3 TRP A 42 -7.999 12.223 -6.886 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -9.625 12.971 -9.074 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -7.454 12.508 -8.124 1.00 0.00 C ATOM 682 CH2 TRP A 42 -8.266 12.879 -9.204 1.00 0.00 C ATOM 0 H TRP A 42 -10.951 12.965 -2.217 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.857 10.831 -4.043 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.397 12.513 -3.733 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.168 10.866 -4.287 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.434 12.266 -5.499 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -12.285 12.929 -7.995 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.365 11.939 -6.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.249 13.256 -9.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.385 12.444 -8.261 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -7.810 13.097 -10.158 1.00 0.00 H new ATOM 693 N LYS A 43 -11.014 8.890 -2.752 1.00 0.00 N ATOM 694 CA LYS A 43 -10.664 7.745 -1.919 1.00 0.00 C ATOM 695 C LYS A 43 -9.357 7.112 -2.385 1.00 0.00 C ATOM 696 O LYS A 43 -9.278 6.568 -3.487 1.00 0.00 O ATOM 697 CB LYS A 43 -11.786 6.705 -1.948 1.00 0.00 C ATOM 698 CG LYS A 43 -13.173 7.302 -1.787 1.00 0.00 C ATOM 699 CD LYS A 43 -14.213 6.230 -1.506 1.00 0.00 C ATOM 700 CE LYS A 43 -15.618 6.721 -1.819 1.00 0.00 C ATOM 701 NZ LYS A 43 -15.842 6.863 -3.284 1.00 0.00 N ATOM 0 H LYS A 43 -11.548 8.655 -3.588 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.531 8.099 -0.897 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.741 6.161 -2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.618 5.979 -1.153 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.166 8.026 -0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.444 7.844 -2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.995 5.344 -2.103 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.156 5.931 -0.459 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.347 6.024 -1.406 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.784 7.682 -1.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.698 7.429 -3.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.023 7.337 -3.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.961 5.922 -3.710 1.00 0.00 H new ATOM 715 N VAL A 44 -8.335 7.184 -1.539 1.00 0.00 N ATOM 716 CA VAL A 44 -7.032 6.615 -1.863 1.00 0.00 C ATOM 717 C VAL A 44 -6.576 5.636 -0.787 1.00 0.00 C ATOM 718 O VAL A 44 -7.032 5.697 0.354 1.00 0.00 O ATOM 719 CB VAL A 44 -5.965 7.714 -2.028 1.00 0.00 C ATOM 720 CG1 VAL A 44 -6.026 8.313 -3.424 1.00 0.00 C ATOM 721 CG2 VAL A 44 -6.143 8.791 -0.968 1.00 0.00 C ATOM 0 H VAL A 44 -8.384 7.631 -0.623 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.145 6.084 -2.808 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.981 7.264 -1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.265 9.087 -3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.846 7.532 -4.163 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.011 8.749 -3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.381 9.560 -1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.132 9.239 -1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.044 8.347 0.022 1.00 0.00 H new ATOM 731 N GLU A 45 -5.673 4.735 -1.160 1.00 0.00 N ATOM 732 CA GLU A 45 -5.155 3.742 -0.225 1.00 0.00 C ATOM 733 C GLU A 45 -3.766 4.134 0.271 1.00 0.00 C ATOM 734 O GLU A 45 -2.925 4.592 -0.502 1.00 0.00 O ATOM 735 CB GLU A 45 -5.102 2.364 -0.888 1.00 0.00 C ATOM 736 CG GLU A 45 -5.341 1.215 0.077 1.00 0.00 C ATOM 737 CD GLU A 45 -5.132 -0.141 -0.568 1.00 0.00 C ATOM 738 OE1 GLU A 45 -3.967 -0.584 -0.653 1.00 0.00 O ATOM 739 OE2 GLU A 45 -6.132 -0.760 -0.989 1.00 0.00 O ATOM 0 H GLU A 45 -5.285 4.672 -2.101 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.829 3.700 0.631 