USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 517 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 64:sc= 1.38 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -169:sc=-0.00763 (180deg=-0.135) USER MOD Single : A 19 SER OG : rot 180:sc= 0.198 USER MOD Single : A 24 THR OG1 : rot -119:sc= -1.47 USER MOD Single : A 25 MET CE :methyl -110:sc= -3.53! (180deg=-9.95!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00533 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.138 K(o=-0.14,f=-0.9) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -129:sc= 1.31 (180deg=-0.446) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.619 USER MOD Single : A 51 ASN : amide:sc= -0.286 X(o=-0.29,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 144:sc= -0.297 (180deg=-1.77!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0232 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0886) USER MOD Single : A 68 LYS NZ :NH3+ 155:sc= -0.182 (180deg=-1.23) USER MOD ----------------------------------------------------------------- ATOM 88 N GLU A 7 11.383 -8.389 -7.052 1.00 0.00 N ATOM 89 CA GLU A 7 12.424 -8.232 -8.062 1.00 0.00 C ATOM 90 C GLU A 7 12.764 -6.759 -8.269 1.00 0.00 C ATOM 91 O GLU A 7 11.889 -5.944 -8.567 1.00 0.00 O ATOM 92 CB GLU A 7 11.978 -8.855 -9.386 1.00 0.00 C ATOM 93 CG GLU A 7 13.048 -9.705 -10.050 1.00 0.00 C ATOM 94 CD GLU A 7 12.483 -10.956 -10.694 1.00 0.00 C ATOM 95 OE1 GLU A 7 11.565 -10.830 -11.531 1.00 0.00 O ATOM 96 OE2 GLU A 7 12.960 -12.062 -10.362 1.00 0.00 O ATOM 0 HA GLU A 7 13.318 -8.747 -7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 7 11.095 -9.470 -9.209 1.00 0.00 H new ATOM 0 HB3 GLU A 7 11.681 -8.060 -10.070 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.561 -9.111 -10.807 1.00 0.00 H new ATOM 0 HG3 GLU A 7 13.794 -9.988 -9.308 1.00 0.00 H new ATOM 103 N LEU A 8 14.039 -6.424 -8.107 1.00 0.00 N ATOM 104 CA LEU A 8 14.496 -5.049 -8.275 1.00 0.00 C ATOM 105 C LEU A 8 15.876 -5.009 -8.924 1.00 0.00 C ATOM 106 O LEU A 8 16.669 -5.939 -8.779 1.00 0.00 O ATOM 107 CB LEU A 8 14.535 -4.334 -6.923 1.00 0.00 C ATOM 108 CG LEU A 8 13.206 -3.764 -6.427 1.00 0.00 C ATOM 109 CD1 LEU A 8 13.114 -3.865 -4.912 1.00 0.00 C ATOM 110 CD2 LEU A 8 13.044 -2.319 -6.877 1.00 0.00 C ATOM 0 H LEU A 8 14.775 -7.086 -7.859 1.00 0.00 H new ATOM 0 HA LEU A 8 13.792 -4.536 -8.930 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.909 -5.033 -6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.256 -3.519 -6.986 1.00 0.00 H new ATOM 0 HG LEU A 8 12.397 -4.352 -6.860 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.161 -3.454 -4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.184 -4.911 -4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.931 -3.302 -4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.092 -1.930 -6.515 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.859 -1.719 -6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.064 -2.273 -7.966 1.00 0.00 H new ATOM 122 N VAL A 9 16.157 -3.924 -9.639 1.00 0.00 N ATOM 123 CA VAL A 9 17.442 -3.761 -10.308 1.00 0.00 C ATOM 124 C VAL A 9 18.072 -2.415 -9.967 1.00 0.00 C ATOM 125 O VAL A 9 17.374 -1.413 -9.809 1.00 0.00 O ATOM 126 CB VAL A 9 17.298 -3.875 -11.837 1.00 0.00 C ATOM 127 CG1 VAL A 9 16.723 -5.230 -12.220 1.00 0.00 C ATOM 128 CG2 VAL A 9 16.430 -2.748 -12.375 1.00 0.00 C ATOM 0 H VAL A 9 15.512 -3.145 -9.770 1.00 0.00 H new ATOM 0 HA VAL A 9 18.088 -4.563 -9.951 1.00 0.00 H new ATOM 0 HB VAL A 9 18.288 -3.787 -12.285 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.629 -5.292 -13.304 1.00 0.00 H new ATOM 0 HG12 VAL A 9 17.387 -6.020 -11.868 1.00 0.00 H new ATOM 0 HG13 VAL A 9 15.741 -5.351 -11.763 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.339 -2.844 -13.457 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.440 -2.802 -11.921 1.00 0.00 H new ATOM 0 HG23 VAL A 9 16.888 -1.789 -12.133 1.00 0.00 H new ATOM 138 N LEU A 10 19.396 -2.400 -9.854 1.00 0.00 N ATOM 139 CA LEU A 10 20.122 -1.176 -9.532 1.00 0.00 C ATOM 140 C LEU A 10 20.628 -0.494 -10.799 1.00 0.00 C ATOM 141 O LEU A 10 21.049 -1.156 -11.747 1.00 0.00 O ATOM 142 CB LEU A 10 21.296 -1.486 -8.602 1.00 0.00 C ATOM 143 CG LEU A 10 22.189 -0.302 -8.231 1.00 0.00 C ATOM 144 CD1 LEU A 10 21.540 0.535 -7.140 1.00 0.00 C ATOM 145 CD2 LEU A 10 23.562 -0.787 -7.789 1.00 0.00 C ATOM 0 H LEU A 10 19.988 -3.221 -9.980 1.00 0.00 H new ATOM 0 HA LEU A 10 19.435 -0.498 -9.026 1.00 0.00 H new ATOM 0 HB2 LEU A 10 20.901 -1.919 -7.683 1.00 0.00 H new ATOM 0 HB3 LEU A 10 21.916 -2.249 -9.074 1.00 0.00 H new ATOM 0 HG LEU A 10 22.314 0.324 -9.114 1.00 0.00 H new ATOM 0 HD11 LEU A 10 22.190 1.373 -6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 10 20.581 0.913 -7.494 1.00 0.00 H new ATOM 0 HD13 LEU A 10 21.383 -0.080 -6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 10 24.184 0.069 -7.529 1.00 0.00 H new ATOM 0 HD22 LEU A 10 23.456 -1.436 -6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 10 24.031 -1.342 -8.601 1.00 0.00 H new ATOM 157 N ALA A 11 20.586 0.834 -10.807 1.00 0.00 N ATOM 158 CA ALA A 11 21.045 1.606 -11.955 1.00 0.00 C ATOM 159 C ALA A 11 22.507 2.009 -11.797 1.00 0.00 C ATOM 160 O ALA A 11 22.868 2.719 -10.858 1.00 0.00 O ATOM 161 CB ALA A 11 20.173 2.839 -12.144 1.00 0.00 C ATOM 0 H ALA A 11 20.239 1.398 -10.031 1.00 0.00 H new ATOM 0 HA ALA A 11 20.963 0.977 -12.841 1.00 0.00 H new ATOM 0 HB1 ALA A 11 20.527 3.406 -13.005 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.140 2.532 -12.311 1.00 0.00 H new ATOM 0 HB3 ALA A 11 20.226 3.463 -11.252 1.00 0.00 H new ATOM 167 N LEU A 12 23.344 1.551 -12.721 1.00 0.00 N ATOM 168 CA LEU A 12 24.769 1.864 -12.685 1.00 0.00 C ATOM 169 C LEU A 12 25.052 3.197 -13.369 1.00 0.00 C ATOM 170 O LEU A 12 25.814 4.019 -12.859 1.00 0.00 O ATOM 171 CB LEU A 12 25.573 0.750 -13.359 1.00 0.00 C ATOM 172 CG LEU A 12 25.223 -0.678 -12.939 1.00 0.00 C ATOM 173 CD1 LEU A 12 25.805 -1.681 -13.923 1.00 0.00 C ATOM 174 CD2 LEU A 12 25.726 -0.958 -11.530 1.00 0.00 C ATOM 0 H LEU A 12 23.061 0.962 -13.504 1.00 0.00 H new ATOM 0 HA LEU A 12 25.072 1.942 -11.641 1.00 0.00 H new ATOM 0 HB2 LEU A 12 25.438 0.834 -14.437 1.00 0.00 H new ATOM 0 HB3 LEU A 12 26.631 0.918 -13.156 1.00 0.00 H new ATOM 0 HG LEU A 12 24.138 -0.782 -12.944 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.546 -2.692 -13.608 1.00 0.00 H new ATOM 0 HD12 LEU A 12 25.397 -1.495 -14.917 1.00 0.00 H new ATOM 0 HD13 LEU A 12 26.890 -1.576 -13.951 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.468 -1.979 -11.248 1.00 0.00 H new ATOM 0 HD22 LEU A 12 26.809 -0.836 -11.499 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.262 -0.260 -10.833 1.00 0.00 H new ATOM 186 N TYR A 13 24.433 3.405 -14.526 1.00 0.00 N ATOM 187 CA TYR A 13 24.618 4.639 -15.281 1.00 0.00 C ATOM 188 C TYR A 13 23.285 5.346 -15.506 1.00 0.00 C ATOM 189 O TYR A 13 22.235 4.707 -15.571 1.00 0.00 O ATOM 190 CB TYR A 13 25.285 4.343 -16.625 1.00 0.00 C ATOM 191 CG TYR A 13 26.652 3.711 -16.497 1.00 0.00 C ATOM 192 CD1 TYR A 13 27.785 4.490 -16.298 1.00 0.00 C ATOM 193 CD2 TYR A 13 26.811 2.332 -16.574 1.00 0.00 C ATOM 194 CE1 TYR A 13 29.036 3.916 -16.181 1.00 0.00 C ATOM 195 CE2 TYR A 13 28.058 1.749 -16.457 1.00 0.00 C ATOM 196 CZ TYR A 13 29.167 2.546 -16.261 1.00 0.00 C ATOM 197 OH TYR A 13 30.412 1.970 -16.144 1.00 0.00 O ATOM 0 H TYR A 13 23.799 2.735 -14.961 1.00 0.00 H new ATOM 0 HA TYR A 13 25.263 5.298 -14.700 1.00 0.00 H new ATOM 0 HB2 TYR A 13 24.640 3.680 -17.203 1.00 0.00 H new ATOM 0 HB3 TYR A 13 25.375 5.272 -17.189 1.00 0.00 H new ATOM 0 HD1 TYR A 13 27.686 5.564 -16.234 1.00 0.00 H new ATOM 0 HD2 TYR A 13 25.945 1.706 -16.728 1.00 0.00 H new