USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 704 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 MET CE :methyl 167:sc=-0.00687 (180deg=-0.309) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 95:sc= 1.19 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS :FLIP no HD1:sc= -0.639 F(o=-2.5,f=-0.64) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.387 K(o=-0.39,f=-2.7!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN :FLIP amide:sc= -1.02 F(o=-2.1,f=-1) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.926! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -43:sc= 0.447 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.629 K(o=-0.63,f=-4.2!) USER MOD Single : A 75 HIS : no HD1:sc= -2.38 X(o=-2.4,f=-2.9!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -88:sc= -5.57! USER MOD Single : A 92 GLN : amide:sc= -0.0981 X(o=-0.098,f=-0.088) USER MOD Single : A 99 GLN : amide:sc= -0.134 K(o=-0.13,f=-1.4) USER MOD Single : A 102 THR OG1 : rot -66:sc= 0.327 USER MOD ----------------------------------------------------------------- ATOM 91 N MET A 10 -6.718 0.103 5.288 1.00 0.00 N ATOM 92 CA MET A 10 -5.658 0.760 6.033 1.00 0.00 C ATOM 93 C MET A 10 -5.884 2.272 6.091 1.00 0.00 C ATOM 94 O MET A 10 -6.707 2.809 5.351 1.00 0.00 O ATOM 95 CB MET A 10 -4.310 0.470 5.368 1.00 0.00 C ATOM 96 CG MET A 10 -3.655 -0.772 5.975 1.00 0.00 C ATOM 97 SD MET A 10 -1.953 -0.426 6.387 1.00 0.00 S ATOM 98 CE MET A 10 -2.005 -0.673 8.154 1.00 0.00 C ATOM 0 HA MET A 10 -5.662 0.372 7.052 1.00 0.00 H new ATOM 0 HB2 MET A 10 -4.453 0.324 4.297 1.00 0.00 H new ATOM 0 HB3 MET A 10 -3.649 1.329 5.487 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.198 -1.080 6.868 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.705 -1.601 5.269 1.00 0.00 H new ATOM 0 HE1 MET A 10 -0.989 -0.725 8.544 1.00 0.00 H new ATOM 0 HE2 MET A 10 -2.531 0.159 8.622 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.527 -1.604 8.376 1.00 0.00 H new ATOM 108 N SER A 11 -5.139 2.916 6.977 1.00 0.00 N ATOM 109 CA SER A 11 -5.248 4.356 7.141 1.00 0.00 C ATOM 110 C SER A 11 -4.231 4.843 8.175 1.00 0.00 C ATOM 111 O SER A 11 -3.708 4.052 8.957 1.00 0.00 O ATOM 112 CB SER A 11 -6.664 4.757 7.560 1.00 0.00 C ATOM 113 OG SER A 11 -6.949 4.382 8.905 1.00 0.00 O ATOM 0 H SER A 11 -4.457 2.467 7.589 1.00 0.00 H new ATOM 0 HA SER A 11 -5.035 4.827 6.181 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.783 5.835 7.451 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.386 4.288 6.892 1.00 0.00 H new ATOM 0 HG SER A 11 -7.861 4.657 9.135 1.00 0.00 H new ATOM 119 N GLY A 12 -3.981 6.144 8.144 1.00 0.00 N ATOM 120 CA GLY A 12 -3.035 6.747 9.068 1.00 0.00 C ATOM 121 C GLY A 12 -2.036 7.637 8.327 1.00 0.00 C ATOM 122 O GLY A 12 -1.845 7.492 7.121 1.00 0.00 O ATOM 0 H GLY A 12 -4.417 6.797 7.493 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.572 7.337 9.810 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.500 5.966 9.608 1.00 0.00 H new ATOM 126 N TYR A 13 -1.424 8.539 9.081 1.00 0.00 N ATOM 127 CA TYR A 13 -0.448 9.453 8.511 1.00 0.00 C ATOM 128 C TYR A 13 0.831 8.712 8.116 1.00 0.00 C ATOM 129 O TYR A 13 1.442 8.037 8.942 1.00 0.00 O ATOM 130 CB TYR A 13 -0.120 10.461 9.613 1.00 0.00 C ATOM 131 CG TYR A 13 -1.270 11.413 9.949 1.00 0.00 C ATOM 132 CD1 TYR A 13 -1.642 12.390 9.048 1.00 0.00 C ATOM 133 CD2 TYR A 13 -1.936 11.293 11.152 1.00 0.00 C ATOM 134 CE1 TYR A 13 -2.724 13.286 9.364 1.00 0.00 C ATOM 135 CE2 TYR A 13 -3.019 12.189 11.467 1.00 0.00 C ATOM 136 CZ TYR A 13 -3.359 13.141 10.558 1.00 0.00 C ATOM 137 OH TYR A 13 -4.382 13.987 10.856 1.00 0.00 O ATOM 0 H TYR A 13 -1.585 8.656 10.081 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.845 9.929 7.615 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.164 9.918 10.515 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.746 11.048 9.308 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.122 12.482 8.106 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.645 10.528 11.857 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.025 14.056 8.669 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.549 12.106 12.404 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.742 13.766 11.740 1.00 0.00 H new ATOM 147 N LEU A 14 1.199 8.865 6.852 1.00 0.00 N ATOM 148 CA LEU A 14 2.395 8.219 6.337 1.00 0.00 C ATOM 149 C LEU A 14 3.288 9.267 5.671 1.00 0.00 C ATOM 150 O LEU A 14 2.792 10.201 5.041 1.00 0.00 O ATOM 151 CB LEU A 14 2.022 7.055 5.418 1.00 0.00 C ATOM 152 CG LEU A 14 1.039 6.033 5.995 1.00 0.00 C ATOM 153 CD1 LEU A 14 0.132 5.467 4.901 1.00 0.00 C ATOM 154 CD2 LEU A 14 1.779 4.930 6.754 1.00 0.00 C ATOM 0 H LEU A 14 0.690 9.427 6.169 1.00 0.00 H new ATOM 0 HA LEU A 14 2.971 7.779 7.151 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.595 7.464 4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.936 6.532 5.138 1.00 0.00 H new ATOM 0 HG LEU A 14 0.397 6.543 6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.557 4.744 5.337 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.435 6.277 4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.741 4.976 4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.058 4.217 7.154 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.460 4.416 6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.347 5.370 7.574 1.00 0.00 H new ATOM 166 N TYR A 15 4.589 9.078 5.831 1.00 0.00 N ATOM 167 CA TYR A 15 5.556 9.995 5.252 1.00 0.00 C ATOM 168 C TYR A 15 5.830 9.650 3.787 1.00 0.00 C ATOM 169 O TYR A 15 6.411 8.608 3.489 1.00 0.00 O ATOM 170 CB TYR A 15 6.845 9.812 6.056 1.00 0.00 C ATOM 171 CG TYR A 15 7.020 10.823 7.191 1.00 0.00 C ATOM 172 CD1 TYR A 15 6.676 12.145 6.995 1.00 0.00 C ATOM 173 CD2 TYR A 15 7.521 10.413 8.409 1.00 0.00 C ATOM 174 CE1 TYR A 15 6.840 13.097 8.063 1.00 0.00 C ATOM 175 CE2 TYR A 15 7.686 11.365 9.477 1.00 0.00 C ATOM 176 CZ TYR A 15 7.337 12.660 9.251 1.00 0.00 C ATOM 177 OH TYR A 15 7.493 13.560 10.260 1.00 0.00 O ATOM 0 H TYR A 15 4.997 8.303 6.354 1.00 0.00 H new ATOM 0 HA TYR A 15 5.183 11.019 5.287 1.00 0.00 H new ATOM 0 HB2 TYR A 15 6.860 8.806 6.474 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.697 9.889 5.380 1.00 0.00 H new ATOM 0 HD1 TYR A 15 6.284 12.465 6.041 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.790 9.378 8.562 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.574 14.134 7.924 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.078 11.058 10.435 1.00 0.00 H new ATOM 0 HH TYR A 15 7.856 13.107 11.049 1.00 0.00 H new ATOM 187 N ARG A 16 5.399 10.546 2.911 1.00 0.00 N ATOM 188 CA ARG A 16 5.590 10.350 1.484 1.00 0.00 C ATOM 189 C ARG A 16 6.786 11.167 0.991 1.00 0.00 C ATOM 190 O ARG A 16 6.716 12.393 0.916 1.00 0.00 O ATOM 191 CB ARG A 16 4.342 10.761 0.699 1.00 0.00 C ATOM 192 CG ARG A 16 4.586 10.663 -0.808 1.00 0.00 C ATOM 193 CD ARG A 16 3.344 11.091 -1.593 1.00 0.00 C ATOM 194 NE ARG A 16 3.243 12.567 -1.615 1.00 0.00 N ATOM 195 CZ ARG A 16 2.106 13.239 -1.841 1.00 0.00 C ATOM 196 NH1 ARG A 16 0.967 12.571 -2.067 1.00 0.00 N ATOM 197 NH2 ARG A 16 2.109 14.579 -1.842 1.00 0.00 N ATOM 0 H ARG A 16 4.918 11.410 3.162 1.00 0.00 H new ATOM 0 HA ARG A 16 5.777 9.289 1.318 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.505 10.121 0.978 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.063 11.782 0.960 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.431 11.293 -1.085 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.852 9.639 -1.071 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.397 10.707 -2.612 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.451 10.664 -1.137 1.00 0.00 H new ATOM 0 HE ARG A 16 4.092 13.107 -1.448 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.965 11.551 -2.067 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.101 13.082 -2.239 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.977 15.087 -1.671 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.244 15.091 -2.014 1.00 0.00 H new ATOM 211 N SER A 17 7.856 10.456 0.670 1.00 0.00 N ATOM 212 CA SER A 17 9.066 11.100 0.186 1.00 0.00 C ATOM 213 C SER A 17 9.134 11.009 -1.339 1.00 0.00 C ATOM 214 O SER A 17 8.217 10.491 -1.975 1.00 0.00 O ATOM 215 CB SER A 17 10.312 10.471 0.812 1.00 0.00 C ATOM 216 OG SER A 17 10.856 11.282 1.850 1.00 0.00 O ATOM 0 H SER A 17 7.911 9.440 0.735 1.00 0.00 H new ATOM 0 HA SER A 17 9.035 12.149 0.479 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.060 9.490 1.213 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.066 10.316 0.040 1.00 0.00 H new ATOM 0 HG SER A 17 10.506 10.984 2.716 1.00 0.00 H new ATOM 222 N LYS A 18 10.228 11.520 -1.883 1.00 0.00 N ATOM 223 CA LYS A 18 10.428 11.503 -3.322 1.00 0.00 C ATOM 224 C LYS A 18 11.806 10.916 -3.635 1.00 0.00 C ATOM 225 O LYS A 18 12.348 11.138 -4.716 1.00 0.00 O ATOM 226 CB LYS A 18 10.205 12.898 -3.910 1.00 0.00 C ATOM 227 CG LYS A 18 8.741 13.100 -4.305 1.00 0.00 C ATOM 228 CD LYS A 18 8.623 13.572 -5.755 1.00 0.00 C ATOM 229 CE LYS A 18 7.750 14.824 -5.855 1.00 0.00 C ATOM 230 NZ LYS A 18 8.008 15.535 -7.127 1.00 0.00 N ATOM 0 H LYS A 18 10.986 11.949 -1.353 1.00 0.00 H new ATOM 0 HA LYS A 18 9.691 10.859 -3.801 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.496 13.654 -3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.843 13.035 -4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.194 12.166 -4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.280 13.832 -3.642 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.615 13.783 -6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.196 12.777 -6.366 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.698 14.547 -5.793 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.955 15.486 -5.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.407 16.382 -7.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.008 15.816 -7.