USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 664 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 57 GLN : amide:sc= -1.23 K(o=-1.2,f=-2) USER MOD Set 1.2: A 87 SER OG : rot -125:sc= 0.00838 USER MOD Single : A 17 THR OG1 : rot 82:sc= 0.575 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 73:sc= 0.909 USER MOD Single : A 25 TYR OH : rot -173:sc= -0.575 USER MOD Single : A 27 CYS SG : rot 69:sc= 0.251 USER MOD Single : A 29 CYS SG : rot 180:sc= 0.00966 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00165) USER MOD Single : A 36 LYS NZ :NH3+ -123:sc= -0.0708 (180deg=-1.08) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -149:sc= -5.76! (180deg=-7.59!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0584 USER MOD Single : A 66 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.142) USER MOD Single : A 67 HIS : no HD1:sc= -5.91! C(o=-5.9!,f=-9!) USER MOD Single : A 70 ASN : amide:sc= -0.418 X(o=-0.42,f=0) USER MOD Single : A 71 TYR OH : rot -23:sc= -0.676 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -2.71! K(o=-2.7!,f=-0.39) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 132 N VAL A 13 9.904 27.424 -4.841 1.00 0.00 N ATOM 133 CA VAL A 13 10.390 26.247 -4.130 1.00 0.00 C ATOM 134 C VAL A 13 9.492 25.914 -2.945 1.00 0.00 C ATOM 135 O VAL A 13 9.443 24.770 -2.493 1.00 0.00 O ATOM 136 CB VAL A 13 11.831 26.450 -3.628 1.00 0.00 C ATOM 137 CG1 VAL A 13 11.934 27.720 -2.797 1.00 0.00 C ATOM 138 CG2 VAL A 13 12.291 25.241 -2.827 1.00 0.00 C ATOM 0 HA VAL A 13 10.374 25.419 -4.839 1.00 0.00 H new ATOM 0 HB VAL A 13 12.486 26.556 -4.492 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.960 27.846 -2.451 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.648 28.578 -3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.268 27.647 -1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.312 25.401 -2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.634 25.102 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.258 24.353 -3.458 1.00 0.00 H new ATOM 148 N GLU A 14 8.782 26.920 -2.444 1.00 0.00 N ATOM 149 CA GLU A 14 7.886 26.733 -1.309 1.00 0.00 C ATOM 150 C GLU A 14 6.636 25.962 -1.724 1.00 0.00 C ATOM 151 O GLU A 14 6.370 24.872 -1.219 1.00 0.00 O ATOM 152 CB GLU A 14 7.490 28.086 -0.715 1.00 0.00 C ATOM 153 CG GLU A 14 7.059 28.009 0.741 1.00 0.00 C ATOM 154 CD GLU A 14 8.236 27.977 1.696 1.00 0.00 C ATOM 155 OE1 GLU A 14 8.783 26.878 1.926 1.00 0.00 O ATOM 156 OE2 GLU A 14 8.609 29.049 2.214 1.00 0.00 O ATOM 0 H GLU A 14 8.810 27.873 -2.806 1.00 0.00 H new ATOM 0 HA GLU A 14 8.415 26.153 -0.553 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.333 28.771 -0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.676 28.508 -1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.429 28.867 0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.451 27.117 0.889 1.00 0.00 H new ATOM 163 N ILE A 15 5.874 26.536 -2.649 1.00 0.00 N ATOM 164 CA ILE A 15 4.653 25.904 -3.133 1.00 0.00 C ATOM 165 C ILE A 15 4.911 24.462 -3.554 1.00 0.00 C ATOM 166 O ILE A 15 4.048 23.597 -3.403 1.00 0.00 O ATOM 167 CB ILE A 15 4.053 26.675 -4.323 1.00 0.00 C ATOM 168 CG1 ILE A 15 2.562 26.361 -4.463 1.00 0.00 C ATOM 169 CG2 ILE A 15 4.795 26.331 -5.606 1.00 0.00 C ATOM 170 CD1 ILE A 15 1.871 27.176 -5.534 1.00 0.00 C ATOM 0 H ILE A 15 6.081 27.438 -3.078 1.00 0.00 H new ATOM 0 HA ILE A 15 3.942 25.917 -2.307 1.00 0.00 H new ATOM 0 HB ILE A 15 4.164 27.743 -4.138 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.442 25.302 -4.690 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.070 26.540 -3.507 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.359 26.884 -6.438 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.846 26.601 -5.502 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.712 25.261 -5.798 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.817 26.901 -5.577 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.960 28.236 -5.298 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.337 26.979 -6.499 1.00 0.00 H new ATOM 182 N GLU A 16 6.105 24.209 -4.080 1.00 0.00 N ATOM 183 CA GLU A 16 6.477 22.870 -4.522 1.00 0.00 C ATOM 184 C GLU A 16 6.723 21.952 -3.327 1.00 0.00 C ATOM 185 O GLU A 16 6.282 20.802 -3.311 1.00 0.00 O ATOM 186 CB GLU A 16 7.728 22.927 -5.401 1.00 0.00 C ATOM 187 CG GLU A 16 7.586 23.847 -6.602 1.00 0.00 C ATOM 188 CD GLU A 16 7.042 23.131 -7.823 1.00 0.00 C ATOM 189 OE1 GLU A 16 5.806 22.987 -7.926 1.00 0.00 O ATOM 190 OE2 GLU A 16 7.854 22.717 -8.677 1.00 0.00 O ATOM 0 H GLU A 16 6.831 24.913 -4.211 1.00 0.00 H new ATOM 0 HA GLU A 16 5.650 22.465 -5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.572 23.260 -4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.963 21.921 -5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.924 24.674 -6.345 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.558 24.279 -6.841 1.00 0.00 H new ATOM 197 N THR A 17 7.433 22.468 -2.329 1.00 0.00 N ATOM 198 CA THR A 17 7.739 21.695 -1.131 1.00 0.00 C ATOM 199 C THR A 17 6.468 21.316 -0.380 1.00 0.00 C ATOM 200 O THR A 17 6.391 20.251 0.233 1.00 0.00 O ATOM 201 CB THR A 17 8.669 22.475 -0.182 1.00 0.00 C ATOM 202 OG1 THR A 17 9.994 22.523 -0.723 1.00 0.00 O ATOM 203 CG2 THR A 17 8.701 21.832 1.195 1.00 0.00 C ATOM 0 H THR A 17 7.807 23.417 -2.326 1.00 0.00 H new ATOM 0 HA THR A 17 8.246 20.788 -1.461 1.00 0.00 H new ATOM 0 HB THR A 17 8.281 23.489 -0.083 1.00 0.00 H new ATOM 0 HG1 THR A 17 10.052 23.245 -1.383 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.364 22.401 1.847 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.696 21.825 1.617 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.066 20.808 1.110 1.00 0.00 H new ATOM 211 N LEU A 18 5.472 22.193 -0.432 1.00 0.00 N ATOM 212 CA LEU A 18 4.202 21.950 0.244 1.00 0.00 C ATOM 213 C LEU A 18 3.501 20.726 -0.339 1.00 0.00 C ATOM 214 O LEU A 18 2.995 19.880 0.397 1.00 0.00 O ATOM 215 CB LEU A 18 3.295 23.176 0.124 1.00 0.00 C ATOM 216 CG LEU A 18 3.552 24.302 1.127 1.00 0.00 C ATOM 217 CD1 LEU A 18 2.774 25.549 0.739 1.00 0.00 C ATOM 218 CD2 LEU A 18 3.182 23.856 2.534 1.00 0.00 C ATOM 0 H LEU A 18 5.519 23.079 -0.935 1.00 0.00 H new ATOM 0 HA LEU A 18 4.409 21.761 1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.398 23.582 -0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.261 22.850 0.232 1.00 0.00 H new ATOM 0 HG LEU A 18 4.615 24.543 1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.969 26.340 1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.087 25.879 -0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.708 25.323 0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.371 24.669 3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.126 23.588 2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.784 22.991 2.811 1.00 0.00 H new ATOM 230 N ARG A 19 3.480 20.639 -1.665 1.00 0.00 N ATOM 231 CA ARG A 19 2.842 19.518 -2.346 1.00 0.00 C ATOM 232 C ARG A 19 3.528 18.203 -1.988 1.00 0.00 C ATOM 233 O ARG A 19 2.872 17.182 -1.787 1.00 0.00 O ATOM 234 CB ARG A 19 2.877 19.727 -3.861 1.00 0.00 C ATOM 235 CG ARG A 19 1.786 20.655 -4.372 1.00 0.00 C ATOM 236 CD ARG A 19 2.090 21.150 -5.778 1.00 0.00 C ATOM 237 NE ARG A 19 1.427 22.418 -6.066 1.00 0.00 N ATOM 238 CZ ARG A 19 1.385 22.967 -7.275 1.00 0.00 C ATOM 239 NH1 ARG A 19 1.964 22.362 -8.303 1.00 0.00 N ATOM 240 NH2 ARG A 19 0.762 24.124 -7.458 1.00 0.00 N ATOM 0 H ARG A 19 3.897 21.330 -2.289 1.00 0.00 H new ATOM 0 HA ARG A 19 1.804 19.469 -2.017 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.849 20.133 -4.141 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.781 18.760 -4.355 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.830 20.131 -4.368 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.686 21.506 -3.699 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.167 21.269 -5.896 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.771 20.401 -6.503 1.00 0.00 H new ATOM 0 HE ARG A 19 0.971 22.909 -5.297 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.444 21.472 -8.167 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.930 22.786 -9.230 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.315 24.593 -6.670 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.730 24.545 -8.387 1.00 0.00 H new ATOM 254 N LYS A 20 4.855 18.236 -1.909 1.00 0.00 N ATOM 255 CA LYS A 20 5.632 17.048 -1.575 1.00 0.00 C ATOM 256 C LYS A 20 5.323 16.577 -0.157 1.00 0.00 C ATOM 257 O LYS A 20 5.110 15.388 0.080 1.00 0.00 O ATOM 258 CB LYS A 20 7.129 17.338 -1.713 1.00 0.00 C ATOM 259 CG LYS A 20 7.649 17.190 -3.132 1.00 0.00 C ATOM 260 CD LYS A 20 9.127 16.842 -3.150 1.00 0.00 C ATOM 261 CE LYS A 20 9.994 18.092 -3.165 1.00 0.00 C ATOM 262 NZ LYS A 20 10.115 18.668 -4.533 1.00 0.00 N ATOM 0 H LYS A 20 5.414 19.073 -2.072 1.00 0.00 H new ATOM 0 HA LYS A 20 5.356 16.255 -2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.328 18.352 -1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.683 16.664 -1.060 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.085 16.413 -3.648 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.486 18.119 -3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.371 16.239 -2.275 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.348 16.234 -4.027 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.568 18.837 -2.494 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.986 17.850 -2.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.713 19.518 -4.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.545 17.966 -5.