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.849 2.323 -1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.128 2.234 -1.360 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.669 1.315 0.929 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.358 1.276 0.464 1.00 0.00 H new ATOM 746 N VAL A 46 -3.534 3.951 1.567 1.00 0.00 N ATOM 747 CA VAL A 46 -2.248 4.284 2.168 1.00 0.00 C ATOM 748 C VAL A 46 -1.694 3.110 2.967 1.00 0.00 C ATOM 749 O VAL A 46 -2.316 2.051 3.048 1.00 0.00 O ATOM 750 CB VAL A 46 -2.361 5.512 3.090 1.00 0.00 C ATOM 751 CG1 VAL A 46 -2.899 6.710 2.323 1.00 0.00 C ATOM 752 CG2 VAL A 46 -3.241 5.198 4.290 1.00 0.00 C ATOM 0 H VAL A 46 -4.220 3.574 2.221 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.566 4.515 1.350 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.365 5.763 3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.972 7.568 2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.225 6.948 1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.887 6.475 1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.310 6.077 4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.238 4.920 3.947 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.807 4.372 4.853 1.00 0.00 H new ATOM 762 N LYS A 47 -0.521 3.306 3.559 1.00 0.00 N ATOM 763 CA LYS A 47 0.118 2.265 4.355 1.00 0.00 C ATOM 764 C LYS A 47 0.471 2.783 5.746 1.00 0.00 C ATOM 765 O LYS A 47 1.064 3.853 5.887 1.00 0.00 O ATOM 766 CB LYS A 47 1.380 1.758 3.652 1.00 0.00 C ATOM 767 CG LYS A 47 1.952 0.492 4.266 1.00 0.00 C ATOM 768 CD LYS A 47 3.081 -0.076 3.424 1.00 0.00 C ATOM 769 CE LYS A 47 2.554 -0.984 2.323 1.00 0.00 C ATOM 770 NZ LYS A 47 3.599 -1.290 1.308 1.00 0.00 N ATOM 0 H LYS A 47 0.007 4.177 3.503 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.587 1.440 4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.151 1.571 2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.139 2.540 3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.318 0.707 5.270 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.163 -0.253 4.368 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.652 0.740 2.982 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.766 -0.635 4.062 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.191 -1.913 2.762 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.703 -0.508 1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.200 -1.911 0.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.928 -0.406 0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.400 -1.768 1.768 1.00 0.00 H new ATOM 784 N ILE A 48 0.105 2.017 6.768 1.00 0.00 N ATOM 785 CA ILE A 48 0.386 2.398 8.146 1.00 0.00 C ATOM 786 C ILE A 48 1.017 1.244 8.918 1.00 0.00 C ATOM 787 O ILE A 48 0.427 0.171 9.046 1.00 0.00 O ATOM 788 CB ILE A 48 -0.892 2.852 8.877 1.00 0.00 C ATOM 789 CG1 ILE A 48 -1.553 4.008 8.123 1.00 0.00 C ATOM 790 CG2 ILE A 48 -0.569 3.260 10.306 1.00 0.00 C ATOM 791 CD1 ILE A 48 -2.509 3.556 7.042 1.00 0.00 C ATOM 0 H ILE A 48 -0.387 1.129 6.668 1.00 0.00 H new ATOM 0 HA ILE A 48 1.087 3.232 8.106 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.591 2.016 8.909 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.091 4.634 8.834 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.778 4.629 7.675 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.482 3.578 10.809 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.138 2.412 10.838 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.146 4.083 10.297 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.940 4.428 6.550 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.971 2.954 6.309 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.306 2.960 7.487 1.00 0.00 H new ATOM 803 N THR A 49 2.221 1.473 9.434 1.00 0.00 N ATOM 804 CA THR A 49 2.933 0.453 10.194 1.00 0.00 C ATOM 805 C THR A 49 2.631 0.568 11.684 1.00 0.00 C ATOM 806 O THR