ATOM 0 HE1 TYR A 13 29.906 4.537 -16.028 1.00 0.00 H new ATOM 0 HE2 TYR A 13 28.164 0.676 -16.519 1.00 0.00 H new ATOM 0 HH TYR A 13 30.331 0.996 -16.222 1.00 0.00 H new ATOM 207 N ASP A 14 23.337 6.668 -15.624 1.00 0.00 N ATOM 208 CA ASP A 14 22.135 7.463 -15.844 1.00 0.00 C ATOM 209 C ASP A 14 21.545 7.187 -17.223 1.00 0.00 C ATOM 210 O ASP A 14 22.244 6.733 -18.129 1.00 0.00 O ATOM 211 CB ASP A 14 22.449 8.953 -15.699 1.00 0.00 C ATOM 212 CG ASP A 14 23.481 9.427 -16.704 1.00 0.00 C ATOM 213 OD1 ASP A 14 24.630 8.939 -16.650 1.00 0.00 O ATOM 214 OD2 ASP A 14 23.140 10.284 -17.545 1.00 0.00 O ATOM 0 H ASP A 14 24.198 7.212 -15.571 1.00 0.00 H new ATOM 0 HA ASP A 14 21.400 7.180 -15.091 1.00 0.00 H new ATOM 0 HB2 ASP A 14 21.532 9.529 -15.825 1.00 0.00 H new ATOM 0 HB3 ASP A 14 22.812 9.148 -14.690 1.00 0.00 H new ATOM 219 N TYR A 15 20.254 7.462 -17.375 1.00 0.00 N ATOM 220 CA TYR A 15 19.569 7.240 -18.643 1.00 0.00 C ATOM 221 C TYR A 15 18.681 8.429 -18.998 1.00 0.00 C ATOM 222 O TYR A 15 18.525 9.358 -18.206 1.00 0.00 O ATOM 223 CB TYR A 15 18.729 5.964 -18.576 1.00 0.00 C ATOM 224 CG TYR A 15 18.521 5.304 -19.920 1.00 0.00 C ATOM 225 CD1 TYR A 15 19.603 4.938 -20.711 1.00 0.00 C ATOM 226 CD2 TYR A 15 17.242 5.046 -20.399 1.00 0.00 C ATOM 227 CE1 TYR A 15 19.417 4.336 -21.941 1.00 0.00 C ATOM 228 CE2 TYR A 15 17.047 4.443 -21.626 1.00 0.00 C ATOM 229 CZ TYR A 15 18.138 4.090 -22.394 1.00 0.00 C ATOM 230 OH TYR A 15 17.949 3.490 -23.617 1.00 0.00 O ATOM 0 H TYR A 15 19.661 7.839 -16.636 1.00 0.00 H new ATOM 0 HA TYR A 15 20.325 7.129 -19.421 1.00 0.00 H new ATOM 0 HB2 TYR A 15 19.213 5.255 -17.904 1.00 0.00 H new ATOM 0 HB3 TYR A 15 17.757 6.201 -18.143 1.00 0.00 H new ATOM 0 HD1 TYR A 15 20.606 5.127 -20.359 1.00 0.00 H new ATOM 0 HD2 TYR A 15 16.386 5.322 -19.801 1.00 0.00 H new ATOM 0 HE1 TYR A 15 20.269 4.060 -22.544 1.00 0.00 H new ATOM 0 HE2 TYR A 15 16.046 4.249 -21.983 1.00 0.00 H new ATOM 0 HH TYR A 15 18.324 2.585 -23.599 1.00 0.00 H new ATOM 240 N GLN A 16 18.102 8.390 -20.194 1.00 0.00 N ATOM 241 CA GLN A 16 17.229 9.464 -20.654 1.00 0.00 C ATOM 242 C GLN A 16 16.211 8.942 -21.662 1.00 0.00 C ATOM 243 O GLN A 16 16.494 8.856 -22.857 1.00 0.00 O ATOM 244 CB GLN A 16 18.056 10.588 -21.282 1.00 0.00 C ATOM 245 CG GLN A 16 17.638 11.977 -20.827 1.00 0.00 C ATOM 246 CD GLN A 16 18.744 12.708 -20.092 1.00 0.00 C ATOM 247 OE1 GLN A 16 19.634 13.292 -20.710 1.00 0.00 O ATOM 248 NE2 GLN A 16 18.692 12.680 -18.766 1.00 0.00 N ATOM 0 H GLN A 16 18.221 7.628 -20.861 1.00 0.00 H new ATOM 0 HA GLN A 16 16.691 9.857 -19.791 1.00 0.00 H new ATOM 0 HB2 GLN A 16 19.107 10.435 -21.037 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.970 10.529 -22.367 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.334 12.563 -21.694 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.767 11.895 -20.177 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.935 12.183 -18.296 1.00 0.00 H new ATOM 0 HE22 GLN A 16 19.409 13.155 -18.217 1.00 0.00 H new ATOM 257 N GLU A 17 15.024 8.596 -21.172 1.00 0.00 N ATOM 258 CA GLU A 17 13.964 8.082 -22.031 1.00 0.00 C ATOM 259 C GLU A 17 13.711 9.023 -23.205 1.00 0.00 C ATOM 260 O GLU A 17 13.911 10.234 -23.100 1.00 0.00 O ATOM 261 CB GLU A 17 12.675 7.891 -21.229 1.00 0.00 C ATOM 262 CG GLU A 17 12.165 9.168 -20.584 1.00 0.00 C ATOM 263 CD GLU A 17 10.855 8.967 -19.848 1.00 0.00 C ATOM 264 OE1 GLU A 17 9.789 9.127 -20.480 1.00 0.00 O ATOM 265 OE2 GLU A 17 10.894 8.649 -18.641 1.00 0.00 O ATOM 0 H GLU A 17 14.773 8.662 -20.186 1.00 0.00 H new ATOM 0 HA GLU A 17 14.285 7.117 -22.424 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.903 7.493 -21.888 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.847 7.145 -20.453 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.915 9.543 -19.888 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.033 9.931 -21.352 1.00 0.00 H new ATOM 272 N LYS A 18 13.270 8.458 -24.324 1.00 0.00 N ATOM 273 CA LYS A 18 12.988 9.245 -25.519 1.00 0.00 C ATOM 274 C LYS A 18 11.659 8.830 -26.143 1.00 0.00 C ATOM 275 O LYS A 18 11.302 9.289 -27.228 1.00 0.00 O ATOM 276 CB LYS A 18 14.116 9.081 -26.541 1.00 0.00 C ATOM 277 CG LYS A 18 13.926 7.896 -27.472 1.00 0.00 C ATOM 278 CD LYS A 18 13.779 6.597 -26.699 1.00 0.00 C ATOM 279 CE LYS A 18 15.003 6.317 -25.841 1.00 0.00 C ATOM 280 NZ LYS A 18 16.231 6.149 -26.665 1.00 0.00 N ATOM 0 H LYS A 18 13.100 7.458 -24.428 1.00 0.00 H new ATOM 0 HA LYS A 18 12.921 10.293 -25.226 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.191 9.991 -27.136 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.062 8.968 -26.011 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.042 8.055 -28.089 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.778 7.823 -28.148 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.893 6.648 -26.066 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.626 5.773 -27.396 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.148 7.136 -25.136 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.835 5.416 -25.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.000 5.779 -26.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.041 5.482 -27.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.512 7.069 -27.061 1.00 0.00 H new ATOM 294 N SER A 19 10.931 7.961 -25.449 1.00 0.00 N ATOM 295 CA SER A 19 9.643 7.482 -25.936 1.00 0.00 C ATOM 296 C SER A 19 8.630 7.397 -24.799 1.00 0.00 C ATOM 297 O SER A 19 8.983 7.348 -23.620 1.00 0.00 O ATOM 298 CB SER A 19 9.800 6.112 -26.598 1.00 0.00 C ATOM 299 OG SER A 19 9.085 5.117 -25.887 1.00 0.00 O ATOM 0 H SER A 19 11.211 7.574 -24.548 1.00 0.00 H new ATOM 0 HA SER A 19 9.275 8.194 -26.675 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.440 6.158 -27.626 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.856 5.844 -26.641 1.00 0.00 H new ATOM 0 HG SER A 19 9.200 4.251 -26.331 1.00 0.00 H new ATOM 305 N PRO A 20 7.338 7.377 -25.158 1.00 0.00 N ATOM 306 CA PRO A 20 6.246 7.297 -24.184 1.00 0.00 C ATOM 307 C PRO A 20 6.177 5.935 -23.501 1.00 0.00 C ATOM 308 O PRO A 20 5.690 5.818 -22.376 1.00 0.00 O ATOM 309 CB PRO A 20 4.994 7.533 -25.033 1.00 0.00 C ATOM 310 CG PRO A 20 5.382 7.105 -26.406 1.00 0.00 C ATOM 311 CD PRO A 20 6.843 7.432 -26.544 1.00 0.00 C ATOM 0 HA PRO A 20 6.370 8.016 -23.374 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.149 6.954 -24.662 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.695 8.581 -25.015 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.206 6.039 -26.547 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.792 7.628 -27.159 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.357 6.714 -27.183 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.994 8.417 -26.986 1.00 0.00 H new ATOM 319 N ARG A 21 6.668 4.909 -24.187 1.00 0.00 N ATOM 320 CA ARG A 21 6.662 3.555 -23.647 1.00 0.00 C ATOM 321 C ARG A 21 8.028 3.193 -23.071 1.00 0.00 C ATOM 322 O ARG A 21 8.398 2.020 -23.018 1.00 0.00 O ATOM 323 CB ARG A 21 6.272 2.551 -24.733 1.00 0.00 C ATOM 324 CG ARG A 21 5.637 1.282 -24.190 1.00 0.00 C ATOM 325 CD ARG A 21 5.699 0.150 -25.204 1.00 0.00 C ATOM 326 NE ARG A 21 4.373 -0.372 -25.524 1.00 0.00 N ATOM 327 CZ ARG A 21 3.531 0.225 -26.361 1.00 0.00 C ATOM 328 NH1 ARG A 21 3.876 1.357 -26.959 1.00 0.00 N ATOM 329 NH2 ARG A 21 2.341 -0.311 -26.602 1.00 0.00 N ATOM 0 H ARG A 21 7.075 4.989 -25.119 1.00 0.00 H new ATOM 0 HA ARG A 21 5.926 3.515 -22.844 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.577 3.028 -25.424 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.160 2.286 -25.307 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.148 0.981 -23.275 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.598 