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.171 18.923 -4.887 1.00 0.00 H new ATOM 276 N THR A 21 5.298 17.517 0.781 1.00 0.00 N ATOM 277 CA THR A 21 5.014 17.198 2.175 1.00 0.00 C ATOM 278 C THR A 21 3.666 16.500 2.316 1.00 0.00 C ATOM 279 O THR A 21 3.558 15.464 2.972 1.00 0.00 O ATOM 280 CB THR A 21 5.018 18.464 3.053 1.00 0.00 C ATOM 281 OG1 THR A 21 6.234 19.194 2.856 1.00 0.00 O ATOM 282 CG2 THR A 21 4.871 18.103 4.524 1.00 0.00 C ATOM 0 H THR A 21 5.471 18.506 0.601 1.00 0.00 H new ATOM 0 HA THR A 21 5.804 16.528 2.513 1.00 0.00 H new ATOM 0 HB THR A 21 4.171 19.084 2.760 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.218 19.625 1.976 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.877 19.013 5.124 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.931 17.573 4.676 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.701 17.464 4.826 1.00 0.00 H new ATOM 290 N VAL A 22 2.639 17.075 1.696 1.00 0.00 N ATOM 291 CA VAL A 22 1.298 16.506 1.751 1.00 0.00 C ATOM 292 C VAL A 22 1.242 15.160 1.036 1.00 0.00 C ATOM 293 O VAL A 22 0.575 14.232 1.492 1.00 0.00 O ATOM 294 CB VAL A 22 0.260 17.454 1.120 1.00 0.00 C ATOM 295 CG1 VAL A 22 -1.141 16.881 1.262 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.349 18.835 1.752 1.00 0.00 C ATOM 0 H VAL A 22 2.711 17.934 1.150 1.00 0.00 H new ATOM 0 HA VAL A 22 1.057 16.365 2.805 1.00 0.00 H new ATOM 0 HB VAL A 22 0.479 17.552 0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.861 17.564 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.192 15.916 0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.376 16.752 2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.391 19.493 1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.155 18.759 2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.346 19.245 1.592 1.00 0.00 H new ATOM 306 N GLU A 23 1.948 15.063 -0.087 1.00 0.00 N ATOM 307 CA GLU A 23 1.978 13.830 -0.865 1.00 0.00 C ATOM 308 C GLU A 23 2.389 12.647 0.006 1.00 0.00 C ATOM 309 O GLU A 23 1.798 11.569 -0.073 1.00 0.00 O ATOM 310 CB GLU A 23 2.941 13.969 -2.045 1.00 0.00 C ATOM 311 CG GLU A 23 2.289 14.517 -3.302 1.00 0.00 C ATOM 312 CD GLU A 23 3.185 14.408 -4.520 1.00 0.00 C ATOM 313 OE1 GLU A 23 4.146 15.197 -4.624 1.00 0.00 O ATOM 314 OE2 GLU A 23 2.925 13.531 -5.371 1.00 0.00 O ATOM 0 H GLU A 23 2.506 15.822 -0.477 1.00 0.00 H new ATOM 0 HA GLU A 23 0.973 13.646 -1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.763 14.625 -1.757 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.374 12.994 -2.266 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.360 13.978 -3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.024 15.562 -3.143 1.00 0.00 H new ATOM 321 N ASP A 24 3.407 12.855 0.834 1.00 0.00 N ATOM 322 CA ASP A 24 3.898 11.806 1.720 1.00 0.00 C ATOM 323 C ASP A 24 2.880 11.496 2.812 1.00 0.00 C ATOM 324 O ASP A 24 2.543 10.336 3.050 1.00 0.00 O ATOM 325 CB ASP A 24 5.228 12.224 2.350 1.00 0.00 C ATOM 326 CG ASP A 24 6.125 11.039 2.648 1.00 0.00 C ATOM 327 OD1 ASP A 24 5.977 9.998 1.974 1.00 0.00 O ATOM 328 OD2 ASP A 24 6.975 11.151 3.556 1.00 0.00 O ATOM 0 H ASP A 24 3.908 13.740 0.910 1.00 0.00 H new ATOM 0 HA ASP A 24 4.052 10.905 1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.746 12.908 1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.034 12.770 3.273 1.00 0.00 H new ATOM 333 N TYR A 25 2.392 12.540 3.473 1.00 0.00 N ATOM 334 CA TYR A 25 1.415 12.378 4.542 1.00 0.00 C ATOM 335 C TYR A 25 0.352 11.353 4.159 1.00 0.00 C ATOM 336 O TYR A 25 0.207 10.317 4.810 1.00 0.00 O ATOM 337 CB TYR A 25 0.752 13.720 4.863 1.00 0.00 C ATOM 338 CG TYR A 25 0.217 13.808 6.275 1.00 0.00 C ATOM 339 CD1 TYR A 25 1.070 14.026 7.350 1.00 0.00 C ATOM 340 CD2 TYR A 25 -1.141 13.674 6.535 1.00 0.00 C ATOM 341 CE1 TYR A 25 0.587 14.108 8.641 1.00 0.00 C ATOM 342 CE2 TYR A 25 -1.634 13.755 7.822 1.00 0.00 C ATOM 343 CZ TYR A 25 -0.766 13.972 8.872 1.00 0.00 C ATOM 344 OH TYR A 25 -1.253 14.052 10.156 1.00 0.00 O ATOM 0 H TYR A 25 2.657 13.507 3.287 1.00 0.00 H new ATOM 0 HA TYR A 25 1.940 12.017 5.427 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.476 14.520 4.707 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.066 13.889 4.162 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.130 14.133 7.173 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.823 13.503 5.716 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.264 14.278 9.465 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.693 13.649 8.006 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.207 13.826 10.159 1.00 0.00 H new ATOM 354 N PHE A 26 -0.390 11.648 3.096 1.00 0.00 N ATOM 355 CA PHE A 26 -1.440 10.752 2.624 1.00 0.00 C ATOM 356 C PHE A 26 -0.950 9.308 2.596 1.00 0.00 C ATOM 357 O PHE A 26 -1.698 8.382 2.914 1.00 0.00 O ATOM 358 CB PHE A 26 -1.907 11.172 1.229 1.00 0.00 C ATOM 359 CG PHE A 26 -2.669 12.467 1.216 1.00 0.00 C ATOM 360 CD1 PHE A 26 -3.720 12.676 2.093 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.332 13.474 0.326 1.00 0.00 C ATOM 362 CE1 PHE A 26 -4.422 13.867 2.083 1.00 0.00 C ATOM 363 CE2 PHE A 26 -3.030 14.667 0.312 1.00 0.00 C ATOM 364 CZ PHE A 26 -4.077 14.863 1.191 1.00 0.00 C ATOM 0 H PHE A 26 -0.284 12.500 2.545 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.279 10.818 3.316 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.039 11.264 0.576 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.536 10.385 0.813 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.994 11.900 2.792 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.515 13.325 -0.364 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.240 14.018 2.772 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.757 15.445 -0.386 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.625 15.794 1.181 1.00 0.00 H new ATOM 374 N CYS A 27 0.309 9.123 2.213 1.00 0.00 N ATOM 375 CA CYS A 27 0.898 7.791 2.142 1.00 0.00 C ATOM 376 C CYS A 27 1.028 7.178 3.533 1.00 0.00 C ATOM 377 O CYS A 27 0.660 6.024 3.751 1.00 0.00 O ATOM 378 CB CYS A 27 2.270 7.853 1.468 1.00 0.00 C ATOM 379 SG CYS A 27 2.290 8.782 -0.083 1.00 0.00 S ATOM 0 H CYS A 27 0.941 9.878 1.947 1.00 0.00 H new ATOM 0 HA CYS A 27 0.237 7.160 1.548 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.982 8.305 2.159 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.614 6.837 1.275 1.00 0.00 H new ATOM 0 HG CYS A 27 2.101 10.044 0.165 1.00 0.00 H new ATOM 385 N PHE A 28 1.556 7.959 4.470 1.00 0.00 N ATOM 386 CA PHE A 28 1.737 7.493 5.839 1.00 0.00 C ATOM 387 C PHE A 28 0.417 6.999 6.426 1.00 0.00 C ATOM 388 O PHE A 28 0.330 5.883 6.937 1.00 0.00 O ATOM 389 CB PHE A 28 2.308 8.612 6.711 1.00 0.00 C ATOM 390 CG PHE A 28 2.038 8.429 8.176 1.00 0.00 C ATOM 391 CD1 PHE A 28 2.763 7.513 8.920 1.00 0.00 C ATOM 392 CD2 PHE A 28 1.056 9.174 8.811 1.00 0.00 C ATOM 393 CE1 PHE A 28 2.517 7.343 10.270 1.00 0.00 C ATOM 394 CE2 PHE A 28 0.805 9.008 10.160 1.00 0.00 C ATOM 395 CZ PHE A 28 1.535 8.090 10.890 1.00 0.00 C ATOM 0 H PHE A 28 1.866 8.917 4.306 1.00 0.00 H new ATOM 0 HA PHE A 28 2.441 6.661 5.821 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.385 8.671 6.553 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.886 9.564 6.388 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.530 6.924 8.440 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.481 9.892 8.245 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.092 6.627 10.839 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.039 9.596 10.643 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.338 7.957 11.944 1.00 0.00 H new ATOM 405 N CYS A 29 -0.608 7.841 6.349 1.00 0.00 N ATOM 406 CA CYS A 29 -1.924 7.493 6.872 1.00 0.00 C ATOM 407 C CYS A 29 -2.437 6.204 6.240 1.00 0.00 C ATOM 408 O CYS A 29 -2.936 5.316 6.933 1.00 0.00 O ATOM 409 CB CYS A 29 -2.914 8.631 6.617 1.00 0.00 C ATOM 410 SG CYS A 29 -2.398 10.225 7.294 1.00 0.00 S ATOM 0 H CYS A 29 -0.553 8.769 5.930 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.831 7.336 7.947 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.061 8.736 5.542 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.879 8.361 7.046 1.00 0.00 H new ATOM 0 HG CYS A 29 -3.299 11.123 7.025 1.00 0.00 H new ATOM 416 N TYR A 30 -2.314 6.108 4.920 1.00 0.00 N ATOM 417 CA TYR A 30 -2.770 4.929 4.193 1.00 0.00 C ATOM 418 C TYR A 30 -2.009 3.686 4.642 1.00 0.00 C ATOM 419 O TYR A 30 -2.595 2.742 5.171 1.00 0.00 O ATOM 420 CB TYR A 30 -2.594 5.134 2.688 1.00 0.00 C ATOM 421 CG TYR A 30 -3.104 3.978 1.857 1.00 0.00 C ATOM 422 CD1 TYR A 30 -4.286 3.326 2.188 1.00 0.00 C ATOM 423 CD2 TYR A 30 -2.404 3.536 0.741 1.00 0.00 C ATOM 424 CE1 TYR A 30 -4.755 2.270 1.432 1.00 0.00 C ATOM 425 CE2 TYR A 30 -2.867 2.481 -0.021 1.00 0.00 C ATOM 426 CZ TYR A 30 -4.042 1.851 0.328 1.00 0.00 C ATOM 427 OH TYR A 30 -4.507 0.799 -0.427 1.00 0.00 O ATOM 0 H TYR A 30 -1.902 6.833 4.332 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.828 4.783 4.411 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.116 6.043 2.390 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.537 5.288 2.472 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.847 3.651 3.052 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.482 4.026 0.465 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.675 1.775 1.704 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.311 2.151 -0.886 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.889 0.631 -1.169 1.00 0.00 H new ATOM 437 N GLY A 31 -0.697 3.693 4.426 1.00 0.00 N ATOM 438 CA GLY A 31 0.125 2.561 4.814 1.00 0.00 C ATOM 439 C GLY A 31 0.056 2.276 6.302 1.00 0.00 C ATOM 440 O GLY A 31 0.237 1.138 6.733 1.00 0.00 O ATOM 0 H GLY A 31 -0.189 4.462 3.989 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.196 1.677 4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.160 2.754 4.532 1.00 0.00 H new ATOM 444 N LYS A 32 -0.206 3.314 7.090 1.00 0.00 N ATOM 445 CA LYS A 32 -0.299 3.172 8.538 1.00 0.00 C ATOM 446 C LYS A 32 -1.551 2.393 8.929 1.00 0.00 C ATOM 447 O LYS A 32 -1.511 1.539 9.814 1.00 0.00 O ATOM 448 CB LYS A 32 -0.312 4.548 9.206 1.00 0.00 C ATOM 449 CG LYS A 32 -0.846 4.529 10.628 1.00 0.00 C ATOM 450 CD LYS A 32 -2.355 4.705 10.658 1.00 0.00 C ATOM 451 CE LYS A 32 -2.814 5.357 11.954 1.00 0.00 C ATOM 452 NZ LYS A 32 -2.573 4.479 13.133 1.00 0.00 N ATOM 0 H LYS A 32 -0.358 4.263 6.749 1.00 0.00 H new ATOM 0 HA LYS A 32 0.574 2.617 8.881 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.702 4.949 9.213 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.919 5.227 8.608 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.579 3.586 11.106 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.374 5.324 11.206 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.668 5.316 9.811 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.838 3.734 10.547 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.288 6.302 12.091 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.877 5.591 11.