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.790 14.907 -7.926 1.00 0.00 H new ATOM 244 N GLY A 19 12.333 10.179 -2.668 1.00 0.00 N ATOM 245 CA GLY A 19 13.637 9.559 -2.827 1.00 0.00 C ATOM 246 C GLY A 19 14.199 9.111 -1.476 1.00 0.00 C ATOM 247 O GLY A 19 13.480 8.536 -0.660 1.00 0.00 O ATOM 0 H GLY A 19 11.881 9.998 -1.772 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.557 8.701 -3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.324 10.264 -3.295 1.00 0.00 H new ATOM 251 N SER A 20 15.479 9.390 -1.282 1.00 0.00 N ATOM 252 CA SER A 20 16.146 9.023 -0.044 1.00 0.00 C ATOM 253 C SER A 20 16.421 10.274 0.793 1.00 0.00 C ATOM 254 O SER A 20 15.858 10.438 1.874 1.00 0.00 O ATOM 255 CB SER A 20 17.450 8.273 -0.322 1.00 0.00 C ATOM 256 OG SER A 20 17.617 7.153 0.543 1.00 0.00 O ATOM 0 H SER A 20 16.073 9.866 -1.961 1.00 0.00 H new ATOM 0 HA SER A 20 15.488 8.357 0.515 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.460 7.935 -1.358 1.00 0.00 H new ATOM 0 HB3 SER A 20 18.293 8.954 -0.200 1.00 0.00 H new ATOM 0 HG SER A 20 18.460 6.700 0.333 1.00 0.00 H new ATOM 262 N LYS A 21 17.288 11.124 0.262 1.00 0.00 N ATOM 263 CA LYS A 21 17.645 12.355 0.946 1.00 0.00 C ATOM 264 C LYS A 21 16.504 13.363 0.801 1.00 0.00 C ATOM 265 O LYS A 21 16.582 14.474 1.323 1.00 0.00 O ATOM 266 CB LYS A 21 18.993 12.875 0.445 1.00 0.00 C ATOM 267 CG LYS A 21 19.958 11.720 0.167 1.00 0.00 C ATOM 268 CD LYS A 21 20.168 11.532 -1.337 1.00 0.00 C ATOM 269 CE LYS A 21 20.801 12.777 -1.963 1.00 0.00 C ATOM 270 NZ LYS A 21 22.260 12.590 -2.124 1.00 0.00 N ATOM 0 H LYS A 21 17.754 10.984 -0.635 1.00 0.00 H new ATOM 0 HA LYS A 21 17.777 12.174 2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.847 13.458 -0.464 1.00 0.00 H new ATOM 0 HB3 LYS A 21 19.427 13.545 1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 21 20.915 11.917 0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 21 19.565 10.800 0.601 1.00 0.00 H new ATOM 0 HD2 LYS A 21 20.808 10.667 -1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 21 19.212 11.325 -1.818 1.00 0.00 H new ATOM 0 HE2 LYS A 21 20.345 12.976 -2.933 1.00 0.00 H new ATOM 0 HE3 LYS A 21 20.607 13.646 -1.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 22.674 13.443 -2.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 22.693 12.422 -1.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 22.439 11.773 -2.742 1.00 0.00 H new ATOM 284 N LYS A 22 15.469 12.940 0.090 1.00 0.00 N ATOM 285 CA LYS A 22 14.314 13.792 -0.131 1.00 0.00 C ATOM 286 C LYS A 22 13.551 13.960 1.185 1.00 0.00 C ATOM 287 O LYS A 22 13.658 13.123 2.080 1.00 0.00 O ATOM 288 CB LYS A 22 13.455 13.246 -1.274 1.00 0.00 C ATOM 289 CG LYS A 22 14.150 13.441 -2.623 1.00 0.00 C ATOM 290 CD LYS A 22 13.378 14.429 -3.499 1.00 0.00 C ATOM 291 CE LYS A 22 14.111 14.681 -4.818 1.00 0.00 C ATOM 292 NZ LYS A 22 13.593 15.902 -5.474 1.00 0.00 N ATOM 0 H LYS A 22 15.407 12.017 -0.341 1.00 0.00 H new ATOM 0 HA LYS A 22 14.629 14.786 -0.447 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.258 12.186 -1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.489 13.752 -1.282 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.165 13.806 -2.464 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.233 12.483 -3.136 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.381 14.038 -3.702 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.249 15.370 -2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.180 14.786 -4.632 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.985 13.824 -5.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.101 16.058 -6.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.578 15.787 -5.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.735 16.720 -4.847 1.00 0.00 H new ATOM 306 N PRO A 23 12.778 15.077 1.263 1.00 0.00 N ATOM 307 CA PRO A 23 11.998 15.366 2.454 1.00 0.00 C ATOM 308 C PRO A 23 10.764 14.465 2.533 1.00 0.00 C ATOM 309 O PRO A 23 10.143 14.166 1.515 1.00 0.00 O ATOM 310 CB PRO A 23 11.650 16.842 2.348 1.00 0.00 C ATOM 311 CG PRO A 23 11.847 17.212 0.887 1.00 0.00 C ATOM 312 CD PRO A 23 12.628 16.090 0.223 1.00 0.00 C ATOM 0 HA PRO A 23 12.546 15.165 3.375 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.622 17.025 2.662 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.292 17.442 2.993 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.884 17.350 0.395 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.387 18.155 0.802 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.095 15.694 -0.641 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.597 16.439 -0.133 1.00 0.00 H new ATOM 320 N TRP A 24 10.447 14.056 3.753 1.00 0.00 N ATOM 321 CA TRP A 24 9.298 13.195 3.978 1.00 0.00 C ATOM 322 C TRP A 24 8.069 14.086 4.164 1.00 0.00 C ATOM 323 O TRP A 24 8.155 15.151 4.774 1.00 0.00 O ATOM 324 CB TRP A 24 9.541 12.257 5.162 1.00 0.00 C ATOM 325 CG TRP A 24 10.774 11.364 5.007 1.00 0.00 C ATOM 326 CD1 TRP A 24 12.016 11.587 5.459 1.00 0.00 C ATOM 327 CD2 TRP A 24 10.834 10.090 4.331 1.00 0.00 C ATOM 328 NE1 TRP A 24 12.868 10.554 5.125 1.00 0.00 N ATOM 329 CE2 TRP A 24 12.127 9.615 4.418 1.00 0.00 C ATOM 330 CE3 TRP A 24 9.829 9.364 3.669 1.00 0.00 C ATOM 331 CZ2 TRP A 24 12.534 8.395 3.864 1.00 0.00 C ATOM 332 CZ3 TRP A 24 10.252 8.147 3.121 1.00 0.00 C ATOM 333 CH2 TRP A 24 11.549 7.654 3.199 1.00 0.00 C ATOM 0 H TRP A 24 10.965 14.305 4.595 1.00 0.00 H new ATOM 0 HA TRP A 24 9.129 12.544 3.120 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.649 12.853 6.068 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.663 11.626 5.298 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.313 12.464 6.015 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.860 10.491 5.355 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.811 9.717 3.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 13.552 8.044 3.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.518 7.549 2.601 1.00 0.00 H new ATOM 0 HH2 TRP A 24 11.796 6.704 2.749 1.00 0.00 H new ATOM 344 N LYS A 25 6.951 13.618 3.627 1.00 0.00 N ATOM 345 CA LYS A 25 5.706 14.359 3.726 1.00 0.00 C ATOM 346 C LYS A 25 4.640 13.472 4.374 1.00 0.00 C ATOM 347 O LYS A 25 4.066 12.605 3.716 1.00 0.00 O ATOM 348 CB LYS A 25 5.299 14.909 2.358 1.00 0.00 C ATOM 349 CG LYS A 25 6.241 16.031 1.917 1.00 0.00 C ATOM 350 CD LYS A 25 6.639 15.868 0.448 1.00 0.00 C ATOM 351 CE LYS A 25 8.033 15.248 0.324 1.00 0.00 C ATOM 352 NZ LYS A 25 8.394 15.069 -1.100 1.00 0.00 N ATOM 0 H LYS A 25 6.882 12.734 3.122 1.00 0.00 H new ATOM 0 HA LYS A 25 5.831 15.230 4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.313 14.107 1.620 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.276 15.284 2.402 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.755 16.996 2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.134 16.027 2.542 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.910 15.238 -0.062 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.623 16.839 -0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.767 15.887 0.814 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.057 14.286 0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.342 14.647 -1.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.703 14.441 -1.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.391 15.993 -1.578 1.00 0.00 H new ATOM 366 N HIS A 26 4.407 13.720 5.654 1.00 0.00 N ATOM 367 CA HIS A 26 3.421 12.955 6.397 1.00 0.00 C ATOM 368 C HIS A 26 2.015 13.339 5.930 1.00 0.00 C ATOM 369 O HIS A 26 1.469 14.353 6.362 1.00 0.00 O ATOM 370 CB HIS A 26 3.615 13.137 7.904 1.00 0.00 C ATOM 371 CG HIS A 26 3.636 14.579 8.351 1.00 0.00 C ATOM 372 ND1 HIS A 26 3.490 15.734 7.641 1.00 0.00 N flip ATOM 373 CD2 HIS A 26 3.827 14.952 9.670 1.00 0.00 C flip ATOM 374 CE1 HIS A 26 3.585 16.758 8.481 1.00 0.00 C flip ATOM 375 NE2 HIS A 26 3.795 16.275 9.739 1.00 0.00 N flip ATOM 0 H HIS A 26 4.884 14.440 6.196 1.00 0.00 H new ATOM 0 HA HIS A 26 3.555 11.892 6.198 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.814 12.616 8.429 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.551 12.662 8.199 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.977 14.279 10.502 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.509 17.801 8.212 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.908 16.834 10.585 1.00 0.00 H new ATOM 383 N LEU A 27 1.470 12.508 5.054 1.00 0.00 N ATOM 384 CA LEU A 27 0.139 12.748 4.523 1.00 0.00 C ATOM 385 C LEU A 27 -0.811 11.660 5.029 1.00 0.00 C ATOM 386 O LEU A 27 -0.373 10.677 5.624 1.00 0.00 O ATOM 387 CB LEU A 27 0.183 12.865 2.998 1.00 0.00 C ATOM 388 CG LEU A 27 0.554 14.241 2.442 1.00 0.00 C ATOM 389 CD1 LEU A 27 1.218 14.117 1.069 1.00 0.00 C ATOM 390 CD2 LEU A 27 -0.666 15.165 2.406 1.00 0.00 C ATOM 0 H LEU A 27 1.926 11.668 4.699 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.248 13.702 4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.899 12.136 2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.794 12.587 2.604 1.00 0.00 H new ATOM 0 HG LEU A 27 1.283 14.695 3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.472 15.109 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.125 13.519 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.531 13.634 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.375 16.137 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.435 14.727 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.058 15.290 3.416 1.00 0.00 H new ATOM 402 N TRP A 28 -2.093 11.874 4.774 1.00 0.00 N ATOM 403 CA TRP A 28 -3.108 10.924 5.197 1.00 0.00 C ATOM 404 C TRP A 28 -3.557 10.133 3.966 1.00 0.00 C ATOM 405 O TRP A 28 -3.804 10.711 2.909 1.00 0.00 O ATOM 406 CB TRP A 28 -4.263 11.634 5.905 1.00 0.00 C ATOM 407 CG TRP A 28 -5.317 10.686 6.483 1.00 0.00 C ATOM 408 CD1 TRP A 28 -6.433 10.236 5.894 1.00 0.00 C ATOM 409 CD2 TRP A 28 -5.306 10.086 7.795 1.00 0.00 C ATOM 410 NE1 TRP A 28 -7.140 9.394 6.728 1.00 0.00 N ATOM 411 CE2 TRP A 28 -6.432 9.299 7.920 1.00 0.00 C ATOM 412 CE3 TRP A 28 -4.374 10.204 8.842 1.00 0.00 C ATOM 413 CZ2 TRP A 28 -6.733 8.570 9.077 1.00 0.00 C ATOM 414 CZ3 TRP A 28 -4.689 9.468 9.990 1.00 0.00 C ATOM 415 CH2 TRP A 28 -5.820 8.672 10.132 1.00 0.00 C ATOM 0 H TRP A 28 -2.452 12.691 4.280 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.702 10.227 5.930 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.860 12.247 6.711 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.746 12.311 5.201 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.741 10.499 4.893 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -8.020 8.927 6.510 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.486 10.814 8.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.622 7.962 9.