USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=19 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 Set 1.1: A 43 LYS NZ :NH3+ -126:sc= 0.0231 (180deg=-0.277) USER MOD Set 1.2: A 58 GLN :FLIP amide:sc= -1.1 F(o=-2.1,f=-1.1) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 85:sc= 0.648 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 122:sc= -0.11 (180deg=-0.533) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -113:sc= -1.08 USER MOD Single : A 25 MET CE :methyl -160:sc= -2.26 (180deg=-3.81!) USER MOD Single : A 26 LYS NZ :NH3+ 164:sc= -0.0633 (180deg=-0.497) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0222 USER MOD Single : A 35 ASN : amide:sc= -0.0331 X(o=-0.033,f=0.29) 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= 0.308 K(o=0.31,f=-4.5!) USER MOD Single : A 39 LYS NZ :NH3+ 163:sc= -0.0698 (180deg=-0.369) USER MOD Single : A 47 LYS NZ :NH3+ -129:sc= -0.104 (180deg=-1.29) USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 51 ASN : amide:sc=-0.00916 X(o=-0.0092,f=-0.005) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 55 TYR OH : rot 130:sc= 0.00314 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+ 172:sc= 0 (180deg=-0.0149) USER MOD ----------------------------------------------------------------- ATOM 88 N GLU A 7 12.264 -9.145 -7.252 1.00 0.00 N ATOM 89 CA GLU A 7 13.503 -8.882 -7.974 1.00 0.00 C ATOM 90 C GLU A 7 13.657 -7.393 -8.268 1.00 0.00 C ATOM 91 O GLU A 7 12.699 -6.724 -8.659 1.00 0.00 O ATOM 92 CB GLU A 7 13.536 -9.678 -9.281 1.00 0.00 C ATOM 93 CG GLU A 7 14.687 -9.297 -10.197 1.00 0.00 C ATOM 94 CD GLU A 7 14.690 -10.087 -11.491 1.00 0.00 C ATOM 95 OE1 GLU A 7 13.607 -10.558 -11.899 1.00 0.00 O ATOM 96 OE2 GLU A 7 15.772 -10.234 -12.095 1.00 0.00 O ATOM 0 HA GLU A 7 14.335 -9.197 -7.344 1.00 0.00 H new ATOM 0 HB2 GLU A 7 13.605 -10.741 -9.048 1.00 0.00 H new ATOM 0 HB3 GLU A 7 12.596 -9.528 -9.812 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.627 -8.233 -10.426 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.630 -9.458 -9.675 1.00 0.00 H new ATOM 103 N LEU A 8 14.867 -6.880 -8.077 1.00 0.00 N ATOM 104 CA LEU A 8 15.147 -5.469 -8.321 1.00 0.00 C ATOM 105 C LEU A 8 16.523 -5.288 -8.953 1.00 0.00 C ATOM 106 O LEU A 8 17.418 -6.112 -8.763 1.00 0.00 O ATOM 107 CB LEU A 8 15.066 -4.679 -7.013 1.00 0.00 C ATOM 108 CG LEU A 8 13.660 -4.428 -6.467 1.00 0.00 C ATOM 109 CD1 LEU A 8 13.626 -4.646 -4.962 1.00 0.00 C ATOM 110 CD2 LEU A 8 13.196 -3.021 -6.815 1.00 0.00 C ATOM 0 H LEU A 8 15.670 -7.420 -7.754 1.00 0.00 H new ATOM 0 HA LEU A 8 14.396 -5.090 -9.015 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.639 -5.212 -6.254 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.553 -3.716 -7.163 1.00 0.00 H new ATOM 0 HG LEU A 8 12.977 -5.139 -6.932 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.618 -4.463 -4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.915 -5.672 -4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.321 -3.959 -4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.193 -2.860 -6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.880 -2.294 -6.378 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.182 -2.900 -7.898 1.00 0.00 H new ATOM 122 N VAL A 9 16.686 -4.204 -9.704 1.00 0.00 N ATOM 123 CA VAL A 9 17.955 -3.913 -10.361 1.00 0.00 C ATOM 124 C VAL A 9 18.428 -2.499 -10.042 1.00 0.00 C ATOM 125 O VAL A 9 17.624 -1.571 -9.942 1.00 0.00 O ATOM 126 CB VAL A 9 17.845 -4.072 -11.889 1.00 0.00 C ATOM 127 CG1 VAL A 9 17.422 -5.489 -12.249 1.00 0.00 C ATOM 128 CG2 VAL A 9 16.870 -3.054 -12.462 1.00 0.00 C ATOM 0 H VAL A 9 15.955 -3.513 -9.873 1.00 0.00 H new ATOM 0 HA VAL A 9 18.681 -4.631 -9.979 1.00 0.00 H new ATOM 0 HB VAL A 9 18.826 -3.888 -12.328 1.00 0.00 H new ATOM 0 HG11 VAL A 9 17.349 -5.583 -13.333 1.00 0.00 H new ATOM 0 HG12 VAL A 9 18.161 -6.196 -11.872 1.00 0.00 H new ATOM 0 HG13 VAL A 9 16.452 -5.704 -11.800 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.805 -3.181 -13.543 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.885 -3.204 -12.019 1.00 0.00 H new ATOM 0 HG23 VAL A 9 17.220 -2.047 -12.235 1.00 0.00 H new ATOM 138 N LEU A 10 19.737 -2.341 -9.882 1.00 0.00 N ATOM 139 CA LEU A 10 20.319 -1.040 -9.574 1.00 0.00 C ATOM 140 C LEU A 10 20.746 -0.319 -10.849 1.00 0.00 C ATOM 141 O LEU A 10 21.229 -0.941 -11.794 1.00 0.00 O ATOM 142 CB LEU A 10 21.520 -1.204 -8.641 1.00 0.00 C ATOM 143 CG LEU A 10 21.915 0.032 -7.832 1.00 0.00 C ATOM 144 CD1 LEU A 10 22.657 -0.373 -6.567 1.00 0.00 C ATOM 145 CD2 LEU A 10 22.765 0.972 -8.674 1.00 0.00 C ATOM 0 H LEU A 10 20.416 -3.098 -9.961 1.00 0.00 H new ATOM 0 HA LEU A 10 19.559 -0.439 -9.075 1.00 0.00 H new ATOM 0 HB2 LEU A 10 21.306 -2.016 -7.946 1.00 0.00 H new ATOM 0 HB3 LEU A 10 22.379 -1.513 -9.237 1.00 0.00 H new ATOM 0 HG LEU A 10 21.006 0.559 -7.542 1.00 0.00 H new ATOM 0 HD11 LEU A 10 22.930 0.519 -6.004 1.00 0.00 H new ATOM 0 HD12 LEU A 10 22.014 -1.006 -5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 10 23.559 -0.923 -6.835 1.00 0.00 H new ATOM 0 HD21 LEU A 10 23.037 1.846 -8.082 1.00 0.00 H new ATOM 0 HD22 LEU A 10 23.670 0.456 -8.995 1.00 0.00 H new ATOM 0 HD23 LEU A 10 22.198 1.289 -9.550 1.00 0.00 H new ATOM 157 N ALA A 11 20.566 0.998 -10.866 1.00 0.00 N ATOM 158 CA ALA A 11 20.936 1.804 -12.023 1.00 0.00 C ATOM 159 C ALA A 11 22.374 2.299 -11.909 1.00 0.00 C ATOM 160 O ALA A 11 22.654 3.267 -11.199 1.00 0.00 O ATOM 161 CB ALA A 11 19.981 2.980 -12.174 1.00 0.00 C ATOM 0 H ALA A 11 20.166 1.529 -10.092 1.00 0.00 H new ATOM 0 HA ALA A 11 20.865 1.176 -12.911 1.00 0.00 H new ATOM 0 HB1 ALA A 11 20.269 3.573 -13.042 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.965 2.609 -12.309 1.00 0.00 H new ATOM 0 HB3 ALA A 11 20.024 3.601 -11.279 1.00 0.00 H new ATOM 167 N LEU A 12 23.282 1.631 -12.611 1.00 0.00 N ATOM 168 CA LEU A 12 24.692 2.003 -12.589 1.00 0.00 C ATOM 169 C LEU A 12 24.898 3.394 -13.179 1.00 0.00 C ATOM 170 O LEU A 12 25.585 4.232 -12.595 1.00 0.00 O ATOM 171 CB LEU A 12 25.522 0.979 -13.365 1.00 0.00 C ATOM 172 CG LEU A 12 25.247 -0.490 -13.043 1.00 0.00 C ATOM 173 CD1 LEU A 12 25.968 -1.397 -14.029 1.00 0.00 C ATOM 174 CD2 LEU A 12 25.667 -0.812 -11.616 1.00 0.00 C ATOM 0 H LEU A 12 23.067 0.829 -13.203 1.00 0.00 H new ATOM 0 HA LEU A 12 25.022 2.017 -11.550 1.00 0.00 H new ATOM 0 HB2 LEU A 12 25.351 1.135 -14.430 1.00 0.00 H new ATOM 0 HB3 LEU A 12 26.577 1.180 -13.179 1.00 0.00 H new ATOM 0 HG LEU A 12 24.175 -0.667 -13.134 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.760 -2.439 -13.784 1.00 0.00 H new ATOM 0 HD12 LEU A 12 25.619 -1.186 -15.040 1.00 0.00 H new ATOM 0 HD13 LEU A 12 27.042 -1.217 -13.971 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.464 -1.862 -11.405 1.00 0.00 H new ATOM 0 HD22 LEU A 12 26.733 -0.618 -11.498 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.105 -0.187 -10.922 1.00 0.00 H new ATOM 186 N TYR A 13 24.297 3.633 -14.340 1.00 0.00 N ATOM 187 CA TYR A 13 24.414 4.923 -15.010 1.00 0.00 C ATOM 188 C TYR A 13 23.039 5.527 -15.274 1.00 0.00 C ATOM 189 O TYR A 13 22.117 4.834 -15.705 1.00 0.00 O ATOM 190 CB TYR A 13 25.178 4.769 -16.326 1.00 0.00 C ATOM 191 CG TYR A 13 26.524 4.098 -16.171 1.00 0.00 C ATOM 192 CD1 TYR A 13 27.665 4.840 -15.896 1.00 0.00 C ATOM 193 CD2 TYR A 13 26.653 2.720 -16.299 1.00 0.00 C ATOM 194 CE1 TYR A 13 28.897 4.231 -15.755 1.00 0.00 C ATOM 195 CE2 TYR A 13 27.881 2.102 -16.157 1.00 0.00 C ATOM 196 CZ TYR A 13 28.999 2.862 -15.886 1.00 0.00 C ATOM 197 OH TYR A 13 30.224 2.251 -15.744 1.00 0.00 O ATOM 0 H TYR A 13 23.724 2.950 -14.836 1.00 0.00 H new ATOM 0 HA TYR A 13 24.965 5.596 -14.354 1.00 0.00 H new ATOM 0 HB2 TYR A 13 24.571 4.191 -17.023 1.00 0.00 H new ATOM 0 HB3 TYR A 13 25.322 