A 49 3.119 1.474 12.359 1.00 0.00 O ATOM 807 CB THR A 49 4.455 0.554 9.981 1.00 0.00 C ATOM 808 OG1 THR A 49 4.761 0.471 8.585 1.00 0.00 O ATOM 809 CG2 THR A 49 5.180 -0.553 10.731 1.00 0.00 C ATOM 0 H THR A 49 2.723 2.356 9.339 1.00 0.00 H new ATOM 0 HA THR A 49 2.586 -0.514 9.829 1.00 0.00 H new ATOM 0 HB THR A 49 4.791 1.515 10.369 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.730 0.538 8.458 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.254 -0.462 10.566 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.968 -0.469 11.797 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.838 -1.522 10.368 1.00 0.00 H new ATOM 817 N VAL A 50 1.823 -0.358 12.192 1.00 0.00 N ATOM 818 CA VAL A 50 1.458 -0.361 13.604 1.00 0.00 C ATOM 819 C VAL A 50 1.982 -1.610 14.304 1.00 0.00 C ATOM 820 O VAL A 50 1.729 -2.732 13.866 1.00 0.00 O ATOM 821 CB VAL A 50 -0.070 -0.285 13.788 1.00 0.00 C ATOM 822 CG1 VAL A 50 -0.432 -0.324 15.265 1.00 0.00 C ATOM 823 CG2 VAL A 50 -0.624 0.968 13.127 1.00 0.00 C ATOM 0 H VAL A 50 1.409 -1.115 11.647 1.00 0.00 H new ATOM 0 HA VAL A 50 1.915 0.521 14.052 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.521 -1.152 13.305 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.515 -0.269 15.376 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.069 -1.253 15.704 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.028 0.522 15.775 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.704 1.006 13.267 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.169 1.849 13.579 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.396 0.948 12.061 1.00 0.00 H new ATOM 833 N ASN A 51 2.713 -1.407 15.395 1.00 0.00 N ATOM 834 CA ASN A 51 3.274 -2.518 16.157 1.00 0.00 C ATOM 835 C ASN A 51 4.253 -3.321 15.307 1.00 0.00 C ATOM 836 O ASN A 51 4.490 -4.501 15.561 1.00 0.00 O ATOM 837 CB ASN A 51 2.156 -3.430 16.666 1.00 0.00 C ATOM 838 CG ASN A 51 2.598 -4.290 17.833 1.00 0.00 C ATOM 839 OD1 ASN A 51 2.959 -3.779 18.894 1.00 0.00 O ATOM 840 ND2 ASN A 51 2.572 -5.604 17.644 1.00 0.00 N ATOM 0 H ASN A 51 2.931 -0.484 15.772 1.00 0.00 H new ATOM 0 HA ASN A 51 3.814 -2.106 17.009 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.304 -2.821 16.969 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.816 -4.072 15.853 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.858 -6.233 18.394 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.266 -5.984 16.749 1.00 0.00 H new ATOM 847 N GLY A 52 4.821 -2.672 14.295 1.00 0.00 N ATOM 848 CA GLY A 52 5.769 -3.340 13.423 1.00 0.00 C ATOM 849 C GLY A 52 5.091 -4.073 12.282 1.00 0.00 C ATOM 850 O GLY A 52 5.756 -4.632 11.410 1.00 0.00 O ATOM 0 H GLY A 52 4.641 -1.695 14.064 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.464 -2.605 13.017 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.358 -4.048 14.006 1.00 0.00 H new ATOM 854 N LYS A 53 3.762 -4.072 12.288 1.00 0.00 N ATOM 855 CA LYS A 53 2.991 -4.742 11.247 1.00 0.00 C ATOM 856 C LYS A 53 2.426 -3.731 10.254 1.00 0.00 C ATOM 857 O LYS A 53 1.762 -2.769 10.641 1.00 0.00 O ATOM 858 CB LYS A 53 1.853 -5.554 11.869 1.00 0.00 C ATOM 859 CG LYS A 53 0.806 -6.002 10.864 1.00 0.00 C ATOM 860 CD LYS A 53 0.435 -7.462 11.058 1.00 0.00 C ATOM 861 CE LYS A 53 1.556 -8.386 10.606 1.00 0.00 C ATOM 862 NZ LYS A 53 1.071 -9.776 10.377 1.00 0.00 N ATOM 0 H LYS A 53 3.196 -3.614 13.003 1.00 0.00 H new ATOM 0 HA LYS A 53 3.659 -5.417 10.711 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.271 -6.432 12.361 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.370 -4.955 12.641 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.085 -5.383 10.965 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.184 -5.853 9.853 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.212 -7.645 12.109 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.472 -7.686 10.496 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.997 -7.999 9.687 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.344 -8.396 11.