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.005 9.522 10.824 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.993 8.135 11.053 1.00 0.00 H new ATOM 426 N PHE A 29 -3.649 8.823 4.144 1.00 0.00 N ATOM 427 CA PHE A 29 -4.065 7.948 3.061 1.00 0.00 C ATOM 428 C PHE A 29 -5.101 6.931 3.545 1.00 0.00 C ATOM 429 O PHE A 29 -5.082 6.525 4.706 1.00 0.00 O ATOM 430 CB PHE A 29 -2.817 7.201 2.587 1.00 0.00 C ATOM 431 CG PHE A 29 -1.720 8.111 2.031 1.00 0.00 C ATOM 432 CD1 PHE A 29 -1.768 8.521 0.735 1.00 0.00 C ATOM 433 CD2 PHE A 29 -0.696 8.510 2.833 1.00 0.00 C ATOM 434 CE1 PHE A 29 -0.750 9.366 0.219 1.00 0.00 C ATOM 435 CE2 PHE A 29 0.322 9.354 2.317 1.00 0.00 C ATOM 436 CZ PHE A 29 0.273 9.764 1.021 1.00 0.00 C ATOM 0 H PHE A 29 -3.443 8.347 5.022 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.517 8.534 2.261 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.411 6.627 3.420 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.105 6.485 1.818 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.581 8.204 0.098 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.658 8.185 3.862 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.788 9.692 -0.810 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.135 9.671 2.953 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.048 10.406 0.629 1.00 0.00 H new ATOM 446 N VAL A 30 -5.980 6.550 2.630 1.00 0.00 N ATOM 447 CA VAL A 30 -7.022 5.588 2.948 1.00 0.00 C ATOM 448 C VAL A 30 -7.260 4.682 1.739 1.00 0.00 C ATOM 449 O VAL A 30 -7.564 5.163 0.649 1.00 0.00 O ATOM 450 CB VAL A 30 -8.286 6.319 3.406 1.00 0.00 C ATOM 451 CG1 VAL A 30 -9.424 5.331 3.671 1.00 0.00 C ATOM 452 CG2 VAL A 30 -8.006 7.178 4.641 1.00 0.00 C ATOM 0 H VAL A 30 -5.992 6.890 1.668 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.713 4.950 3.776 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.600 6.983 2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.311 5.876 3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.649 4.782 2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.124 4.630 4.450 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.921 7.686 4.946 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.656 6.542 5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.241 7.918 4.404 1.00 0.00 H new ATOM 462 N ILE A 31 -7.113 3.386 1.973 1.00 0.00 N ATOM 463 CA ILE A 31 -7.309 2.408 0.917 1.00 0.00 C ATOM 464 C ILE A 31 -8.796 2.066 0.813 1.00 0.00 C ATOM 465 O ILE A 31 -9.303 1.245 1.576 1.00 0.00 O ATOM 466 CB ILE A 31 -6.412 1.189 1.143 1.00 0.00 C ATOM 467 CG1 ILE A 31 -4.934 1.582 1.111 1.00 0.00 C ATOM 468 CG2 ILE A 31 -6.732 0.079 0.139 1.00 0.00 C ATOM 469 CD1 ILE A 31 -4.043 0.398 1.492 1.00 0.00 C ATOM 0 H ILE A 31 -6.860 2.991 2.879 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.009 2.822 -0.046 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.618 0.793 2.137 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.669 1.935 0.114 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.759 2.409 1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.080 -0.776 0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.772 -0.227 0.254 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.572 0.448 -0.874 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.997 0.705 1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.294 0.063 2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.202 -0.419 0.788 1.00 0.00 H new ATOM 481 N LYS A 32 -9.454 2.713 -0.138 1.00 0.00 N ATOM 482 CA LYS A 32 -10.874 2.488 -0.352 1.00 0.00 C ATOM 483 C LYS A 32 -11.096 1.975 -1.776 1.00 0.00 C ATOM 484 O LYS A 32 -10.547 2.525 -2.730 1.00 0.00 O ATOM 485 CB LYS A 32 -11.672 3.751 -0.022 1.00 0.00 C ATOM 486 CG LYS A 32 -13.032 3.739 -0.723 1.00 0.00 C ATOM 487 CD LYS A 32 -13.936 2.647 -0.148 1.00 0.00 C ATOM 488 CE LYS A 32 -14.558 3.093 1.177 1.00 0.00 C ATOM 489 NZ LYS A 32 -15.818 3.830 0.936 1.00 0.00 N ATOM 0 H LYS A 32 -9.030 3.393 -0.769 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.244 1.719 0.326 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.815 3.824 1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.108 4.632 -0.329 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.512 4.711 -0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.893 3.575 -1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.724 2.409 -0.862 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.359 1.735 0.006 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.753 2.224 1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.857 3.727 1.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.227 4.125 1.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.623 4.670 0.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.491 3.213 0.438 1.00 0.00 H new ATOM 503 N ASN A 33 -11.901 0.927 -1.874 1.00 0.00 N ATOM 504 CA ASN A 33 -12.202 0.334 -3.166 1.00 0.00 C ATOM 505 C ASN A 33 -10.905 -0.163 -3.809 1.00 0.00 C ATOM 506 O ASN A 33 -10.846 -0.364 -5.021 1.00 0.00 O ATOM 507 CB ASN A 33 -12.834 1.359 -4.109 1.00 0.00 C ATOM 508 CG ASN A 33 -14.290 0.999 -4.413 1.00 0.00 C ATOM 509 OD1 ASN A 33 -14.750 -0.102 -4.161 1.00 0.00 O ATOM 510 ND2 ASN A 33 -14.987 1.987 -4.968 1.00 0.00 N ATOM 0 H ASN A 33 -12.354 0.474 -1.080 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.901 -0.487 -3.005 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.787 2.350 -3.659 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.265 1.404 -5.038 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -15.968 1.846 -5.209 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.540 2.885 -5.152 1.00 0.00 H new ATOM 517 N LYS A 34 -9.898 -0.347 -2.968 1.00 0.00 N ATOM 518 CA LYS A 34 -8.606 -0.817 -3.439 1.00 0.00 C ATOM 519 C LYS A 34 -7.852 0.345 -4.090 1.00 0.00 C ATOM 520 O LYS A 34 -6.861 0.133 -4.786 1.00 0.00 O ATOM 521 CB LYS A 34 -8.779 -2.029 -4.356 1.00 0.00 C ATOM 522 CG LYS A 34 -8.060 -3.254 -3.787 1.00 0.00 C ATOM 523 CD LYS A 34 -9.061 -4.262 -3.218 1.00 0.00 C ATOM 524 CE LYS A 34 -8.387 -5.607 -2.939 1.00 0.00 C ATOM 525 NZ LYS A 34 -9.378 -6.591 -2.449 1.00 0.00 N ATOM 0 H LYS A 34 -9.950 -0.179 -1.963 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.998 -1.163 -2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.840 -2.249 -4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.386 -1.799 -5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.466 -3.727 -4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.367 -2.943 -3.005 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.494 -3.870 -2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.882 -4.402 -3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.915 -5.979 -3.848 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.597 -5.478 -2.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.904 -7.498 -2.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.810 -6.241 -1.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.117 -6.726 -3.168 1.00 0.00 H new ATOM 539 N VAL A 35 -8.352 1.546 -3.841 1.00 0.00 N ATOM 540 CA VAL A 35 -7.738 2.741 -4.394 1.00 0.00 C ATOM 541 C VAL A 35 -7.053 3.524 -3.272 1.00 0.00 C ATOM 542 O VAL A 35 -7.642 3.743 -2.214 1.00 0.00 O ATOM 543 CB VAL A 35 -8.784 3.567 -5.146 1.00 0.00 C ATOM 544 CG1 VAL A 35 -8.167 4.844 -5.718 1.00 0.00 C ATOM 545 CG2 VAL A 35 -9.448 2.738 -6.247 1.00 0.00 C ATOM 0 H VAL A 35 -9.175 1.717 -3.264 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.970 2.474 -5.120 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.556 3.859 -4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.932 5.412 -6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.763 5.448 -4.906 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.366 4.583 -6.409 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.187 3.348 -6.766 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.691 2.403 -6.956 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.939 1.872 -5.804 1.00 0.00 H new ATOM 555 N LEU A 36 -5.819 3.924 -3.540 1.00 0.00 N ATOM 556 CA LEU A 36 -5.048 4.677 -2.566 1.00 0.00 C ATOM 557 C LEU A 36 -5.429 6.156 -2.654 1.00 0.00 C ATOM 558 O LEU A 36 -4.864 6.900 -3.456 1.00 0.00 O ATOM 559 CB LEU A 36 -3.551 4.415 -2.749 1.00 0.00 C ATOM 560 CG LEU A 36 -2.624 5.084 -1.732 1.00 0.00 C ATOM 561 CD1 LEU A 36 -2.608 6.602 -1.920 1.00 0.00 C ATOM 562 CD2 LEU A 36 -3.001 4.687 -0.303 1.00 0.00 C ATOM 0 H LEU A 36 -5.334 3.741 -4.418 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.284 4.346 -1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.383 3.339 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.263 4.747 -3.747 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.609 4.727 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.942 7.053 -1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.256 6.841 -2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.615 6.996 -1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.327 5.176 0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.026 4.996 -0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.919 3.606 -0.192 1.00 0.00 H new ATOM 574 N TYR A 37 -6.384 6.539 -1.820 1.00 0.00 N ATOM 575 CA TYR A 37 -6.847 7.916 -1.793 1.00 0.00 C ATOM 576 C TYR A 37 -5.894 8.800 -0.985 1.00 0.00 C ATOM 577 O TYR A 37 -5.285 8.341 -0.020 1.00 0.00 O ATOM 578 CB TYR A 37 -8.210 7.890 -1.100 1.00 0.00 C ATOM 579 CG TYR A 37 -9.344 7.355 -1.977 1.00 0.00 C ATOM 580 CD1 TYR A 37 -9.879 8.148 -2.972 1.00 0.00 C ATOM 581 CD2 TYR A 37 -9.832 6.080 -1.774 1.00 0.00 C ATOM 582 CE1 TYR A 37 -10.946 7.645 -3.798 1.00 0.00 C ATOM 583 CE2 TYR A 37 -10.899 5.578 -2.599 1.00 0.00 C ATOM 584 CZ TYR A 37 -11.403 6.385 -3.571 1.00 0.00 C ATOM 585 OH TYR A 37 -12.411 5.910 -4.351 1.00 0.00 O ATOM 0 H TYR A 37 -6.850 5.919 -1.157 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.900 8.322 -2.803 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -8.138 7.276 -0.202 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.461 8.900 -0.776 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -9.497 9.146 -3.131 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.413 5.459 -0.996 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.373 8.255 -4.580 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.291 4.583 -2.450 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.634 4.996 -4.076 1.00 0.00 H new ATOM 595 N THR A 38 -5.795 10.051 -1.409 1.00 0.00 N ATOM 596 CA THR A 38 -4.927 11.003 -0.737 1.00 0.00 C ATOM 597 C THR A 38 -5.750 11.950 0.138 1.00 0.00 C ATOM 598 O THR A 38 -6.934 12.164 -0.116 1.00 0.00 O ATOM 599 CB THR A 38 -4.101 11.725 -1.804 1.00 0.00 C ATOM 600 OG1 THR A 38 -3.159 10.746 -2.235 1.00 0.00 O ATOM 601 CG2 THR A 38 -3.235 12.841 -1.217 1.00 0.00 C ATOM 0 H THR A 38 -6.302 10.428 -2.210 1.00 0.00 H new ATOM 0 HA THR A 38 -4.239 10.500 -0.058 1.00 0.00 H new ATOM 0 HB THR A 38 -4.768 12.141 -2.559 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.583 11.129 -2.929 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.669 13.321 -2.016 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.873 13.579 -0.730 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.545 12.420 -0.486 1.00 0.00 H new ATOM 609 N TYR A 39 -5.090 12.491 1.151 1.00 0.00 N ATOM 610 CA TYR A 39 -5.746 13.410 2.066 1.00 0.00 C ATOM 611 C TYR A 39 -4.730 14.339 2.733 1.00 0.00 C ATOM 612 O TYR A 39 -3.531 14.237 2.479 1.00 0.00 O ATOM 613 CB TYR A 39 -6.405 12.540 3.138 1.00 0.00 C ATOM 614 CG TYR A 39 -7.650 11.793 2.656 1.00 0.00 C ATOM 615 CD1 TYR A 39 -8.858 12.455 2.562 1.00 0.00 C ATOM 616 CD2 TYR A 39 -7.565 10.459 2.314 1.00 0.00 C ATOM 617 CE1 TYR A 39 -10.030 11.752 2.108 1.00 0.00 C ATOM 618 CE2 TYR A 39 -8.737 9.756 1.860 1.00 0.00 C ATOM 619 CZ TYR A 39 -9.912 10.438 1.780 1.00 0.00 C ATOM 620 OH TYR A 39 -11.019 9.774 1.351 1.00 0.00 O ATOM 0 H TYR A 39 -4.108 12.311 1.359 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.465 14.033 1.534 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.677 11.815 3.501 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.677 13.169 3.985 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.924 13.499 2.829 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.620 9.942 2.387 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.981 12.257 2.030 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.685 8.712 1.589 1.00 0.00 H new ATOM 0 HH TYR A 39 -10.785 8.843 1.151 1.00 0.00 H new ATOM 630 N ALA A 40 -5.247 15.224 3.573 1.00 0.00 N ATOM 631 CA ALA A 40 -4.399 16.170 4.278 1.00 0.00 C ATOM 632 C ALA A 40 -4.575 15.980 5.786 1.00 0.00 C ATOM 633 O ALA A 40 -3.604 16.029 6.539 1.00 0.00 O ATOM 634 CB ALA A 40 -4.736 17.593 3.826 1.00 0.00 C ATOM 0 H ALA A 40 -6.242 15.306 3.781 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.349 15.994 4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.100 18.303 4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.567 17.684 2.753 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.781 17.807 4.048 1.00 0.00 H new ATOM 640 N ALA A 41 -5.822 15.768 6.182 1.00 0.00 N ATOM 641 CA ALA A 41 -6.137 15.571 7.586 1.00 0.00 C ATOM 642 C ALA A 41 -6.683 14.156 7.788 1.00 0.00 C ATOM 643 O ALA A 41 -6.714 13.359 6.851 1.00 0.00 O ATOM 644 CB ALA A 41 -7.124 16.647 8.044 1.00 0.00 C ATOM 0 H ALA A 41 -6.625 15.728 5.555 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.240 15.669 8.198 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.360 16.499 9.098 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.678 17.632 7.907 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.038 16.577 7.454 1.00 0.00 H new ATOM 688 N VAL A 45 -12.521 16.804 4.307 1.00 0.00 N ATOM 689 CA VAL A 45 -13.836 16.954 3.707 1.00 0.00 C ATOM 690 C VAL A 45 -13.868 16.213 2.368 1.00 0.00 C ATOM 691 O VAL A 45 -14.932 15.803 1.907 1.00 0.00 O ATOM 692 CB VAL A 45 -14.185 18.438 3.577 1.00 0.00 C ATOM 693 CG1 VAL A 45 -14.775 18.978 4.881 1.00 0.00 C ATOM 694 CG2 VAL A 45 -12.963 19.253 3.149 1.00 0.00 C ATOM 0 HA VAL A 45 -14.600 16.508 4.344 1.00 0.00 H new ATOM 0 HB VAL A 45 -14.943 18.538 2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -15.014 20.035 4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -15.682 18.426 5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.049 18.859 5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.238 20.304 3.064 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.174 19.144 3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.605 18.893 2.185 1.00 0.00 H new ATOM 704 N ALA A 46 -12.689 16.063 1.783 1.00 0.00 N ATOM 705 CA ALA A 46 -12.569 15.379 0.507 1.00 0.00 C ATOM 706 C ALA A 46 -11.107 14.994 0.275 1.00 0.00 C ATOM 707 O ALA A 46 -10.199 15.685 0.734 1.00 0.00 O ATOM 708 CB ALA A 46 -13.120 16.273 -0.606 1.00 0.00 C ATOM 0 H ALA A 46 -11.808 16.403 2.169 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.156 14.460 0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.030 15.760 -1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.169 16.493 -0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.554 17.204 -0.639 1.00 0.00 H new ATOM 714 N ALA A 47 -10.924 13.892 -0.438 1.00 0.00 N ATOM 715 CA ALA A 47 -9.588 13.406 -0.736 1.00 0.00 C ATOM 716 C ALA A 47 -8.906 14.368 -1.712 1.00 0.00 C ATOM 717 O ALA A 47 -9.512 14.793 -2.695 1.00 0.00 O ATOM 718 CB ALA A 47 -9.673 11.981 -1.287 1.00 0.00 C ATOM 0 H ALA A 47 -11.680 13.322 -0.818 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.983 13.370 0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.670 11.617 -1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.138 11.331 -0.546 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.271 11.978 -2.198 1.00 0.00 H new ATOM 724 N LEU A 48 -7.656 14.684 -1.406 1.00 0.00 N ATOM 725 CA LEU A 48 -6.886 15.587 -2.244 1.00 0.00 C ATOM 726 C LEU A 48 -6.728 14.975 -3.636 1.00 0.00 C ATOM 727 O LEU A 48 -6.832 15.675 -4.642 1.00 0.00 O ATOM 728 CB LEU A 48 -5.557 15.939 -1.572 1.00 0.00 C ATOM 729 CG LEU A 48 -5.655 16.552 -0.173 1.00 0.00 C ATOM 730 CD1 LEU A 48 -4.265 16.763 0.431 1.00 0.00 C ATOM 731 CD2 LEU A 48 -6.472 17.845 -0.196 1.00 0.00 C ATOM 0 H LEU A 48 -7.158 14.331 -0.589 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.414 16.533 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.953 15.034 -1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.020 16.636 -2.216 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.184 15.849 0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.363 17.200 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.751 15.805 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.690 17.435 -0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.526 18.259 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.994 18.565 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.479 17.633 -0.555 1.00 0.00 H new ATOM 743 N GLU A 49 -6.478 13.674 -3.651 1.00 0.00 N ATOM 744 CA GLU A 49 -6.304 12.959 -4.904 1.00 0.00 C ATOM 745 C GLU A 49 -6.790 11.515 -4.763 1.00 0.00 C ATOM 746 O GLU A 49 -7.022 11.040 -3.652 1.00 0.00 O ATOM 747 CB GLU A 49 -4.845 13.003 -5.362 1.00 0.00 C ATOM 748 CG GLU A 49 -4.474 14.396 -5.875 1.00 0.00 C ATOM 749 CD GLU A 49 -2.973 14.494 -6.159 1.00 0.00 C ATOM 750 OE1 GLU A 49 -2.511 13.736 -7.038 1.00 0.00 O ATOM 751 OE2 GLU A 49 -2.322 15.325 -5.489 1.00 0.00 O ATOM 0 H GLU A 49 -6.392 13.096 -2.815 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.906 13.452 -5.668 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.191 12.731 -4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.685 12.267 -6.150 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.035 14.614 -6.784 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.758 15.147 -5.137 1.00 0.00 H new ATOM 758 N SER A 50 -6.931 10.858 -5.905 1.00 0.00 N ATOM 759 CA SER A 50 -7.386 9.478 -5.923 1.00 0.00 C ATOM 760 C SER A 50 -6.642 8.696 -7.007 1.00 0.00 C ATOM 761 O SER A 50 -6.645 9.088 -8.173 1.00 0.00 O ATOM 762 CB SER A 50 -8.897 9.399 -6.153 1.00 0.00 C ATOM 763 OG SER A 50 -9.378 10.501 -6.918 1.00 0.00 O ATOM 0 H SER A 50 -6.738 11.256 -6.824 1.00 0.00 H new ATOM 0 HA SER A 50 -7.170 9.034 -4.951 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.138 8.468 -6.667 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.409 9.374 -5.191 1.00 0.00 H new ATOM 0 HG SER A 50 -10.346 10.414 -7.045 1.00 0.00 H new ATOM 769 N GLN A 51 -6.022 7.604 -6.585 1.00 0.00 N ATOM 770 CA GLN A 51 -5.276 6.763 -7.505 1.00 0.00 C ATOM 771 C GLN A 51 -5.430 5.290 -7.123 1.00 0.00 C ATOM 772 O GLN A 51 -5.188 4.914 -5.977 1.00 0.00 O ATOM 773 CB GLN A 51 -3.801 7.168 -7.544 1.00 0.00 C ATOM 774 CG GLN A 51 -3.573 8.315 -8.531 1.00 0.00 C ATOM 775 CD GLN A 51 -4.047 7.933 -9.934 1.00 0.00 C ATOM 776 OE1 GLN A 51 -3.555 6.779 -10.377 1.00 0.00 O flip ATOM 777 NE2 GLN A 51 -4.810 8.639 -10.573 1.00 0.00 N flip ATOM 0 H GLN A 51 -6.021 7.282 -5.617 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.684 6.902 -8.506 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.477 7.471 -6.548 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.192 6.310 -7.831 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.107 9.203 -8.192 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.514 8.571 -8.558 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.151 9.514 -10.174 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.107 8.355 -11.506 1.00 0.00 H new ATOM 786 N PRO A 52 -5.843 4.475 -8.130 1.00 0.00 N ATOM 787 CA PRO A 52 -6.033 3.051 -7.911 1.00 0.00 C ATOM 788 C PRO A 52 -4.688 2.325 -7.828 1.00 0.00 C ATOM 789 O PRO A 52 -3.681 2.817 -8.334 1.00 0.00 O ATOM 790 CB PRO A 52 -6.889 2.584 -9.076 1.00 0.00 C ATOM 791 CG PRO A 52 -6.760 3.657 -10.145 1.00 0.00 C ATOM 792 CD PRO A 52 -6.140 4.886 -9.499 1.00 0.00 C ATOM 0 HA PRO A 52 -6.523 2.833 -6.962 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.548 1.618 -9.449 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.928 2.459 -8.772 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.138 3.304 -10.968 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.737 3.898 -10.564 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.237 5.196 -10.024 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.827 5.732 -9.518 1.00 0.00 H new ATOM 800 N LEU A 53 -4.716 1.166 -7.187 1.00 0.00 N ATOM 801 CA LEU A 53 -3.512 0.368 -7.031 1.00 0.00 C ATOM 802 C LEU A 53 -3.516 -0.759 -8.067 1.00 0.00 C ATOM 803 O LEU A 53 -2.890 -1.797 -7.861 1.00 0.00 O ATOM 804 CB LEU A 53 -3.377 -0.123 -5.589 1.00 0.00 C ATOM 805 CG LEU A 53 -3.258 0.964 -4.518 1.00 0.00 C ATOM 806 CD1 LEU A 53 -3.724 0.445 -3.156 1.00 0.00 C ATOM 807 CD2 LEU A 53 -1.836 1.525 -4.463 1.00 0.00 C ATOM 0 H LEU A 53 -5.554 0.760 -6.770 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.626 0.974 -7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.243 -0.743 -5.355 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.499 -0.765 -5.526 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.918 1.787 -4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.629 1.237 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.766 0.133 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.109 -0.405 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.778 2.295 -3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.137 0.723 -4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.578 