5.754 -16.770 1.00 0.00 H new ATOM 0 HD1 TYR A 13 27.588 5.912 -15.790 1.00 0.00 H new ATOM 0 HD2 TYR A 13 25.779 2.122 -16.513 1.00 0.00 H new ATOM 0 HE1 TYR A 13 29.775 4.823 -15.543 1.00 0.00 H new ATOM 0 HE2 TYR A 13 27.964 1.030 -16.258 1.00 0.00 H new ATOM 0 HH TYR A 13 30.123 1.284 -15.865 1.00 0.00 H new ATOM 207 N ASP A 14 22.909 6.822 -15.013 1.00 0.00 N ATOM 208 CA ASP A 14 21.646 7.522 -15.224 1.00 0.00 C ATOM 209 C ASP A 14 21.127 7.292 -16.640 1.00 0.00 C ATOM 210 O ASP A 14 21.871 6.864 -17.523 1.00 0.00 O ATOM 211 CB ASP A 14 21.820 9.020 -14.968 1.00 0.00 C ATOM 212 CG ASP A 14 23.004 9.601 -15.716 1.00 0.00 C ATOM 213 OD1 ASP A 14 24.142 9.473 -15.218 1.00 0.00 O ATOM 214 OD2 ASP A 14 22.793 10.184 -16.800 1.00 0.00 O ATOM 0 H ASP A 14 23.662 7.409 -14.655 1.00 0.00 H new ATOM 0 HA ASP A 14 20.916 7.123 -14.520 1.00 0.00 H new ATOM 0 HB2 ASP A 14 20.912 9.545 -15.266 1.00 0.00 H new ATOM 0 HB3 ASP A 14 21.950 9.190 -13.899 1.00 0.00 H new ATOM 219 N TYR A 15 19.847 7.577 -16.848 1.00 0.00 N ATOM 220 CA TYR A 15 19.227 7.397 -18.156 1.00 0.00 C ATOM 221 C TYR A 15 18.320 8.576 -18.495 1.00 0.00 C ATOM 222 O TYR A 15 18.050 9.428 -17.649 1.00 0.00 O ATOM 223 CB TYR A 15 18.424 6.096 -18.189 1.00 0.00 C ATOM 224 CG TYR A 15 18.269 5.515 -19.576 1.00 0.00 C ATOM 225 CD1 TYR A 15 19.374 5.303 -20.390 1.00 0.00 C ATOM 226 CD2 TYR A 15 17.015 5.178 -20.073 1.00 0.00 C ATOM 227 CE1 TYR A 15 19.236 4.774 -21.659 1.00 0.00 C ATOM 228 CE2 TYR A 15 16.868 4.647 -21.339 1.00 0.00 C ATOM 229 CZ TYR A 15 17.981 4.448 -22.129 1.00 0.00 C ATOM 230 OH TYR A 15 17.840 3.919 -23.391 1.00 0.00 O ATOM 0 H TYR A 15 19.218 7.934 -16.128 1.00 0.00 H new ATOM 0 HA TYR A 15 20.020 7.345 -18.902 1.00 0.00 H new ATOM 0 HB2 TYR A 15 18.912 5.361 -17.549 1.00 0.00 H new ATOM 0 HB3 TYR A 15 17.435 6.278 -17.768 1.00 0.00 H new ATOM 0 HD1 TYR A 15 20.358 5.556 -20.025 1.00 0.00 H new ATOM 0 HD2 TYR A 15 16.141 5.334 -19.458 1.00 0.00 H new ATOM 0 HE1 TYR A 15 20.106 4.617 -22.279 1.00 0.00 H new ATOM 0 HE2 TYR A 15 15.887 4.389 -21.709 1.00 0.00 H new ATOM 0 HH TYR A 15 17.986 2.950 -23.358 1.00 0.00 H new ATOM 240 N GLN A 16 17.852 8.616 -19.738 1.00 0.00 N ATOM 241 CA GLN A 16 16.975 9.689 -20.190 1.00 0.00 C ATOM 242 C GLN A 16 15.948 9.169 -21.190 1.00 0.00 C ATOM 243 O GLN A 16 16.204 9.131 -22.393 1.00 0.00 O ATOM 244 CB GLN A 16 17.795 10.815 -20.822 1.00 0.00 C ATOM 245 CG GLN A 16 17.725 12.125 -20.053 1.00 0.00 C ATOM 246 CD GLN A 16 16.887 13.172 -20.759 1.00 0.00 C ATOM 247 OE1 GLN A 16 17.296 13.728 -21.778 1.00 0.00 O ATOM 248 NE2 GLN A 16 15.705 13.446 -20.220 1.00 0.00 N ATOM 0 H GLN A 16 18.066 7.918 -20.450 1.00 0.00 H new ATOM 0 HA GLN A 16 16.444 10.079 -19.322 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.836 10.500 -20.892 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.443 10.982 -21.840 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.309 11.939 -19.063 1.00 0.00 H new ATOM 0 HG3 GLN A 16 18.734 12.511 -19.907 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.405 12.961 -19.374 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.096 14.141 -20.652 1.00 0.00 H new ATOM 257 N GLU A 17 14.786 8.769 -20.684 1.00 0.00 N ATOM 258 CA GLU A 17 13.721 8.249 -21.535 1.00 0.00 C ATOM 259 C GLU A 17 13.378 9.240 -22.643 1.00 0.00 C ATOM 260 O GLU A 17 13.453 10.454 -22.452 1.00 0.00 O ATOM 261 CB GLU A 17 12.474 7.948 -20.701 1.00 0.00 C ATOM 262 CG GLU A 17 11.878 9.175 -20.032 1.00 0.00 C ATOM 263 CD GLU A 17 10.997 9.979 -20.967 1.00 0.00 C ATOM 264 OE1 GLU A 17 10.040 9.402 -21.525 1.00 0.00 O ATOM 265 OE2 GLU A 17 11.263 11.187 -21.140 1.00 0.00 O ATOM 0 H GLU A 17 14.558 8.795 -19.690 1.00 0.00 H new ATOM 0 HA GLU A 17 14.075 7.326 -21.994 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.720 7.492 -21.342 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.727 7.214 -19.936 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.294 8.864 -19.166 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.683 9.810 -19.662 1.00 0.00 H new ATOM 272 N LYS A 18 13.003 8.713 -23.804 1.00 0.00 N ATOM 273 CA LYS A 18 12.648 9.549 -24.945 1.00 0.00 C ATOM 274 C LYS A 18 11.182 9.358 -25.323 1.00 0.00 C ATOM 275 O LYS A 18 10.580 10.219 -25.965 1.00 0.00 O ATOM 276 CB LYS A 18 13.542 9.220 -26.142 1.00 0.00 C ATOM 277 CG LYS A 18 15.013 9.096 -25.787 1.00 0.00 C ATOM 278 CD LYS A 18 15.388 7.661 -25.457 1.00 0.00 C ATOM 279 CE LYS A 18 15.664 6.853 -26.716 1.00 0.00 C ATOM 280 NZ LYS A 18 16.862 7.355 -27.445 1.00 0.00 N ATOM 0 H LYS A 18 12.937 7.710 -23.979 1.00 0.00 H new ATOM 0 HA LYS A 18 12.800 10.591 -24.662 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.205 8.285 -26.590 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.424 9.997 -26.898 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.620 9.449 -26.620 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.238 9.737 -24.935 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.270 7.652 -24.817 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.581 7.193 -24.893 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.812 5.806 -26.451 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.795 6.895 -27.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.558 6.588 -27.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.580 7.684 -28.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.285 8.144 -26.915 1.00 0.00 H new ATOM 294 N SER A 19 10.614 8.226 -24.921 1.00 0.00 N ATOM 295 CA SER A 19 9.220 7.922 -25.220 1.00 0.00 C ATOM 296 C SER A 19 8.431 7.674 -23.938 1.00 0.00 C ATOM 297 O SER A 19 8.991 7.393 -22.878 1.00 0.00 O ATOM 298 CB SER A 19 9.128 6.698 -26.134 1.00 0.00 C ATOM 299 OG SER A 19 9.081 7.082 -27.497 1.00 0.00 O ATOM 0 H SER A 19 11.098 7.504 -24.387 1.00 0.00 H new ATOM 0 HA SER A 19 8.788 8.782 -25.731 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.987 6.049 -25.965 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.238 6.120 -25.885 1.00 0.00 H new ATOM 0 HG SER A 19 9.024 6.282 -28.060 1.00 0.00 H new ATOM 305 N PRO A 20 7.097 7.780 -24.035 1.00 0.00 N ATOM 306 CA PRO A 20 6.201 7.570 -22.894 1.00 0.00 C ATOM 307 C PRO A 20 6.152 6.111 -22.456 1.00 0.00 C ATOM 308 O PRO A 20 5.983 5.813 -21.273 1.00 0.00 O ATOM 309 CB PRO A 20 4.837 8.015 -23.428 1.00 0.00 C ATOM 310 CG PRO A 20 4.930 7.831 -24.903 1.00 0.00 C ATOM 311 CD PRO A 20 6.362 8.111 -25.267 1.00 0.00 C ATOM 0 HA PRO A 20 6.529 8.120 -22.012 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.031 7.416 -23.004 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.631 9.054 -23.171 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.646 6.818 -25.188 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.255 8.510 -25.424 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.690 7.499 -26.107 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.508 9.152 -25.555 1.00 0.00 H new ATOM 319 N ARG A 21 6.300 5.204 -23.416 1.00 0.00 N ATOM 320 CA ARG A 21 6.271 3.775 -23.129 1.00 0.00 C ATOM 321 C ARG A 21 7.512 3.352 -22.349 1.00 0.00 C ATOM 322 O ARG A 21 7.469 2.411 -21.558 1.00 0.00 O ATOM 323 CB ARG A 21 6.175 2.974 -24.428 1.00 0.00 C ATOM 324 CG ARG A 21 7.287 3.281 -25.418 1.00 0.00 C ATOM 325 CD ARG A 21 7.133 2.475 -26.697 1.00 0.00 C ATOM 326 NE ARG A 21 7.549 1.086 -26.522 1.00 0.00 N ATOM 327 CZ ARG A 21 7.825 0.268 -27.532 1.00 0.00 C ATOM 328 NH1 ARG A 21 7.731 0.698 -28.782 1.00 0.00 N ATOM 329 NH2 ARG A 21 8.198 -0.983 -27.292 1.00 0.00 N ATOM 0 H ARG A 21 6.441 5.434 -24.400 1.00 0.00 H new ATOM 0 HA ARG A 21 5.392 3.571 -22.518 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.195 1.910 -24.191 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.214 3.178 -24.900 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.281 4.345 -25.654 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.252 3.061 -24.962 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.093 2.504 -27.021 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.726 2.934 -27.488 1.00 0.00 H new ATOM 0 HE ARG A 21 7.632 0.724 -25.572 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.446 1.659 -28.971 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.944 0.068 -29.555 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.273 -1.317 -26.331 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.410 -1.610 -28.068 1.00 0.00 H new ATOM 343 N GLU A 22 8.617 4.055 -22.579 1.00 0.00 N ATOM 344 CA GLU A 22 9.871 3.750 -21.898 1.00 0.00 C ATOM 345 C GLU A 22 9.941 4.456 -20.547 1.00 0.00 C ATOM 346 O GLU A 22 9.029 5.191 -20.170 1.00 0.00 O ATOM 347 CB GLU A 22 11.061 4.165 -22.765 1.00 0.00 C ATOM 348 CG GLU A 22 12.260 3.241 -22.636 1.00 0.00 C ATOM 349 CD GLU A 22 12.499 2.417 -23.886 1.00 0.00 C ATOM 350 OE1 GLU A 22 11.526 2.177 -24.632 1.00 0.00 O ATOM 351 OE2 GLU A 22 13.657 2.011 -24.118 1.00 0.00 O ATOM 0 H GLU A 22 8.670 4.838 -23.230 1.00 0.00 H new ATOM 0 HA GLU A 22 9.912 2.674 -21.729 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.747 4.195 -23.808 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.362 5.177 -22.494 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.149 3.834 -22.421 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.109 2.573 -21.788 1.00 0.00 H new ATOM 358 N VAL A 23 11.031 4.225 -19.821 1.00 0.00 N ATOM 359 CA VAL A 23 11.221 4.837 -18.512 1.00 0.00 C ATOM 360 C VAL A 23 12.657 5.319 -18.335 1.00 0.00 C ATOM 361 O VAL A 23 13.543 4.968 -19.114 1.00 0.00 O ATOM 362 CB VAL A 23 10.877 3.854 -17.377 1.00 0.00 C ATOM 363 CG1 VAL A 23 9.370 3.729 -17.217 1.00 0.00 C ATOM 364 CG2 VAL A 23 11.508 2.495 -17.640 1.00 0.00 C ATOM 0 H VAL A 23 11.795 3.618 -20.118 1.00 0.00 H new ATOM 0 HA VAL A 23 10.545 5.690 -18.460 1.00 0.00 H new ATOM 0 HB VAL A 23 11.286 4.245 -16.445 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.146 3.030 -16.411 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.947 4.705 -16.979 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.935 3.362 -18.146 1.00 0.00 H new ATOM 0 HG21 VAL A 23 11.255 1.813 -16.828 1.00 0.00 H new ATOM 0 HG22 VAL A 23 11.131 2.095 -18.581 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.591 2.602 -17.699 1.00 0.00 H new ATOM 374 N THR A 24 12.881 6.126 -17.302 1.00 0.00 N ATOM 375 CA THR A 24 14.209 6.658 -17.022 1.00 0.00 C ATOM 376 C THR A 24 14.616 6.388 -15.578 1.00 0.00 C ATOM 377 O THR A 24 13.765 6.193 -14.710 1.00 0.00 O ATOM 378 CB THR A 24 14.275 8.174 -17.287 1.00 0.00 C ATOM 379 OG1 THR A 24 15.615 8.555 -17.618 1.00 0.00 O ATOM 380 CG2 THR A 24 13.805 8.957 -16.071 1.00 0.00 C ATOM 0 H THR A 24 12.160 6.425 -16.646 1.00 0.00 H new ATOM 0 HA THR A 24 14.901 6.149 -17.693 1.00 0.00 H new ATOM 0 HB THR A 24 13.615 8.404 -18.124 1.00 0.00 H new ATOM 0 HG1 THR A 24 15.978 9.126 -16.909 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.861 10.025 -16.282 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.775 8.686 -15.840 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.442 8.722 -15.218 1.00 0.00 H new ATOM 388 N MET A 25 15.921 6.378 -15.328 1.00 0.00 N ATOM 389 CA MET A 25 16.439 6.134 -13.987 1.00 0.00 C ATOM 390 C MET A 25 17.584 7.088 -13.664 1.00 0.00 C ATOM 391 O MET A 25 18.046 7.835 -14.528 1.00 0.00 O ATOM 392 CB MET A 25 16.916 4.685 -13.857 1.00 0.00 C ATOM 393 CG MET A 25 15.904 3.666 -14.356 1.00 0.00 C ATOM 394 SD MET A 25 16.665 2.092 -14.797 1.00 0.00 S ATOM 395 CE MET A 25 17.761 2.603 -16.118 1.00 0.00 C ATOM 0 H MET A 25 16.638 6.536 -16.036 1.00 0.00 H new ATOM 0 HA MET A 25 15.632 6.309 -13.276 1.00 0.00 H new ATOM 0 HB2 MET A 25 17.845 4.565 -14.414 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.143 4.478 -12.811 1.00 0.00 H new ATOM 0 HG2 MET A 25 15.152 3.498 -13.585 1.00 0.00 H new ATOM 0 HG3 MET A 25 15.385 4.070 -15.225 1.00 0.00 H new ATOM 0 HE1 MET A 25 18.029 1.737 -16.724 1.00 0.00 H new ATOM 0 HE2 MET A 25 17.258 3.341 -16.743 1.00 0.00 H new ATOM 0 HE3 MET A 25 18.664 3.042 -15.693 1.00 0.00 H new ATOM 405 N LYS A 26 18.039 7.060 -12.416 1.00 0.00 N ATOM 406 CA LYS A 26 19.131 7.922 -11.979 1.00 0.00 C ATOM 407 C LYS A 26 20.275 7.098 -11.398 1.00 0.00 C ATOM 408 O LYS A 26 20.060 6.014 -10.854 1.00 0.00 O ATOM 409 CB LYS A 26 18.630 8.925 -10.937 1.00 0.00 C ATOM 410 CG LYS A 26 17.397 9.694 -11.377 1.00 0.00 C ATOM 411 CD LYS A 26 17.729 10.713 -12.454 1.00 0.00 C ATOM 412 CE LYS A 26 16.508 11.532 -12.843 1.00 0.00 C ATOM 413 NZ LYS A 26 15.831 12.118 -11.653 1.00 0.00 N ATOM 0 H LYS A 26 17.668 6.449 -11.688 1.00 0.00 H new ATOM 0 HA LYS A 26 19.503 8.465 -12.848 1.00 0.00 H new ATOM 0 HB2 LYS A 26 18.406 8.394 -10.012 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.428 9.632 -10.713 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.648 8.997 -11.753 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.958 10.201 -10.518 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.516 11.378 -12.097 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.120 10.200 -13.333 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.808 12.331 -13.521 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.805 10.900 -13.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.184 12.873 -11.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.291 11.378 -11.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.544 12.513 -11.007 1.00 0.00 H new ATOM 427 N LYS A 27 21.492 7.619 -11.515 1.00 0.00 N ATOM 428 CA LYS A 27 22.671 6.933 -10.999 1.00 0.00 C ATOM 429 C LYS A 27 22.477 6.542 -9.538 1.00 0.00 C ATOM 430 O LYS A 27 22.404 7.400 -8.659 1.00 0.00 O ATOM 431 CB LYS A 27 23.907 7.825 -11.139 1.00 0.00 C ATOM 432 CG LYS A 27 23.679 9.256 -10.686 1.00 0.00 C ATOM 433 CD LYS A 27 23.542 10.200 -11.869 1.00 0.00 C ATOM 434 CE LYS A 27 24.178 11.551 -11.581 1.00 0.00 C ATOM 435 NZ LYS A 27 23.404 12.670 -12.186 1.00 0.00 N ATOM 0 H LYS A 27 21.688 8.514 -11.963 1.00 0.00 H new ATOM 0 HA LYS A 27 22.817 6.025 -11.584 1.00 0.00 H new ATOM 0 HB2 LYS A 27 24.723 7.395 -10.558 1.00 0.00 H new ATOM 0 HB3 LYS A 27 24.225 7.829 -12.181 1.00 0.00 H new ATOM 0 HG2 LYS A 27 22.779 9.306 -10.073 1.00 0.00 H new ATOM 0 HG3 LYS A 27 24.510 9.577 -10.058 1.00 0.00 H new ATOM 0 HD2 LYS A 27 24.011 9.756 -12.747 1.00 0.00 H new ATOM 0 HD3 LYS A 27 22.487 10.337 -12.106 1.00 0.00 H new ATOM 0 HE2 LYS A 27 24.246 11.698 -10.503 1.00 0.00 H new ATOM 0 HE3 LYS A 27 25.197 11.563 -11.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 23.871 13.573 -11.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 23.361 12.544 -13.