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.915 4.952 13.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.081 3.581 13.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.554 4.290 13.223 1.00 0.00 H new ATOM 466 N ALA A 33 -2.661 2.692 8.262 1.00 0.00 N ATOM 467 CA ALA A 33 -3.923 2.017 8.537 1.00 0.00 C ATOM 468 C ALA A 33 -3.885 0.568 8.066 1.00 0.00 C ATOM 469 O ALA A 33 -4.557 -0.296 8.629 1.00 0.00 O ATOM 470 CB ALA A 33 -5.074 2.761 7.875 1.00 0.00 C ATOM 0 H ALA A 33 -2.712 3.398 7.527 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.079 2.016 9.616 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.011 2.246 8.088 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.122 3.778 8.265 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.915 2.793 6.797 1.00 0.00 H new ATOM 476 N LEU A 34 -3.096 0.309 7.029 1.00 0.00 N ATOM 477 CA LEU A 34 -2.972 -1.037 6.480 1.00 0.00 C ATOM 478 C LEU A 34 -2.336 -1.982 7.494 1.00 0.00 C ATOM 479 O LEU A 34 -2.673 -3.164 7.555 1.00 0.00 O ATOM 480 CB LEU A 34 -2.138 -1.012 5.198 1.00 0.00 C ATOM 481 CG LEU A 34 -2.914 -0.806 3.896 1.00 0.00 C ATOM 482 CD1 LEU A 34 -1.967 -0.450 2.761 1.00 0.00 C ATOM 483 CD2 LEU A 34 -3.719 -2.050 3.552 1.00 0.00 C ATOM 0 H LEU A 34 -2.533 1.013 6.552 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.973 -1.401 6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.397 -0.217 5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.590 -1.952 5.126 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.608 0.023 4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.537 -0.307 1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.436 0.470 3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.248 -1.257 2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.264 -1.885 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.045 -2.898 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.425 -2.260 4.355 1.00 0.00 H new ATOM 495 N GLY A 35 -1.414 -1.451 8.292 1.00 0.00 N ATOM 496 CA GLY A 35 -0.747 -2.261 9.296 1.00 0.00 C ATOM 497 C GLY A 35 0.641 -2.693 8.864 1.00 0.00 C ATOM 498 O GLY A 35 1.130 -3.745 9.278 1.00 0.00 O ATOM 0 H GLY A 35 -1.117 -0.476 8.261 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.676 -1.696 10.225 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.350 -3.144 9.505 1.00 0.00 H new ATOM 502 N LYS A 36 1.277 -1.880 8.028 1.00 0.00 N ATOM 503 CA LYS A 36 2.616 -2.182 7.539 1.00 0.00 C ATOM 504 C LYS A 36 3.670 -1.400 8.317 1.00 0.00 C ATOM 505 O LYS A 36 3.341 -0.601 9.195 1.00 0.00 O ATOM 506 CB LYS A 36 2.723 -1.856 6.048 1.00 0.00 C ATOM 507 CG LYS A 36 1.534 -2.337 5.233 1.00 0.00 C ATOM 508 CD LYS A 36 1.956 -2.795 3.848 1.00 0.00 C ATOM 509 CE LYS A 36 2.153 -1.617 2.907 1.00 0.00 C ATOM 510 NZ LYS A 36 3.029 -1.967 1.754 1.00 0.00 N ATOM 0 H LYS A 36 0.886 -1.006 7.675 1.00 0.00 H new ATOM 0 HA LYS A 36 2.797 -3.247 7.686 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.823 -0.777 5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.632 -2.307 5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.043 -3.158 5.755 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.803 -1.533 5.144 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.883 -3.364 3.919 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.200 -3.466 3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.184 -1.281 2.538 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.591 -0.783 3.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.842 -1.319 1.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.369 -2.944 1.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.489 -1.883 0.869 1.00 0.00 H new ATOM 524 N SER A 37 4.937 -1.634 7.989 1.00 0.00 N ATOM 525 CA SER A 37 6.039 -0.953 8.659 1.00 0.00 C ATOM 526 C SER A 37 6.649 0.114 7.755 1.00 0.00 C ATOM 527 O SER A 37 7.588 0.810 8.141 1.00 0.00 O ATOM 528 CB SER A 37 7.112 -1.960 9.076 1.00 0.00 C ATOM 529 OG SER A 37 7.582 -2.694 7.958 1.00 0.00 O ATOM 0 H SER A 37 5.226 -2.290 7.263 1.00 0.00 H new ATOM 0 HA SER A 37 5.644 -0.466 9.550 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.944 -1.436 9.547 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.704 -2.645 9.820 1.00 0.00 H new ATOM 0 HG SER A 37 8.268 -3.330 8.249 1.00 0.00 H new ATOM 535 N THR A 38 6.106 0.237 6.547 1.00 0.00 N ATOM 536 CA THR A 38 6.597 1.217 5.586 1.00 0.00 C ATOM 537 C THR A 38 5.456 2.063 5.033 1.00 0.00 C ATOM 538 O THR A 38 4.284 1.724 5.193 1.00 0.00 O ATOM 539 CB THR A 38 7.330 0.537 4.415 1.00 0.00 C ATOM 540 OG1 THR A 38 6.489 -0.458 3.821 1.00 0.00 O ATOM 541 CG2 THR A 38 8.626 -0.106 4.888 1.00 0.00 C ATOM 0 H THR A 38 5.327 -0.329 6.212 1.00 0.00 H new ATOM 0 HA THR A 38 7.298 1.859 6.119 1.00 0.00 H new ATOM 0 HB THR A 38 7.569 1.300 3.674 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.962 -0.884 3.076 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.126 -0.580 4.044 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.277 0.658 5.313 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.404 -0.857 5.646 1.00 0.00 H new ATOM 549 N VAL A 39 5.807 3.167 4.381 1.00 0.00 N ATOM 550 CA VAL A 39 4.811 4.061 3.802 1.00 0.00 C ATOM 551 C VAL A 39 4.276 3.509 2.485 1.00 0.00 C ATOM 552 O VAL A 39 4.999 2.855 1.734 1.00 0.00 O ATOM 553 CB VAL A 39 5.394 5.466 3.556 1.00 0.00 C ATOM 554 CG1 VAL A 39 5.240 6.332 4.798 1.00 0.00 C ATOM 555 CG2 VAL A 39 6.854 5.371 3.140 1.00 0.00 C ATOM 0 H VAL A 39 6.773 3.464 4.241 1.00 0.00 H new ATOM 0 HA VAL A 39 3.995 4.134 4.521 1.00 0.00 H new ATOM 0 HB VAL A 39 4.838 5.935 2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.657 7.321 4.606 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.183 6.426 5.047 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.769 5.870 5.631 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.250 6.372 2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.426 4.883 3.929 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.934 4.789 2.222 1.00 0.00 H new ATOM 565 N VAL A 40 3.003 3.777 2.212 1.00 0.00 N ATOM 566 CA VAL A 40 2.369 3.309 0.985 1.00 0.00 C ATOM 567 C VAL A 40 1.747 4.465 0.212 1.00 0.00 C ATOM 568 O VAL A 40 0.974 5.259 0.747 1.00 0.00 O ATOM 569 CB VAL A 40 1.280 2.259 1.281 1.00 0.00 C ATOM 570 CG1 VAL A 40 0.506 1.923 0.016 1.00 0.00 C ATOM 571 CG2 VAL A 40 1.897 1.008 1.888 1.00 0.00 C ATOM 0 H VAL A 40 2.390 4.316 2.824 1.00 0.00 H new ATOM 0 HA VAL A 40 3.151 2.851 0.380 1.00 0.00 H new ATOM 0 HB VAL A 40 0.581 2.679 2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.259 1.180 0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.032 2.825 -0.371 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.189 1.523 -0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.114 0.278 2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.618 0.583 1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.402 1.266 2.819 1.00 0.00 H new ATOM 581 N PRO A 41 2.091 4.564 -1.081 1.00 0.00 N ATOM 582 CA PRO A 41 1.578 5.621 -1.958 1.00 0.00 C ATOM 583 C PRO A 41 0.094 5.449 -2.265 1.00 0.00 C ATOM 584 O PRO A 41 -0.332 4.404 -2.756 1.00 0.00 O ATOM 585 CB PRO A 41 2.410 5.460 -3.233 1.00 0.00 C ATOM 586 CG PRO A 41 2.833 4.031 -3.231 1.00 0.00 C ATOM 587 CD PRO A 41 3.008 3.653 -1.786 1.00 0.00 C ATOM 0 HA PRO A 41 1.662 6.607 -1.500 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.824 5.698 -4.121 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.271 6.128 -3.231 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.084 3.402 -3.711 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.763 3.898 -3.784 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.751 2.609 -1.610 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.039 3.787 -1.458 1.00 0.00 H new ATOM 595 N VAL A 42 -0.689 6.482 -1.974 1.00 0.00 N ATOM 596 CA VAL A 42 -2.126 6.446 -2.221 1.00 0.00 C ATOM 597 C VAL A 42 -2.429 6.505 -3.713 1.00 0.00 C ATOM 598 O VAL A 42 -2.186 7.509 -4.383 1.00 0.00 O ATOM 599 CB VAL A 42 -2.845 7.612 -1.516 1.00 0.00 C ATOM 600 CG1 VAL A 42 -4.311 7.658 -1.921 1.00 0.00 C ATOM 601 CG2 VAL A 42 -2.705 7.489 -0.006 1.00 0.00 C ATOM 0 H VAL A 42 -0.353 7.355 -1.567 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.493 5.503 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.377 8.546 -1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.803 8.488 -1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.386 7.797 -3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.795 6.723 -1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.219 8.321 0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.147 6.549 0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.649 7.509 0.264 1.00 0.00 H new ATOM 611 N PRO A 43 -2.973 5.402 -4.250 1.00 0.00 N ATOM 612 CA PRO A 43 -3.322 5.303 -5.670 1.00 0.00 C ATOM 613 C PRO A 43 -4.509 6.186 -6.038 1.00 0.00 C ATOM 614 O PRO A 43 -5.642 5.713 -6.135 1.00 0.00 O ATOM 615 CB PRO A 43 -3.681 3.825 -5.844 1.00 0.00 C ATOM 616 CG PRO A 43 -4.112 3.378 -4.490 1.00 0.00 C ATOM 617 CD PRO A 43 -3.288 4.169 -3.511 1.00 0.00 C ATOM 0 HA PRO A 43 -2.509 5.637 -6.314 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.478 3.695 -6.576 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.826 3.249 -6.198 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.176 3.559 -4.340 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.949 2.308 -4.362 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.842 