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.864 -10.374 10.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.673 -10.155 11.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.337 -9.771 9.641 1.00 0.00 H new ATOM 876 N THR A 54 2.691 -3.957 8.971 1.00 0.00 N ATOM 877 CA THR A 54 2.208 -3.067 7.923 1.00 0.00 C ATOM 878 C THR A 54 0.716 -3.262 7.679 1.00 0.00 C ATOM 879 O THR A 54 0.249 -4.388 7.503 1.00 0.00 O ATOM 880 CB THR A 54 2.967 -3.292 6.601 1.00 0.00 C ATOM 881 OG1 THR A 54 3.691 -4.526 6.656 1.00 0.00 O ATOM 882 CG2 THR A 54 3.928 -2.145 6.327 1.00 0.00 C ATOM 0 H THR A 54 3.238 -4.749 8.633 1.00 0.00 H new ATOM 0 HA THR A 54 2.386 -2.048 8.267 1.00 0.00 H new ATOM 0 HB THR A 54 2.238 -3.335 5.792 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.169 -4.663 5.812 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.452 -2.326 5.389 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.370 -1.212 6.256 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.651 -2.075 7.139 1.00 0.00 H new ATOM 890 N TYR A 55 -0.026 -2.161 7.669 1.00 0.00 N ATOM 891 CA TYR A 55 -1.466 -2.212 7.448 1.00 0.00 C ATOM 892 C TYR A 55 -1.853 -1.436 6.193 1.00 0.00 C ATOM 893 O TYR A 55 -1.173 -0.488 5.803 1.00 0.00 O ATOM 894 CB TYR A 55 -2.210 -1.648 8.660 1.00 0.00 C ATOM 895 CG TYR A 55 -2.214 -2.575 9.854 1.00 0.00 C ATOM 896 CD1 TYR A 55 -3.112 -3.633 9.934 1.00 0.00 C ATOM 897 CD2 TYR A 55 -1.320 -2.395 10.902 1.00 0.00 C ATOM 898 CE1 TYR A 55 -3.120 -4.482 11.023 1.00 0.00 C ATOM 899 CE2 TYR A 55 -1.321 -3.240 11.995 1.00 0.00 C ATOM 900 CZ TYR A 55 -2.223 -4.282 12.051 1.00 0.00 C ATOM 901 OH TYR A 55 -2.227 -5.127 13.137 1.00 0.00 O ATOM 0 H TYR A 55 0.346 -1.222 7.811 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.749 -3.255 7.310 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.753 -0.701 8.948 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.240 -1.432 8.375 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.816 -3.794 9.131 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.612 -1.580 10.862 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.825 -5.299 11.069 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.619 -3.086 12.801 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.533 -4.849 13.770 1.00 0.00 H new ATOM 911 N GLU A 56 -2.951 -1.847 5.566 1.00 0.00 N ATOM 912 CA GLU A 56 -3.429 -1.190 4.355 1.00 0.00 C ATOM 913 C GLU A 56 -4.911 -0.844 4.472 1.00 0.00 C ATOM 914 O GLU A 56 -5.701 -1.624 5.005 1.00 0.00 O ATOM 915 CB GLU A 56 -3.198 -2.088 3.137 1.00 0.00 C ATOM 916 CG GLU A 56 -1.793 -1.992 2.568 1.00 0.00 C ATOM 917 CD GLU A 56 -1.356 -3.268 1.875 1.00 0.00 C ATOM 918 OE1 GLU A 56 -0.893 -4.193 2.574 1.00 0.00 O ATOM 919 OE2 GLU A 56 -1.476 -3.340 0.634 1.00 0.00 O ATOM 0 H GLU A 56 -3.525 -2.631 5.876 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.867 -0.265 4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.398 -3.123 3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.915 -1.823 2.360 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.748 -1.165 1.860 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.094 -1.762 3.372 1.00 0.00 H new ATOM 926 N ARG A 57 -5.279 0.330 3.971 1.00 0.00 N ATOM 927 CA ARG A 57 -6.665 0.781 4.021 1.00 0.00 C ATOM 928 C ARG A 57 -6.877 1.988 3.111 1.00 0.00 C ATOM 929 O ARG A 57 -5.920 2.553 2.582 1.00 0.00 O ATOM 930 CB ARG A 57 -7.057 1.135 5.456 1.00 0.00 C ATOM 931 CG ARG A 57 -6.020 1.978 6.180 1.00 0.00 C ATOM 932 CD ARG A 57 -4.997 1.110 6.895 1.00 0.00 C ATOM 933 NE ARG A 57 -4.832 1.497 8.294 1.00 0.00 N ATOM 934 CZ ARG A 57 -5.766 1.320 9.221 1.00 0.00 C ATOM 935 NH1 ARG A 57 -6.927 0.765 8.900 1.00 0.00 N ATOM 936 NH2 ARG A 57 -5.541 1.699 10.472 1.00 0.00 N ATOM 0 H ARG A 57 -4.637 