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 22.440 12.675 -11.797 1.00 0.00 H new ATOM 449 N GLY A 28 22.395 5.239 -9.284 1.00 0.00 N ATOM 450 CA GLY A 28 22.211 4.757 -7.928 1.00 0.00 C ATOM 451 C GLY A 28 20.757 4.477 -7.604 1.00 0.00 C ATOM 452 O GLY A 28 20.384 4.368 -6.435 1.00 0.00 O ATOM 0 H GLY A 28 22.453 4.509 -9.994 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.793 3.846 -7.787 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.600 5.496 -7.227 1.00 0.00 H new ATOM 456 N ASP A 29 19.934 4.362 -8.639 1.00 0.00 N ATOM 457 CA ASP A 29 18.511 4.094 -8.459 1.00 0.00 C ATOM 458 C ASP A 29 18.244 2.593 -8.408 1.00 0.00 C ATOM 459 O ASP A 29 19.134 1.785 -8.675 1.00 0.00 O ATOM 460 CB ASP A 29 17.703 4.730 -9.591 1.00 0.00 C ATOM 461 CG ASP A 29 17.420 6.199 -9.345 1.00 0.00 C ATOM 462 OD1 ASP A 29 18.021 6.772 -8.412 1.00 0.00 O ATOM 463 OD2 ASP A 29 16.599 6.777 -10.088 1.00 0.00 O ATOM 0 H ASP A 29 20.227 4.450 -9.612 1.00 0.00 H new ATOM 0 HA ASP A 29 18.201 4.533 -7.511 1.00 0.00 H new ATOM 0 HB2 ASP A 29 18.248 4.620 -10.529 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.760 4.195 -9.705 1.00 0.00 H new ATOM 468 N ILE A 30 17.014 2.228 -8.064 1.00 0.00 N ATOM 469 CA ILE A 30 16.630 0.824 -7.978 1.00 0.00 C ATOM 470 C ILE A 30 15.189 0.620 -8.434 1.00 0.00 C ATOM 471 O ILE A 30 14.254 1.142 -7.827 1.00 0.00 O ATOM 472 CB ILE A 30 16.783 0.286 -6.543 1.00 0.00 C ATOM 473 CG1 ILE A 30 18.155 0.661 -5.978 1.00 0.00 C ATOM 474 CG2 ILE A 30 16.590 -1.223 -6.521 1.00 0.00 C ATOM 475 CD1 ILE A 30 18.350 0.243 -4.538 1.00 0.00 C ATOM 0 H ILE A 30 16.266 2.885 -7.840 1.00 0.00 H new ATOM 0 HA ILE A 30 17.299 0.272 -8.638 1.00 0.00 H new ATOM 0 HB ILE A 30 16.016 0.741 -5.916 1.00 0.00 H new ATOM 0 HG12 ILE A 30 18.930 0.199 -6.590 1.00 0.00 H new ATOM 0 HG13 ILE A 30 18.288 1.740 -6.056 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.701 -1.589 -5.500 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.593 -1.468 -6.888 1.00 0.00 H new ATOM 0 HG23 ILE A 30 17.337 -1.695 -7.159 1.00 0.00 H new ATOM 0 HD11 ILE A 30 19.344 0.541 -4.204 1.00 0.00 H new ATOM 0 HD12 ILE A 30 17.598 0.726 -3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 30 18.249 -0.839 -4.456 1.00 0.00 H new ATOM 487 N LEU A 31 15.018 -0.145 -9.507 1.00 0.00 N ATOM 488 CA LEU A 31 13.690 -0.421 -10.045 1.00 0.00 C ATOM 489 C LEU A 31 13.353 -1.904 -9.928 1.00 0.00 C ATOM 490 O LEU A 31 14.237 -2.760 -9.981 1.00 0.00 O ATOM 491 CB LEU A 31 13.609 0.017 -11.508 1.00 0.00 C ATOM 492 CG LEU A 31 13.454 1.519 -11.751 1.00 0.00 C ATOM 493 CD1 LEU A 31 12.253 2.061 -10.991 1.00 0.00 C ATOM 494 CD2 LEU A 31 14.720 2.259 -11.347 1.00 0.00 C ATOM 0 H LEU A 31 15.781 -0.585 -10.021 1.00 0.00 H new ATOM 0 HA LEU A 31 12.964 0.146 -9.462 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.510 -0.322 -12.019 1.00 0.00 H new ATOM 0 HB3 LEU A 31 12.767 -0.495 -11.974 1.00 0.00 H new ATOM 0 HG LEU A 31 13.288 1.680 -12.816 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.158 3.131 -11.176 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.349 1.553 -11.328 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.389 1.888 -9.924 1.00 0.00 H new ATOM 0 HD21 LEU A 31 14.591 3.326 -11.527 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.918 2.091 -10.288 1.00 0.00 H new ATOM 0 HD23 LEU A 31 15.560 1.891 -11.936 1.00 0.00 H new ATOM 506 N THR A 32 12.067 -2.203 -9.769 1.00 0.00 N ATOM 507 CA THR A 32 11.613 -3.583 -9.646 1.00 0.00 C ATOM 508 C THR A 32 11.553 -4.266 -11.007 1.00 0.00 C ATOM 509 O THR A 32 11.205 -3.643 -12.011 1.00 0.00 O ATOM 510 CB THR A 32 10.224 -3.659 -8.984 1.00 0.00 C ATOM 511 OG1 THR A 32 9.979 -2.473 -8.220 1.00 0.00 O ATOM 512 CG2 THR A 32 10.121 -4.880 -8.081 1.00 0.00 C ATOM 0 H THR A 32 11.322 -1.508 -9.722 1.00 0.00 H new ATOM 0 HA THR A 32 12.337 -4.099 -9.016 1.00 0.00 H new ATOM 0 HB THR A 32 9.475 -3.744 -9.771 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.093 -2.529 -7.804 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.132 -4.913 -7.625 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.278 -5.783 -8.671 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.879 -4.820 -7.300 1.00 0.00 H new ATOM 520 N LEU A 33 11.893 -5.550 -11.035 1.00 0.00 N ATOM 521 CA LEU A 33 11.878 -6.319 -12.274 1.00 0.00 C ATOM 522 C LEU A 33 10.507 -6.946 -12.508 1.00 0.00 C ATOM 523 O LEU A 33 9.909 -7.516 -11.594 1.00 0.00 O ATOM 524 CB LEU A 33 12.950 -7.408 -12.235 1.00 0.00 C ATOM 525 CG LEU A 33 13.374 -7.982 -13.588 1.00 0.00 C ATOM 526 CD1 LEU A 33 12.263 -8.836 -14.178 1.00 0.00 C ATOM 527 CD2 LEU A 33 13.754 -6.862 -14.546 1.00 0.00 C ATOM 0 H LEU A 33 12.183 -6.080 -10.213 1.00 0.00 H new ATOM 0 HA LEU A 33 12.092 -5.638 -13.098 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.834 -7.002 -11.742 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.586 -8.226 -11.614 1.00 0.00 H new ATOM 0 HG LEU A 33 14.248 -8.615 -13.435 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.583 -9.236 -15.140 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.038 -9.659 -13.500 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.370 -8.226 -14.317 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.053 -7.288 -15.504 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.898 -6.203 -14.693 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.583 -6.291 -14.128 1.00 0.00 H new ATOM 539 N LEU A 34 10.016 -6.841 -13.738 1.00 0.00 N ATOM 540 CA LEU A 34 8.717 -7.401 -14.093 1.00 0.00 C ATOM 541 C LEU A 34 8.858 -8.451 -15.190 1.00 0.00 C ATOM 542 O LEU A 34 8.238 -9.512 -15.130 1.00 0.00 O ATOM 543 CB LEU A 34 7.770 -6.291 -14.554 1.00 0.00 C ATOM 544 CG LEU A 34 6.806 -5.749 -13.497 1.00 0.00 C ATOM 545 CD1 LEU A 34 7.547 -4.874 -12.498 1.00 0.00 C ATOM 546 CD2 LEU A 34 5.676 -4.971 -14.155 1.00 0.00 C ATOM 0 H LEU A 34 10.498 -6.373 -14.506 1.00 0.00 H new ATOM 0 HA LEU A 34 8.302 -7.881 -13.207 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.370 -5.462 -14.929 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.184 -6.666 -15.393 1.00 0.00 H new ATOM 0 HG LEU A 34 6.374 -6.593 -12.959 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.845 -4.497 -11.754 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.320 -5.462 -12.003 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.007 -4.035 -13.020 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.000 -4.593 -13.388 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.090 -4.135 -14.718 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.128 -5.627 -14.831 1.00 0.00 H new ATOM 558 N ASN A 35 9.679 -8.149 -16.190 1.00 0.00 N ATOM 559 CA ASN A 35 9.903 -9.069 -17.300 1.00 0.00 C ATOM 560 C ASN A 35 11.353 -9.008 -17.772 1.00 0.00 C ATOM 561 O ASN A 35 11.830 -7.963 -18.213 1.00 0.00 O ATOM 562 CB ASN A 35 8.963 -8.739 -18.461 1.00 0.00 C ATOM 563 CG ASN A 35 8.021 -9.882 -18.785 1.00 0.00 C ATOM 564 OD1 ASN A 35 7.434 -10.490 -17.889 1.00 0.00 O ATOM 565 ND2 ASN A 35 7.872 -10.180 -20.070 1.00 0.00 N ATOM 0 H ASN A 35 10.200 -7.275 -16.255 1.00 0.00 H new ATOM 0 HA ASN A 35 9.695 -10.080 -16.949 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.381 -7.851 -18.213 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.553 -8.496 -19.345 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.251 -10.940 -20.349 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.378 -9.649 -20.779 1.00 0.00 H new ATOM 572 N SER A 36 12.048 -10.137 -17.675 1.00 0.00 N ATOM 573 CA SER A 36 13.444 -10.213 -18.089 1.00 0.00 C ATOM 574 C SER A 36 13.628 -11.249 -19.194 1.00 0.00 C ATOM 575 O SER A 36 14.637 -11.954 -19.239 1.00 0.00 O ATOM 576 CB SER A 36 14.335 -10.560 -16.894 1.00 0.00 C ATOM 577 OG SER A 36 14.048 -11.860 -16.406 1.00 0.00 O ATOM 0 H SER A 36 11.667 -11.011 -17.313 1.00 0.00 H new ATOM 0 HA SER A 36 13.735 -9.237 -18.478 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.383 -10.501 -17.188 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.185 -9.828 -16.100 1.00 0.00 H new ATOM 0 HG SER A 36 14.631 -12.059 -15.644 1.00 0.00 H new ATOM 583 N THR A 37 12.645 -11.337 -20.084 1.00 0.00 N ATOM 584 CA THR A 37 12.696 -12.287 -21.188 1.00 0.00 C ATOM 585 C THR A 37 13.832 -11.953 -22.149 1.00 0.00 C ATOM 586 O THR A 37 14.319 -12.819 -22.874 1.00 0.00 O ATOM 587 CB THR A 37 11.369 -12.312 -21.969 1.00 0.00 C ATOM 588 OG1 THR A 37 11.448 -13.261 -23.039 1.00 0.00 O ATOM 589 CG2 THR A 37 11.044 -10.935 -22.529 1.00 0.00 C ATOM 0 H THR A 37 11.803 -10.761 -20.062 1.00 0.00 H new ATOM 0 HA THR A 37 12.871 -13.270 -20.751 1.00 0.00 H new ATOM 0 HB THR A 37 10.575 -12.604 -21.282 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.600 -13.272 -23.530 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.102 -10.978 -23.076 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.956 -10.221 -21.710 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.841 -10.619 -23.202 1.00 0.00 H new ATOM 597 N ASN A 38 14.250 -10.691 -22.148 1.00 0.00 N ATOM 598 CA ASN A 38 15.329 -10.243 -23.020 1.00 0.00 C ATOM 599 C ASN A 38 16.618 -10.038 -22.230 1.00 0.00 C ATOM 600 O ASN A 38 16.626 -10.124 -21.002 1.00 0.00 O ATOM 601 CB ASN A 38 14.937 -8.943 -23.725 1.00 0.00 C ATOM 602 CG ASN A 38 15.588 -8.805 -25.088 1.00 0.00 C ATOM 603 OD1 ASN A 38 16.624 -8.156 -25.230 1.00 0.00 O ATOM 604 ND2 ASN A 38 14.980 -9.416 -26.098 1.00 0.00 N ATOM 0 H ASN A 38 13.858 -9.961 -21.553 1.00 0.00 H new ATOM 0 HA ASN A 38 15.502 -11.016 -23.769 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.853 -8.906 -23.838 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.221 -8.095 -23.102 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.370 -9.358 -27.039 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.123 -9.943 -25.933 1.00 0.00 H new ATOM 611 N LYS A 39 17.705 -9.765 -22.943 1.00 0.00 N ATOM 612 CA LYS A 39 19.000 -9.545 -22.309 1.00 0.00 C ATOM 613 C LYS A 39 19.479 -8.115 -22.534 1.00 0.00 C ATOM 614 O LYS A 39 20.255 -7.579 -21.742 1.00 0.00 O ATOM 615 CB LYS A 39 20.033 -10.532 -22.858 1.00 0.00 C ATOM 616 CG LYS A 39 19.560 -11.975 -22.850 1.00 0.00 C ATOM 617 CD LYS A 39 20.586 -12.903 -23.479 1.00 0.00 C ATOM 618 CE LYS A 39 21.848 -12.991 -22.635 1.00 0.00 C ATOM 619 NZ LYS A 39 21.571 -13.538 -21.278 1.00 0.00 N ATOM 0 H LYS A 39 17.715 -9.691 -23.960 1.00 0.00 H new ATOM 0 HA LYS A 39 18.885 -9.707 -21.237 1.00 0.00 H new ATOM 0 HB2 LYS A 39 20.288 -10.248 -23.879 1.00 0.00 H new ATOM 0 HB3 LYS A 39 20.946 -10.455 -22.268 1.00 0.00 H new ATOM 0 HG2 LYS A 39 19.365 -12.289 -21.825 1.00 0.00 H new ATOM 0 HG3 LYS A 39 18.618 -12.053 -23.392 1.00 0.00 H new ATOM 0 HD2 LYS A 39 20.155 -13.897 -23.596 1.00 0.00 H new ATOM 0 HD3 LYS A 39 20.839 -12.545 -24.477 1.00 0.00 H new ATOM 0 HE2 LYS A 39 22.579 -13.623 -23.139 1.00 0.00 H new ATOM 0 HE3 LYS A 39 22.293 -12.000 -22.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 22.462 -13.851 -20.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 21.137 -12.800 -20.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 20.921 -14.346 -21.355 1.00 0.00 H new ATOM 633 N ASP A 40 19.012 -7.502 -23.616 1.00 0.00 N ATOM 634 CA ASP A 40 19.391 -6.132 -23.942 1.00 0.00 C ATOM 635 C ASP A 40 18.609 -5.135 -23.094 1.00 0.00 C ATOM 636 O ASP A 40 19.185 -4.220 -22.505 1.00 0.00 O ATOM 637 CB ASP A 40 19.152 -5.855 -25.427 1.00 0.00 C ATOM 638 CG ASP A 40 20.060 -6.674 -26.323 1.00 0.00 C ATOM 639 OD1 ASP A 40 21.289 -6.452 -26.284 1.00 0.00 O ATOM 640 OD2 ASP A 40 19.543 -7.537 -27.062 1.00 0.00 O ATOM 0 H ASP A 40 18.370 -7.932 -24.282 1.00 0.00 H new ATOM 0 HA ASP A 40 20.452 -6.013 -23.724 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.112 -6.073 -25.671 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.310 -4.795 -25.626 1.00 0.00 H new ATOM 645 N TRP A 41 17.295 -5.317 -23.037 1.00 0.00 N ATOM 646 CA TRP A 41 16.433 -4.432 -22.260 1.00 0.00 C ATOM 647 C TRP A 41 15.543 -5.230 -21.315 1.00 0.00 C ATOM 648 O TRP A 41 15.034 -6.292 -21.675 1.00 0.00 O ATOM 649 CB TRP A 41 15.572 -3.579 -23.193 1.00 0.00 C ATOM 650 CG TRP A 41 16.366 -2.851 -24.235 1.00 0.00 C ATOM 651 CD1 TRP A 41 16.887 -3.377 -25.383 1.00 0.00 C ATOM 652 CD2 TRP A 41 16.730 -1.467 -24.224 1.00 0.00 C ATOM 653 NE1 TRP A 41 17.554 -2.402 -26.086 1.00 0.00 N ATOM 654 CE2 TRP A 41 17.471 -1.221 -25.397 1.00 0.00 C ATOM 655 CE3 TRP A 41 16.500 -0.410 -23.339 1.00 0.00 C ATOM 656 CZ2 TRP A 41 17.983 0.036 -25.704 1.00 0.00 C ATOM 657 CZ3 TRP A 41 17.010 0.838 -23.645 1.00 0.00 C ATOM 658 CH2 TRP A 41 17.744 1.053 -24.819 1.00 0.00 C ATOM 0 H TRP A 41 16.802 -6.069 -23.519 1.00 0.00 H new ATOM 0 HA TRP A 41 17.069 -3.778 -21.663 1.00 0.00 H new ATOM 0 HB2 TRP A 41 14.840 -4.219 -23.686 1.00 0.00 H new ATOM 0 HB3 TRP A 41 15.014 -2.854 -22.600 1.00 0.00 H new ATOM 0 HD1 TRP A 41 16.789 -4.407 -25.693 1.00 0.00 H new ATOM 0 HE1 TRP A 41 18.033 -2.536 -26.976 1.00 0.00 H new ATOM 0 HE3 TRP A 41 15.934 -0.565 -22.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 18.549 0.203 -26.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 16.840 1.662 -22.967 1.00 0.00 H new ATOM 0 HH2 TRP A 41 18.129 2.040 -25.030 1.00 0.00 H new ATOM 669 N TRP A 42 15.359 -4.714 -20.105 1.00 0.00 N ATOM 670 CA TRP A 42 14.529 -5.380 -19.108 1.00 0.00 C ATOM 671 C TRP A 42 13.309 -4.534 -18.762 1.00 0.00 C ATOM 672 O TRP A 42 13.383 -3.306 -18.724 1.00 0.00 O ATOM 673 CB TRP A 42 15.343 -5.663 -17.844 1.00 0.00 C ATOM 674 CG TRP A 42 16.509 -6.575 -18.080 1.00 0.00 C ATOM 675 CD1 TRP A 42 16.630 -7.512 -19.066 1.00 0.00 C ATOM 676 CD2 TRP A 42 17.718 -6.636 -17.315 1.00 0.00 C ATOM 677 NE1 TRP A 42 17.841 -8.153 -18.960 1.00 0.00 N ATOM 678 CE2 TRP A 42 18.527 -7.633 -17.894 1.00 0.00 C ATOM 679 CE3 TRP A 42 18.196 -5.945 -16.199 1.00 0.00 C ATOM 680 CZ2 TRP A 42 19.786 -7.954 -17.392 1.00 0.00 C ATOM 681 CZ3 TRP A 42 19.445 -6.265 -15.702 1.00 0.00 C ATOM 682 CH2 TRP A 42 20.229 -7.261 -16.299 1.00 0.00 C ATOM 0 H TRP A 42 15.773 -3.837 -19.791 1.00 0.00 H new ATOM 0 HA TRP A 42 14.185 -6.324 -19.530 1.00 0.00 H new ATOM 0 HB2 TRP A 42 15.706 -4.720 -17.435 1.00 0.00 H new ATOM 0 HB3 TRP A 42 14.690 -6.106 -17.092 1.00 0.00 H new ATOM 0 HD1 TRP A 42 15.884 -7.719 -19.819 1.00 0.00 H new ATOM 0 HE1 TRP A 42 18.175 -8.895 -19.575 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.600 -5.174 -15.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 20.391 -8.723 -17.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 19.823 -5.738 -14.838 1.00 0.00 H new ATOM 0 HH2 TRP A 42 21.202 -7.486 -15.888 1.00 0.00 H new ATOM 693 N LYS A 43 12.186 -5.199 -18.511 1.00 0.00 N ATOM 694 CA LYS A 43 10.949 -4.508 -18.167 1.00 0.00 C ATOM 695 C LYS A 43 10.833 -4.318 -16.658 1.00 0.00 C ATOM 696 O LYS A 43 10.624 -5.277 -15.915 1.00 0.00 O ATOM 697 CB LYS A 43 9.741 -5.292 -18.686 1.00 0.00 C ATOM 698 CG LYS A 43 8.409 -4.631 -18.380 1.00 0.00 C ATOM 699 CD LYS A 43 8.046 -3.595 -19.431 1.00 0.00 C ATOM 700 CE LYS A 43 6.955 -4.104 -20.361 1.00 0.00 C ATOM 701 NZ LYS A 43 5.659 -4.283 -19.650 1.00 0.00 N ATOM 0 H LYS A 43 12.107 -6.216 -18.539 1.00 0.00 H new ATOM 0 HA LYS A 43 10.968 -3.526 -18.639 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.836 -5.417 -19.765 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.751 -6.290 -18.248 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.628 -5.390 -18.331 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.454 -4.156 -17.400 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.711 -2.680 -18.942 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.932 -3.339 -20.013 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.823 -3.402 -21.185 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.264 -5.054 -20.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.312 -5.252 -19.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.795 -4.117 -18.