4.379 -2.596 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.385 3.633 -3.220 1.00 0.00 H new ATOM 625 N TYR A 44 -4.243 7.471 -6.243 1.00 0.00 N ATOM 626 CA TYR A 44 -5.290 8.422 -6.599 1.00 0.00 C ATOM 627 C TYR A 44 -6.160 7.876 -7.726 1.00 0.00 C ATOM 628 O TYR A 44 -7.308 7.489 -7.507 1.00 0.00 O ATOM 629 CB TYR A 44 -4.675 9.758 -7.017 1.00 0.00 C ATOM 630 CG TYR A 44 -3.735 10.341 -5.985 1.00 0.00 C ATOM 631 CD1 TYR A 44 -4.205 10.765 -4.749 1.00 0.00 C ATOM 632 CD2 TYR A 44 -2.376 10.466 -6.247 1.00 0.00 C ATOM 633 CE1 TYR A 44 -3.350 11.298 -3.803 1.00 0.00 C ATOM 634 CE2 TYR A 44 -1.513 10.998 -5.307 1.00 0.00 C ATOM 635 CZ TYR A 44 -2.005 11.412 -4.088 1.00 0.00 C ATOM 636 OH TYR A 44 -1.150 11.942 -3.148 1.00 0.00 O ATOM 0 H TYR A 44 -3.311 7.879 -6.169 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.918 8.578 -5.721 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.134 9.622 -7.954 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.475 10.472 -7.212 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.257 10.677 -4.523 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.987 10.142 -7.201 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.732 11.623 -2.847 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.459 11.089 -5.527 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.237 11.952 -3.505 1.00 0.00 H new ATOM 646 N GLU A 45 -5.605 7.848 -8.934 1.00 0.00 N ATOM 647 CA GLU A 45 -6.330 7.350 -10.096 1.00 0.00 C ATOM 648 C GLU A 45 -7.340 6.279 -9.690 1.00 0.00 C ATOM 649 O GLU A 45 -8.495 6.304 -10.116 1.00 0.00 O ATOM 650 CB GLU A 45 -5.355 6.781 -11.129 1.00 0.00 C ATOM 651 CG GLU A 45 -6.039 6.193 -12.353 1.00 0.00 C ATOM 652 CD GLU A 45 -5.052 5.635 -13.359 1.00 0.00 C ATOM 653 OE1 GLU A 45 -4.331 6.435 -13.990 1.00 0.00 O ATOM 654 OE2 GLU A 45 -5.001 4.397 -13.517 1.00 0.00 O ATOM 0 H GLU A 45 -4.656 8.164 -9.133 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.871 8.186 -10.540 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.675 7.571 -11.448 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.748 6.009 -10.656 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.720 5.401 -12.039 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.644 6.963 -12.832 1.00 0.00 H new ATOM 661 N LYS A 46 -6.895 5.338 -8.863 1.00 0.00 N ATOM 662 CA LYS A 46 -7.757 4.258 -8.398 1.00 0.00 C ATOM 663 C LYS A 46 -8.816 4.785 -7.434 1.00 0.00 C ATOM 664 O LYS A 46 -9.989 4.422 -7.528 1.00 0.00 O ATOM 665 CB LYS A 46 -6.924 3.173 -7.713 1.00 0.00 C ATOM 666 CG LYS A 46 -5.820 2.608 -8.591 1.00 0.00 C ATOM 667 CD LYS A 46 -5.528 1.157 -8.255 1.00 0.00 C ATOM 668 CE LYS A 46 -6.512 0.217 -8.935 1.00 0.00 C ATOM 669 NZ LYS A 46 -6.342 -1.191 -8.479 1.00 0.00 N ATOM 0 H LYS A 46 -5.942 5.302 -8.501 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.260 3.829 -9.264 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.481 3.585 -6.807 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.583 2.361 -7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.110 2.688 -9.639 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.914 3.201 -8.465 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.513 0.908 -8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.576 1.016 -7.175 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.530 0.545 -8.727 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.375 0.268 -10.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.031 -1.799 -8.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.378 -1.514 -8.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.498 -1.245 -7.452 1.00 0.00 H new ATOM 683 N MET A 47 -8.396 5.643 -6.510 1.00 0.00 N ATOM 684 CA MET A 47 -9.309 6.220 -5.531 1.00 0.00 C ATOM 685 C MET A 47 -10.370 7.075 -6.217 1.00 0.00 C ATOM 686 O MET A 47 -11.568 6.886 -6.002 1.00 0.00 O ATOM 687 CB MET A 47 -8.536 7.064 -4.516 1.00 0.00 C ATOM 688 CG MET A 47 -7.903 6.244 -3.403 1.00 0.00 C ATOM 689 SD MET A 47 -9.062 5.863 -2.076 1.00 0.00 S ATOM 690 CE MET A 47 -8.976 7.369 -1.108 1.00 0.00 C ATOM 0 H MET A 47 -7.429 5.954 -6.419 1.00 0.00 H new ATOM 0 HA MET A 47 -9.807 5.403 -5.009 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.756 7.619 -5.036 1.00 0.00 H new ATOM 0 HB3 MET A 47 -9.211 7.798 -4.077 1.00 0.00 H new ATOM 0 HG2 MET A 47 -7.514 5.314 -3.818 1.00 0.00 H new ATOM 0 HG3 MET A 47 -7.054 6.790 -2.993 1.00 0.00 H new ATOM 0 HE1 MET A 47 -9.148 7.136 -0.057 1.00 0.00 H new ATOM 0 HE2 MET A 47 -7.990 7.820 -1.223 1.00 0.00 H new ATOM 0 HE3 MET A 47 -9.737 8.068 -1.454 1.00 0.00 H new ATOM 700 N LEU A 48 -9.924 8.016 -7.042 1.00 0.00 N ATOM 701 CA LEU A 48 -10.835 8.901 -7.759 1.00 0.00 C ATOM 702 C LEU A 48 -12.054 8.135 -8.263 1.00 0.00 C ATOM 703 O LEU A 48 -13.164 8.665 -8.292 1.00 0.00 O ATOM 704 CB LEU A 48 -10.114 9.564 -8.934 1.00 0.00 C ATOM 705 CG LEU A 48 -8.690 10.049 -8.660 1.00 0.00 C ATOM 706 CD1 LEU A 48 -8.131 10.775 -9.874 1.00 0.00 C ATOM 707 CD2 LEU A 48 -8.660 10.952 -7.436 1.00 0.00 C ATOM 0 H LEU A 48 -8.936 8.186 -7.231 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.174 9.672 -7.067 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.082 8.855 -9.761 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.709 10.415 -9.266 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.063 9.180 -8.461 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.117 11.113 -9.661 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.116 10.098 -10.728 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.759 11.635 -10.105 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.639 11.287 -7.256 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.301 11.817 -7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.019 10.400 -6.567 1.00 0.00 H new ATOM 719 N ARG A 49 -11.839 6.884 -8.657 1.00 0.00 N ATOM 720 CA ARG A 49 -12.919 6.044 -9.159 1.00 0.00 C ATOM 721 C ARG A 49 -13.518 5.201 -8.037 1.00 0.00 C ATOM 722 O ARG A 49 -14.734 5.015 -7.967 1.00 0.00 O ATOM 723 CB ARG A 49 -12.410 5.134 -10.278 1.00 0.00 C ATOM 724 CG ARG A 49 -11.443 5.822 -11.229 1.00 0.00 C ATOM 725 CD ARG A 49 -11.553 5.259 -12.637 1.00 0.00 C ATOM 726 NE ARG A 49 -12.619 5.902 -13.401 1.00 0.00 N ATOM 727 CZ ARG A 49 -12.468 7.054 -14.046 1.00 0.00 C ATOM 728 NH1 ARG A 49 -11.304 7.686 -14.019 1.00 0.00 N ATOM 729 NH2 ARG A 49 -13.485 7.576 -14.720 1.00 0.00 N ATOM 0 H ARG A 49 -10.926 6.430 -8.638 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.697 6.696 -9.556 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.917 4.268 -9.835 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.261 4.760 -10.846 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.648 6.892 -11.247 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.423 5.699 -10.865 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.604 5.392 -13.156 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.740 4.186 -12.585 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.528 5.442 -13.442 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.520 7.289 -13.502 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.192 8.570 -14.515 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.383 7.093 -14.743 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.369 8.460 -15.215 1.00 0.00 H new ATOM 743 N ASP A 50 -12.657 4.693 -7.161 1.00 0.00 N ATOM 744 CA ASP A 50 -13.100 3.870 -6.042 1.00 0.00 C ATOM 745 C ASP A 50 -12.640 4.464 -4.714 1.00 0.00 C ATOM 746 O ASP A 50 -11.648 4.020 -4.137 1.00 0.00 O ATOM 747 CB ASP A 50 -12.570 2.443 -6.188 1.00 0.00 C ATOM 748 CG ASP A 50 -13.498 1.414 -5.574 1.00 0.00 C ATOM 749 OD1 ASP A 50 -14.506 1.063 -6.223 1.00 0.00 O ATOM 750 OD2 ASP A 50 -13.219 0.961 -4.444 1.00 0.00 O ATOM 0 H ASP A 50 -11.648 4.837 -7.205 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.190 3.846 -6.050 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.431 2.217 -7.245 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.590 2.372 -5.715 1.00 0.00 H new ATOM 755 N GLN A 51 -13.366 5.470 -4.238 1.00 0.00 N ATOM 756 CA GLN A 51 -13.029 6.126 -2.980 1.00 0.00 C ATOM 757 C GLN A 51 -13.432 5.260 -1.791 1.00 0.00 C ATOM 758 O GLN A 51 -12.827 5.338 -0.722 1.00 0.00 O ATOM 759 CB GLN A 51 -13.719 7.489 -2.890 1.00 0.00 C ATOM 760 CG GLN A 51 -13.413 8.404 -4.065 1.00 0.00 C ATOM 761 CD GLN A 51 -13.634 9.868 -3.738 1.00 0.00 C ATOM 762 OE1 GLN A 51 -14.414 10.205 -2.847 1.00 0.00 O ATOM 763 NE2 GLN A 51 -12.947 10.745 -4.458 1.00 0.00 N ATOM 0 H GLN A 51 -14.191 5.848 -4.704 1.00 0.00 H new ATOM 0 HA GLN A 51 -11.949 6.271 -2.952 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.797 7.338 -2.829 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.413 7.982 -1.967 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.378 8.257 -4.375 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.042 8.126 -4.911 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.311 10.420 -5.187 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.054 11.744 -4.283 1.00 0.00 H new ATOM 772 N SER A 52 -14.457 4.436 -1.984 1.00 0.00 N ATOM 773 CA SER A 52 -14.942 3.559 -0.926 1.00 0.00 C ATOM 774 C SER A 52 -13.801 2.733 -0.338 1.00 0.00 C ATOM 775 O SER A 52 -13.539 2.784 0.863 1.00 0.00 O ATOM 776 CB SER A 52 -16.034 2.632 -1.464 1.00 0.00 C ATOM 777 OG SER A 52 -16.759 3.251 -2.511 1.00 0.00 O ATOM 0 H SER A 52 -14.967 4.358 -2.864 1.00 0.00 H new ATOM 0 HA SER A 52 -15.361 4.182 -0.135 1.00 0.00 H new ATOM 0 HB2 SER A 52 -15.584 1.707 -1.826 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.715 2.361 -0.657 1.00 0.00 H new ATOM 0 HG SER A 52 -17.449 2.637 -2.838 1.00 0.00 H new ATOM 783 N ALA A 53 -13.128 1.972 -1.195 1.00 0.00 N ATOM 784 CA ALA A 53 -12.015 1.137 -0.763 1.00 0.00 C ATOM 785 C ALA A 53 -11.262 1.782 0.396 1.00 0.00 C ATOM 786 O ALA A 53 -10.791 1.095 1.303 1.00 0.00 O ATOM 787 CB ALA A 53 -11.070 0.874 -1.926 1.00 0.00 C ATOM 0 H ALA A 53 -13.335 1.917 -2.192 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.420 