0.986 3.526 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.299 -0.033 3.669 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.005 1.673 5.443 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.220 0.215 6.017 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.513 2.626 5.465 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.516 2.627 6.902 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.307 0.066 6.842 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.038 1.184 6.383 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.951 1.927 8.574 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.104 0.473 7.939 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.643 0.630 9.614 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.650 2.127 10.723 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.259 1.563 11.183 1.00 0.00 H new ATOM 950 N GLN A 58 -8.136 2.375 2.935 1.00 0.00 N ATOM 951 CA GLN A 58 -8.473 3.514 2.088 1.00 0.00 C ATOM 952 C GLN A 58 -9.002 4.675 2.924 1.00 0.00 C ATOM 953 O GLN A 58 -9.587 4.472 3.987 1.00 0.00 O ATOM 954 CB GLN A 58 -9.511 3.108 1.041 1.00 0.00 C ATOM 955 CG GLN A 58 -10.882 2.812 1.627 1.00 0.00 C ATOM 956 CD GLN A 58 -11.982 3.631 0.981 1.00 0.00 C ATOM 957 OE1 GLN A 58 -12.844 4.185 1.665 1.00 0.00 O ATOM 958 NE2 GLN A 58 -11.959 3.713 -0.344 1.00 0.00 N ATOM 0 H GLN A 58 -8.939 1.918 3.367 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.565 3.840 1.581 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -9.604 3.907 0.305 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.154 2.226 0.510 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -11.104 1.752 1.505 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -10.866 3.013 2.698 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -11.226 3.238 -0.872 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -12.674 4.251 -0.834 1.00 0.00 H new ATOM 967 N GLY A 59 -8.792 5.894 2.435 1.00 0.00 N ATOM 968 CA GLY A 59 -9.253 7.069 3.150 1.00 0.00 C ATOM 969 C GLY A 59 -9.647 8.197 2.217 1.00 0.00 C ATOM 970 O GLY A 59 -9.146 8.290 1.096 1.00 0.00 O ATOM 0 H GLY A 59 -8.311 6.088 1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.107 6.801 3.772 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.466 7.414 3.821 1.00 0.00 H new ATOM 974 N PHE A 60 -10.549 9.057 2.678 1.00 0.00 N ATOM 975 CA PHE A 60 -11.013 10.183 1.876 1.00 0.00 C ATOM 976 C PHE A 60 -10.090 11.387 2.044 1.00 0.00 C ATOM 977 O PHE A 60 -9.665 11.707 3.155 1.00 0.00 O ATOM 978 CB PHE A 60 -12.442 10.562 2.269 1.00 0.00 C ATOM 979 CG PHE A 60 -13.355 9.380 2.423 1.00 0.00 C ATOM 980 CD1 PHE A 60 -13.447 8.712 3.634 1.00 0.00 C ATOM 981 CD2 PHE A 60 -14.122 8.936 1.358 1.00 0.00 C ATOM 982 CE1 PHE A 60 -14.286 7.624 3.779 1.00 0.00 C ATOM 983 CE2 PHE A 60 -14.963 7.848 1.497 1.00 0.00 C ATOM 984 CZ PHE A 60 -15.046 7.192 2.709 1.00 0.00 C ATOM 0 H PHE A 60 -10.973 8.996 3.603 1.00 0.00 H new ATOM 0 HA PHE A 60 -11.000 9.881 0.829 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.417 11.116 3.207 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -12.852 11.232 1.513 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -12.856 9.046 4.474 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.062 9.446 0.408 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -14.348 7.112 4.728 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.555 7.511 0.658 1.00 0.00 H new ATOM 0 HZ PHE A 60 -15.704 6.343 2.821 1.00 0.00 H new ATOM 994 N VAL A 61 -9.784 12.050 0.934 1.00 0.00 N ATOM 995 CA VAL A 61 -8.913 13.219 0.957 1.00 0.00 C ATOM 996 C VAL A 61 -9.338 14.242 -0.091 1.00 0.00 C ATOM 997 O VAL A 61 -9.981 13.915 -1.088 1.00 0.00 O ATOM 998 CB VAL A 61 -7.444 12.829 0.711 1.00 0.00 C ATOM 999 CG1 VAL A 61 -6.829 12.242 1.973 1.00 0.00 C ATOM 1000 CG2 VAL A 61 -7.340 11.849 -0.448 1.00 0.00 C ATOM 0 H VAL A 61 -10.126 