1.957 -5.430 1.00 0.00 H new ATOM 819 N LEU A 54 -4.227 -0.515 -9.157 1.00 0.00 N ATOM 820 CA LEU A 54 -4.321 -1.496 -10.225 1.00 0.00 C ATOM 821 C LEU A 54 -3.118 -1.343 -11.158 1.00 0.00 C ATOM 822 O LEU A 54 -2.884 -0.265 -11.704 1.00 0.00 O ATOM 823 CB LEU A 54 -5.670 -1.386 -10.937 1.00 0.00 C ATOM 824 CG LEU A 54 -6.024 -2.534 -11.885 1.00 0.00 C ATOM 825 CD1 LEU A 54 -7.530 -2.583 -12.149 1.00 0.00 C ATOM 826 CD2 LEU A 54 -5.217 -2.442 -13.182 1.00 0.00 C ATOM 0 H LEU A 54 -4.744 0.348 -9.324 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.284 -2.507 -9.819 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.452 -1.311 -10.181 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.684 -0.455 -11.504 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.752 -3.472 -11.402 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.754 -3.408 -12.826 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.060 -2.731 -11.208 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.851 -1.645 -12.602 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.487 -3.269 -13.838 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.435 -1.497 -13.680 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.153 -2.494 -12.953 1.00 0.00 H new ATOM 838 N GLY A 55 -2.387 -2.437 -11.314 1.00 0.00 N ATOM 839 CA GLY A 55 -1.215 -2.438 -12.172 1.00 0.00 C ATOM 840 C GLY A 55 0.026 -1.976 -11.406 1.00 0.00 C ATOM 841 O GLY A 55 1.152 -2.197 -11.849 1.00 0.00 O ATOM 0 H GLY A 55 -2.584 -3.329 -10.860 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.050 -3.440 -12.567 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.385 -1.782 -13.026 1.00 0.00 H new ATOM 845 N PHE A 56 -0.222 -1.343 -10.269 1.00 0.00 N ATOM 846 CA PHE A 56 0.861 -0.848 -9.436 1.00 0.00 C ATOM 847 C PHE A 56 1.556 -1.996 -8.701 1.00 0.00 C ATOM 848 O PHE A 56 1.145 -3.149 -8.814 1.00 0.00 O ATOM 849 CB PHE A 56 0.239 0.098 -8.408 1.00 0.00 C ATOM 850 CG PHE A 56 -0.095 1.485 -8.960 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.834 2.477 -8.916 1.00 0.00 C ATOM 852 CD2 PHE A 56 -1.322 1.727 -9.495 1.00 0.00 C ATOM 853 CE1 PHE A 56 0.524 3.764 -9.428 1.00 0.00 C ATOM 854 CE2 PHE A 56 -1.632 3.014 -10.007 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.702 4.006 -9.963 1.00 0.00 C ATOM 0 H PHE A 56 -1.157 -1.161 -9.905 1.00 0.00 H new ATOM 0 HA PHE A 56 1.605 -0.345 -10.054 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.672 -0.355 -8.017 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.926 0.208 -7.569 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.808 2.285 -8.491 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.060 0.940 -9.530 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.262 4.551 -9.393 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.606 3.206 -10.432 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.938 4.985 -10.353 1.00 0.00 H new ATOM 865 N THR A 57 2.599 -1.639 -7.964 1.00 0.00 N ATOM 866 CA THR A 57 3.355 -2.625 -7.211 1.00 0.00 C ATOM 867 C THR A 57 3.931 -1.997 -5.940 1.00 0.00 C ATOM 868 O THR A 57 3.925 -0.776 -5.789 1.00 0.00 O ATOM 869 CB THR A 57 4.422 -3.211 -8.137 1.00 0.00 C ATOM 870 OG1 THR A 57 3.771 -3.304 -9.401 1.00 0.00 O ATOM 871 CG2 THR A 57 4.767 -4.660 -7.789 1.00 0.00 C ATOM 0 H THR A 57 2.937 -0.681 -7.873 1.00 0.00 H new ATOM 0 HA THR A 57 2.716 -3.440 -6.872 1.00 0.00 H new ATOM 0 HB THR A 57 5.323 -2.600 -8.084 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.392 -3.674 -10.062 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.529 -5.028 -8.476 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.145 -4.709 -6.768 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.873 -5.277 -7.874 1.00 0.00 H new ATOM 879 N VAL A 58 4.415 -2.860 -5.059 1.00 0.00 N ATOM 880 CA VAL A 58 4.994 -2.406 -3.806 1.00 0.00 C ATOM 881 C VAL A 58 6.164 -3.317 -3.430 1.00 0.00 C ATOM 882 O VAL A 58 6.192 -4.486 -3.811 1.00 0.00 O ATOM 883 CB VAL A 58 3.914 -2.342 -2.724 1.00 0.00 C ATOM 884 CG1 VAL A 58 4.395 -3.002 -1.430 1.00 0.00 C ATOM 885 CG2 VAL A 58 3.476 -0.898 -2.472 1.00 0.00 C ATOM 0 H VAL A 58 4.418 -3.872 -5.188 1.00 0.00 H new ATOM 0 HA VAL A 58 5.390 -1.396 -3.912 1.00 0.00 H new ATOM 0 HB VAL A 58 3.047 -2.898 -3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.609 -2.943 -0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.635 -4.048 -1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.284 -2.486 -1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.708 -0.880 -1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.333 -0.309 -2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.074 -0.474 -3.392 1.00 0.00 H new ATOM 895 N THR A 59 7.101 -2.747 -2.687 1.00 0.00 N ATOM 896 CA THR A 59 8.271 -3.493 -2.255 1.00 0.00 C ATOM 897 C THR A 59 8.932 -2.804 -1.060 1.00 0.00 C ATOM 898 O THR A 59 8.895 -1.580 -0.946 1.00 0.00 O ATOM 899 CB THR A 59 9.203 -3.649 -3.458 1.00 0.00 C ATOM 900 OG1 THR A 59 10.079 -4.709 -3.084 1.00 0.00 O ATOM 901 CG2 THR A 59 10.131 -2.446 -3.640 1.00 0.00 C ATOM 0 H THR A 59 7.074 -1.777 -2.373 1.00 0.00 H new ATOM 0 HA THR A 59 7.998 -4.489 -1.906 1.00 0.00 H new ATOM 0 HB THR A 59 8.609 -3.789 -4.361 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.716 -4.878 -3.809 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.771 -2.608 -4.507 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.535 -1.546 -3.792 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.749 -2.325 -2.750 1.00 0.00 H new ATOM 909 N LEU A 60 9.521 -3.620 -0.198 1.00 0.00 N ATOM 910 CA LEU A 60 10.189 -3.105 0.984 1.00 0.00 C ATOM 911 C LEU A 60 11.584 -2.609 0.601 1.00 0.00 C ATOM 912 O LEU A 60 12.252 -3.210 -0.239 1.00 0.00 O ATOM 913 CB LEU A 60 10.193 -4.154 2.098 1.00 0.00 C ATOM 914 CG LEU A 60 10.471 -3.633 3.509 1.00 0.00 C ATOM 915 CD1 LEU A 60 11.877 -3.039 3.608 1.00 0.00 C ATOM 916 CD2 LEU A 60 9.396 -2.637 3.948 1.00 0.00 C ATOM 0 H LEU A 60 9.549 -4.635 -0.295 1.00 0.00 H new ATOM 0 HA LEU A 60 9.646 -2.250 1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.225 -4.655 2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.942 -4.908 1.857 1.00 0.00 H new ATOM 0 HG LEU A 60 10.429 -4.477 4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.048 -2.676 4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.614 -3.806 3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.973 -2.211 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.618 -2.282 4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.381 -1.791 3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.422 -3.127 3.942 1.00 0.00 H new ATOM 928 N VAL A 61 11.984 -1.516 1.235 1.00 0.00 N ATOM 929 CA VAL A 61 13.288 -0.932 0.971 1.00 0.00 C ATOM 930 C VAL A 61 14.069 -0.825 2.282 1.00 0.00 C ATOM 931 O VAL A 61 13.494 -0.530 3.329 1.00 0.00 O ATOM 932 CB VAL A 61 13.125 0.413 0.260 1.00 0.00 C ATOM 933 CG1 VAL A 61 12.041 1.259 0.931 1.00 0.00 C ATOM 934 CG2 VAL A 61 14.454 1.168 0.205 1.00 0.00 C ATOM 0 H VAL A 61 11.428 -1.020 1.931 1.00 0.00 H new ATOM 0 HA VAL A 61 13.864 -1.570 0.301 1.00 0.00 H new ATOM 0 HB VAL A 61 12.810 0.215 -0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.945 2.210 0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.090 0.727 0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 61 12.315 1.444 1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 61 14.311 2.120 -0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.812 1.350 1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 61 15.188 0.573 -0.338 1.00 0.00 H new ATOM 1033 N SER A 68 13.355 -1.460 7.480 1.00 0.00 N ATOM 1034 CA SER A 68 12.194 -2.322 7.342 1.00 0.00 C ATOM 1035 C SER A 68 10.952 -1.619 7.892 1.00 0.00 C ATOM 1036 O SER A 68 10.041 -2.269 8.403 1.00 0.00 O ATOM 1037 CB SER A 68 12.410 -3.656 8.059 1.00 0.00 C ATOM 1038 OG SER A 68 11.382 -4.596 7.760 1.00 0.00 O ATOM 0 HA SER A 68 12.047 -2.530 6.282 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.376 -4.071 7.770 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.445 -3.487 9.135 1.00 0.00 H new ATOM 0 HG SER A 68 10.511 -4.148 7.786 1.00 0.00 H new ATOM 1044 N LYS A 69 10.954 -0.300 7.768 1.00 0.00 N ATOM 1045 CA LYS A 69 9.838 0.499 8.247 1.00 0.00 C ATOM 1046 C LYS A 69 9.429 1.497 7.162 1.00 0.00 C ATOM 1047 O LYS A 69 8.667 2.427 7.425 1.00 0.00 O ATOM 1048 CB LYS A 69 10.183 1.153 9.586 1.00 0.00 C ATOM 1049 CG LYS A 69 10.428 0.097 10.666 1.00 0.00 C ATOM 1050 CD LYS A 69 11.547 0.531 11.615 1.00 0.00 C ATOM 1051 CE LYS A 69 11.829 -0.549 12.661 1.00 0.00 C ATOM 1052 NZ LYS A 69 12.166 0.066 13.964 1.00 0.00 N ATOM 0 H LYS A 69 11.711 0.236 7.343 1.00 0.00 H new ATOM 0 HA LYS A 69 8.972 -0.134 8.442 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.071 1.775 9.473 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.370 1.811 9.893 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.511 -0.069 11.231 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.691 -0.852 10.199 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.453 0.735 11.045 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.267 1.460 12.112 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.957 -1.193 12.771 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.652 -1.181 12.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.354 -0.681 14.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.012 0.662 13.