0.187 -0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.243 0.249 -1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.609 0.363 -2.724 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.680 1.821 -2.299 1.00 0.00 H new ATOM 793 N VAL A 54 -11.150 3.106 0.359 1.00 0.00 N ATOM 794 CA VAL A 54 -10.455 3.844 1.407 1.00 0.00 C ATOM 795 C VAL A 54 -10.998 5.263 1.533 1.00 0.00 C ATOM 796 O VAL A 54 -10.946 6.046 0.584 1.00 0.00 O ATOM 797 CB VAL A 54 -8.939 3.907 1.138 1.00 0.00 C ATOM 798 CG1 VAL A 54 -8.200 4.412 2.368 1.00 0.00 C ATOM 799 CG2 VAL A 54 -8.417 2.543 0.714 1.00 0.00 C ATOM 0 H VAL A 54 -11.532 3.690 -0.385 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.629 3.308 2.340 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.760 4.608 0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.131 4.450 2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.556 5.410 2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.383 3.738 3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.345 2.605 0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.606 1.819 1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.925 2.226 -0.197 1.00 0.00 H new ATOM 809 N VAL A 55 -11.518 5.590 2.711 1.00 0.00 N ATOM 810 CA VAL A 55 -12.069 6.917 2.962 1.00 0.00 C ATOM 811 C VAL A 55 -11.043 7.819 3.639 1.00 0.00 C ATOM 812 O VAL A 55 -10.143 7.343 4.331 1.00 0.00 O ATOM 813 CB VAL A 55 -13.331 6.842 3.842 1.00 0.00 C ATOM 814 CG1 VAL A 55 -14.013 8.200 3.914 1.00 0.00 C ATOM 815 CG2 VAL A 55 -14.287 5.783 3.314 1.00 0.00 C ATOM 0 H VAL A 55 -11.570 4.955 3.507 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.335 7.339 1.993 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.033 6.558 4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -14.903 8.128 4.540 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.326 8.930 4.343 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -14.300 8.517 2.911 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.173 5.744 3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.581 6.034 2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.793 4.811 3.320 1.00 0.00 H new ATOM 825 N VAL A 56 -11.186 9.124 3.434 1.00 0.00 N ATOM 826 CA VAL A 56 -10.272 10.095 4.025 1.00 0.00 C ATOM 827 C VAL A 56 -11.031 11.145 4.829 1.00 0.00 C ATOM 828 O VAL A 56 -11.917 11.820 4.305 1.00 0.00 O ATOM 829 CB VAL A 56 -9.428 10.801 2.947 1.00 0.00 C ATOM 830 CG1 VAL A 56 -8.295 11.588 3.586 1.00 0.00 C ATOM 831 CG2 VAL A 56 -8.888 9.789 1.948 1.00 0.00 C ATOM 0 H VAL A 56 -11.926 9.534 2.863 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.609 9.541 4.690 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.067 11.502 2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.710 12.080 2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.708 12.339 4.259 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.653 10.910 4.149 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.294 10.304 1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.263 9.062 2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.719 9.274 1.466 1.00 0.00 H new ATOM 841 N GLN A 57 -10.676 11.277 6.103 1.00 0.00 N ATOM 842 CA GLN A 57 -11.325 12.246 6.978 1.00 0.00 C ATOM 843 C GLN A 57 -10.359 13.360 7.368 1.00 0.00 C ATOM 844 O GLN A 57 -9.147 13.227 7.211 1.00 0.00 O ATOM 845 CB GLN A 57 -11.856 11.554 8.236 1.00 0.00 C ATOM 846 CG GLN A 57 -12.941 10.526 7.951 1.00 0.00 C ATOM 847 CD GLN A 57 -13.448 9.851 9.210 1.00 0.00 C ATOM 848 OE1 GLN A 57 -12.716 9.707 10.189 1.00 0.00 O ATOM 849 NE2 GLN A 57 -14.709 9.434 9.191 1.00 0.00 N ATOM 0 H GLN A 57 -9.944 10.726 6.552 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.160 12.687 6.433 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.028 11.064 8.749 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.251 12.308 8.917 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.774 11.013 7.443 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.551 9.770 7.270 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -15.280 9.574 8.358 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.106 8.974 10.010 1.00 0.00 H new ATOM 858 N GLY A 58 -10.905 14.461 7.877 1.00 0.00 N ATOM 859 CA GLY A 58 -10.078 15.582 8.280 1.00 0.00 C ATOM 860 C GLY A 58 -9.934 16.620 7.185 1.00 0.00 C ATOM 861 O GLY A 58 -9.155 17.564 7.313 1.00 0.00 O ATOM 0 H GLY A 58 -11.906 14.596 8.017 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.511 16.049 9.165 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.090 15.218 8.563 1.00 0.00 H new ATOM 865 N LEU A 59 -10.685 16.443 6.103 1.00 0.00 N ATOM 866 CA LEU A 59 -10.637 17.372 4.979 1.00 0.00 C ATOM 867 C LEU A 59 -11.505 18.597 5.246 1.00 0.00 C ATOM 868 O LEU A 59 -12.504 18.535 5.963 1.00 0.00 O ATOM 869 CB LEU A 59 -11.097 16.676 3.697 1.00 0.00 C ATOM 870 CG LEU A 59 -10.061 15.788 3.005 1.00 0.00 C ATOM 871 CD1 LEU A 59 -10.514 15.438 1.596 1.00 0.00 C ATOM 872 CD2 LEU A 59 -8.704 16.477 2.976 1.00 0.00 C ATOM 0 H LEU A 59 -11.334 15.666 5.980 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.605 17.702 4.856 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.970 16.066 3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.422 17.439 2.990 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.965 14.863 3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.765 14.806 1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.463 14.904 1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.639 16.353 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.979 15.832 2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.785 17.417 2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.375 16.676 3.996 1.00 0.00 H new ATOM 884 N PRO A 60 -11.120 19.737 4.654 1.00 0.00 N ATOM 885 CA PRO A 60 -11.852 20.996 4.810 1.00 0.00 C ATOM 886 C PRO A 60 -13.204 20.973 4.106 1.00 0.00 C ATOM 887 O PRO A 60 -13.577 19.974 3.494 1.00 0.00 O ATOM 888 CB PRO A 60 -10.927 22.027 4.158 1.00 0.00 C ATOM 889 CG PRO A 60 -10.121 21.247 3.177 1.00 0.00 C ATOM 890 CD PRO A 60 -9.940 19.883 3.784 1.00 0.00 C ATOM 0 HA PRO A 60 -12.080 21.207 5.855 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.497 22.814 3.665 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.290 22.511 4.898 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.631 21.182 2.216 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.158 21.724 2.995 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.905 19.105 3.021 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.012 19.816 4.351 1.00 0.00 H new ATOM 898 N GLU A 61 -13.934 22.081 4.198 1.00 0.00 N ATOM 899 CA GLU A 61 -15.244 22.187 3.569 1.00 0.00 C ATOM 900 C GLU A 61 -15.111 22.455 2.073 1.00 0.00 C ATOM 901 O GLU A 61 -14.062 22.889 1.601 1.00 0.00 O ATOM 902 CB GLU A 61 -16.063 23.300 4.227 1.00 0.00 C ATOM 903 CG GLU A 61 -15.896 24.654 3.560 1.00 0.00 C ATOM 904 CD GLU A 61 -16.182 25.808 4.501 1.00 0.00 C ATOM 905 OE1 GLU A 61 -17.333 25.917 4.973 1.00 0.00 O ATOM 906 OE2 GLU A 61 -15.255 26.601 4.764 1.00 0.00 O ATOM 0 H GLU A 61 -13.639 22.917 4.702 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.760 21.237 3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.117 23.023 4.209 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.773 23.382 5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.879 24.744 3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.564 24.716 2.701 1.00 0.00 H new ATOM 913 N GLY A 62 -16.184 22.192 1.333 1.00 0.00 N ATOM 914 CA GLY A 62 -16.166 22.410 -0.102 1.00 0.00 C ATOM 915 C GLY A 62 -14.957 21.784 -0.769 1.00 0.00 C ATOM 916 O GLY A 62 -14.541 22.212 -1.845 1.00 0.00 O ATOM 0 H GLY A 62 -17.065 21.832 1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -17.074 21.996 -0.541 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.174 23.481 -0.304 1.00 0.00 H new ATOM 920 N VAL A 63 -14.391 20.766 -0.128 1.00 0.00 N ATOM 921 CA VAL A 63 -13.222 20.080 -0.666 1.00 0.00 C ATOM 922 C VAL A 63 -13.544 18.628 -1.003 1.00 0.00 C ATOM 923 O VAL A 63 -14.617 18.126 -0.669 1.00 0.00 O ATOM 924 CB VAL A 63 -12.045 20.116 0.327 1.00 0.00 C ATOM 925 CG1 VAL A 63 -12.230 19.069 1.414 1.00 0.00 C ATOM 926 CG2 VAL A 63 -10.726 19.909 -0.404 1.00 0.00 C ATOM 0 H VAL A 63 -14.723 20.398 0.764 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.936 20.607 -1.577 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.023 21.097 0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.389 19.110 2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.155 19.266 1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.279 18.079 0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.905 19.937 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.736 18.942 -0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.591 20.700 -1.142 1.00 0.00 H new ATOM 936 N ALA A 64 -12.607 17.959 -1.666 1.00 0.00 N ATOM 937 CA ALA A 64 -12.790 16.564 -2.047 1.00 0.00 C ATOM 938 C ALA A 64 -11.447 15.858 -2.206 1.00 0.00 C ATOM 939 O ALA A 64 -10.621 16.252 -3.028 1.00 0.00 O ATOM 940 CB ALA A 64 -13.594 16.469 -3.335 1.00 0.00 C ATOM 0 H ALA A 64 -11.713 18.360 -1.950 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.342 16.065 -1.250 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.723 15.421 -3.607 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.571 16.929 -3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -13.065 16.989 -4.134 1.00 0.00 H new ATOM 946 N PHE A 65 -11.237 14.813 -1.413 1.00 0.00 N ATOM 947 CA PHE A 65 -9.993 14.052 -1.464 1.00 0.00 C ATOM 948 C PHE A 65 -9.456 13.984 -2.891 1.00 0.00 C ATOM 949 O PHE A 65 -10.130 13.495 -3.798 1.00 0.00 O ATOM 950 CB PHE A 65 -10.212 12.638 -0.922 1.00 0.00 C ATOM 951 CG PHE A 65 -9.008 11.750 -1.060 1.00 0.00 C ATOM 952 CD1 PHE A 65 -7.927 11.890 -0.205 1.00 0.00 C ATOM 953 CD2 PHE A 65 -8.959 10.777 -2.044 1.00 0.00 C ATOM 954 CE1 PHE A 65 -6.818 11.074 -0.330 1.00 0.00 C