1.478 -23.925 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.178 0.506 -26.116 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.320 -0.655 -24.811 1.00 0.00 H new ATOM 0 HE ARG A 21 4.077 -1.242 -25.081 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.790 1.772 -26.777 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.228 1.813 -27.601 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.072 -1.182 -26.145 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.696 0.148 -27.245 1.00 0.00 H new ATOM 343 N GLU A 22 8.772 4.208 -22.642 1.00 0.00 N ATOM 344 CA GLU A 22 10.097 3.995 -22.072 1.00 0.00 C ATOM 345 C GLU A 22 10.258 4.770 -20.767 1.00 0.00 C ATOM 346 O GLU A 22 9.505 5.704 -20.490 1.00 0.00 O ATOM 347 CB GLU A 22 11.179 4.420 -23.068 1.00 0.00 C ATOM 348 CG GLU A 22 12.559 3.882 -22.732 1.00 0.00 C ATOM 349 CD GLU A 22 13.282 3.332 -23.946 1.00 0.00 C ATOM 350 OE1 GLU A 22 12.615 2.731 -24.814 1.00 0.00 O ATOM 351 OE2 GLU A 22 14.517 3.504 -24.029 1.00 0.00 O ATOM 0 H GLU A 22 8.480 5.185 -22.678 1.00 0.00 H new ATOM 0 HA GLU A 22 10.207 2.932 -21.859 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.898 4.079 -24.064 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.221 5.509 -23.103 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.157 4.678 -22.287 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.466 3.096 -21.982 1.00 0.00 H new ATOM 358 N VAL A 23 11.246 4.375 -19.970 1.00 0.00 N ATOM 359 CA VAL A 23 11.507 5.032 -18.694 1.00 0.00 C ATOM 360 C VAL A 23 12.968 5.451 -18.582 1.00 0.00 C ATOM 361 O VAL A 23 13.759 5.245 -19.504 1.00 0.00 O ATOM 362 CB VAL A 23 11.155 4.114 -17.508 1.00 0.00 C ATOM 363 CG1 VAL A 23 9.649 4.065 -17.301 1.00 0.00 C ATOM 364 CG2 VAL A 23 11.717 2.718 -17.730 1.00 0.00 C ATOM 0 H VAL A 23 11.878 3.604 -20.185 1.00 0.00 H new ATOM 0 HA VAL A 23 10.874 5.918 -18.658 1.00 0.00 H new ATOM 0 HB VAL A 23 11.609 4.524 -16.606 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.418 3.412 -16.459 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.277 5.069 -17.094 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.170 3.679 -18.201 1.00 0.00 H new ATOM 0 HG21 VAL A 23 11.459 2.083 -16.883 1.00 0.00 H new ATOM 0 HG22 VAL A 23 11.294 2.296 -18.642 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.801 2.773 -17.825 1.00 0.00 H new ATOM 374 N THR A 24 13.323 6.041 -17.444 1.00 0.00 N ATOM 375 CA THR A 24 14.690 6.490 -17.210 1.00 0.00 C ATOM 376 C THR A 24 15.119 6.218 -15.773 1.00 0.00 C ATOM 377 O THR A 24 14.298 5.872 -14.925 1.00 0.00 O ATOM 378 CB THR A 24 14.845 7.994 -17.504 1.00 0.00 C ATOM 379 OG1 THR A 24 16.227 8.316 -17.694 1.00 0.00 O ATOM 380 CG2 THR A 24 14.275 8.829 -16.368 1.00 0.00 C ATOM 0 H THR A 24 12.682 6.219 -16.670 1.00 0.00 H new ATOM 0 HA THR A 24 15.329 5.927 -17.890 1.00 0.00 H new ATOM 0 HB THR A 24 14.291 8.223 -18.414 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.507 8.966 -17.017 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.396 9.888 -16.598 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.216 8.603 -16.246 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.804 8.596 -15.444 1.00 0.00 H new ATOM 388 N MET A 25 16.411 6.379 -15.506 1.00 0.00 N ATOM 389 CA MET A 25 16.949 6.152 -14.170 1.00 0.00 C ATOM 390 C MET A 25 18.193 7.003 -13.933 1.00 0.00 C ATOM 391 O MET A 25 18.776 7.544 -14.872 1.00 0.00 O ATOM 392 CB MET A 25 17.285 4.672 -13.976 1.00 0.00 C ATOM 393 CG MET A 25 18.354 4.162 -14.928 1.00 0.00 C ATOM 394 SD MET A 25 17.742 2.878 -16.036 1.00 0.00 S ATOM 395 CE MET A 25 19.099 2.759 -17.199 1.00 0.00 C ATOM 0 H MET A 25 17.104 6.666 -16.197 1.00 0.00 H new ATOM 0 HA MET A 25 16.188 6.442 -13.445 1.00 0.00 H new ATOM 0 HB2 MET A 25 17.619 4.515 -12.950 1.00 0.00 H new ATOM 0 HB3 MET A 25 16.379 4.081 -14.110 1.00 0.00 H new ATOM 0 HG2 MET A 25 18.736 4.995 -15.519 1.00 0.00 H new ATOM 0 HG3 MET A 25 19.192 3.770 -14.351 1.00 0.00 H new ATOM 0 HE1 MET A 25 18.787 3.159 -18.164 1.00 0.00 H new ATOM 0 HE2 MET A 25 19.949 3.331 -16.826 1.00 0.00 H new ATOM 0 HE3 MET A 25 19.388 1.714 -17.316 1.00 0.00 H new ATOM 405 N LYS A 26 18.595 7.117 -12.671 1.00 0.00 N ATOM 406 CA LYS A 26 19.770 7.901 -12.310 1.00 0.00 C ATOM 407 C LYS A 26 20.856 7.011 -11.715 1.00 0.00 C ATOM 408 O LYS A 26 20.567 5.963 -11.136 1.00 0.00 O ATOM 409 CB LYS A 26 19.390 8.997 -11.311 1.00 0.00 C ATOM 410 CG LYS A 26 20.315 10.201 -11.348 1.00 0.00 C ATOM 411 CD LYS A 26 19.579 11.481 -10.990 1.00 0.00 C ATOM 412 CE LYS A 26 20.546 12.595 -10.620 1.00 0.00 C ATOM 413 NZ LYS A 26 20.931 12.540 -9.182 1.00 0.00 N ATOM 0 H LYS A 26 18.124 6.676 -11.881 1.00 0.00 H new ATOM 0 HA LYS A 26 20.160 8.363 -13.217 1.00 0.00 H new ATOM 0 HB2 LYS A 26 18.371 9.326 -11.515 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.394 8.577 -10.305 1.00 0.00 H new ATOM 0 HG2 LYS A 26 21.140 10.048 -10.653 1.00 0.00 H new ATOM 0 HG3 LYS A 26 20.750 10.296 -12.343 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.964 11.796 -11.833 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.903 11.292 -10.156 1.00 0.00 H new ATOM 0 HE2 LYS A 26 21.440 12.520 -11.239 1.00 0.00 H new ATOM 0 HE3 LYS A 26 20.088 13.560 -10.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 21.591 13.315 -8.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 20.081 12.637 -8.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 21.391 11.629 -8.980 1.00 0.00 H new ATOM 427 N LYS A 27 22.107 7.435 -11.860 1.00 0.00 N ATOM 428 CA LYS A 27 23.237 6.678 -11.335 1.00 0.00 C ATOM 429 C LYS A 27 23.045 6.371 -9.853 1.00 0.00 C ATOM 430 O LYS A 27 23.236 7.237 -9.000 1.00 0.00 O ATOM 431 CB LYS A 27 24.538 7.457 -11.541 1.00 0.00 C ATOM 432 CG LYS A 27 24.446 8.916 -11.129 1.00 0.00 C ATOM 433 CD LYS A 27 24.332 9.830 -12.337 1.00 0.00 C ATOM 434 CE LYS A 27 25.035 11.158 -12.099 1.00 0.00 C ATOM 435 NZ LYS A 27 25.352 11.854 -13.376 1.00 0.00 N ATOM 0 H LYS A 27 22.364 8.299 -12.337 1.00 0.00 H new ATOM 0 HA LYS A 27 23.295 5.735 -11.879 1.00 0.00 H new ATOM 0 HB2 LYS A 27 25.333 6.977 -10.971 1.00 0.00 H new ATOM 0 HB3 LYS A 27 24.822 7.402 -12.592 1.00 0.00 H new ATOM 0 HG2 LYS A 27 23.581 9.058 -10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 27 25.328 9.187 -10.548 1.00 0.00 H new ATOM 0 HD2 LYS A 27 24.765 9.339 -13.208 1.00 0.00 H new ATOM 0 HD3 LYS A 27 23.280 10.009 -12.562 1.00 0.00 H new ATOM 0 HE2 LYS A 27 24.403 11.798 -11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 27 25.955 10.987 -11.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 25.830 12.754 -13.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 25.976 11.254 -13.