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.369 0.650 14.289 1.00 0.00 H new ATOM 1066 N VAL A 70 9.953 1.271 5.967 1.00 0.00 N ATOM 1067 CA VAL A 70 9.652 2.139 4.841 1.00 0.00 C ATOM 1068 C VAL A 70 9.573 1.301 3.563 1.00 0.00 C ATOM 1069 O VAL A 70 10.285 0.307 3.424 1.00 0.00 O ATOM 1070 CB VAL A 70 10.685 3.264 4.756 1.00 0.00 C ATOM 1071 CG1 VAL A 70 12.107 2.712 4.879 1.00 0.00 C ATOM 1072 CG2 VAL A 70 10.518 4.066 3.464 1.00 0.00 C ATOM 0 H VAL A 70 10.585 0.499 5.753 1.00 0.00 H new ATOM 0 HA VAL A 70 8.682 2.617 4.976 1.00 0.00 H new ATOM 0 HB VAL A 70 10.514 3.940 5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.822 3.532 4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.219 2.206 5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.294 2.004 4.071 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.265 4.859 3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.649 3.406 2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.521 4.505 3.435 1.00 0.00 H new ATOM 1082 N PHE A 71 8.703 1.734 2.662 1.00 0.00 N ATOM 1083 CA PHE A 71 8.523 1.036 1.401 1.00 0.00 C ATOM 1084 C PHE A 71 8.400 2.025 0.240 1.00 0.00 C ATOM 1085 O PHE A 71 8.418 3.237 0.448 1.00 0.00 O ATOM 1086 CB PHE A 71 7.224 0.236 1.514 1.00 0.00 C ATOM 1087 CG PHE A 71 6.047 1.037 2.075 1.00 0.00 C ATOM 1088 CD1 PHE A 71 6.033 1.396 3.386 1.00 0.00 C ATOM 1089 CD2 PHE A 71 5.015 1.389 1.262 1.00 0.00 C ATOM 1090 CE1 PHE A 71 4.940 2.139 3.907 1.00 0.00 C ATOM 1091 CE2 PHE A 71 3.923 2.132 1.783 1.00 0.00 C ATOM 1092 CZ PHE A 71 3.908 2.491 3.095 1.00 0.00 C ATOM 0 H PHE A 71 8.115 2.559 2.781 1.00 0.00 H new ATOM 0 HA PHE A 71 9.381 0.393 1.206 1.00 0.00 H new ATOM 0 HB2 PHE A 71 6.955 -0.143 0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.397 -0.631 2.152 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.853 1.116 4.031 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.026 1.103 0.220 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.929 2.424 4.949 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.104 2.412 1.137 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.077 3.055 3.491 1.00 0.00 H new ATOM 1102 N GLN A 72 8.277 1.471 -0.957 1.00 0.00 N ATOM 1103 CA GLN A 72 8.152 2.289 -2.151 1.00 0.00 C ATOM 1104 C GLN A 72 6.957 1.827 -2.988 1.00 0.00 C ATOM 1105 O GLN A 72 6.650 0.637 -3.034 1.00 0.00 O ATOM 1106 CB GLN A 72 9.441 2.260 -2.974 1.00 0.00 C ATOM 1107 CG GLN A 72 10.521 3.132 -2.331 1.00 0.00 C ATOM 1108 CD GLN A 72 11.757 3.226 -3.229 1.00 0.00 C ATOM 1109 OE1 GLN A 72 12.238 4.298 -3.557 1.00 0.00 O ATOM 1110 NE2 GLN A 72 12.241 2.046 -3.608 1.00 0.00 N ATOM 0 H GLN A 72 8.261 0.465 -1.126 1.00 0.00 H new ATOM 0 HA GLN A 72 7.979 3.321 -1.844 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.800 1.234 -3.059 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.239 2.612 -3.986 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.125 4.130 -2.146 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.801 2.716 -1.363 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.790 1.186 -3.297 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.064 2.002 -4.210 1.00 0.00 H new ATOM 1119 N LEU A 73 6.314 2.793 -3.628 1.00 0.00 N ATOM 1120 CA LEU A 73 5.160 2.500 -4.460 1.00 0.00 C ATOM 1121 C LEU A 73 5.608 2.364 -5.917 1.00 0.00 C ATOM 1122 O LEU A 73 5.793 3.364 -6.609 1.00 0.00 O ATOM 1123 CB LEU A 73 4.066 3.549 -4.248 1.00 0.00 C ATOM 1124 CG LEU A 73 2.754 3.310 -4.997 1.00 0.00 C ATOM 1125 CD1 LEU A 73 2.057 2.045 -4.493 1.00 0.00 C ATOM 1126 CD2 LEU A 73 1.844 4.537 -4.913 1.00 0.00 C ATOM 0 H LEU A 73 6.571 3.779 -3.587 1.00 0.00 H new ATOM 0 HA LEU A 73 4.716 1.547 -4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.847 3.607 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.460 4.521 -4.546 1.00 0.00 H new ATOM 0 HG LEU A 73 2.986 3.152 -6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.127 1.899 -5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.708 1.185 -4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.838 2.149 -3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.918 4.341 -5.454 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.616 4.750 -3.869 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.348 5.395 -5.357 1.00 0.00 H new ATOM 1138 N LEU A 74 5.770 1.119 -6.339 1.00 0.00 N ATOM 1139 CA LEU A 74 6.193 0.840 -7.701 1.00 0.00 C ATOM 1140 C LEU A 74 4.971 0.849 -8.622 1.00 0.00 C ATOM 1141 O LEU A 74 3.871 0.489 -8.205 1.00 0.00 O ATOM 1142 CB LEU A 74 6.994 -0.462 -7.757 1.00 0.00 C ATOM 1143 CG LEU A 74 8.466 -0.362 -7.350 1.00 0.00 C ATOM 1144 CD1 LEU A 74 8.853 -1.502 -6.406 1.00 0.00 C ATOM 1145 CD2 LEU A 74 9.373 -0.304 -8.581 1.00 0.00 C ATOM 0 H LEU A 74 5.616 0.292 -5.762 1.00 0.00 H new ATOM 0 HA LEU A 74 6.868 1.619 -8.057 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.508 -1.193 -7.111 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.944 -0.853 -8.773 1.00 0.00 H new ATOM 0 HG LEU A 74 8.606 0.570 -6.803 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.904 -1.407 -6.132 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.238 -1.455 -5.507 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.693 -2.458 -6.905 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.413 -0.233 -8.263 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.236 -1.206 -9.177 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.117 0.569 -9.181 1.00 0.00 H new ATOM 1157 N HIS A 75 5.205 1.265 -9.858 1.00 0.00 N ATOM 1158 CA HIS A 75 4.137 1.327 -10.842 1.00 0.00 C ATOM 1159 C HIS A 75 4.643 0.790 -12.182 1.00 0.00 C ATOM 1160 O HIS A 75 5.241 1.527 -12.964 1.00 0.00 O ATOM 1161 CB HIS A 75 3.575 2.746 -10.946 1.00 0.00 C ATOM 1162 CG HIS A 75 2.703 2.974 -12.157 1.00 0.00 C ATOM 1163 ND1 HIS A 75 3.146 3.642 -13.285 1.00 0.00 N ATOM 1164 CD2 HIS A 75 1.410 2.614 -12.405 1.00 0.00 C ATOM 1165 CE1 HIS A 75 2.157 3.679 -14.165 1.00 0.00 C ATOM 1166 NE2 HIS A 75 1.082 3.042 -13.618 1.00 0.00 N ATOM 0 H HIS A 75 6.118 1.562 -10.201 1.00 0.00 H new ATOM 0 HA HIS A 75 3.309 0.693 -10.525 1.00 0.00 H new ATOM 0 HB2 HIS A 75 2.996 2.963 -10.048 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.404 3.453 -10.970 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.764 2.073 -11.729 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.195 4.134 -15.144 1.00 0.00 H new ATOM 0 HE2 HIS A 75 0.175 2.915 -14.067 1.00 0.00 H new ATOM 1174 N LYS A 76 4.383 -0.490 -12.407 1.00 0.00 N ATOM 1175 CA LYS A 76 4.804 -1.134 -13.639 1.00 0.00 C ATOM 1176 C LYS A 76 6.225 -1.677 -13.466 1.00 0.00 C ATOM 1177 O LYS A 76 6.573 -2.709 -14.037 1.00 0.00 O ATOM 1178 CB LYS A 76 4.651 -0.178 -14.823 1.00 0.00 C ATOM 1179 CG LYS A 76 3.341 0.607 -14.729 1.00 0.00 C ATOM 1180 CD LYS A 76 2.685 0.746 -16.104 1.00 0.00 C ATOM 1181 CE LYS A 76 3.284 1.920 -16.881 1.00 0.00 C ATOM 1182 NZ LYS A 76 4.035 1.432 -18.059 1.00 0.00 N ATOM 0 H LYS A 76 3.886 -1.098 -11.756 1.00 0.00 H new ATOM 0 HA LYS A 76 4.162 -1.986 -13.862 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.493 0.514 -14.847 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.675 -0.742 -15.756 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.658 0.102 -14.046 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.534 1.596 -14.313 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.820 -0.176 -16.670 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.612 0.893 -15.986 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.490 2.594 -17.202 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.946 2.493 -16.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.435 2.241 -18.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.805 0.807 -17.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.394 0.905 -18.685 1.00 0.00 H new ATOM 1196 N GLY A 77 7.007 -0.956 -12.676 1.00 0.00 N ATOM 1197 CA GLY A 77 8.381 -1.352 -12.421 1.00 0.00 C ATOM 1198 C GLY A 77 9.189 -0.189 -11.843 1.00 0.00 C ATOM 1199 O GLY A 77 10.160 -0.401 -11.118 1.00 0.00 O ATOM 0 H GLY A 77 6.715 -0.100 -12.204 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.398 -2.192 -11.726 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.842 -1.695 -13.347 1.00 0.00 H new ATOM 1203 N MET A 78 8.759 1.017 -12.186 1.00 0.00 N ATOM 1204 CA MET A 78 9.430 2.215 -11.710 1.00 0.00 C ATOM 1205 C MET A 78 8.794 2.721 -10.415 1.00 0.00 C ATOM 1206 O MET A 78 7.576 2.667 -10.254 1.00 0.00 O ATOM 1207 CB MET A 78 9.347 3.305 -12.781 1.00 0.00 C ATOM 1208 CG MET A 78 10.621 3.340 -13.628 1.00 0.00 C ATOM 1209 SD MET A 78 11.645 4.715 -13.133 1.00 0.00 S ATOM 1210 CE MET A 78 12.422 5.100 -14.694 1.00 0.00 C ATOM 0 H MET A 78 7.954 1.190 -12.788 1.00 0.00 H new ATOM 0 HA MET A 78 10.473 1.970 -11.508 1.00 0.00 H new ATOM 0 HB2 MET A 78 8.484 3.125 -13.422 1.00 0.00 H new ATOM 0 HB3 MET A 78 9.194 4.275 -12.307 1.00 0.00 H new ATOM 0 HG2 MET A 78 11.171 2.406 -13.512 1.00 0.00 H new ATOM 0 HG3 MET A 78 10.364 3.429 -14.683 1.00 0.00 H new ATOM 0 HE1 MET A 78 13.100 5.943 -14.565 1.00 0.00 H new ATOM 0 HE2 MET A 78 12.983 4.234 -15.045 1.00 0.00 H new ATOM 0 HE3 MET A 78 11.658 5.358 -15.427 1.00 0.00 H new ATOM 1220 N VAL A 79 9.647 3.203 -9.523 1.00 0.00 N ATOM 1221 CA VAL A 79 9.184 3.719 -8.246 1.00 0.00 C ATOM 1222 C VAL A 79 8.361 4.987 -8.482 1.00 0.00 C ATOM 1223 O VAL A 79 8.806 5.901 -9.174 1.00 0.00 O ATOM 1224 CB VAL A 79 10.374 3.944 -7.310 1.00 0.00 C ATOM 1225 CG1 VAL A 79 9.969 4.794 -6.104 1.00 0.00 C ATOM 1226 CG2 VAL A 79 10.980 2.613 -6.865 1.00 0.00 C ATOM 0 H VAL A 79 10.657 3.247 -9.660 1.00 0.00 H new ATOM 0 HA VAL A 79 8.533 2.996 -7.755 1.00 0.00 H new ATOM 0 HB VAL A 79 11.138 4.491 -7.863 1.00 0.00 H new ATOM 0 HG11 VAL A 79 10.832 4.939 -5.455 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.606 5.763 -6.447 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.180 4.286 -5.550 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.824 2.801 -6.201 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.226 2.028 -6.338 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.323 2.059 -7.739 1.00 0.00 H new ATOM 1236 N PHE A 80 7.174 5.001 -7.893 1.00 0.00 N ATOM 1237 CA PHE A 80 6.284 6.141 -8.030 1.00 0.00 C ATOM 1238 C PHE A 80 6.478 7.130 -6.879 1.00 0.00 C ATOM 1239 O PHE A 80 6.493 8.341 -7.091 1.00 0.00 O ATOM 1240 CB PHE A 80 4.854 5.600 -7.987 1.00 0.00 C ATOM 1241 CG PHE A 80 3.784 6.642 -8.320 1.00 0.00 C ATOM 1242 CD1 PHE A 80 3.906 7.410 -9.436 1.00 0.00 C ATOM 1243 CD2 PHE A 80 2.710 6.801 -7.500 1.00 0.00 C ATOM 1244 CE1 PHE A 80 2.914 8.378 -9.744 1.00 0.00 C ATOM 1245 CE2 PHE A 80 1.717 7.768 -7.809 1.00 0.00 C ATOM 1246 CZ PHE A 80 1.840 8.536 -8.925 1.00 0.00 C ATOM 0 H PHE A 80 6.808 4.241 -7.320 1.00 0.00 H new ATOM 0 HA PHE A 80 6.492 6.665 -8.963 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.769 4.770 -8.689 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.658 5.198 -6.993 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.758 7.283 -10.088 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.613 6.192 -6.614 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.012 8.989 -10.629 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.864 7.894 -7.158 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.085 9.271 -9.161 1.00 0.00 H new ATOM 1256 N TYR A 81 6.622 6.576 -5.684 1.00 0.00 N ATOM 1257 CA TYR A 81 6.814 7.394 -4.498 1.00 0.00 C ATOM 1258 C TYR A 81 7.284 6.544 -3.316 1.00 0.00 C ATOM 1259 O TYR A 81 7.075 5.332 -3.296 1.00 0.00 O ATOM 1260 CB TYR A 81 5.443 7.989 -4.169 1.00 0.00 C ATOM 1261 CG TYR A 81 