ATOM 955 CE2 PHE A 65 -7.852 9.959 -2.175 1.00 0.00 C ATOM 956 CZ PHE A 65 -6.781 10.106 -1.315 1.00 0.00 C ATOM 0 H PHE A 65 -11.911 14.473 -0.727 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.258 14.562 -0.841 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.489 12.700 0.130 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.052 12.182 -1.447 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.951 12.645 0.567 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.795 10.656 -2.717 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.981 11.193 0.342 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.825 9.206 -2.949 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.917 9.466 -1.412 1.00 0.00 H new ATOM 966 N LYS A 66 -8.238 14.480 -3.082 1.00 0.00 N ATOM 967 CA LYS A 66 -7.608 14.476 -4.398 1.00 0.00 C ATOM 968 C LYS A 66 -6.119 14.788 -4.289 1.00 0.00 C ATOM 969 O LYS A 66 -5.602 15.019 -3.195 1.00 0.00 O ATOM 970 CB LYS A 66 -8.288 15.497 -5.314 1.00 0.00 C ATOM 971 CG LYS A 66 -8.162 16.930 -4.827 1.00 0.00 C ATOM 972 CD LYS A 66 -8.674 17.917 -5.863 1.00 0.00 C ATOM 973 CE LYS A 66 -10.193 17.996 -5.855 1.00 0.00 C ATOM 974 NZ LYS A 66 -10.691 19.035 -4.913 1.00 0.00 N ATOM 0 H LYS A 66 -7.667 14.890 -2.343 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.722 13.480 -4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.856 15.422 -6.312 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.344 15.244 -5.404 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.722 17.051 -3.900 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.118 17.148 -4.600 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.256 18.904 -5.664 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.329 17.618 -6.853 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.550 18.217 -6.861 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.605 17.026 -5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.708 19.188 -5.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.536 18.719 -3.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.178 19.925 -5.075 1.00 0.00 H new ATOM 988 N HIS A 67 -5.435 14.793 -5.428 1.00 0.00 N ATOM 989 CA HIS A 67 -4.005 15.079 -5.460 1.00 0.00 C ATOM 990 C HIS A 67 -3.692 16.371 -4.713 1.00 0.00 C ATOM 991 O HIS A 67 -4.430 17.355 -4.788 1.00 0.00 O ATOM 992 CB HIS A 67 -3.516 15.179 -6.905 1.00 0.00 C ATOM 993 CG HIS A 67 -2.092 14.752 -7.087 1.00 0.00 C ATOM 994 ND1 HIS A 67 -1.024 15.615 -6.959 1.00 0.00 N ATOM 995 CD2 HIS A 67 -1.562 13.543 -7.386 1.00 0.00 C ATOM 996 CE1 HIS A 67 0.100 14.956 -7.174 1.00 0.00 C ATOM 997 NE2 HIS A 67 -0.198 13.696 -7.434 1.00 0.00 N ATOM 0 H HIS A 67 -5.847 14.602 -6.341 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.484 14.260 -4.964 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.155 14.564 -7.539 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.624 16.209 -7.246 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.110 12.628 -7.555 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.094 15.376 -7.143 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.475 12.957 -7.637 1.00 0.00 H new ATOM 1005 N PRO A 68 -2.572 16.373 -3.974 1.00 0.00 N ATOM 1006 CA PRO A 68 -2.137 17.538 -3.199 1.00 0.00 C ATOM 1007 C PRO A 68 -1.668 18.684 -4.089 1.00 0.00 C ATOM 1008 O PRO A 68 -1.217 19.719 -3.599 1.00 0.00 O ATOM 1009 CB PRO A 68 -0.972 16.996 -2.367 1.00 0.00 C ATOM 1010 CG PRO A 68 -0.453 15.841 -3.151 1.00 0.00 C ATOM 1011 CD PRO A 68 -1.645 15.236 -3.839 1.00 0.00 C ATOM 0 HA PRO A 68 -2.947 17.956 -2.601 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.202 17.754 -2.222 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.304 16.685 -1.376 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.293 16.166 -3.877 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.032 15.114 -2.500 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.379 14.816 -4.809 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.082 14.429 -3.251 1.00 0.00 H new ATOM 1019 N GLU A 69 -1.777 18.492 -5.400 1.00 0.00 N ATOM 1020 CA GLU A 69 -1.363 19.510 -6.358 1.00 0.00 C ATOM 1021 C GLU A 69 -2.561 20.320 -6.844 1.00 0.00 C ATOM 1022 O GLU A 69 -2.414 21.450 -7.308 1.00 0.00 O ATOM 1023 CB GLU A 69 -0.654 18.863 -7.550 1.00 0.00 C ATOM 1024 CG GLU A 69 -1.606 18.257 -8.568 1.00 0.00 C ATOM 1025 CD GLU A 69 -0.884 17.470 -9.644 1.00 0.00 C ATOM 1026 OE1 GLU A 69 -0.061 16.600 -9.291 1.00 0.00 O ATOM 1027 OE2 GLU A 69 -1.142 17.724 -10.839 1.00 0.00 O ATOM 0 H GLU A 69 -2.148 17.641 -5.823 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.670 20.185 -5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.035 19.612 -8.044 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.017 18.086 -7.185 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.311 17.603 -8.056 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.189 19.052 -9.033 1.00 0.00 H new ATOM 1034 N ASN A 70 -3.749 19.734 -6.732 1.00 0.00 N ATOM 1035 CA ASN A 70 -4.974 20.399 -7.161 1.00 0.00 C ATOM 1036 C ASN A 70 -5.437 21.411 -6.116 1.00 0.00 C ATOM 1037 O ASN A 70 -6.274 22.270 -6.396 1.00 0.00 O ATOM 1038 CB ASN A 70 -6.077 19.370 -7.414 1.00 0.00 C ATOM 1039 CG ASN A 70 -6.021 18.797 -8.816 1.00 0.00 C ATOM 1040 OD1 ASN A 70 -6.488 19.417 -9.772 1.00 0.00 O ATOM 1041 ND2 ASN A 70 -5.449 17.606 -8.946 1.00 0.00 N ATOM 0 H ASN A 70 -3.889 18.800 -6.348 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.764 20.931 -8.089 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.988 18.560 -6.690 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.049 19.836 -7.253 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.383 17.169 -9.865 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.075 17.128 -8.126 1.00 0.00 H new ATOM 1048 N TYR A 71 -4.886 21.304 -4.912 1.00 0.00 N ATOM 1049 CA TYR A 71 -5.243 22.207 -3.825 1.00 0.00 C ATOM 1050 C TYR A 71 -4.447 23.506 -3.912 1.00 0.00 C ATOM 1051 O TYR A 71 -3.223 23.489 -4.035 1.00 0.00 O ATOM 1052 CB TYR A 71 -4.998 21.535 -2.473 1.00 0.00 C ATOM 1053 CG TYR A 71 -5.767 20.246 -2.289 1.00 0.00 C ATOM 1054 CD1 TYR A 71 -7.058 20.108 -2.785 1.00 0.00 C ATOM 1055 CD2 TYR A 71 -5.204 19.167 -1.620 1.00 0.00 C ATOM 1056 CE1 TYR A 71 -7.765 18.933 -2.618 1.00 0.00 C ATOM 1057 CE2 TYR A 71 -5.903 17.987 -1.450 1.00 0.00 C ATOM 1058 CZ TYR A 71 -7.183 17.876 -1.951 1.00 0.00 C ATOM 1059 OH TYR A 71 -7.883 16.703 -1.783 1.00 0.00 O ATOM 0 H TYR A 71 -4.190 20.601 -4.664 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.303 22.444 -3.918 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.933 21.331 -2.366 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.271 22.228 -1.677 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.516 20.933 -3.310 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.202 19.252 -1.226 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -8.768 18.843 -3.008 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.450 17.157 -0.928 1.00 0.00 H new ATOM 0 HH TYR A 71 -8.844 16.884 -1.845 1.00 0.00 H new ATOM 1069 N ASP A 72 -5.152 24.630 -3.846 1.00 0.00 N ATOM 1070 CA ASP A 72 -4.513 25.938 -3.915 1.00 0.00 C ATOM 1071 C ASP A 72 -3.545 26.133 -2.751 1.00 0.00 C ATOM 1072 O ASP A 72 -3.805 25.687 -1.633 1.00 0.00 O ATOM 1073 CB ASP A 72 -5.568 27.046 -3.908 1.00 0.00 C ATOM 1074 CG ASP A 72 -6.817 26.661 -4.676 1.00 0.00 C ATOM 1075 OD1 ASP A 72 -6.703 26.374 -5.887 1.00 0.00 O ATOM 1076 OD2 ASP A 72 -7.907 26.647 -4.067 1.00 0.00 O ATOM 0 H ASP A 72 -6.166 24.661 -3.745 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.949 25.990 -4.846 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.836 27.282 -2.878 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.143 27.951 -4.342 1.00 0.00 H new ATOM 1081 N LEU A 73 -2.430 26.800 -3.022 1.00 0.00 N ATOM 1082 CA LEU A 73 -1.422 27.053 -1.998 1.00 0.00 C ATOM 1083 C LEU A 73 -2.072 27.279 -0.638 1.00 0.00 C ATOM 1084 O LEU A 73 -1.634 26.726 0.370 1.00 0.00 O ATOM 1085 CB LEU A 73 -0.573 28.268 -2.379 1.00 0.00 C ATOM 1086 CG LEU A 73 0.504 28.676 -1.373 1.00 0.00 C ATOM 1087 CD1 LEU A 73 1.183 27.446 -0.791 1.00 0.00 C ATOM 1088 CD2 LEU A 73 1.526 29.593 -2.030 1.00 0.00 C ATOM 0 H LEU A 73 -2.200 27.176 -3.942 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.779 26.175 -1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.090 28.064 -3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.239 29.117 -2.533 1.00 0.00 H new ATOM 0 HG LEU A 73 0.027 29.221 -0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.946 27.755 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.442 26.827 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.647 26.873 -1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.285 29.874 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.999 29.073 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.027 30.490 -2.398 1.00 0.00 H new ATOM 1100 N ALA A 74 -3.122 28.093 -0.618 1.00 0.00 N ATOM 1101 CA ALA A 74 -3.837 28.388 0.618 1.00 0.00 C ATOM 1102 C ALA A 74 -4.410 27.118 1.237 1.00 0.00 C ATOM 1103 O ALA A 74 -4.246 26.868 2.432 1.00 0.00 O ATOM 1104 CB ALA A 74 -4.944 29.399 0.359 1.00 0.00 C ATOM 0 H ALA A 74 -3.497 28.560 -1.444 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.128 28.817 1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.469 29.610 1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.511 30.321 -0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.646 28.992 -0.369 1.00 0.00 H new ATOM 1110 N THR A 75 -5.085 26.319 0.418 1.00 0.00 N ATOM 1111 CA THR A 75 -5.686 25.075 0.886 1.00 0.00 C ATOM 1112 C THR A 75 -4.627 24.127 1.436 1.00 0.00 C ATOM 1113 O THR A 75 -4.747 23.628 2.555 1.00 0.00 O ATOM 1114 CB THR A 75 -6.459 24.366 -0.241 1.00 0.00 C ATOM 1115 OG1 THR A 75 -7.490 25.223 -0.745 1.00 0.00 O ATOM 1116 CG2 THR A 75 -7.072 23.066 0.258 1.00 0.00 C ATOM 0 H THR A 75 -5.230 26.510 -0.573 1.00 0.00 H new ATOM 0 HA THR A 75 -6.382 25.339 1.682 1.00 