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 24.472 12.040 -13.898 1.00 0.00 H new ATOM 449 N GLY A 28 22.668 5.132 -9.553 1.00 0.00 N ATOM 450 CA GLY A 28 22.458 4.733 -8.174 1.00 0.00 C ATOM 451 C GLY A 28 20.989 4.603 -7.825 1.00 0.00 C ATOM 452 O GLY A 28 20.621 4.601 -6.650 1.00 0.00 O ATOM 0 H GLY A 28 22.504 4.397 -10.241 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.956 3.780 -7.995 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.922 5.465 -7.513 1.00 0.00 H new ATOM 456 N ASP A 29 20.147 4.497 -8.847 1.00 0.00 N ATOM 457 CA ASP A 29 18.709 4.367 -8.643 1.00 0.00 C ATOM 458 C ASP A 29 18.301 2.898 -8.576 1.00 0.00 C ATOM 459 O ASP A 29 19.117 2.006 -8.805 1.00 0.00 O ATOM 460 CB ASP A 29 17.947 5.070 -9.767 1.00 0.00 C ATOM 461 CG ASP A 29 17.712 6.539 -9.475 1.00 0.00 C ATOM 462 OD1 ASP A 29 18.319 7.058 -8.516 1.00 0.00 O ATOM 463 OD2 ASP A 29 16.919 7.170 -10.206 1.00 0.00 O ATOM 0 H ASP A 29 20.436 4.499 -9.825 1.00 0.00 H new ATOM 0 HA ASP A 29 18.457 4.840 -7.694 1.00 0.00 H new ATOM 0 HB2 ASP A 29 18.506 4.972 -10.698 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.988 4.574 -9.918 1.00 0.00 H new ATOM 468 N ILE A 30 17.033 2.656 -8.260 1.00 0.00 N ATOM 469 CA ILE A 30 16.517 1.297 -8.163 1.00 0.00 C ATOM 470 C ILE A 30 15.104 1.203 -8.730 1.00 0.00 C ATOM 471 O ILE A 30 14.250 2.042 -8.440 1.00 0.00 O ATOM 472 CB ILE A 30 16.506 0.801 -6.705 1.00 0.00 C ATOM 473 CG1 ILE A 30 17.885 0.990 -6.069 1.00 0.00 C ATOM 474 CG2 ILE A 30 16.085 -0.660 -6.645 1.00 0.00 C ATOM 475 CD1 ILE A 30 17.928 0.631 -4.600 1.00 0.00 C ATOM 0 H ILE A 30 16.345 3.384 -8.067 1.00 0.00 H new ATOM 0 HA ILE A 30 17.184 0.665 -8.749 1.00 0.00 H new ATOM 0 HB ILE A 30 15.783 1.390 -6.142 1.00 0.00 H new ATOM 0 HG12 ILE A 30 18.610 0.378 -6.605 1.00 0.00 H new ATOM 0 HG13 ILE A 30 18.193 2.029 -6.190 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.082 -0.996 -5.608 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.085 -0.768 -7.064 1.00 0.00 H new ATOM 0 HG23 ILE A 30 16.786 -1.265 -7.220 1.00 0.00 H new ATOM 0 HD11 ILE A 30 18.936 0.789 -4.216 1.00 0.00 H new ATOM 0 HD12 ILE A 30 17.227 1.260 -4.051 1.00 0.00 H new ATOM 0 HD13 ILE A 30 17.652 -0.416 -4.473 1.00 0.00 H new ATOM 487 N LEU A 31 14.864 0.177 -9.538 1.00 0.00 N ATOM 488 CA LEU A 31 13.553 -0.029 -10.145 1.00 0.00 C ATOM 489 C LEU A 31 13.108 -1.481 -10.001 1.00 0.00 C ATOM 490 O LEU A 31 13.922 -2.402 -10.078 1.00 0.00 O ATOM 491 CB LEU A 31 13.588 0.362 -11.624 1.00 0.00 C ATOM 492 CG LEU A 31 14.466 1.562 -11.981 1.00 0.00 C ATOM 493 CD1 LEU A 31 14.447 1.809 -13.481 1.00 0.00 C ATOM 494 CD2 LEU A 31 14.006 2.802 -11.228 1.00 0.00 C ATOM 0 H LEU A 31 15.560 -0.526 -9.788 1.00 0.00 H new ATOM 0 HA LEU A 31 12.835 0.604 -9.624 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.932 -0.498 -12.198 1.00 0.00 H new ATOM 0 HB3 LEU A 31 12.569 0.574 -11.947 1.00 0.00 H new ATOM 0 HG LEU A 31 15.491 1.340 -11.683 1.00 0.00 H new ATOM 0 HD11 LEU A 31 15.077 2.667 -13.717 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.825 0.928 -14.000 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.425 2.010 -13.804 1.00 0.00 H new ATOM 0 HD21 LEU A 31 14.642 3.646 -11.494 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.973 3.027 -11.495 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.073 2.622 -10.155 1.00 0.00 H new ATOM 506 N THR A 32 11.810 -1.678 -9.794 1.00 0.00 N ATOM 507 CA THR A 32 11.256 -3.017 -9.640 1.00 0.00 C ATOM 508 C THR A 32 11.189 -3.742 -10.980 1.00 0.00 C ATOM 509 O THR A 32 10.489 -3.310 -11.897 1.00 0.00 O ATOM 510 CB THR A 32 9.845 -2.974 -9.022 1.00 0.00 C ATOM 511 OG1 THR A 32 9.741 -1.870 -8.117 1.00 0.00 O ATOM 512 CG2 THR A 32 9.537 -4.270 -8.287 1.00 0.00 C ATOM 0 H THR A 32 11.123 -0.927 -9.729 1.00 0.00 H new ATOM 0 HA THR A 32 11.922 -3.559 -8.969 1.00 0.00 H new ATOM 0 HB THR A 32 9.122 -2.852 -9.828 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.841 -1.848 -7.730 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.536 -4.217 -7.859 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.589 -5.105 -8.985 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.265 -4.418 -7.489 1.00 0.00 H new ATOM 520 N LEU A 33 11.921 -4.845 -11.087 1.00 0.00 N ATOM 521 CA LEU A 33 11.944 -5.631 -12.316 1.00 0.00 C ATOM 522 C LEU A 33 10.618 -6.356 -12.525 1.00 0.00 C ATOM 523 O LEU A 33 10.073 -6.954 -11.596 1.00 0.00 O ATOM 524 CB LEU A 33 13.091 -6.643 -12.276 1.00 0.00 C ATOM 525 CG LEU A 33 13.503 -7.244 -13.620 1.00 0.00 C ATOM 526 CD1 LEU A 33 12.443 -8.213 -14.120 1.00 0.00 C ATOM 527 CD2 LEU A 33 13.748 -6.144 -14.643 1.00 0.00 C ATOM 0 H LEU A 33 12.506 -5.215 -10.338 1.00 0.00 H new ATOM 0 HA LEU A 33 12.099 -4.948 -13.151 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.962 -6.158 -11.836 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.808 -7.457 -11.608 1.00 0.00 H new ATOM 0 HG LEU A 33 14.432 -7.796 -13.479 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.754 -8.630 -15.078 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.317 -9.019 -13.397 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.497 -7.685 -14.244 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.040 -6.590 -15.594 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.835 -5.564 -14.780 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.544 -5.489 -14.289 1.00 0.00 H new ATOM 539 N LEU A 34 10.106 -6.299 -13.749 1.00 0.00 N ATOM 540 CA LEU A 34 8.844 -6.952 -14.081 1.00 0.00 C ATOM 541 C LEU A 34 9.060 -8.074 -15.091 1.00 0.00 C ATOM 542 O LEU A 34 8.614 -9.202 -14.886 1.00 0.00 O ATOM 543 CB LEU A 34 7.851 -5.932 -14.640 1.00 0.00 C ATOM 544 CG LEU A 34 7.395 -4.839 -13.672 1.00 0.00 C ATOM 545 CD1 LEU A 34 6.317 -3.976 -14.310 1.00 0.00 C ATOM 546 CD2 LEU A 34 6.891 -5.452 -12.374 1.00 0.00 C ATOM 0 H LEU A 34 10.545 -5.808 -14.528 1.00 0.00 H new ATOM 0 HA LEU A 34 8.436 -7.384 -13.167 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.302 -5.454 -15.510 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.970 -6.468 -14.992 1.00 0.00 H new ATOM 0 HG LEU A 34 8.251 -4.204 -13.442 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.005 -3.204 -13.606 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.712 -3.507 -15.211 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.460 -4.597 -14.570 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.571 -4.659 -11.698 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.049 -6.111 -12.586 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.692 -6.026 -11.908 1.00 0.00 H new ATOM 558 N ASN A 35 9.751 -7.756 -16.182 1.00 0.00 N ATOM 559 CA ASN A 35 10.028 -8.738 -17.223 1.00 0.00 C ATOM 560 C ASN A 35 11.497 -8.695 -17.634 1.00 0.00 C ATOM 561 O ASN A 35 12.027 -7.636 -17.971 1.00 0.00 O ATOM 562 CB ASN A 35 9.139 -8.485 -18.442 1.00 0.00 C ATOM 563 CG ASN A 35 8.103 -9.575 -18.638 1.00 0.00 C ATOM 564 OD1 ASN A 35 6.911 -9.363 -18.411 1.00 0.00 O ATOM 565 ND2 ASN A 35 8.554 -10.750 -19.061 1.00 0.00 N ATOM 0 H ASN A 35 10.129 -6.827 -16.367 1.00 0.00 H new ATOM 0 HA ASN A 35 9.810 -9.727 -16.821 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.635 -7.525 -18.328 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.762 -8.414 -19.334 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.904 -11.522 -19.211 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.550 -10.881 -19.236 1.00 0.00 H new ATOM 572 N SER A 36 12.149 -9.853 -17.605 1.00 0.00 N ATOM 573 CA SER A 36 13.557 -9.947 -17.971 1.00 0.00 C ATOM 574 C SER A 36 13.776 -11.043 -19.009 1.00 0.00 C ATOM 575 O SER A 36 14.792 -11.739 -18.991 1.00 0.00 O ATOM 576 CB SER A 36 14.410 -10.225 -16.732 1.00 0.00 C ATOM 577 OG SER A 36 13.853 -11.269 -15.952 1.00 0.00 O ATOM 0 H SER A 36 11.724 -10.739 -17.332 1.00 0.00 H new ATOM 0 HA SER A 36 13.859 -8.994 -18.405 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.421 -10.494 -17.036 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.488 -9.320 -16.130 1.00 0.00 H new ATOM 0 HG SER A 36 14.418 -11.428 -15.167 1.00 0.00 H new ATOM 583 N THR A 37 12.815 -11.191 -19.916 1.00 0.00 N ATOM 584 CA THR A 37 12.901 -12.202 -20.962 1.00 0.00 C ATOM 585 C THR A 37 14.112 -11.966 -21.857 1.00 0.00 C ATOM 586 O THR A 37 14.717 -12.911 -22.362 1.00 0.00 O ATOM 587 CB THR A 37 11.630 -12.220 -21.832 1.00 0.00 C ATOM 588 OG1 THR A 37 11.729 -13.247 -22.824 1.00 0.00 O ATOM 589 CG2 THR A 37 11.418 -10.873 -22.508 1.00 0.00 C ATOM 0 H THR A 37 11.968 -10.623 -19.947 1.00 0.00 H new ATOM 0 HA THR A 37 13.004 -13.165 -20.462 1.00 0.00 H new ATOM 0 HB THR A 37 10.777 -12.423 -21.185 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.916 -13.252 -23.372 