11.798 0.007 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.003 13.661 1.949 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.887 13.728 0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.791 11.972 1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.869 12.980 2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.386 11.353 2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.295 11.584 -0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.911 10.950 -0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.740 12.310 -1.351 1.00 0.00 H new ATOM 1010 N PRO A 62 -8.971 15.511 0.139 1.00 0.00 N ATOM 1011 CA PRO A 62 -9.302 16.609 -0.775 1.00 0.00 C ATOM 1012 C PRO A 62 -8.534 16.521 -2.089 1.00 0.00 C ATOM 1013 O PRO A 62 -7.317 16.700 -2.121 1.00 0.00 O ATOM 1014 CB PRO A 62 -8.885 17.858 0.005 1.00 0.00 C ATOM 1015 CG PRO A 62 -7.830 17.384 0.944 1.00 0.00 C ATOM 1016 CD PRO A 62 -8.203 15.973 1.307 1.00 0.00 C ATOM 0 HA PRO A 62 -10.354 16.599 -1.060 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.503 18.632 -0.661 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.729 18.289 0.543 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.846 17.420 0.476 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.784 18.016 1.831 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.321 15.356 1.478 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.799 15.937 2.219 1.00 0.00 H new ATOM 1024 N ALA A 63 -9.253 16.244 -3.172 1.00 0.00 N ATOM 1025 CA ALA A 63 -8.639 16.135 -4.490 1.00 0.00 C ATOM 1026 C ALA A 63 -7.987 17.451 -4.902 1.00 0.00 C ATOM 1027 O ALA A 63 -7.024 17.464 -5.668 1.00 0.00 O ATOM 1028 CB ALA A 63 -9.674 15.711 -5.521 1.00 0.00 C ATOM 0 H ALA A 63 -10.261 16.091 -3.163 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.860 15.374 -4.439 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.202 15.634 -6.500 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.091 14.743 -5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.473 16.452 -5.561 1.00 0.00 H new ATOM 1034 N ALA A 64 -8.519 18.556 -4.390 1.00 0.00 N ATOM 1035 CA ALA A 64 -7.988 19.876 -4.705 1.00 0.00 C ATOM 1036 C ALA A 64 -6.577 20.046 -4.154 1.00 0.00 C ATOM 1037 O ALA A 64 -5.860 20.974 -4.529 1.00 0.00 O ATOM 1038 CB ALA A 64 -8.905 20.958 -4.155 1.00 0.00 C ATOM 0 H ALA A 64 -9.317 18.563 -3.755 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.940 19.972 -5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.496 21.939 -4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.895 20.857 -4.600 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.982 20.854 -3.073 1.00 0.00 H new ATOM 1044 N TYR A 65 -6.183 19.144 -3.261 1.00 0.00 N ATOM 1045 CA TYR A 65 -4.858 19.196 -2.656 1.00 0.00 C ATOM 1046 C TYR A 65 -3.937 18.146 -3.269 1.00 0.00 C ATOM 1047 O TYR A 65 -2.772 18.025 -2.888 1.00 0.00 O ATOM 1048 CB TYR A 65 -4.956 18.984 -1.144 1.00 0.00 C ATOM 1049 CG TYR A 65 -5.222 20.255 -0.370 1.00 0.00 C ATOM 1050 CD1 TYR A 65 -6.166 21.175 -0.810 1.00 0.00 C ATOM 1051 CD2 TYR A 65 -4.530 20.536 0.802 1.00 0.00 C ATOM 1052 CE1 TYR A 65 -6.411 22.338 -0.106 1.00 0.00 C ATOM 1053 CE2 TYR A 65 -4.770 21.696 1.513 1.00 0.00 C ATOM 1054 CZ TYR A 65 -5.711 22.594 1.054 1.00 0.00 C ATOM 1055 OH TYR A 65 -5.954 23.751 1.759 1.00 0.00 O ATOM 0 H TYR A 65 -6.763 18.368 -2.941 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.436 20.182 -2.852 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.752 18.269 -0.937 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.027 18.539 -0.787 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.717 20.977 -1.717 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.792 19.835 1.163 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.147 23.043 -0.462 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.224 21.898 2.423 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.379 