0.00 H new ATOM 0 HB THR A 75 -5.757 24.135 -1.042 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.975 24.764 -1.462 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.613 22.583 -0.556 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.282 22.404 0.612 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.761 23.279 1.076 1.00 0.00 H new ATOM 1124 N LEU A 76 -3.589 23.882 0.642 1.00 0.00 N ATOM 1125 CA LEU A 76 -2.508 22.993 1.050 1.00 0.00 C ATOM 1126 C LEU A 76 -2.108 23.250 2.500 1.00 0.00 C ATOM 1127 O LEU A 76 -2.136 22.345 3.333 1.00 0.00 O ATOM 1128 CB LEU A 76 -1.296 23.178 0.136 1.00 0.00 C ATOM 1129 CG LEU A 76 -1.348 22.441 -1.204 1.00 0.00 C ATOM 1130 CD1 LEU A 76 -0.269 22.963 -2.141 1.00 0.00 C ATOM 1131 CD2 LEU A 76 -1.195 20.942 -0.994 1.00 0.00 C ATOM 0 H LEU A 76 -3.474 24.287 -0.287 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.865 21.967 0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.174 24.243 -0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.407 22.850 0.674 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.320 22.626 -1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.320 22.428 -3.089 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.423 24.028 -2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.711 22.808 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.234 20.434 -1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.238 20.738 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.003 20.579 -0.359 1.00 0.00 H new ATOM 1143 N LYS A 77 -1.739 24.492 2.795 1.00 0.00 N ATOM 1144 CA LYS A 77 -1.338 24.872 4.144 1.00 0.00 C ATOM 1145 C LYS A 77 -2.323 24.334 5.177 1.00 0.00 C ATOM 1146 O LYS A 77 -1.923 23.793 6.208 1.00 0.00 O ATOM 1147 CB LYS A 77 -1.241 26.394 4.261 1.00 0.00 C ATOM 1148 CG LYS A 77 -0.226 27.013 3.316 1.00 0.00 C ATOM 1149 CD LYS A 77 -0.219 28.529 3.419 1.00 0.00 C ATOM 1150 CE LYS A 77 1.132 29.109 3.032 1.00 0.00 C ATOM 1151 NZ LYS A 77 1.278 30.522 3.477 1.00 0.00 N ATOM 0 H LYS A 77 -1.709 25.253 2.117 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.358 24.436 4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.221 26.828 4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.977 26.655 5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.768 26.627 3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.454 26.718 2.292 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.992 28.942 2.771 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.465 28.826 4.438 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.926 28.506 3.473 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.254 29.055 1.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.212 30.880 3.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.536 31.103 3.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.187 30.571 4.512 1.00 0.00 H new ATOM 1165 N TRP A 78 -3.612 24.485 4.893 1.00 0.00 N ATOM 1166 CA TRP A 78 -4.654 24.012 5.796 1.00 0.00 C ATOM 1167 C TRP A 78 -4.466 22.533 6.119 1.00 0.00 C ATOM 1168 O TRP A 78 -4.335 22.155 7.284 1.00 0.00 O ATOM 1169 CB TRP A 78 -6.035 24.241 5.179 1.00 0.00 C ATOM 1170 CG TRP A 78 -7.160 24.019 6.144 1.00 0.00 C ATOM 1171 CD1 TRP A 78 -7.794 24.966 6.897 1.00 0.00 C ATOM 1172 CD2 TRP A 78 -7.785 22.770 6.460 1.00 0.00 C ATOM 1173 NE1 TRP A 78 -8.773 24.382 7.662 1.00 0.00 N ATOM 1174 CE2 TRP A 78 -8.790 23.035 7.412 1.00 0.00 C ATOM 1175 CE3 TRP A 78 -7.595 21.454 6.030 1.00 0.00 C ATOM 1176 CZ2 TRP A 78 -9.598 22.032 7.939 1.00 0.00 C ATOM 1177 CZ3 TRP A 78 -8.399 20.459 6.555 1.00 0.00 C ATOM 1178 CH2 TRP A 78 -9.390 20.753 7.501 1.00 0.00 C ATOM 0 H TRP A 78 -3.960 24.931 4.044 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.580 24.579 6.724 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -6.090 25.260 4.796 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.160 23.573 4.327 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -7.559 26.020 6.891 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -9.388 24.872 8.312 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.834 21.218 5.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.363 22.256 8.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.261 19.438 6.230 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -10.002 19.954 7.892 1.00 0.00 H new ATOM 1189 N ILE A 79 -4.454 21.703 5.082 1.00 0.00 N ATOM 1190 CA ILE A 79 -4.280 20.266 5.256 1.00 0.00 C ATOM 1191 C ILE A 79 -3.174 19.964 6.261 1.00 0.00 C ATOM 1192 O ILE A 79 -3.389 19.255 7.244 1.00 0.00 O ATOM 1193 CB ILE A 79 -3.950 19.573 3.922 1.00 0.00 C ATOM 1194 CG1 ILE A 79 -5.145 19.656 2.969 1.00 0.00 C ATOM 1195 CG2 ILE A 79 -3.556 18.123 4.161 1.00 0.00 C ATOM 1196 CD1 ILE A 79 -4.878 19.048 1.611 1.00 0.00 C ATOM 0 H ILE A 79 -4.563 22.001 4.112 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.226 19.877 5.633 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.106 20.087 3.462 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.997 19.151 3.423 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.425 20.702 2.841 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.326 17.647 3.208 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.679 18.086 4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.381 17.596 4.640 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.768 19.143 0.989 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.046 19.569 1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.627 17.994 1.727 1.00 0.00 H new ATOM 1208 N LEU A 80 -1.989 20.509 6.008 1.00 0.00 N ATOM 1209 CA LEU A 80 -0.847 20.300 6.891 1.00 0.00 C ATOM 1210 C LEU A 80 -1.150 20.795 8.302 1.00 0.00 C ATOM 1211 O LEU A 80 -0.712 20.203 9.285 1.00 0.00 O ATOM 1212 CB LEU A 80 0.387 21.017 6.340 1.00 0.00 C ATOM 1213 CG LEU A 80 1.161 20.279 5.247 1.00 0.00 C ATOM 1214 CD1 LEU A 80 2.146 21.217 4.565 1.00 0.00 C ATOM 1215 CD2 LEU A 80 1.884 19.073 5.827 1.00 0.00 C ATOM 0 H LEU A 80 -1.794 21.099 5.199 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.647 19.230 6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.075 21.984 5.946 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.067 21.215 7.168 1.00 0.00 H new ATOM 0 HG LEU A 80 0.450 19.926 4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.688 20.675 3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.604 22.049 4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.853 21.600 5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.429 18.560 5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.584 19.403 6.595 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.157 18.391 6.268 1.00 0.00 H new ATOM 1227 N GLU A 81 -1.906 21.886 8.389 1.00 0.00 N ATOM 1228 CA GLU A 81 -2.269 22.461 9.680 1.00 0.00 C ATOM 1229 C GLU A 81 -3.136 21.494 10.481 1.00 0.00 C ATOM 1230 O GLU A 81 -2.837 21.183 11.632 1.00 0.00 O ATOM 1231 CB GLU A 81 -3.010 23.785 9.483 1.00 0.00 C ATOM 1232 CG GLU A 81 -2.104 25.003 9.533 1.00 0.00 C ATOM 1233 CD GLU A 81 -2.879 26.305 9.601 1.00 0.00 C ATOM 1234 OE1 GLU A 81 -3.703 26.551 8.695 1.00 0.00 O ATOM 1235 OE2 GLU A 81 -2.662 27.076 10.559 1.00 0.00 O ATOM 0 H GLU A 81 -2.278 22.388 7.583 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.351 22.646 10.238 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.524 23.764 8.522 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.776 23.881 10.252 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.449 24.929 10.401 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.464 25.011 8.651 1.00 0.00 H new ATOM 1242 N ASN A 82 -4.214 21.023 9.861 1.00 0.00 N ATOM 1243 CA ASN A 82 -5.125 20.092 10.516 1.00 0.00 C ATOM 1244 C ASN A 82 -4.882 18.664 10.037 1.00 0.00 C ATOM 1245 O ASN A 82 -5.812 17.863 9.938 1.00 0.00 O ATOM 1246 CB ASN A 82 -6.577 20.492 10.244 1.00 0.00 C ATOM 1247 CG ASN A 82 -6.921 21.849 10.828 1.00 0.00 C ATOM 1248 OD1 ASN A 82 -7.874 21.984 11.596 1.00 0.00 O ATOM 1249 ND2 ASN A 82 -6.146 22.864 10.462 1.00 0.00 N ATOM 0 H ASN A 82 -4.477 21.271 8.907 1.00 0.00 H new ATOM 0 HA ASN A 82 -4.937 20.133 11.589 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.752 20.507 9.168 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.244 19.739 10.664 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.330 23.801 10.820 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.367 22.706 9.823 1.00 0.00 H new ATOM 1256 N LYS A 83 -3.625 18.351 9.742 1.00 0.00 N ATOM 1257 CA LYS A 83 -3.257 17.019 9.276 1.00 0.00 C ATOM 1258 C LYS A 83 -3.269 16.017 10.426 1.00 0.00 C ATOM 1259 O LYS A 83 -3.775 14.904 10.287 1.00 0.00 O ATOM 1260 CB LYS A 83 -1.872 17.049 8.626 1.00 0.00 C ATOM 1261 CG LYS A 83 -0.734 17.173 9.625 1.00 0.00 C ATOM 1262 CD LYS A 83 0.599 17.387 8.928 1.00 0.00 C ATOM 1263 CE LYS A 83 1.748 17.431 9.924 1.00 0.00 C ATOM 1264 NZ LYS A 83 3.056 17.669 9.253 1.00 0.00 N ATOM 0 H LYS A 83 -2.843 19.002 9.817 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.993 16.704 8.536 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.734 16.139 8.042 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.825 17.885 7.929 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.930 18.006 10.300 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.685 16.272 10.236 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.769 16.584 8.210 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.570 18.319 8.363 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.566 18.220 10.654 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.788 16.491 10.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.813 17.692 9.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.243 16.903 8.