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.515 -10.910 -23.117 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.313 -10.098 -21.749 1.00 0.00 H new ATOM 0 HG23 THR A 37 12.274 -10.646 -23.143 1.00 0.00 H new ATOM 597 N ASN A 38 14.461 -10.698 -22.050 1.00 0.00 N ATOM 598 CA ASN A 38 15.602 -10.338 -22.885 1.00 0.00 C ATOM 599 C ASN A 38 16.882 -10.268 -22.057 1.00 0.00 C ATOM 600 O ASN A 38 16.856 -10.435 -20.838 1.00 0.00 O ATOM 601 CB ASN A 38 15.352 -8.994 -23.573 1.00 0.00 C ATOM 602 CG ASN A 38 15.924 -8.949 -24.977 1.00 0.00 C ATOM 603 OD1 ASN A 38 16.770 -8.110 -25.287 1.00 0.00 O ATOM 604 ND2 ASN A 38 15.462 -9.853 -25.833 1.00 0.00 N ATOM 0 H ASN A 38 13.971 -9.903 -21.640 1.00 0.00 H new ATOM 0 HA ASN A 38 15.724 -11.111 -23.644 1.00 0.00 H new ATOM 0 HB2 ASN A 38 14.280 -8.804 -23.614 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.795 -8.196 -22.977 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.809 -9.871 -26.792 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.761 -10.529 -25.531 1.00 0.00 H new ATOM 611 N LYS A 39 18.001 -10.021 -22.729 1.00 0.00 N ATOM 612 CA LYS A 39 19.292 -9.927 -22.057 1.00 0.00 C ATOM 613 C LYS A 39 19.944 -8.572 -22.318 1.00 0.00 C ATOM 614 O LYS A 39 20.995 -8.261 -21.758 1.00 0.00 O ATOM 615 CB LYS A 39 20.218 -11.050 -22.529 1.00 0.00 C ATOM 616 CG LYS A 39 19.548 -12.412 -22.575 1.00 0.00 C ATOM 617 CD LYS A 39 20.550 -13.517 -22.863 1.00 0.00 C ATOM 618 CE LYS A 39 21.122 -13.398 -24.268 1.00 0.00 C ATOM 619 NZ LYS A 39 21.920 -14.597 -24.645 1.00 0.00 N ATOM 0 H LYS A 39 18.040 -9.882 -23.739 1.00 0.00 H new ATOM 0 HA LYS A 39 19.124 -10.029 -20.985 1.00 0.00 H new ATOM 0 HB2 LYS A 39 20.594 -10.806 -23.522 1.00 0.00 H new ATOM 0 HB3 LYS A 39 21.081 -11.101 -21.865 1.00 0.00 H new ATOM 0 HG2 LYS A 39 19.053 -12.607 -21.624 1.00 0.00 H new ATOM 0 HG3 LYS A 39 18.774 -12.412 -23.343 1.00 0.00 H new ATOM 0 HD2 LYS A 39 21.360 -13.474 -22.134 1.00 0.00 H new ATOM 0 HD3 LYS A 39 20.067 -14.487 -22.746 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.309 -13.264 -24.981 1.00 0.00 H new ATOM 0 HE3 LYS A 39 21.750 -12.509 -24.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 22.292 -14.477 -25.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 22.711 -14.711 -23.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 21.315 -15.442 -24.610 1.00 0.00 H new ATOM 633 N ASP A 40 19.312 -7.771 -23.168 1.00 0.00 N ATOM 634 CA ASP A 40 19.829 -6.449 -23.501 1.00 0.00 C ATOM 635 C ASP A 40 18.970 -5.355 -22.874 1.00 0.00 C ATOM 636 O ASP A 40 19.470 -4.291 -22.512 1.00 0.00 O ATOM 637 CB ASP A 40 19.883 -6.266 -25.018 1.00 0.00 C ATOM 638 CG ASP A 40 20.729 -7.324 -25.700 1.00 0.00 C ATOM 639 OD1 ASP A 40 21.958 -7.127 -25.799 1.00 0.00 O ATOM 640 OD2 ASP A 40 20.162 -8.348 -26.135 1.00 0.00 O ATOM 0 H ASP A 40 18.441 -8.014 -23.639 1.00 0.00 H new ATOM 0 HA ASP A 40 20.838 -6.369 -23.097 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.871 -6.299 -25.421 1.00 0.00 H new ATOM 0 HB3 ASP A 40 20.286 -5.279 -25.248 1.00 0.00 H new ATOM 645 N TRP A 41 17.676 -5.626 -22.751 1.00 0.00 N ATOM 646 CA TRP A 41 16.746 -4.664 -22.169 1.00 0.00 C ATOM 647 C TRP A 41 15.674 -5.372 -21.347 1.00 0.00 C ATOM 648 O TRP A 41 15.117 -6.382 -21.776 1.00 0.00 O ATOM 649 CB TRP A 41 16.093 -3.826 -23.268 1.00 0.00 C ATOM 650 CG TRP A 41 17.083 -3.147 -24.165 1.00 0.00 C ATOM 651 CD1 TRP A 41 17.764 -3.708 -25.208 1.00 0.00 C ATOM 652 CD2 TRP A 41 17.505 -1.780 -24.097 1.00 0.00 C ATOM 653 NE1 TRP A 41 18.583 -2.772 -25.792 1.00 0.00 N ATOM 654 CE2 TRP A 41 18.442 -1.581 -25.129 1.00 0.00 C ATOM 655 CE3 TRP A 41 17.180 -0.705 -23.266 1.00 0.00 C ATOM 656 CZ2 TRP A 41 19.057 -0.352 -25.349 1.00 0.00 C ATOM 657 CZ3 TRP A 41 17.792 0.515 -23.485 1.00 0.00 C ATOM 658 CH2 TRP A 41 18.721 0.684 -24.521 1.00 0.00 C ATOM 0 H TRP A 41 17.247 -6.503 -23.046 1.00 0.00 H new ATOM 0 HA TRP A 41 17.309 -4.006 -21.507 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.449 -4.467 -23.870 1.00 0.00 H new ATOM 0 HB3 TRP A 41 15.453 -3.072 -22.809 1.00 0.00 H new ATOM 0 HD1 TRP A 41 17.672 -4.736 -25.527 1.00 0.00 H new ATOM 0 HE1 TRP A 41 19.197 -2.937 -26.590 1.00 0.00 H new ATOM 0 HE3 TRP A 41 16.463 -0.825 -22.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.774 -0.221 -26.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 17.550 1.352 -22.847 1.00 0.00 H new ATOM 0 HH2 TRP A 41 19.180 1.650 -24.668 1.00 0.00 H new ATOM 669 N TRP A 42 15.390 -4.835 -20.166 1.00 0.00 N ATOM 670 CA TRP A 42 14.384 -5.416 -19.285 1.00 0.00 C ATOM 671 C TRP A 42 13.273 -4.414 -18.991 1.00 0.00 C ATOM 672 O TRP A 42 13.403 -3.225 -19.282 1.00 0.00 O ATOM 673 CB TRP A 42 15.028 -5.880 -17.977 1.00 0.00 C ATOM 674 CG TRP A 42 16.205 -6.784 -18.183 1.00 0.00 C ATOM 675 CD1 TRP A 42 16.369 -7.703 -19.180 1.00 0.00 C ATOM 676 CD2 TRP A 42 17.383 -6.856 -17.371 1.00 0.00 C ATOM 677 NE1 TRP A 42 17.577 -8.342 -19.037 1.00 0.00 N ATOM 678 CE2 TRP A 42 18.218 -7.839 -17.935 1.00 0.00 C ATOM 679 CE3 TRP A 42 17.813 -6.183 -16.224 1.00 0.00 C ATOM 680 CZ2 TRP A 42 19.457 -8.166 -17.389 1.00 0.00 C ATOM 681 CZ3 TRP A 42 19.042 -6.509 -15.683 1.00 0.00 C ATOM 682 CH2 TRP A 42 19.853 -7.492 -16.266 1.00 0.00 C ATOM 0 H TRP A 42 15.842 -3.999 -19.797 1.00 0.00 H new ATOM 0 HA TRP A 42 13.947 -6.276 -19.792 1.00 0.00 H new ATOM 0 HB2 TRP A 42 15.345 -5.007 -17.407 1.00 0.00 H new ATOM 0 HB3 TRP A 42 14.281 -6.399 -17.377 1.00 0.00 H new ATOM 0 HD1 TRP A 42 15.654 -7.899 -19.966 1.00 0.00 H new ATOM 0 HE1 TRP A 42 17.938 -9.072 -19.651 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.196 -5.422 -15.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 20.083 -8.924 -17.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 19.384 -5.997 -14.795 1.00 0.00 H new ATOM 0 HH2 TRP A 42 20.809 -7.722 -15.820 1.00 0.00 H new ATOM 693 N LYS A 43 12.180 -4.901 -18.414 1.00 0.00 N ATOM 694 CA LYS A 43 11.046 -4.048 -18.079 1.00 0.00 C ATOM 695 C LYS A 43 10.987 -3.785 -16.578 1.00 0.00 C ATOM 696 O LYS A 43 11.091 -4.709 -15.771 1.00 0.00 O ATOM 697 CB LYS A 43 9.740 -4.694 -18.546 1.00 0.00 C ATOM 698 CG LYS A 43 8.495 -4.007 -18.010 1.00 0.00 C ATOM 699 CD LYS A 43 7.518 -3.674 -19.124 1.00 0.00 C ATOM 700 CE LYS A 43 8.101 -2.656 -20.092 1.00 0.00 C ATOM 701 NZ LYS A 43 7.098 -2.208 -21.097 1.00 0.00 N ATOM 0 H LYS A 43 12.055 -5.883 -18.168 1.00 0.00 H new ATOM 0 HA LYS A 43 11.177 -3.095 -18.592 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.709 -4.685 -19.636 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.730 -5.739 -18.236 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.008 -4.653 -17.279 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.779 -3.093 -17.489 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.257 -4.584 -19.665 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.595 -3.283 -18.695 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.467 -1.794 -19.535 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.959 -3.092 -20.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.500 -2.298 -22.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.245 -2.798 -21.