5.167 9.330 -4.851 1.00 0.00 C ATOM 1262 CD1 TYR A 81 5.747 10.484 -4.364 1.00 0.00 C ATOM 1263 CD2 TYR A 81 4.339 9.387 -5.954 1.00 0.00 C ATOM 1264 CE1 TYR A 81 5.488 11.747 -5.006 1.00 0.00 C ATOM 1265 CE2 TYR A 81 4.080 10.649 -6.596 1.00 0.00 C ATOM 1266 CZ TYR A 81 4.667 11.767 -6.090 1.00 0.00 C ATOM 1267 OH TYR A 81 4.422 12.960 -6.696 1.00 0.00 O ATOM 0 H TYR A 81 6.610 5.571 -5.511 1.00 0.00 H new ATOM 0 HA TYR A 81 7.570 8.159 -4.678 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.670 7.278 -4.462 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.364 8.119 -3.090 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.395 10.440 -3.501 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.885 8.484 -6.335 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.935 12.657 -4.635 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.434 10.707 -7.460 1.00 0.00 H new ATOM 0 HH TYR A 81 3.820 12.823 -7.457 1.00 0.00 H new ATOM 1277 N VAL A 82 7.911 7.213 -2.360 1.00 0.00 N ATOM 1278 CA VAL A 82 8.413 6.534 -1.177 1.00 0.00 C ATOM 1279 C VAL A 82 7.431 6.740 -0.021 1.00 0.00 C ATOM 1280 O VAL A 82 6.989 7.859 0.231 1.00 0.00 O ATOM 1281 CB VAL A 82 9.826 7.021 -0.854 1.00 0.00 C ATOM 1282 CG1 VAL A 82 10.357 6.361 0.420 1.00 0.00 C ATOM 1283 CG2 VAL A 82 10.772 6.779 -2.032 1.00 0.00 C ATOM 0 H VAL A 82 8.083 8.218 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 82 8.486 5.461 -1.355 1.00 0.00 H new ATOM 0 HB VAL A 82 9.777 8.096 -0.678 1.00 0.00 H new ATOM 0 HG11 VAL A 82 11.363 6.725 0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.703 6.607 1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.383 5.280 0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.770 7.134 -1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.812 5.712 -2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.408 7.318 -2.907 1.00 0.00 H new ATOM 1293 N PHE A 83 7.119 5.641 0.650 1.00 0.00 N ATOM 1294 CA PHE A 83 6.198 5.687 1.773 1.00 0.00 C ATOM 1295 C PHE A 83 6.824 5.062 3.022 1.00 0.00 C ATOM 1296 O PHE A 83 7.382 3.967 2.959 1.00 0.00 O ATOM 1297 CB PHE A 83 4.965 4.873 1.374 1.00 0.00 C ATOM 1298 CG PHE A 83 4.060 5.573 0.358 1.00 0.00 C ATOM 1299 CD1 PHE A 83 3.142 6.484 0.778 1.00 0.00 C ATOM 1300 CD2 PHE A 83 4.175 5.285 -0.967 1.00 0.00 C ATOM 1301 CE1 PHE A 83 2.303 7.133 -0.165 1.00 0.00 C ATOM 1302 CE2 PHE A 83 3.335 5.934 -1.910 1.00 0.00 C ATOM 1303 CZ PHE A 83 2.417 6.845 -1.489 1.00 0.00 C ATOM 0 H PHE A 83 7.487 4.714 0.438 1.00 0.00 H new ATOM 0 HA PHE A 83 5.946 6.722 2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.291 3.919 0.959 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.384 4.649 2.269 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.051 6.714 1.829 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.905 4.563 -1.301 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.574 7.856 0.169 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.425 5.704 -2.961 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.779 7.340 -2.206 1.00 0.00 H new ATOM 1313 N LYS A 84 6.710 5.784 4.126 1.00 0.00 N ATOM 1314 CA LYS A 84 7.258 5.314 5.388 1.00 0.00 C ATOM 1315 C LYS A 84 6.120 5.113 6.390 1.00 0.00 C ATOM 1316 O LYS A 84 5.202 5.929 6.465 1.00 0.00 O ATOM 1317 CB LYS A 84 8.353 6.261 5.882 1.00 0.00 C ATOM 1318 CG LYS A 84 8.763 5.924 7.317 1.00 0.00 C ATOM 1319 CD LYS A 84 9.485 7.102 7.973 1.00 0.00 C ATOM 1320 CE LYS A 84 9.282 7.095 9.489 1.00 0.00 C ATOM 1321 NZ LYS A 84 10.568 6.859 10.183 1.00 0.00 N ATOM 0 H LYS A 84 6.246 6.691 4.174 1.00 0.00 H new ATOM 0 HA LYS A 84 7.742 4.346 5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.221 6.192 5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 84 7.998 7.290 5.834 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.879 5.665 7.900 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.413 5.049 7.317 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.550 7.053 7.745 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.113 8.038 7.557 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.858 8.047 9.810 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.567 6.319 9.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.412 6.857 11.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.957 5.940 9.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.239 7.614 9.936 1.00 0.00 H new ATOM 1335 N ALA A 85 6.216 4.022 7.135 1.00 0.00 N ATOM 1336 CA ALA A 85 5.206 3.704 8.130 1.00 0.00 C ATOM 1337 C ALA A 85 5.766 3.982 9.527 1.00 0.00 C ATOM 1338 O ALA A 85 6.972 3.886 9.746 1.00 0.00 O ATOM 1339 CB ALA A 85 4.762 2.250 7.959 1.00 0.00 C ATOM 0 H ALA A 85 6.978 3.347 7.070 1.00 0.00 H new ATOM 0 HA ALA A 85 4.325 4.332 7.997 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.004 2.011 8.705 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.345 2.112 6.961 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.620 1.590 8.088 1.00 0.00 H new ATOM 1345 N ASP A 86 4.862 4.321 10.435 1.00 0.00 N ATOM 1346 CA ASP A 86 5.251 4.614 11.804 1.00 0.00 C ATOM 1347 C ASP A 86 6.128 3.478 12.335 1.00 0.00 C ATOM 1348 O ASP A 86 7.342 3.632 12.458 1.00 0.00 O ATOM 1349 CB ASP A 86 4.025 4.728 12.712 1.00 0.00 C ATOM 1350 CG ASP A 86 3.730 6.139 13.225 1.00 0.00 C ATOM 1351 OD1 ASP A 86 4.420 7.070 12.755 1.00 0.00 O ATOM 1352 OD2 ASP A 86 2.821 6.255 14.075 1.00 0.00 O ATOM 0 H ASP A 86 3.862 4.399 10.249 1.00 0.00 H new ATOM 0 HA ASP A 86 5.791 5.561 11.806 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.153 4.366 12.167 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.163 4.068 13.568 1.00 0.00 H new ATOM 1357 N ASP A 87 5.479 2.362 12.634 1.00 0.00 N ATOM 1358 CA ASP A 87 6.184 1.201 13.149 1.00 0.00 C ATOM 1359 C ASP A 87 6.524 0.261 11.990 1.00 0.00 C ATOM 1360 O ASP A 87 6.175 0.534 10.843 1.00 0.00 O ATOM 1361 CB ASP A 87 5.319 0.428 14.147 1.00 0.00 C ATOM 1362 CG ASP A 87 5.073 1.142 15.477 1.00 0.00 C ATOM 1363 OD1 ASP A 87 5.575 2.279 15.613 1.00 0.00 O ATOM 1364 OD2 ASP A 87 4.388 0.535 16.329 1.00 0.00 O ATOM 0 H ASP A 87 4.472 2.238 12.529 1.00 0.00 H new ATOM 0 HA ASP A 87 7.087 1.550 13.650 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.356 0.216 13.682 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.794 -0.532 14.349 1.00 0.00 H new ATOM 1369 N ALA A 88 7.200 -0.826 12.331 1.00 0.00 N ATOM 1370 CA ALA A 88 7.590 -1.808 11.334 1.00 0.00 C ATOM 1371 C ALA A 88 6.353 -2.582 10.875 1.00 0.00 C ATOM 1372 O ALA A 88 5.988 -2.537 9.701 1.00 0.00 O ATOM 1373 CB ALA A 88 8.670 -2.724 11.914 1.00 0.00 C ATOM 0 H ALA A 88 7.488 -1.048 13.284 1.00 0.00 H new ATOM 0 HA ALA A 88 8.015 -1.318 10.458 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.962 -3.461 11.166 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.539 -2.129 12.196 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.279 -3.236 12.794 1.00 0.00 H new ATOM 1379 N HIS A 89 5.742 -3.275 11.825 1.00 0.00 N ATOM 1380 CA HIS A 89 4.553 -4.058 11.533 1.00 0.00 C ATOM 1381 C HIS A 89 3.659 -3.290 10.558 1.00 0.00 C ATOM 1382 O HIS A 89 3.127 -3.867 9.611 1.00 0.00 O ATOM 1383 CB HIS A 89 3.828 -4.446 12.823 1.00 0.00 C ATOM 1384 CG HIS A 89 4.402 -5.663 13.508 1.00 0.00 C ATOM 1385 ND1 HIS A 89 3.621 -6.575 14.196 1.00 0.00 N ATOM 1386 CD2 HIS A 89 5.688 -6.110 13.603 1.00 0.00 C ATOM 1387 CE1 HIS A 89 4.411 -7.522 14.680 1.00 0.00 C ATOM 1388 NE2 HIS A 89 5.691 -7.232 14.311 1.00 0.00 N ATOM 0 H HIS A 89 6.048 -3.311 12.797 1.00 0.00 H new ATOM 0 HA HIS A 89 4.838 -4.993 11.050 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.861 -3.603 13.514 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.778 -4.631 12.596 1.00 0.00 H new ATOM 0 HD2 HIS A 89 6.556 -5.631 13.174 1.00 0.00 H new ATOM 0 HE1 HIS A 89 4.096 -8.374 15.264 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.516 -7.787 14.541 1.00 0.00 H new ATOM 1396 N SER A 90 3.521 -1.999 10.824 1.00 0.00 N ATOM 1397 CA SER A 90 2.700 -1.146 9.982 1.00 0.00 C ATOM 1398 C SER A 90 3.176 -1.229 8.531 1.00 0.00 C ATOM 1399 O SER A 90 2.399 -1.560 7.637 1.00 0.00 O ATOM 1400 CB SER A 90 2.733 0.304 10.469 1.00 0.00 C ATOM 1401 OG SER A 90 1.862 0.515 11.577 1.00 0.00 O ATOM 0 H SER A 90 3.964 -1.524 11.610 1.00 0.00 H new ATOM 0 HA SER A 90 1.670 -1.497 10.040 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.752 0.568 10.753 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.448 0.967 9.652 1.00 0.00 H new ATOM 0 HG SER A 90 1.913 1.452 11.859 1.00 0.00 H new ATOM 1407 N THR A 91 4.451 -0.922 8.341 1.00 0.00 N ATOM 1408 CA THR A 91 5.040 -0.957 7.013 1.00 0.00 C ATOM 1409 C THR A 91 4.568 -2.199 6.254 1.00 0.00 C ATOM 1410 O THR A 91 4.068 -2.095 5.135 1.00 0.00 O ATOM 1411 CB THR A 91 6.560 -0.880 7.168 1.00 0.00 C ATOM 1412 OG1 THR A 91 6.829 0.516 7.259 1.00 0.00 O ATOM 1413 CG2 THR A 91 7.300 -1.321 5.903 1.00 0.00 C ATOM 0 H THR A 91 5.093 -0.648 9.085 1.00 0.00 H new ATOM 0 HA THR A 91 4.717 -0.106 6.414 1.00 0.00 H new ATOM 0 HB THR A 91 6.872 -1.503 8.007 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.952 0.885 6.359 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.375 -1.247 6.066 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.038 -2.353 5.669 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.014 -0.677 5.071 1.00 0.00 H new ATOM 1421 N GLN A 92 4.744 -3.346 6.893 1.00 0.00 N ATOM 1422 CA GLN A 92 4.343 -4.607 6.292 1.00 0.00 C ATOM 1423 C GLN A 92 2.856 -4.575 5.934 1.00 0.00 C ATOM 1424 O GLN A 92 2.488 -4.760 4.775 1.00 0.00 O ATOM 1425 CB GLN A 92 4.659 -5.782 7.220 1.00 0.00 C ATOM 1426 CG GLN A 92 6.111 -6.234 7.057 1.00 0.00 C ATOM 1427 CD GLN A 92 6.286 -7.071 5.788 1.00 0.00 C ATOM 1428 OE1 GLN A 92 5.860 -8.211 5.701 1.00 0.00 O ATOM 1429 NE2 GLN A 92 6.935 -6.443 4.811 1.00 0.00 N ATOM 0 H GLN A 92 5.159 -3.429 7.821 1.00 0.00 H new ATOM 0 HA GLN A 92 4.914 -4.748 5.375 1.00 0.00 H new ATOM 0 HB2 GLN A 92 4.479 -5.491 8.255 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.989 -6.613 7.001 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.764 -5.362 7.015 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.414 -6.818 7.926 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.265 -5.488 4.950 1.00 0.00 H new ATOM 0 HE22 GLN A 92 7.102 -6.917 3.923 1.00 0.00 H new ATOM 1438 N ARG A 93 2.040 -4.339 6.951 1.00 0.00 N ATOM 1439 CA ARG A 93 0.601 -4.281 6.759 1.00 0.00 C ATOM 1440 C ARG A 93 0.264 -3.420 5.540 1.00 0.00 C ATOM 1441 O ARG A 93 -0.543 -3.816 4.700 1.00 0.00 O ATOM 1442 CB ARG A 