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.963 -3.605 -20.021 1.00 0.00 H new ATOM 715 N VAL A 44 10.970 -3.073 -16.211 1.00 0.00 N ATOM 716 CA VAL A 44 10.879 -2.757 -14.791 1.00 0.00 C ATOM 717 C VAL A 44 9.714 -1.814 -14.511 1.00 0.00 C ATOM 718 O VAL A 44 9.208 -1.153 -15.417 1.00 0.00 O ATOM 719 CB VAL A 44 12.180 -2.114 -14.274 1.00 0.00 C ATOM 720 CG1 VAL A 44 13.338 -3.094 -14.378 1.00 0.00 C ATOM 721 CG2 VAL A 44 12.482 -0.835 -15.040 1.00 0.00 C ATOM 0 H VAL A 44 11.144 -2.268 -16.812 1.00 0.00 H new ATOM 0 HA VAL A 44 10.715 -3.699 -14.268 1.00 0.00 H new ATOM 0 HB VAL A 44 12.046 -1.858 -13.223 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.248 -2.622 -14.008 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.120 -3.979 -13.781 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.477 -3.384 -15.420 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.404 -0.394 -14.662 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.597 -1.064 -16.099 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.662 -0.130 -14.908 1.00 0.00 H new ATOM 731 N GLU A 45 9.293 -1.759 -13.251 1.00 0.00 N ATOM 732 CA GLU A 45 8.186 -0.897 -12.853 1.00 0.00 C ATOM 733 C GLU A 45 8.695 0.328 -12.099 1.00 0.00 C ATOM 734 O GLU A 45 9.271 0.210 -11.018 1.00 0.00 O ATOM 735 CB GLU A 45 7.196 -1.672 -11.981 1.00 0.00 C ATOM 736 CG GLU A 45 6.131 -0.795 -11.344 1.00 0.00 C ATOM 737 CD GLU A 45 4.921 -1.586 -10.887 1.00 0.00 C ATOM 738 OE1 GLU A 45 4.974 -2.167 -9.783 1.00 0.00 O ATOM 739 OE2 GLU A 45 3.920 -1.624 -11.634 1.00 0.00 O ATOM 0 H GLU A 45 9.701 -2.301 -12.489 1.00 0.00 H new ATOM 0 HA GLU A 45 7.677 -0.560 -13.756 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.710 -2.436 -12.588 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.745 -2.191 -11.195 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.561 -0.270 -10.491 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.815 -0.036 -12.059 1.00 0.00 H new ATOM 746 N VAL A 46 8.477 1.505 -12.678 1.00 0.00 N ATOM 747 CA VAL A 46 8.912 2.752 -12.062 1.00 0.00 C ATOM 748 C VAL A 46 7.729 3.520 -11.482 1.00 0.00 C ATOM 749 O VAL A 46 6.573 3.161 -11.702 1.00 0.00 O ATOM 750 CB VAL A 46 9.648 3.652 -13.073 1.00 0.00 C ATOM 751 CG1 VAL A 46 10.806 2.900 -13.712 1.00 0.00 C ATOM 752 CG2 VAL A 46 8.683 4.161 -14.133 1.00 0.00 C ATOM 0 H VAL A 46 8.002 1.620 -13.573 1.00 0.00 H new ATOM 0 HA VAL A 46 9.598 2.485 -11.258 1.00 0.00 H new ATOM 0 HB VAL A 46 10.054 4.512 -12.540 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.314 3.551 -14.423 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.508 2.589 -12.939 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.426 2.021 -14.232 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.219 4.795 -14.839 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.247 3.315 -14.664 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.891 4.738 -13.657 1.00 0.00 H new ATOM 762 N LYS A 47 8.027 4.581 -10.739 1.00 0.00 N ATOM 763 CA LYS A 47 6.989 5.403 -10.128 1.00 0.00 C ATOM 764 C LYS A 47 7.061 6.839 -10.638 1.00 0.00 C ATOM 765 O LYS A 47 8.133 7.328 -10.993 1.00 0.00 O ATOM 766 CB LYS A 47 7.127 5.385 -8.604 1.00 0.00 C ATOM 767 CG LYS A 47 6.375 4.245 -7.939 1.00 0.00 C ATOM 768 CD LYS A 47 6.678 4.170 -6.452 1.00 0.00 C ATOM 769 CE LYS A 47 5.987 5.287 -5.685 1.00 0.00 C ATOM 770 NZ LYS A 47 6.839 6.505 -5.591 1.00 0.00 N ATOM 0 H LYS A 47 8.979 4.892 -10.546 1.00 0.00 H new ATOM 0 HA LYS A 47 6.021 4.986 -10.405 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.183 5.313 -8.344 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.764 6.331 -8.203 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.303 4.380 -8.087 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.646 3.303 -8.415 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.354 3.205 -6.062 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.755 4.232 -6.296 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.047 5.538 -6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.739 4.939 -4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.894 6.814 -4.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.794 6.288 -5.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.424 7.264 -6.168 1.00 0.00 H new ATOM 784 N ALA A 48 5.914 7.508 -10.671 1.00 0.00 N ATOM 785 CA ALA A 48 5.848 8.889 -11.134 1.00 0.00 C ATOM 786 C ALA A 48 4.846 9.696 -10.315 1.00 0.00 C ATOM 787 O ALA A 48 4.014 9.133 -9.602 1.00 0.00 O ATOM 788 CB ALA A 48 5.483 8.933 -12.611 1.00 0.00 C ATOM 0 H ALA A 48 5.017 7.116 -10.383 1.00 0.00 H new ATOM 0 HA ALA A 48 6.832 9.339 -11.000 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.437 9.970 -12.944 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.238 8.400 -13.188 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.512 8.461 -12.760 1.00 0.00 H new ATOM 794 N THR A 49 4.930 11.018 -10.422 1.00 0.00 N ATOM 795 CA THR A 49 4.032 11.902 -9.690 1.00 0.00 C ATOM 796 C THR A 49 3.442 12.968 -10.606 1.00 0.00 C ATOM 797 O THR A 49 4.162 13.611 -11.370 1.00 0.00 O ATOM 798 CB THR A 49 4.755 12.593 -8.518 1.00 0.00 C ATOM 799 OG1 THR A 49 5.596 11.653 -7.839 1.00 0.00 O ATOM 800 CG2 THR A 49 3.754 13.186 -7.538 1.00 0.00 C ATOM 0 H THR A 49 5.611 11.500 -11.009 1.00 0.00 H new ATOM 0 HA THR A 49 3.229 11.279 -9.296 1.00 0.00 H new ATOM 0 HB THR A 49 5.365 13.401 -8.922 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.053 12.100 -7.097 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.288 13.668 -6.719 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.135 13.922 -8.051 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.121 12.393 -7.140 1.00 0.00 H new ATOM 808 N ALA A 50 2.128 13.150 -10.525 1.00 0.00 N ATOM 809 CA ALA A 50 1.442 14.141 -11.345 1.00 0.00 C ATOM 810 C ALA A 50 0.112 14.547 -10.719 1.00 0.00 C ATOM 811 O ALA A 50 -0.551 13.739 -10.071 1.00 0.00 O ATOM 812 CB ALA A 50 1.222 13.600 -12.751 1.00 0.00 C ATOM 0 H ALA A 50 1.517 12.624 -9.900 1.00 0.00 H new ATOM 0 HA ALA A 50 2.072 15.028 -11.402 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.709 14.350 -13.353 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.185 13.366 -13.206 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.615 12.696 -12.702 1.00 0.00 H new ATOM 818 N ASN A 51 -0.270 15.804 -10.916 1.00 0.00 N ATOM 819 CA ASN A 51 -1.520 16.318 -10.369 1.00 0.00 C ATOM 820 C ASN A 51 -1.586 16.094 -8.861 1.00 0.00 C ATOM 821 O ASN A 51 -2.667 15.943 -8.292 1.00 0.00 O ATOM 822 CB ASN A 51 -2.714 15.644 -11.049 1.00 0.00 C ATOM 823 CG ASN A 51 -2.506 15.470 -12.541 1.00 0.00 C ATOM 824 OD1 ASN A 51 -2.619 16.424 -13.310 1.00 0.00 O ATOM 825 ND2 ASN A 51 -2.202 14.246 -12.957 1.00 0.00 N ATOM 0 H ASN A 51 0.268 16.486 -11.451 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.559 17.390 -10.562 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.886 14.669 -10.593 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.611 16.239 -10.877 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.052 14.067 -13.950 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.119 13.485 -12.284 1.00 0.00 H new ATOM 832 N GLY A 52 -0.422 16.074 -8.219 1.00 0.00 N ATOM 833 CA GLY A 52 -0.370 15.869 -6.783 1.00 0.00 C ATOM 834 C GLY A 52 -0.688 14.440 -6.390 1.00 0.00 C ATOM 835 O GLY A 52 -1.096 14.175 -5.259 1.00 0.00 O ATOM 0 H GLY A 52 0.486 16.196 -8.668 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.623 16.131 -6.417 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.076 16.542 -6.297 1.00 0.00 H new ATOM 839 N LYS A 53 -0.502 13.515 -7.326 1.00 0.00 N ATOM 840 CA LYS A 53 -0.771 12.105 -7.073 1.00 0.00 C ATOM 841 C LYS A 53 0.356 11.230 -7.612 1.00 0.00 C ATOM 842 O LYS A 53 0.873 11.468 -8.704 1.00 0.00 O ATOM 843 CB LYS A 53 -2.100 11.696 -7.713 1.00 0.00 C ATOM 844 CG LYS A 53 -3.319 12.186 -6.952 1.00 0.00 C ATOM 845 CD LYS A 53 -3.546 11.381 -5.684 1.00 0.00 C ATOM 846 CE LYS A 53 -3.930 9.943 -5.998 1.00 0.00 C ATOM 847 NZ LYS A 53 -4.549 9.266 -4.825 1.00 0.00 N ATOM 0 H LYS A 53 -0.166 13.717 -8.267 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.834 11.961 -5.994 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.138 12.084 -8.731 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.140 10.609 -7.784 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.192 13.238 -6.698 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.200 12.117 -7.591 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.641 11.393 -5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.333 11.848 -5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.627 9.928 -6.836 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.044 9.390 -6.