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.848 -1.214 -20.919 1.00 0.00 H new ATOM 715 N VAL A 44 10.817 -2.519 -16.209 1.00 0.00 N ATOM 716 CA VAL A 44 10.742 -2.136 -14.805 1.00 0.00 C ATOM 717 C VAL A 44 9.569 -1.195 -14.554 1.00 0.00 C ATOM 718 O VAL A 44 9.069 -0.552 -15.477 1.00 0.00 O ATOM 719 CB VAL A 44 12.041 -1.453 -14.338 1.00 0.00 C ATOM 720 CG1 VAL A 44 13.212 -2.420 -14.421 1.00 0.00 C ATOM 721 CG2 VAL A 44 12.312 -0.204 -15.163 1.00 0.00 C ATOM 0 H VAL A 44 10.729 -1.742 -16.863 1.00 0.00 H new ATOM 0 HA VAL A 44 10.598 -3.054 -14.235 1.00 0.00 H new ATOM 0 HB VAL A 44 11.920 -1.154 -13.297 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.121 -1.920 -14.087 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.017 -3.283 -13.784 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.338 -2.751 -15.452 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.234 0.266 -14.820 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.413 -0.477 -16.213 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.484 0.495 -15.048 1.00 0.00 H new ATOM 731 N GLU A 45 9.134 -1.120 -13.300 1.00 0.00 N ATOM 732 CA GLU A 45 8.019 -0.257 -12.929 1.00 0.00 C ATOM 733 C GLU A 45 8.499 0.923 -12.089 1.00 0.00 C ATOM 734 O GLU A 45 8.949 0.751 -10.956 1.00 0.00 O ATOM 735 CB GLU A 45 6.966 -1.053 -12.155 1.00 0.00 C ATOM 736 CG GLU A 45 5.579 -0.433 -12.200 1.00 0.00 C ATOM 737 CD GLU A 45 4.677 -0.939 -11.092 1.00 0.00 C ATOM 738 OE1 GLU A 45 5.009 -0.719 -9.908 1.00 0.00 O ATOM 739 OE2 GLU A 45 3.638 -1.556 -11.409 1.00 0.00 O ATOM 0 H GLU A 45 9.537 -1.646 -12.524 1.00 0.00 H new ATOM 0 HA GLU A 45 7.572 0.130 -13.845 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.916 -2.064 -12.560 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.281 -1.142 -11.115 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.667 0.651 -12.125 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.120 -0.649 -13.164 1.00 0.00 H new ATOM 746 N VAL A 46 8.402 2.122 -12.654 1.00 0.00 N ATOM 747 CA VAL A 46 8.825 3.332 -11.959 1.00 0.00 C ATOM 748 C VAL A 46 7.639 4.039 -11.314 1.00 0.00 C ATOM 749 O VAL A 46 6.517 3.980 -11.818 1.00 0.00 O ATOM 750 CB VAL A 46 9.534 4.309 -12.915 1.00 0.00 C ATOM 751 CG1 VAL A 46 10.803 3.684 -13.474 1.00 0.00 C ATOM 752 CG2 VAL A 46 8.597 4.730 -14.037 1.00 0.00 C ATOM 0 H VAL A 46 8.034 2.282 -13.592 1.00 0.00 H new ATOM 0 HA VAL A 46 9.525 3.023 -11.183 1.00 0.00 H new ATOM 0 HB VAL A 46 9.815 5.200 -12.354 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.290 4.389 -14.147 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.479 3.438 -12.655 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.551 2.776 -14.021 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.114 5.420 -14.703 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.283 3.850 -14.599 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.721 5.222 -13.614 1.00 0.00 H new ATOM 762 N LYS A 47 7.893 4.709 -10.195 1.00 0.00 N ATOM 763 CA LYS A 47 6.847 5.430 -9.480 1.00 0.00 C ATOM 764 C LYS A 47 6.805 6.893 -9.909 1.00 0.00 C ATOM 765 O LYS A 47 7.837 7.493 -10.207 1.00 0.00 O ATOM 766 CB LYS A 47 7.076 5.337 -7.970 1.00 0.00 C ATOM 767 CG LYS A 47 7.173 3.911 -7.456 1.00 0.00 C ATOM 768 CD LYS A 47 7.980 3.835 -6.170 1.00 0.00 C ATOM 769 CE LYS A 47 7.331 4.642 -5.056 1.00 0.00 C ATOM 770 NZ LYS A 47 8.089 4.534 -3.779 1.00 0.00 N ATOM 0 H LYS A 47 8.815 4.768 -9.763 1.00 0.00 H new ATOM 0 HA LYS A 47 5.890 4.970 -9.725 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.993 5.869 -7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.260 5.845 -7.455 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.172 3.517 -7.282 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.636 3.280 -8.215 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.074 2.794 -5.859 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.989 4.207 -6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.269 5.689 -5.354 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.310 4.293 -4.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.615 5.098 -3.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.126 3.538 -3.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.056 4.890 -3.918 1.00 0.00 H new ATOM 784 N ALA A 48 5.604 7.462 -9.937 1.00 0.00 N ATOM 785 CA ALA A 48 5.428 8.856 -10.326 1.00 0.00 C ATOM 786 C ALA A 48 4.426 9.558 -9.415 1.00 0.00 C ATOM 787 O ALA A 48 3.648 8.910 -8.714 1.00 0.00 O ATOM 788 CB ALA A 48 4.977 8.946 -11.777 1.00 0.00 C ATOM 0 H ALA A 48 4.739 6.979 -9.695 1.00 0.00 H new ATOM 0 HA ALA A 48 6.389 9.360 -10.223 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.849 9.992 -12.054 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.729 8.489 -12.421 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.029 8.421 -11.897 1.00 0.00 H new ATOM 794 N THR A 49 4.451 10.887 -9.429 1.00 0.00 N ATOM 795 CA THR A 49 3.547 11.677 -8.603 1.00 0.00 C ATOM 796 C THR A 49 3.028 12.892 -9.363 1.00 0.00 C ATOM 797 O THR A 49 3.802 13.755 -9.777 1.00 0.00 O ATOM 798 CB THR A 49 4.238 12.151 -7.310 1.00 0.00 C ATOM 799 OG1 THR A 49 4.741 11.025 -6.582 1.00 0.00 O ATOM 800 CG2 THR A 49 3.270 12.935 -6.436 1.00 0.00 C ATOM 0 H THR A 49 5.088 11.439 -10.004 1.00 0.00 H new ATOM 0 HA THR A 49 2.709 11.030 -8.343 1.00 0.00 H new ATOM 0 HB THR A 49 5.066 12.804 -7.585 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.180 11.335 -5.762 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.780 13.259 -5.529 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.911 13.807 -6.982 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.425 12.301 -6.170 1.00 0.00 H new ATOM 808 N ALA A 50 1.713 12.954 -9.543 1.00 0.00 N ATOM 809 CA ALA A 50 1.090 14.065 -10.251 1.00 0.00 C ATOM 810 C ALA A 50 -0.299 14.362 -9.694 1.00 0.00 C ATOM 811 O ALA A 50 -1.017 13.455 -9.276 1.00 0.00 O ATOM 812 CB ALA A 50 1.010 13.764 -11.740 1.00 0.00 C ATOM 0 H ALA A 50 1.058 12.247 -9.208 1.00 0.00 H new ATOM 0 HA ALA A 50 1.709 14.950 -10.103 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.542 14.603 -12.256 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.014 13.609 -12.134 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.416 12.864 -11.898 1.00 0.00 H new ATOM 818 N ASN A 51 -0.670 15.638 -9.692 1.00 0.00 N ATOM 819 CA ASN A 51 -1.972 16.054 -9.185 1.00 0.00 C ATOM 820 C ASN A 51 -2.171 15.587 -7.747 1.00 0.00 C ATOM 821 O ASN A 51 -3.299 15.377 -7.301 1.00 0.00 O ATOM 822 CB ASN A 51 -3.089 15.500 -10.072 1.00 0.00 C ATOM 823 CG ASN A 51 -2.796 15.679 -11.550 1.00 0.00 C ATOM 824 OD1 ASN A 51 -3.116 16.713 -12.136 1.00 0.00 O ATOM 825 ND2 ASN A 51 -2.185 14.670 -12.158 1.00 0.00 N ATOM 0 H ASN A 51 -0.087 16.402 -10.036 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.009 17.143 -9.203 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.228 14.440 -9.858 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.026 16.000 -9.827 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.962 14.733 -13.151 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.938 13.832 -11.632 1.00 0.00 H new ATOM 832 N GLY A 52 -1.067 15.426 -7.024 1.00 0.00 N ATOM 833 CA GLY A 52 -1.141 14.984 -5.644 1.00 0.00 C ATOM 834 C GLY A 52 -1.466 13.509 -5.523 1.00 0.00 C ATOM 835 O GLY A 52 -1.922 13.049 -4.476 1.00 0.00 O ATOM 0 H GLY A 52 -0.122 15.594 -7.370 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.190 15.185 -5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.901 15.564 -5.120 1.00 0.00 H new ATOM 839 N LYS A 53 -1.234 12.764 -6.599 1.00 0.00 N ATOM 840 CA LYS A 53 -1.506 11.331 -6.611 1.00 0.00 C ATOM 841 C LYS A 53 -0.282 10.550 -7.078 1.00 0.00 C ATOM 842 O LYS A 53 0.418 10.965 -8.002 1.00 0.00 O ATOM 843 CB LYS A 53 -2.697 11.025 -7.521 1.00 0.00 C ATOM 844 CG LYS A 53 -3.932 11.852 -7.206 1.00 0.00 C ATOM 845 CD LYS A 53 -4.537 11.462 -5.868 1.00 0.00 C ATOM 846 CE LYS A 53 -5.468 10.267 -6.005 1.00 0.00 C ATOM 847 NZ LYS A 53 -4.730 8.976 -5.917 1.00 0.00 N ATOM 0 H LYS A 53 -0.858 13.129 -7.474 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.746 11.023 -5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.407 11.201 -8.557 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.947 9.967 -7.435 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.669 12.910 -7.193 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.672 11.717 -7.994 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.741 11.225 -5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.087 12.308 -5.456 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.226 10.306 -5.223 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.991 10.322 -6.