93 -0.096 -3.703 7.992 1.00 0.00 C ATOM 1443 CG ARG A 93 -0.238 -4.761 9.088 1.00 0.00 C ATOM 1444 CD ARG A 93 0.637 -4.420 10.295 1.00 0.00 C ATOM 1445 NE ARG A 93 -0.164 -4.492 11.538 1.00 0.00 N ATOM 1446 CZ ARG A 93 -0.367 -5.617 12.237 1.00 0.00 C ATOM 1447 NH1 ARG A 93 0.171 -6.771 11.820 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -1.108 -5.588 13.353 1.00 0.00 N ATOM 0 H ARG A 93 2.348 -4.186 7.911 1.00 0.00 H new ATOM 0 HA ARG A 93 0.246 -5.299 6.599 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.474 -2.855 8.372 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.081 -3.327 7.715 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.281 -4.831 9.398 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.044 -5.738 8.694 1.00 0.00 H new ATOM 0 HD2 ARG A 93 1.477 -5.113 10.353 1.00 0.00 H new ATOM 0 HD3 ARG A 93 1.056 -3.420 10.180 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.588 -3.631 11.884 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.735 -6.793 10.970 1.00 0.00 H new ATOM 0 HH12 ARG A 93 0.017 -7.627 12.352 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.518 -4.709 13.671 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.262 -6.444 13.885 1.00 0.00 H new ATOM 1462 N TRP A 94 0.897 -2.258 5.482 1.00 0.00 N ATOM 1463 CA TRP A 94 0.674 -1.338 4.380 1.00 0.00 C ATOM 1464 C TRP A 94 1.082 -2.043 3.085 1.00 0.00 C ATOM 1465 O TRP A 94 0.296 -2.119 2.141 1.00 0.00 O ATOM 1466 CB TRP A 94 1.421 -0.022 4.604 1.00 0.00 C ATOM 1467 CG TRP A 94 0.710 0.944 5.555 1.00 0.00 C ATOM 1468 CD1 TRP A 94 0.949 1.145 6.858 1.00 0.00 C ATOM 1469 CD2 TRP A 94 -0.373 1.837 5.221 1.00 0.00 C ATOM 1470 NE1 TRP A 94 0.103 2.098 7.386 1.00 0.00 N ATOM 1471 CE2 TRP A 94 -0.727 2.533 6.359 1.00 0.00 C ATOM 1472 CE3 TRP A 94 -1.032 2.051 3.997 1.00 0.00 C ATOM 1473 CZ2 TRP A 94 -1.750 3.488 6.387 1.00 0.00 C ATOM 1474 CZ3 TRP A 94 -2.052 3.008 4.042 1.00 0.00 C ATOM 1475 CH2 TRP A 94 -2.421 3.717 5.180 1.00 0.00 C ATOM 0 H TRP A 94 1.565 -1.932 6.181 1.00 0.00 H new ATOM 0 HA TRP A 94 -0.380 -1.067 4.312 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.412 -0.242 5.000 1.00 0.00 H new ATOM 0 HB3 TRP A 94 1.564 0.471 3.642 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.709 0.626 7.424 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.089 2.424 8.352 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.771 1.519 3.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.008 4.020 7.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.591 3.210 3.128 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.221 4.441 5.133 1.00 0.00 H new ATOM 1486 N ILE A 95 2.309 -2.542 3.081 1.00 0.00 N ATOM 1487 CA ILE A 95 2.830 -3.239 1.918 1.00 0.00 C ATOM 1488 C ILE A 95 1.837 -4.320 1.489 1.00 0.00 C ATOM 1489 O ILE A 95 1.358 -4.314 0.356 1.00 0.00 O ATOM 1490 CB ILE A 95 4.237 -3.772 2.198 1.00 0.00 C ATOM 1491 CG1 ILE A 95 5.255 -2.631 2.251 1.00 0.00 C ATOM 1492 CG2 ILE A 95 4.630 -4.845 1.181 1.00 0.00 C ATOM 1493 CD1 ILE A 95 6.330 -2.904 3.306 1.00 0.00 C ATOM 0 H ILE A 95 2.958 -2.477 3.865 1.00 0.00 H new ATOM 0 HA ILE A 95 2.936 -2.552 1.078 1.00 0.00 H new ATOM 0 HB ILE A 95 4.234 -4.246 3.180 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.722 -2.510 1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.746 -1.695 2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.634 -5.206 1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.925 -5.675 1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.611 -4.420 0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.041 -2.078 3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.862 -3.001 4.286 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.854 -3.828 3.061 1.00 0.00 H new ATOM 1505 N ASP A 96 1.557 -5.223 2.417 1.00 0.00 N ATOM 1506 CA ASP A 96 0.629 -6.309 2.149 1.00 0.00 C ATOM 1507 C ASP A 96 -0.703 -5.729 1.670 1.00 0.00 C ATOM 1508 O ASP A 96 -1.323 -6.264 0.752 1.00 0.00 O ATOM 1509 CB ASP A 96 0.360 -7.128 3.413 1.00 0.00 C ATOM 1510 CG ASP A 96 -0.350 -8.463 3.180 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -0.051 -9.091 2.141 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -1.176 -8.825 4.045 1.00 0.00 O ATOM 0 H ASP A 96 1.956 -5.225 3.356 1.00 0.00 H new ATOM 0 HA ASP A 96 1.073 -6.953 1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.310 -7.321 3.912 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -0.242 -6.528 4.095 1.00 0.00 H new ATOM 1517 N ALA A 97 -1.104 -4.642 2.313 1.00 0.00 N ATOM 1518 CA ALA A 97 -2.352 -3.984 1.963 1.00 0.00 C ATOM 1519 C ALA A 97 -2.265 -3.467 0.526 1.00 0.00 C ATOM 1520 O ALA A 97 -3.262 -3.456 -0.195 1.00 0.00 O ATOM 1521 CB ALA A 97 -2.639 -2.867 2.969 1.00 0.00 C ATOM 0 H ALA A 97 -0.587 -4.201 3.074 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.184 -4.687 2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.575 -2.373 2.707 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.720 -3.291 3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.827 -2.140 2.947 1.00 0.00 H new ATOM 1527 N PHE A 98 -1.064 -3.050 0.152 1.00 0.00 N ATOM 1528 CA PHE A 98 -0.835 -2.533 -1.186 1.00 0.00 C ATOM 1529 C PHE A 98 -0.640 -3.672 -2.188 1.00 0.00 C ATOM 1530 O PHE A 98 -0.973 -3.533 -3.364 1.00 0.00 O ATOM 1531 CB PHE A 98 0.445 -1.696 -1.129 1.00 0.00 C ATOM 1532 CG PHE A 98 0.218 -0.241 -0.714 1.00 0.00 C ATOM 1533 CD1 PHE A 98 -0.575 0.566 -1.469 1.00 0.00 C ATOM 1534 CD2 PHE A 98 0.810 0.246 0.409 1.00 0.00 C ATOM 1535 CE1 PHE A 98 -0.785 1.917 -1.084 1.00 0.00 C ATOM 1536 CE2 PHE A 98 0.600 1.596 0.795 1.00 0.00 C ATOM 1537 CZ PHE A 98 -0.193 2.403 0.040 1.00 0.00 C ATOM 0 H PHE A 98 -0.240 -3.060 0.752 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.693 -1.944 -1.509 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.139 -2.159 -0.428 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.923 -1.714 -2.109 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -1.045 0.180 -2.361 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.440 -0.395 1.008 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.414 2.558 -1.683 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.070 1.982 1.688 1.00 0.00 H new ATOM 0 HZ PHE A 98 -0.353 3.430 0.333 1.00 0.00 H new ATOM 1547 N GLN A 99 -0.102 -4.774 -1.686 1.00 0.00 N ATOM 1548 CA GLN A 99 0.141 -5.937 -2.523 1.00 0.00 C ATOM 1549 C GLN A 99 -1.179 -6.634 -2.858 1.00 0.00 C ATOM 1550 O GLN A 99 -1.375 -7.092 -3.983 1.00 0.00 O ATOM 1551 CB GLN A 99 1.116 -6.904 -1.848 1.00 0.00 C ATOM 1552 CG GLN A 99 2.553 -6.640 -2.303 1.00 0.00 C ATOM 1553 CD GLN A 99 2.751 -7.053 -3.763 1.00 0.00 C ATOM 1554 OE1 GLN A 99 2.001 -7.838 -4.320 1.00 0.00 O ATOM 1555 NE2 GLN A 99 3.799 -6.482 -4.350 1.00 0.00 N ATOM 0 H GLN A 99 0.173 -4.886 -0.710 1.00 0.00 H new ATOM 0 HA GLN A 99 0.599 -5.602 -3.454 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.048 -6.798 -0.765 1.00 0.00 H new ATOM 0 HB3 GLN A 99 0.838 -7.931 -2.086 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.787 -5.582 -2.186 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.246 -7.192 -1.668 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.386 -5.833 -3.826 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.015 -6.693 -5.324 1.00 0.00 H new ATOM 1564 N GLU A 100 -2.049 -6.694 -1.862 1.00 0.00 N ATOM 1565 CA GLU A 100 -3.345 -7.328 -2.037 1.00 0.00 C ATOM 1566 C GLU A 100 -4.296 -6.394 -2.787 1.00 0.00 C ATOM 1567 O GLU A 100 -5.354 -6.819 -3.249 1.00 0.00 O ATOM 1568 CB GLU A 100 -3.937 -7.747 -0.690 1.00 0.00 C ATOM 1569 CG GLU A 100 -5.032 -6.775 -0.246 1.00 0.00 C ATOM 1570 CD GLU A 100 -5.303 -6.901 1.254 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -4.378 -6.571 2.028 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -6.429 -7.325 1.594 1.00 0.00 O ATOM 0 H GLU A 100 -1.883 -6.314 -0.930 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.208 -8.230 -2.633 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -4.348 -8.753 -0.767 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.149 -7.781 0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -4.733 -5.753 -0.480 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -5.948 -6.975 -0.802 1.00 0.00 H new ATOM 1579 N GLY A 101 -3.886 -5.138 -2.886 1.00 0.00 N ATOM 1580 CA GLY A 101 -4.688 -4.140 -3.572 1.00 0.00 C ATOM 1581 C GLY A 101 -4.666 -4.365 -5.085 1.00 0.00 C ATOM 1582 O GLY A 101 -5.705 -4.304 -5.741 1.00 0.00 O ATOM 0 H GLY A 101 -3.008 -4.789 -2.502 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.715 -4.182 -3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.309 -3.144 -3.343 1.00 0.00 H new ATOM 1586 N THR A 102 -3.471 -4.621 -5.596 1.00 0.00 N ATOM 1587 CA THR A 102 -3.300 -4.855 -7.020 1.00 0.00 C ATOM 1588 C THR A 102 -4.011 -6.144 -7.437 1.00 0.00 C ATOM 1589 O THR A 102 -4.380 -6.305 -8.600 1.00 0.00 O ATOM 1590 CB THR A 102 -1.800 -4.864 -7.321 1.00 0.00 C ATOM 1591 OG1 THR A 102 -1.342 -6.095 -6.768 1.00 0.00 O ATOM 1592 CG2 THR A 102 -1.038 -3.796 -6.534 1.00 0.00 C ATOM 0 H THR A 102 -2.611 -4.672 -5.049 1.00 0.00 H new ATOM 0 HA THR A 102 -3.760 -4.062 -7.609 1.00 0.00 H new ATOM 0 HB THR A 102 -1.644 -4.709 -8.389 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.431 -6.069 -5.792 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.022 -3.846 -6.785 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.425 -2.810 -6.790 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.167 -3.970 -5.466 1.00 0.00 H new ATOM 1600 N VAL A 103 -4.183 -7.028 -6.466 1.00 0.00 N ATOM 1601 CA VAL A 103 -4.843 -8.298 -6.718 1.00 0.00 C ATOM 1602 C VAL A 103 -6.259 -8.255 -6.140 1.00 0.00 C ATOM 1603 O VAL A 103 -6.749 -7.190 -5.767 1.00 0.00 O ATOM 1604 CB VAL A 103 -4.003 -9.446 -6.156 1.00 0.00 C ATOM 1605 CG1 VAL A 103 -2.650 -9.533 -6.865 1.00 0.00 C ATOM 1606 CG2 VAL A 103 -3.821 -9.303 -4.643 1.00 0.00 C ATOM 0 H VAL A 103 -3.877 -6.890 -5.503 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.934 -8.475 -7.790 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.540 -10.376 -6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -2.072 -10.357 -6.447 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.808 -9.704 -7.930 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.105 -8.600 -6.724 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.220 -10.132 -4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -3.317 -8.362 -4.425 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -4.796 -9.313 -4.157 1.00 0.00 H new