23.778 2.552 1.00 0.00 H new ATOM 1065 N VAL A 66 -4.468 17.387 -4.223 1.00 0.00 N ATOM 1066 CA VAL A 66 -3.695 16.348 -4.892 1.00 0.00 C ATOM 1067 C VAL A 66 -3.966 16.341 -6.392 1.00 0.00 C ATOM 1068 O VAL A 66 -4.754 17.142 -6.896 1.00 0.00 O ATOM 1069 CB VAL A 66 -4.013 14.955 -4.318 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -3.804 14.937 -2.811 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -5.434 14.545 -4.672 1.00 0.00 C ATOM 0 H VAL A 66 -5.431 17.473 -4.550 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.643 16.574 -4.717 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.329 14.233 -4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.034 13.944 -2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.767 15.184 -2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.462 15.670 -2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.642 13.558 -4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.136 15.268 -4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.545 14.515 -5.756 1.00 0.00 H new ATOM 1081 N LYS A 67 -3.308 15.431 -7.103 1.00 0.00 N ATOM 1082 CA LYS A 67 -3.478 15.317 -8.547 1.00 0.00 C ATOM 1083 C LYS A 67 -3.096 13.922 -9.031 1.00 0.00 C ATOM 1084 O LYS A 67 -2.325 13.217 -8.380 1.00 0.00 O ATOM 1085 CB LYS A 67 -2.630 16.369 -9.266 1.00 0.00 C ATOM 1086 CG LYS A 67 -1.135 16.175 -9.079 1.00 0.00 C ATOM 1087 CD LYS A 67 -0.339 16.929 -10.131 1.00 0.00 C ATOM 1088 CE LYS A 67 0.977 16.232 -10.441 1.00 0.00 C ATOM 1089 NZ LYS A 67 1.956 17.153 -11.081 1.00 0.00 N ATOM 0 H LYS A 67 -2.651 14.761 -6.702 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.529 15.487 -8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.861 16.344 -10.331 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.908 17.358 -8.903 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.844 16.518 -8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.896 15.113 -9.132 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.930 17.015 -11.043 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.142 17.943 -9.782 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.402 15.833 -9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.792 15.384 -11.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.839 16.640 -11.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.561 17.514 -11.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.152 17.949 -10.442 1.00 0.00 H new ATOM 1103 N LYS A 68 -3.639 13.530 -10.179 1.00 0.00 N ATOM 1104 CA LYS A 68 -3.354 12.221 -10.753 1.00 0.00 C ATOM 1105 C LYS A 68 -1.930 12.164 -11.297 1.00 0.00 C ATOM 1106 O LYS A 68 -1.467 13.100 -11.950 1.00 0.00 O ATOM 1107 CB LYS A 68 -4.352 11.902 -11.869 1.00 0.00 C ATOM 1108 CG LYS A 68 -4.689 10.425 -11.979 1.00 0.00 C ATOM 1109 CD LYS A 68 -5.885 10.061 -11.115 1.00 0.00 C ATOM 1110 CE LYS A 68 -6.655 8.885 -11.696 1.00 0.00 C ATOM 1111 NZ LYS A 68 -8.082 8.892 -11.272 1.00 0.00 N ATOM 0 H LYS A 68 -4.279 14.101 -10.730 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.452 11.476 -9.963 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.270 12.464 -11.696 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.943 12.245 -12.820 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.900 10.175 -13.019 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.827 9.830 -11.678 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.547 9.814 -10.109 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.547 10.923 -11.026 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.599 8.917 -12.784 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.187 7.953 -11.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.465 7.926 -11.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.152 9.239 -10.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.628 9.515 -11.901 1.00 0.00 H new