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.316 8.274 -5.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.515 8.633 -6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.843 9.118 -5.393 1.00 0.00 H new ATOM 861 N THR A 54 -0.029 9.414 -6.433 1.00 0.00 N ATOM 862 CA THR A 54 1.110 8.575 -6.782 1.00 0.00 C ATOM 863 C THR A 54 0.682 7.405 -7.662 1.00 0.00 C ATOM 864 O THR A 54 -0.238 6.662 -7.319 1.00 0.00 O ATOM 865 CB THR A 54 1.810 8.027 -5.525 1.00 0.00 C ATOM 866 OG1 THR A 54 0.844 7.765 -4.501 1.00 0.00 O ATOM 867 CG2 THR A 54 2.847 9.013 -5.010 1.00 0.00 C ATOM 0 H THR A 54 -0.598 9.055 -5.666 1.00 0.00 H new ATOM 0 HA THR A 54 1.809 9.204 -7.333 1.00 0.00 H new ATOM 0 HB THR A 54 2.315 7.099 -5.793 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.297 7.415 -3.706 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.328 8.604 -4.122 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.597 9.188 -5.781 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.360 9.955 -4.758 1.00 0.00 H new ATOM 875 N TYR A 55 1.354 7.247 -8.796 1.00 0.00 N ATOM 876 CA TYR A 55 1.042 6.169 -9.726 1.00 0.00 C ATOM 877 C TYR A 55 2.310 5.627 -10.378 1.00 0.00 C ATOM 878 O TYR A 55 3.206 6.387 -10.744 1.00 0.00 O ATOM 879 CB TYR A 55 0.072 6.659 -10.802 1.00 0.00 C ATOM 880 CG TYR A 55 0.694 7.629 -11.782 1.00 0.00 C ATOM 881 CD1 TYR A 55 1.371 7.172 -12.906 1.00 0.00 C ATOM 882 CD2 TYR A 55 0.606 9.001 -11.583 1.00 0.00 C ATOM 883 CE1 TYR A 55 1.942 8.053 -13.803 1.00 0.00 C ATOM 884 CE2 TYR A 55 1.173 9.890 -12.476 1.00 0.00 C ATOM 885 CZ TYR A 55 1.840 9.411 -13.584 1.00 0.00 C ATOM 886 OH TYR A 55 2.407 10.293 -14.475 1.00 0.00 O ATOM 0 H TYR A 55 2.119 7.852 -9.094 1.00 0.00 H new ATOM 0 HA TYR A 55 0.572 5.363 -9.162 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.314 5.799 -11.350 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.780 7.139 -10.320 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.452 6.109 -13.081 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.086 9.379 -10.716 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.466 7.681 -14.671 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.094 10.954 -12.307 1.00 0.00 H new ATOM 0 HH TYR A 55 2.244 11.212 -14.175 1.00 0.00 H new ATOM 896 N GLU A 56 2.377 4.306 -10.519 1.00 0.00 N ATOM 897 CA GLU A 56 3.535 3.662 -11.127 1.00 0.00 C ATOM 898 C GLU A 56 3.283 3.367 -12.602 1.00 0.00 C ATOM 899 O GLU A 56 2.140 3.184 -13.023 1.00 0.00 O ATOM 900 CB GLU A 56 3.872 2.366 -10.386 1.00 0.00 C ATOM 901 CG GLU A 56 3.929 2.524 -8.876 1.00 0.00 C ATOM 902 CD GLU A 56 2.566 2.398 -8.224 1.00 0.00 C ATOM 903 OE1 GLU A 56 1.779 1.531 -8.660 1.00 0.00 O ATOM 904 OE2 GLU A 56 2.286 3.165 -7.280 1.00 0.00 O ATOM 0 H GLU A 56 1.644 3.663 -10.221 1.00 0.00 H new ATOM 0 HA GLU A 56 4.380 4.346 -11.052 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.127 1.611 -10.636 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.834 1.995 -10.740 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.597 1.770 -8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.356 3.497 -8.632 1.00 0.00 H new ATOM 911 N ARG A 57 4.357 3.323 -13.383 1.00 0.00 N ATOM 912 CA ARG A 57 4.252 3.052 -14.812 1.00 0.00 C ATOM 913 C ARG A 57 5.299 2.032 -15.250 1.00 0.00 C ATOM 914 O ARG A 57 6.350 1.899 -14.624 1.00 0.00 O ATOM 915 CB ARG A 57 4.419 4.345 -15.612 1.00 0.00 C ATOM 916 CG ARG A 57 5.662 5.137 -15.238 1.00 0.00 C ATOM 917 CD ARG A 57 5.618 6.545 -15.809 1.00 0.00 C ATOM 918 NE ARG A 57 5.748 6.551 -17.263 1.00 0.00 N ATOM 919 CZ ARG A 57 5.673 7.651 -18.004 1.00 0.00 C ATOM 920 NH1 ARG A 57 5.469 8.828 -17.429 1.00 0.00 N ATOM 921 NH2 ARG A 57 5.802 7.575 -19.322 1.00 0.00 N ATOM 0 H ARG A 57 5.310 3.471 -13.051 1.00 0.00 H new ATOM 0 HA ARG A 57 3.262 2.638 -15.006 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.459 4.103 -16.674 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.540 4.972 -15.461 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.751 5.186 -14.153 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.548 4.621 -15.607 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.679 7.021 -15.527 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.420 7.139 -15.371 1.00 0.00 H new ATOM 0 HE ARG A 57 5.905 5.661 -17.736 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.369 8.890 -16.416 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.412 9.671 -18.000 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.959 6.671 -19.768 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.744 8.420 -19.890 1.00 0.00 H new ATOM 935 N GLN A 58 5.003 1.314 -16.329 1.00 0.00 N ATOM 936 CA GLN A 58 5.918 0.305 -16.850 1.00 0.00 C ATOM 937 C GLN A 58 6.816 0.893 -17.934 1.00 0.00 C ATOM 938 O GLN A 58 6.392 1.749 -18.708 1.00 0.00 O ATOM 939 CB GLN A 58 5.136 -0.885 -17.408 1.00 0.00 C ATOM 940 CG GLN A 58 4.921 -2.000 -16.397 1.00 0.00 C ATOM 941 CD GLN A 58 3.592 -2.706 -16.580 1.00 0.00 C ATOM 942 OE1 GLN A 58 2.534 -2.143 -16.299 1.00 0.00 O ATOM 943 NE2 GLN A 58 3.640 -3.945 -17.053 1.00 0.00 N ATOM 0 H GLN A 58 4.137 1.412 -16.859 1.00 0.00 H new ATOM 0 HA GLN A 58 6.547 -0.037 -16.028 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.166 -0.537 -17.764 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.668 -1.286 -18.271 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.729 -2.726 -16.486 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.973 -1.587 -15.390 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.540 -4.373 -17.273 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.777 -4.470 -17.197 1.00 0.00 H new ATOM 952 N GLY A 59 8.060 0.425 -17.983 1.00 0.00 N ATOM 953 CA GLY A 59 8.997 0.916 -18.976 1.00 0.00 C ATOM 954 C GLY A 59 10.162 -0.031 -19.191 1.00 0.00 C ATOM 955 O GLY A 59 10.341 -0.987 -18.437 1.00 0.00 O ATOM 0 H GLY A 59 8.435 -0.285 -17.353 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.475 1.066 -19.921 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.376 1.889 -18.664 1.00 0.00 H new ATOM 959 N PHE A 60 10.955 0.235 -20.224 1.00 0.00 N ATOM 960 CA PHE A 60 12.107 -0.602 -20.538 1.00 0.00 C ATOM 961 C PHE A 60 13.410 0.115 -20.197 1.00 0.00 C ATOM 962 O PHE A 60 13.490 1.342 -20.256 1.00 0.00 O ATOM 963 CB PHE A 60 12.096 -0.987 -22.019 1.00 0.00 C ATOM 964 CG PHE A 60 11.138 -2.097 -22.344 1.00 0.00 C ATOM 965 CD1 PHE A 60 11.389 -3.392 -21.922 1.00 0.00 C ATOM 966 CD2 PHE A 60 9.985 -1.844 -23.070 1.00 0.00 C ATOM 967 CE1 PHE A 60 10.509 -4.415 -22.220 1.00 0.00 C ATOM 968 CE2 PHE A 60 9.101 -2.863 -23.371 1.00 0.00 C ATOM 969 CZ PHE A 60 9.363 -4.151 -22.944 1.00 0.00 C ATOM 0 H PHE A 60 10.821 1.023 -20.857 1.00 0.00 H new ATOM 0 HA PHE A 60 12.042 -1.507 -19.934 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.837 -0.110 -22.612 1.00 0.00 H new ATOM 0 HB3 PHE A 60 13.101 -1.287 -22.315 1.00 0.00 H new ATOM 0 HD1 PHE A 60 12.282 -3.605 -21.354 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.775 -0.839 -23.405 1.00 0.00 H new ATOM 0 HE1 PHE A 60 10.717 -5.421 -21.887 1.00 0.00 H new ATOM 0 HE2 PHE A 60 8.207 -2.653 -23.939 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.673 -4.949 -23.176 1.00 0.00 H new ATOM 979 N VAL A 61 14.429 -0.660 -19.839 1.00 0.00 N ATOM 980 CA VAL A 61 15.728 -0.100 -19.488 1.00 0.00 C ATOM 981 C VAL A 61 16.862 -0.981 -20.000 1.00 0.00 C ATOM 982 O VAL A 61 16.714 -2.192 -20.168 1.00 0.00 O ATOM 983 CB VAL A 61 15.873 0.070 -17.964 1.00 0.00 C ATOM 984 CG1 VAL A 61 14.907 1.126 -17.450 1.00 0.00 C ATOM 985 CG2 VAL A 61 15.649 -1.258 -17.256 1.00 0.00 C ATOM 0 H VAL A 61 14.380 -1.677 -19.785 1.00 0.00 H new ATOM 0 HA VAL A 61 15.789 0.879 -19.963 1.00 0.00 H new ATOM 0 HB VAL A 61 16.888 0.404 -17.749 1.00 0.00 H new ATOM 0 HG11 VAL A 61 15.024 1.232 -16.372 1.00 0.00 H new ATOM 0 HG12 VAL A 61 15.119 2.080 -17.934 1.00 0.00 H new ATOM 0 HG13 VAL A 61 13.884 0.824 -17.676 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.755 -1.119 -16.180 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.646 -1.624 -17.477 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.385 -1.984 -17.603 1.00 0.00 H new ATOM 995 N PRO A 62 18.024 -0.361 -20.255 1.00 0.00 N ATOM 996 CA PRO A 62 19.208 -1.070 -20.751 1.00 0.00 C ATOM 997 C PRO A 62 19.816 -1.989 -19.697 1.00 0.00 C ATOM 998 O PRO A 62 20.295 -1.530 -18.661 1.00 0.00 O ATOM 999 CB PRO A 62 20.179 0.061 -21.098 1.00 0.00 C ATOM 1000 CG PRO A 62 19.764 1.198 -20.229 1.00 0.00 C ATOM 1001 CD PRO A 62 18.272 1.080 -20.077 1.00 0.00 C ATOM 0 HA PRO A 62 18.971 -1.720 -21.593 1.00 0.00 H new ATOM 0 HB2 PRO A 62 21.211 -0.230 -20.903 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.117 0.326 -22.153 1.00 0.00 H new ATOM 0 HG2 PRO A 62 20.260 1.150 -19.260 1.00 0.00 H new ATOM 0 HG3 PRO A 62 20.036 2.153 -20.679 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.939 1.427 -19.099 1.00 0.00 H new ATOM 0 HD3 PRO A 62 17.744 1.674 -20.823 1.00 0.00 H new ATOM 1009 N ALA A 63 19.795 -3.290 -19.970 1.00 0.00 N ATOM 1010 CA ALA A 63 20.347 -4.274 -19.047 1.00 0.00 C ATOM 1011 C ALA A 63 21.853 -4.094 -18.890 1.00 0.00 C ATOM 1012 O ALA A 63 22.465 -4.667 -17.990 1.00 0.00 O ATOM 1013 CB ALA A 63 20.028 -5.683 -19.525 1.00 0.00 C ATOM 0 H ALA A 63 19.401 -3.687 -20.823 1.00 0.00 H new ATOM 0 HA ALA A 63 19.886 -4.120 -18.071 1.00 0.00 H new ATOM 0 HB1 ALA A 63 20.446 -6.408 -18.826 1.00 0.00 H new ATOM 0 HB2 ALA A 63 18.947 -5.813 -19.579 1.00 0.00 H new ATOM 0 HB3 ALA A 63 20.462 -5.839 -20.513 1.00 0.00 H new ATOM 1019 N ALA A 64 22.444 -3.295 -19.773 1.00 0.00 N ATOM 1020 CA ALA A 64 23.879 -3.040 -19.731 1.00 0.00 C ATOM 1021 C ALA A 64 24.217 -1.980 -18.688 1.00 0.00 C ATOM 1022 O ALA A 64 25.358 -1.883 -18.235 1.00 0.00 O ATOM 1023 CB ALA A 64 24.379 -2.612 -21.103 1.00 0.00 C ATOM 0 H ALA A 64 21.952 -2.814 -20.525 1.00 0.00 H new ATOM 0 HA ALA A 64 24.380 -3.965 -19.446 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.452 -2.425 -21.057 1.00 0.00 H new ATOM 0 HB2 ALA A 64 24.179 -3.403 -21.826 1.00 0.00 H new ATOM 0 HB3 ALA A 64 23.865 -1.701 -21.410 1.00 0.00 H new ATOM 1029 N TYR A 65 23.220 -1.187 -18.312 1.00 0.00 N ATOM 1030 CA TYR A 65 23.413 -0.132 -17.325 1.00 0.00 C ATOM 1031 C TYR A 65 22.761 -0.502 -15.996 1.00 0.00 C ATOM 1032 O TYR A 65 23.156 -0.012 -14.939 1.00 0.00 O ATOM 1033 CB TYR A 65 22.836 1.188 -17.839 1.00 0.00 C ATOM 1034 CG TYR A 65 23.449 1.651 -19.141 1.00 0.00 C ATOM 1035 CD1 TYR A 65 24.736 1.270 -19.501 1.00 0.00 C ATOM 1036 CD2 TYR A 65 22.740 2.469 -20.013 1.00 0.00 C ATOM 1037 CE1 TYR A 65 25.300 1.691 -20.689 1.00 0.00 C ATOM 1038 CE2 TYR A 65 23.296 2.894 -21.204 1.00 0.00 C ATOM 1039 CZ TYR A 65 24.576 2.503 -21.538 1.00 0.00 C ATOM 1040 OH TYR A 65 25.133 2.923 -22.723 1.00 0.00 O ATOM 0 H TYR A 65 22.270 -1.255 -18.676 1.00 0.00 H new ATOM 0 HA TYR A 65 24.484 -0.014 -17.162 1.00 0.00 H new ATOM 0 HB2 TYR A 65 21.760 1.077 -17.973 1.00 0.00 H new ATOM 0 HB3 TYR A 65 22.985 1.959 -17.083 1.00 0.00 H new ATOM 0 HD1 TYR A 65 25.305 0.633 -18.840 1.00 0.00 H new ATOM 0 HD2 TYR A 65 21.738 2.777 -19.755 1.00 0.00 H new ATOM 0 HE1 TYR A 65 26.302 1.386 -20.952 1.00 0.00 H new ATOM 0 HE2 TYR A 65 22.731 3.529 -21.870 1.00 0.00 H new ATOM 0 HH TYR A 65 24.492 3.487 -23.204 1.00 0.00 H new ATOM 1050 N VAL A 66 21.758 -1.373 -16.060 1.00 0.00 N ATOM 1051 CA VAL A 66 21.051 -1.812 -14.863 1.00 0.00 C ATOM 1052 C VAL A 66 21.238 -3.307 -14.631 1.00 0.00 C ATOM 1053 O VAL A 66 21.335 -4.087 -15.579 1.00 0.00 O ATOM 1054 CB VAL A 66 19.545 -1.503 -14.956 1.00 0.00 C ATOM 1055 CG1 VAL A 66 19.319 -0.027 -15.249 1.00 0.00 C ATOM 1056 CG2 VAL A 66 18.888 -2.372 -16.018 1.00 0.00 C ATOM 0 H VAL A 66 21.417 -1.788 -16.927 1.00 0.00 H new ATOM 0 HA VAL A 66 21.477 -1.261 -14.024 1.00 0.00 H new ATOM 0 HB VAL A 66 19.085 -1.732 -13.995 1.00 0.00 H new ATOM 0 HG11 VAL A 66 18.249 0.172 -15.311 1.00 0.00 H new ATOM 0 HG12 VAL A 66 19.754 0.573 -14.450 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.792 0.232 -16.196 1.00 0.00 H new ATOM 0 HG21 VAL A 66 17.824 -2.141 -16.070 1.00 0.00 H new ATOM 0 HG22 VAL A 66 19.350 -2.176 -16.986 1.00 0.00 H new ATOM 0 HG23 VAL A 66 19.018 -3.423 -15.760 1.00 0.00 H new ATOM 1066 N LYS A 67 21.287 -3.702 -13.364 1.00 0.00 N ATOM 1067 CA LYS A 67 21.461 -5.105 -13.005 1.00 0.00 C ATOM 1068 C LYS A 67 20.639 -5.456 -11.769 1.00 0.00 C ATOM 1069 O LYS A 67 20.560 -4.675 -10.820 1.00 0.00 O ATOM 1070 CB LYS A 67 22.939 -5.408 -12.750 1.00 0.00 C ATOM 1071 CG LYS A 67 23.174 -6.716 -12.015 1.00 0.00 C ATOM 1072 CD LYS A 67 24.656 -6.989 -11.822 1.00 0.00 C ATOM 1073 CE LYS A 67 25.248 -6.109 -10.732 1.00 0.00 C ATOM 1074 NZ LYS A 67 24.813 -6.540 -9.374 1.00 0.00 N ATOM 0 H LYS A 67 21.209 -3.070 -12.567 1.00 0.00 H new ATOM 0 HA LYS A 67 21.110 -5.714 -13.838 1.00 0.00 H new ATOM 0 HB2 LYS A 67 23.465 -5.438 -13.704 1.00 0.00 H new ATOM 0 HB3 LYS A 67 23.374 -4.593 -12.172 1.00 0.00 H new ATOM 0 HG2 LYS A 67 22.680 -6.683 -11.044 1.00 0.00 H new ATOM 0 HG3 LYS A 67 22.722 -7.535 -12.575 1.00 0.00 H new ATOM 0 HD2 LYS A 67 24.803 -8.038 -11.564 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.184 -6.814 -12.759 1.00 0.00 H new ATOM 0 HE2 LYS A 67 26.336 -6.139 -10.792 1.00 0.00 H new ATOM 0 HE3 LYS A 67 24.948 -5.074 -10.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 25.387 -6.055 -8.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 23.811 -6.298 -9.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 24.937 -7.568 -9.280 1.00 0.00 H new ATOM 1088 N LYS A 68 20.029 -6.636 -11.786 1.00 0.00 N ATOM 1089 CA LYS A 68 19.215 -7.093 -10.666 1.00 0.00 C ATOM 1090 C LYS A 68 20.014 -7.070 -9.367 1.00 0.00 C ATOM 1091 O LYS A 68 21.025 -7.761 -9.235 1.00 0.00 O ATOM 1092 CB LYS A 68 18.694 -8.508 -10.931 1.00 0.00 C ATOM 1093 CG LYS A 68 17.507 -8.891 -10.065 1.00 0.00 C ATOM 1094 CD LYS A 68 16.190 -8.575 -10.754 1.00 0.00 C ATOM 1095 CE LYS A 68 15.883 -9.577 -11.856 1.00 0.00 C ATOM 1096 NZ LYS A 68 15.809 -10.970 -11.335 1.00 0.00 N ATOM 0 H LYS A 68 20.083 -7.294 -12.564 1.00 0.00 H new ATOM 0 HA LYS A 68 18.369 -6.414 -10.564 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.410 -8.591 -11.980 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.501 -9.221 -10.762 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.552 -9.955 -9.834 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.560 -8.357 -9.116 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.384 -8.581 -10.020 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.230 -7.570 -11.175 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.937 -9.316 -12.331 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.653 -9.518 -12.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.211 -11.544 -11.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.765 -11.378 -11.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.400 -10.962 -10.379 1.00 0.00 H new