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.797 8.288 -5.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.875 9.258 -4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.409 9.778 -4.542 1.00 0.00 H new ATOM 861 N THR A 54 0.732 10.215 -6.840 1.00 0.00 N ATOM 862 CA THR A 54 1.798 9.305 -7.241 1.00 0.00 C ATOM 863 C THR A 54 1.229 8.006 -7.800 1.00 0.00 C ATOM 864 O THR A 54 0.403 7.353 -7.163 1.00 0.00 O ATOM 865 CB THR A 54 2.730 8.977 -6.059 1.00 0.00 C ATOM 866 OG1 THR A 54 1.978 8.926 -4.841 1.00 0.00 O ATOM 867 CG2 THR A 54 3.834 10.016 -5.937 1.00 0.00 C ATOM 0 H THR A 54 0.314 10.003 -5.934 1.00 0.00 H new ATOM 0 HA THR A 54 2.372 9.811 -8.017 1.00 0.00 H new ATOM 0 HB THR A 54 3.187 8.005 -6.244 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.578 8.715 -4.095 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.480 9.764 -5.096 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.422 10.031 -6.854 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.392 10.999 -5.773 1.00 0.00 H new ATOM 875 N TYR A 55 1.677 7.636 -8.995 1.00 0.00 N ATOM 876 CA TYR A 55 1.212 6.415 -9.641 1.00 0.00 C ATOM 877 C TYR A 55 2.388 5.544 -10.073 1.00 0.00 C ATOM 878 O TYR A 55 3.547 5.905 -9.873 1.00 0.00 O ATOM 879 CB TYR A 55 0.342 6.754 -10.853 1.00 0.00 C ATOM 880 CG TYR A 55 1.100 7.432 -11.972 1.00 0.00 C ATOM 881 CD1 TYR A 55 1.527 8.748 -11.851 1.00 0.00 C ATOM 882 CD2 TYR A 55 1.391 6.755 -13.150 1.00 0.00 C ATOM 883 CE1 TYR A 55 2.219 9.372 -12.871 1.00 0.00 C ATOM 884 CE2 TYR A 55 2.084 7.369 -14.175 1.00 0.00 C ATOM 885 CZ TYR A 55 2.496 8.678 -14.031 1.00 0.00 C ATOM 886 OH TYR A 55 3.186 9.295 -15.049 1.00 0.00 O ATOM 0 H TYR A 55 2.362 8.165 -9.536 1.00 0.00 H new ATOM 0 HA TYR A 55 0.616 5.857 -8.919 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.109 5.838 -11.234 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.474 7.402 -10.534 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.314 9.293 -10.943 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.070 5.730 -13.266 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.541 10.397 -12.761 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.302 6.828 -15.084 1.00 0.00 H new ATOM 0 HH TYR A 55 3.928 8.723 -15.335 1.00 0.00 H new ATOM 896 N GLU A 56 2.079 4.396 -10.668 1.00 0.00 N ATOM 897 CA GLU A 56 3.110 3.473 -11.128 1.00 0.00 C ATOM 898 C GLU A 56 2.962 3.192 -12.621 1.00 0.00 C ATOM 899 O GLU A 56 1.857 3.228 -13.163 1.00 0.00 O ATOM 900 CB GLU A 56 3.041 2.163 -10.342 1.00 0.00 C ATOM 901 CG GLU A 56 3.276 2.335 -8.850 1.00 0.00 C ATOM 902 CD GLU A 56 2.328 1.500 -8.011 1.00 0.00 C ATOM 903 OE1 GLU A 56 2.314 0.264 -8.182 1.00 0.00 O ATOM 904 OE2 GLU A 56 1.599 2.085 -7.182 1.00 0.00 O ATOM 0 H GLU A 56 1.124 4.083 -10.843 1.00 0.00 H new ATOM 0 HA GLU A 56 4.081 3.939 -10.958 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.063 1.707 -10.497 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.782 1.470 -10.741 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.304 2.059 -8.614 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.159 3.386 -8.586 1.00 0.00 H new ATOM 911 N ARG A 57 4.082 2.913 -13.278 1.00 0.00 N ATOM 912 CA ARG A 57 4.078 2.627 -14.708 1.00 0.00 C ATOM 913 C ARG A 57 5.222 1.688 -15.078 1.00 0.00 C ATOM 914 O ARG A 57 6.311 1.767 -14.510 1.00 0.00 O ATOM 915 CB ARG A 57 4.190 3.925 -15.509 1.00 0.00 C ATOM 916 CG ARG A 57 5.471 4.698 -15.242 1.00 0.00 C ATOM 917 CD ARG A 57 5.801 5.643 -16.387 1.00 0.00 C ATOM 918 NE ARG A 57 4.724 6.598 -16.636 1.00 0.00 N ATOM 919 CZ ARG A 57 4.611 7.303 -17.756 1.00 0.00 C ATOM 920 NH1 ARG A 57 5.504 7.160 -18.725 1.00 0.00 N ATOM 921 NH2 ARG A 57 3.603 8.152 -17.908 1.00 0.00 N ATOM 0 H ARG A 57 5.004 2.879 -12.844 1.00 0.00 H new ATOM 0 HA ARG A 57 3.136 2.137 -14.953 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.131 3.692 -16.572 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.336 4.561 -15.275 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.368 5.267 -14.318 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.295 3.999 -15.096 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.719 6.184 -16.158 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.989 5.065 -17.292 1.00 0.00 H new ATOM 0 HE ARG A 57 4.020 6.731 -15.910 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.280 6.508 -18.611 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.415 7.702 -19.584 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.914 8.264 -17.164 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.517 8.693 -18.768 1.00 0.00 H new ATOM 935 N GLN A 58 4.967 0.801 -16.034 1.00 0.00 N ATOM 936 CA GLN A 58 5.975 -0.154 -16.479 1.00 0.00 C ATOM 937 C GLN A 58 6.733 0.379 -17.690 1.00 0.00 C ATOM 938 O GLN A 58 6.155 1.028 -18.561 1.00 0.00 O ATOM 939 CB GLN A 58 5.323 -1.495 -16.820 1.00 0.00 C ATOM 940 CG GLN A 58 4.660 -2.170 -15.630 1.00 0.00 C ATOM 941 CD GLN A 58 3.814 -3.361 -16.032 1.00 0.00 C ATOM 942 OE1 GLN A 58 4.365 -4.219 -16.882 1.00 0.00 O flip ATOM 943 NE2 GLN A 58 2.677 -3.509 -15.583 1.00 0.00 N flip ATOM 0 H GLN A 58 4.071 0.724 -16.515 1.00 0.00 H new ATOM 0 HA GLN A 58 6.685 -0.300 -15.665 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.578 -1.339 -17.600 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.080 -2.163 -17.231 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.427 -2.495 -14.927 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.036 -1.445 -15.107 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.293 -2.825 -14.932 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.119 -4.316 -15.862 1.00 0.00 H new ATOM 952 N GLY A 59 8.033 0.102 -17.739 1.00 0.00 N ATOM 953 CA GLY A 59 8.849 0.561 -18.847 1.00 0.00 C ATOM 954 C GLY A 59 10.053 -0.327 -19.088 1.00 0.00 C ATOM 955 O GLY A 59 10.288 -1.282 -18.347 1.00 0.00 O ATOM 0 H GLY A 59 8.535 -0.433 -17.030 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.241 0.597 -19.751 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.186 1.579 -18.649 1.00 0.00 H new ATOM 959 N PHE A 60 10.818 -0.014 -20.129 1.00 0.00 N ATOM 960 CA PHE A 60 12.003 -0.793 -20.468 1.00 0.00 C ATOM 961 C PHE A 60 13.275 -0.009 -20.161 1.00 0.00 C ATOM 962 O PHE A 60 13.328 1.208 -20.345 1.00 0.00 O ATOM 963 CB PHE A 60 11.977 -1.185 -21.947 1.00 0.00 C ATOM 964 CG PHE A 60 10.884 -2.157 -22.290 1.00 0.00 C ATOM 965 CD1 PHE A 60 11.081 -3.520 -22.144 1.00 0.00 C ATOM 966 CD2 PHE A 60 9.661 -1.706 -22.759 1.00 0.00 C ATOM 967 CE1 PHE A 60 10.077 -4.417 -22.459 1.00 0.00 C ATOM 968 CE2 PHE A 60 8.653 -2.598 -23.075 1.00 0.00 C ATOM 969 CZ PHE A 60 8.862 -3.956 -22.926 1.00 0.00 C ATOM 0 H PHE A 60 10.638 0.773 -20.752 1.00 0.00 H new ATOM 0 HA PHE A 60 11.998 -1.697 -19.860 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.855 -0.286 -22.551 1.00 0.00 H new ATOM 0 HB3 PHE A 60 12.939 -1.622 -22.216 1.00 0.00 H new ATOM 0 HD1 PHE A 60 12.029 -3.886 -21.780 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.493 -0.646 -22.879 1.00 0.00 H new ATOM 0 HE1 PHE A 60 10.243 -5.478 -22.340 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.703 -2.234 -23.438 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.077 -4.655 -23.174 1.00 0.00 H new ATOM 979 N VAL A 61 14.299 -0.714 -19.690 1.00 0.00 N ATOM 980 CA VAL A 61 15.572 -0.085 -19.358 1.00 0.00 C ATOM 981 C VAL A 61 16.744 -0.890 -19.909 1.00 0.00 C ATOM 982 O VAL A 61 16.666 -2.106 -20.084 1.00 0.00 O ATOM 983 CB VAL A 61 15.741 0.069 -17.834 1.00 0.00 C ATOM 984 CG1 VAL A 61 14.634 0.940 -17.260 1.00 0.00 C ATOM 985 CG2 VAL A 61 15.761 -1.295 -17.161 1.00 0.00 C ATOM 0 H VAL A 61 14.272 -1.721 -19.530 1.00 0.00 H new ATOM 0 HA VAL A 61 15.566 0.903 -19.818 1.00 0.00 H new ATOM 0 HB VAL A 61 16.695 0.559 -17.638 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.769 1.038 -16.183 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.671 1.927 -17.721 1.00 0.00 H new ATOM 0 HG13 VAL A 61 13.667 0.480 -17.464 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.881 -1.168 -16.085 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.824 -1.814 -17.363 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.592 -1.882 -17.552 1.00 0.00 H new ATOM 995 N PRO A 62 17.857 -0.197 -20.190 1.00 0.00 N ATOM 996 CA PRO A 62 19.068 -0.827 -20.725 1.00 0.00 C ATOM 997 C PRO A 62 19.762 -1.715 -19.697 1.00 0.00 C ATOM 998 O PRO A 62 20.267 -1.231 -18.685 1.00 0.00 O ATOM 999 CB PRO A 62 19.957 0.365 -21.089 1.00 0.00 C ATOM 1000 CG PRO A 62 19.497 1.467 -20.198 1.00 0.00 C ATOM 1001 CD PRO A 62 18.021 1.255 -20.006 1.00 0.00 C ATOM 0 HA PRO A 62 18.848 -1.484 -21.566 1.00 0.00 H new ATOM 0 HB2 PRO A 62 21.010 0.138 -20.926 1.00 0.00 H new ATOM 0 HB3 PRO A 62 19.848 0.634 -22.140 1.00 0.00 H new ATOM 0 HG2 PRO A 62 20.022 1.442 -19.243 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.696 2.440 -20.646 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.695 1.574 -19.016 1.00 0.00 H new ATOM 0 HD3 PRO A 62 17.436 1.820 -20.732 1.00 0.00 H new ATOM 1009 N ALA A 63 19.783 -3.016 -19.965 1.00 0.00 N ATOM 1010 CA ALA A 63 20.417 -3.971 -19.064 1.00 0.00 C ATOM 1011 C ALA A 63 21.917 -3.716 -18.962 1.00 0.00 C ATOM 1012 O ALA A 63 22.589 -4.252 -18.081 1.00 0.00 O ATOM 1013 CB ALA A 63 20.153 -5.394 -19.533 1.00 0.00 C ATOM 0 H ALA A 63 19.369 -3.433 -20.798 1.00 0.00 H new ATOM 0 HA ALA A 63 19.984 -3.840 -18.072 1.00 0.00 H new ATOM 0 HB1 ALA A 63 20.632 -6.097 -18.851 1.00 0.00 H new ATOM 0 HB2 ALA A 63 19.079 -5.579 -19.549 1.00 0.00 H new ATOM 0 HB3 ALA A 63 20.559 -5.528 -20.536 1.00 0.00 H new ATOM 1019 N ALA A 64 22.437 -2.894 -19.868 1.00 0.00 N ATOM 1020 CA ALA A 64 23.857 -2.567 -19.878 1.00 0.00 C ATOM 1021 C ALA A 64 24.184 -1.511 -18.828 1.00 0.00 C ATOM 1022 O ALA A 64 25.332 -1.383 -18.399 1.00 0.00 O ATOM 1023 CB ALA A 64 24.279 -2.089 -21.260 1.00 0.00 C ATOM 0 H ALA A 64 21.895 -2.442 -20.605 1.00 0.00 H new ATOM 0 HA ALA A 64 24.415 -3.471 -19.633 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.342 -1.848 -21.253 1.00 0.00 H new ATOM 0 HB2 ALA A 64 24.090 -2.876 -21.990 1.00 0.00 H new ATOM 0 HB3 ALA A 64 23.708 -1.200 -21.528 1.00 0.00 H new ATOM 1029 N TYR A 65 23.171 -0.757 -18.418 1.00 0.00 N ATOM 1030 CA TYR A 65 23.352 0.291 -17.421 1.00 0.00 C ATOM 1031 C TYR A 65 22.804 -0.147 -16.066 1.00 0.00 C ATOM 1032 O TYR A 65 23.233 0.344 -15.021 1.00 0.00 O ATOM 1033 CB TYR A 65 22.661 1.579 -17.871 1.00 0.00 C ATOM 1034 CG TYR A 65 23.220 2.149 -19.155 1.00 0.00 C ATOM 1035 CD1 TYR A 65 24.537 1.913 -19.528 1.00 0.00 C ATOM 1036 CD2 TYR A 65 22.429 2.922 -19.997 1.00 0.00 C ATOM 1037 CE1 TYR A 65 25.052 2.432 -20.700 1.00 0.00 C ATOM 1038 CE2 TYR A 65 22.935 3.445 -21.171 1.00 0.00 C ATOM 1039 CZ TYR A 65 24.247 3.197 -21.518 1.00 0.00 C ATOM 1040 OH TYR A 65 24.756 3.715 -22.687 1.00 0.00 O ATOM 0 H TYR A 65 22.215 -0.852 -18.761 1.00 0.00 H new ATOM 0 HA TYR A 65 24.421 0.478 -17.318 1.00 0.00 H new ATOM 0 HB2 TYR A 65 21.597 1.383 -18.003 1.00 0.00 H new ATOM 0 HB3 TYR A 65 22.752 2.325 -17.082 1.00 0.00 H new ATOM 0 HD1 TYR A 65 25.170 1.313 -18.890 1.00 0.00 H new ATOM 0 HD2 TYR A 65 21.401 3.117 -19.729 1.00 0.00 H new ATOM 0 HE1 TYR A 65 26.079 2.240 -20.974 1.00 0.00 H new ATOM 0 HE2 TYR A 65 22.307 4.045 -21.814 1.00 0.00 H new ATOM 0 HH TYR A 65 24.060 4.229 -23.148 1.00 0.00 H new ATOM 1050 N VAL A 66 21.853 -1.075 -16.091 1.00 0.00 N ATOM 1051 CA VAL A 66 21.246 -1.581 -14.866 1.00 0.00 C ATOM 1052 C VAL A 66 21.573 -3.056 -14.659 1.00 0.00 C ATOM 1053 O VAL A 66 21.739 -3.807 -15.620 1.00 0.00 O ATOM 1054 CB VAL A 66 19.716 -1.404 -14.883 1.00 0.00 C ATOM 1055 CG1 VAL A 66 19.349 0.064 -15.039 1.00 0.00 C ATOM 1056 CG2 VAL A 66 19.096 -2.238 -15.994 1.00 0.00 C ATOM 0 H VAL A 66 21.486 -1.492 -16.947 1.00 0.00 H new ATOM 0 HA VAL A 66 21.663 -1.000 -14.043 1.00 0.00 H new ATOM 0 HB VAL A 66 19.317 -1.754 -13.931 1.00 0.00 H new ATOM 0 HG11 VAL A 66 18.264 0.169 -15.049 1.00 0.00 H new ATOM 0 HG12 VAL A 66 19.761 0.633 -14.205 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.759 0.444 -15.975 1.00 0.00 H new ATOM 0 HG21 VAL A 66 18.015 -2.101 -15.992 1.00 0.00 H new ATOM 0 HG22 VAL A 66 19.500 -1.921 -16.956 1.00 0.00 H new ATOM 0 HG23 VAL A 66 19.329 -3.290 -15.832 1.00 0.00 H new ATOM 1066 N LYS A 67 21.665 -3.464 -13.398 1.00 0.00 N ATOM 1067 CA LYS A 67 21.971 -4.850 -13.063 1.00 0.00 C ATOM 1068 C LYS A 67 21.224 -5.283 -11.805 1.00 0.00 C ATOM 1069 O LYS A 67 21.088 -4.512 -10.855 1.00 0.00 O ATOM 1070 CB LYS A 67 23.478 -5.026 -12.860 1.00 0.00 C ATOM 1071 CG LYS A 67 23.859 -6.375 -12.275 1.00 0.00 C ATOM 1072 CD LYS A 67 25.250 -6.800 -12.714 1.00 0.00 C ATOM 1073 CE LYS A 67 26.328 -6.141 -11.868 1.00 0.00 C ATOM 1074 NZ LYS A 67 27.694 -6.573 -12.275 1.00 0.00 N ATOM 0 H LYS A 67 21.532 -2.855 -12.591 1.00 0.00 H new ATOM 0 HA LYS A 67 21.646 -5.479 -13.892 1.00 0.00 H new ATOM 0 HB2 LYS A 67 23.982 -4.899 -13.818 1.00 0.00 H new ATOM 0 HB3 LYS A 67 23.842 -4.238 -12.201 1.00 0.00 H new ATOM 0 HG2 LYS A 67 23.819 -6.325 -11.187 1.00 0.00 H new ATOM 0 HG3 LYS A 67 23.133 -7.126 -12.586 1.00 0.00 H new ATOM 0 HD2 LYS A 67 25.340 -7.884 -12.640 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.398 -6.538 -13.762 1.00 0.00 H new ATOM 0 HE2 LYS A 67 26.248 -5.058 -11.957 1.00 0.00 H new ATOM 0 HE3 LYS A 67 26.167 -6.387 -10.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 28.400 -6.102 -11.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 27.779 -7.604 -12.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 27.858 -6.316 -13.269 1.00 0.00 H new ATOM 1088 N LYS A 68 20.743 -6.522 -11.806 1.00 0.00 N ATOM 1089 CA LYS A 68 20.013 -7.059 -10.664 1.00 0.00 C ATOM 1090 C LYS A 68 20.842 -6.954 -9.389 1.00 0.00 C ATOM 1091 O LYS A 68 22.072 -6.894 -9.439 1.00 0.00 O ATOM 1092 CB LYS A 68 19.631 -8.519 -10.919 1.00 0.00 C ATOM 1093 CG LYS A 68 18.466 -9.000 -10.071 1.00 0.00 C ATOM 1094 CD LYS A 68 18.938 -9.861 -8.912 1.00 0.00 C ATOM 1095 CE LYS A 68 17.813 -10.730 -8.368 1.00 0.00 C ATOM 1096 NZ LYS A 68 17.545 -11.902 -9.246 1.00 0.00 N ATOM 0 H LYS A 68 20.846 -7.173 -12.585 1.00 0.00 H new ATOM 0 HA LYS A 68 19.106 -6.469 -10.534 1.00 0.00 H new ATOM 0 HB2 LYS A 68 19.378 -8.641 -11.972 1.00 0.00 H new ATOM 0 HB3 LYS A 68 20.497 -9.152 -10.724 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.916 -8.141 -9.687 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.775 -9.570 -10.691 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.762 -10.494 -9.240 1.00 0.00 H new ATOM 0 HD3 LYS A 68 19.323 -9.223 -8.117 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.073 -11.077 -7.368 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.906 -10.133 -8.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.870 -12.540 -8.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.143 -11.575 -10.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.434 -12.411 -9.427 1.00 0.00 H new