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.027 18.578 8.749 1.00 0.00 H new ATOM 1278 N ALA A 84 -2.709 16.420 11.562 1.00 0.00 N ATOM 1279 CA ALA A 84 -2.660 15.559 12.737 1.00 0.00 C ATOM 1280 C ALA A 84 -4.013 14.907 12.998 1.00 0.00 C ATOM 1281 O ALA A 84 -4.099 13.873 13.657 1.00 0.00 O ATOM 1282 CB ALA A 84 -2.211 16.352 13.954 1.00 0.00 C ATOM 0 H ALA A 84 -2.283 17.337 11.693 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.936 14.767 12.546 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.179 15.696 14.824 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.218 16.764 13.774 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.913 17.165 14.138 1.00 0.00 H new ATOM 1288 N GLY A 85 -5.071 15.520 12.475 1.00 0.00 N ATOM 1289 CA GLY A 85 -6.408 14.986 12.663 1.00 0.00 C ATOM 1290 C GLY A 85 -6.853 14.118 11.504 1.00 0.00 C ATOM 1291 O GLY A 85 -7.670 13.213 11.674 1.00 0.00 O ATOM 0 H GLY A 85 -5.026 16.377 11.924 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.437 14.402 13.583 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.111 15.810 12.787 1.00 0.00 H new ATOM 1295 N ILE A 86 -6.318 14.394 10.319 1.00 0.00 N ATOM 1296 CA ILE A 86 -6.666 13.633 9.127 1.00 0.00 C ATOM 1297 C ILE A 86 -6.464 12.138 9.351 1.00 0.00 C ATOM 1298 O ILE A 86 -5.354 11.688 9.639 1.00 0.00 O ATOM 1299 CB ILE A 86 -5.830 14.076 7.911 1.00 0.00 C ATOM 1300 CG1 ILE A 86 -6.404 15.361 7.312 1.00 0.00 C ATOM 1301 CG2 ILE A 86 -5.789 12.971 6.865 1.00 0.00 C ATOM 1302 CD1 ILE A 86 -5.583 15.914 6.168 1.00 0.00 C ATOM 0 H ILE A 86 -5.641 15.140 10.160 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.719 13.829 8.924 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.811 14.274 8.242 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.418 15.167 6.961 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.477 16.116 8.095 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.195 13.299 6.012 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.340 12.077 7.298 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.803 12.745 6.535 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.049 16.825 5.793 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.576 16.140 6.519 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.531 15.176 5.367 1.00 0.00 H new ATOM 1314 N SER A 87 -7.542 11.374 9.215 1.00 0.00 N ATOM 1315 CA SER A 87 -7.484 9.928 9.404 1.00 0.00 C ATOM 1316 C SER A 87 -7.854 9.197 8.118 1.00 0.00 C ATOM 1317 O SER A 87 -8.406 9.788 7.191 1.00 0.00 O ATOM 1318 CB SER A 87 -8.422 9.503 10.536 1.00 0.00 C ATOM 1319 OG SER A 87 -9.707 9.179 10.037 1.00 0.00 O ATOM 0 H SER A 87 -8.467 11.731 8.975 1.00 0.00 H new ATOM 0 HA SER A 87 -6.461 9.661 9.670 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.003 8.642 11.056 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.504 10.308 11.266 1.00 0.00 H new ATOM 0 HG SER A 87 -10.383 9.715 10.502 1.00 0.00 H new ATOM 1325 N PHE A 88 -7.548 7.904 8.071 1.00 0.00 N ATOM 1326 CA PHE A 88 -7.847 7.090 6.899 1.00 0.00 C ATOM 1327 C PHE A 88 -8.504 5.774 7.305 1.00 0.00 C ATOM 1328 O PHE A 88 -7.943 5.002 8.084 1.00 0.00 O ATOM 1329 CB PHE A 88 -6.569 6.812 6.105 1.00 0.00 C ATOM 1330 CG PHE A 88 -6.278 7.846 5.056 1.00 0.00 C ATOM 1331 CD1 PHE A 88 -5.987 9.153 5.413 1.00 0.00 C ATOM 1332 CD2 PHE A 88 -6.295 7.511 3.711 1.00 0.00 C ATOM 1333 CE1 PHE A 88 -5.718 10.106 4.450 1.00 0.00 C ATOM 1334 CE2 PHE A 88 -6.027 8.461 2.743 1.00 0.00 C ATOM 1335 CZ PHE A 88 -5.739 9.760 3.113 1.00 0.00 C ATOM 0 H PHE A 88 -7.093 7.398 8.831 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.543 7.645 6.270 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.727 6.759 6.795 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.652 5.836 5.628 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -5.970 9.430 6.457 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.520 6.497 3.416 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.491 11.121 4.742 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.043 8.188 1.698 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.531 10.504 2.358 1.00 0.00 H new ATOM 1345 N ILE A 89 -9.695 5.525 6.770 1.00 0.00 N ATOM 1346 CA ILE A 89 -10.427 4.302 7.076 1.00 0.00 C ATOM 1347 C ILE A 89 -10.441 3.355 5.881 1.00 0.00 C ATOM 1348 O ILE A 89 -11.070 3.637 4.860 1.00 0.00 O ATOM 1349 CB ILE A 89 -11.879 4.606 7.492 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -11.906 5.675 8.586 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -12.570 3.337 7.967 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -12.020 7.086 8.050 1.00 0.00 C ATOM 0 H ILE A 89 -10.173 6.153 6.124 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.910 3.824 7.908 1.00 0.00 H new ATOM 0 HB ILE A 89 -12.418 4.987 6.625 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.746 5.479 9.253 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.998 5.594 9.184 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.595 3.568 8.258 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.578 2.603 7.161 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.033 2.929 8.824 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -12.033 7.791 8.881 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -11.167 7.301 7.406 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -12.942 7.184 7.476 1.00 0.00 H new ATOM 1364 N ILE A 90 -9.744 2.233 6.014 1.00 0.00 N ATOM 1365 CA ILE A 90 -9.677 1.242 4.947 1.00 0.00 C ATOM 1366 C ILE A 90 -10.920 0.359 4.939 1.00 0.00 C ATOM 1367 O ILE A 90 -11.148 -0.420 5.866 1.00 0.00 O ATOM 1368 CB ILE A 90 -8.429 0.352 5.082 1.00 0.00 C ATOM 1369 CG1 ILE A 90 -7.424 0.673 3.973 1.00 0.00 C ATOM 1370 CG2 ILE A 90 -8.819 -1.117 5.041 1.00 0.00 C ATOM 1371 CD1 ILE A 90 -6.429 1.747 4.352 1.00 0.00 C ATOM 0 H ILE A 90 -9.216 1.986 6.851 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.619 1.793 4.008 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.958 0.556 6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.883 -0.236 3.710 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.967 0.990 3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.925 -1.734 5.138 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.501 -1.335 5.863 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.311 -1.337 4.093 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.748 1.923 3.519 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.961 2.669 4.587 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.860 1.424 5.224 1.00 0.00 H new ATOM 1383 N LYS A 91 -11.721 0.482 3.886 1.00 0.00 N ATOM 1384 CA LYS A 91 -12.940 -0.307 3.754 1.00 0.00 C ATOM 1385 C LYS A 91 -12.678 -1.584 2.963 1.00 0.00 C ATOM 1386 O LYS A 91 -13.381 -2.581 3.125 1.00 0.00 O ATOM 1387 CB LYS A 91 -14.033 0.516 3.069 1.00 0.00 C ATOM 1388 CG LYS A 91 -14.181 1.919 3.630 1.00 0.00 C ATOM 1389 CD LYS A 91 -15.220 1.971 4.738 1.00 0.00 C ATOM 1390 CE LYS A 91 -15.522 3.402 5.153 1.00 0.00 C ATOM 1391 NZ LYS A 91 -16.782 3.497 5.941 1.00 0.00 N ATOM 0 H LYS A 91 -11.547 1.122 3.111 1.00 0.00 H new ATOM 0 HA LYS A 91 -13.275 -0.583 4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.813 0.581 2.004 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -14.984 -0.007 3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.220 2.261 4.015 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.466 2.603 2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.137 1.488 4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.862 1.409 5.601 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -14.693 3.791 5.745 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -15.601 4.029 4.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -16.953 4.488 6.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -17.577 3.150 5.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -16.698 2.919 6.802 1.00 0.00 H new ATOM 1405 N ARG A 92 -11.662 -1.546 2.107 1.00 0.00 N ATOM 1406 CA ARG A 92 -11.308 -2.701 1.291 1.00 0.00 C ATOM 1407 C ARG A 92 -10.087 -2.401 0.426 1.00 0.00 C ATOM 1408 O ARG A 92 -9.936 -1.309 -0.123 1.00 0.00 O ATOM 1409 CB ARG A 92 -12.486 -3.107 0.405 1.00 0.00 C ATOM 1410 CG ARG A 92 -12.068 -3.688 -0.936 1.00 0.00 C ATOM 1411 CD ARG A 92 -11.933 -2.606 -1.996 1.00 0.00 C ATOM 1412 NE ARG A 92 -13.174 -2.413 -2.741 1.00 0.00 N ATOM 1413 CZ ARG A 92 -13.521 -3.146 -3.793 1.00 0.00 C ATOM 1414 NH1 ARG A 92 -12.726 -4.118 -4.219 1.00 0.00 N ATOM 1415 NH2 ARG A 92 -14.666 -2.910 -4.419 1.00 0.00 N ATOM 0 H ARG A 92 -11.070 -0.728 1.961 1.00 0.00 H new ATOM 0 HA ARG A 92 -11.065 -3.526 1.960 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.093 -3.840 0.936 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.117 -2.235 0.233 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.118 -4.212 -0.826 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.803 -4.425 -1.259 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.645 -1.668 -1.522 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.133 -2.873 -2.687 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.809 -1.675 -2.437 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.846 -4.304 -3.739 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.995 -4.679 -5.027 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.281 -2.165 -4.093 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.931 -3.474 -5.227 1.00 0.00 H new ATOM 1429 N PRO A 93 -9.192 -3.393 0.302 1.00 0.00 N ATOM 1430 CA PRO A 93 -7.968 -3.259 -0.495 1.00 0.00 C ATOM 1431 C PRO A 93 -8.254 -3.197 -1.991 1.00 0.00 C ATOM 1432 O PRO A 93 -9.180 -3.841 -2.483 1.00 0.00 O ATOM 1433 CB PRO A 93 -7.182 -4.527 -0.152 1.00 0.00 C ATOM 1434 CG PRO A 93 -8.217 -5.515 0.260 1.00 0.00 C ATOM 1435 CD PRO A 93 -9.305 -4.720 0.929 1.00 0.00 C ATOM 0 HA PRO A 93 -7.434 -2.336 -0.270 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.613 -4.884 -1.010 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.467 -4.345 0.650 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -8.604 -6.057 -0.603 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.800 -6.256 0.942 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.287 -5.162 0.761 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.160 -4.668 2.008 1.00 0.00 H new