USER MOD reduce.3.24.130724 H: found=0, std=0, add=283, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 279 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 11 CYS SG : rot -33:sc= -0.743! USER MOD Set 1.2: A 14 CYS SG : rot 62:sc= 2.28 USER MOD Set 1.3: A 27 CYS SG : rot 132:sc= -2.14 USER MOD Set 1.4: A 29 ASN : amide:sc= -4.97! C(o=-14!,f=-32!) USER MOD Set 1.5: A 32 HIS :FLIP no HD1:sc= -8.07! C(o=-16!,f=-14!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.078) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= -3.66! C(o=-3.7!,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 103 N VAL A 7 28.742 5.291 0.382 1.00 0.00 N ATOM 104 CA VAL A 7 29.039 4.105 -0.473 1.00 0.00 C ATOM 105 C VAL A 7 27.927 3.068 -0.361 1.00 0.00 C ATOM 106 O VAL A 7 27.697 2.485 0.681 1.00 0.00 O ATOM 107 CB VAL A 7 30.358 3.529 0.039 1.00 0.00 C ATOM 108 CG1 VAL A 7 31.475 4.554 -0.158 1.00 0.00 C ATOM 109 CG2 VAL A 7 30.228 3.161 1.526 1.00 0.00 C ATOM 0 HA VAL A 7 29.109 4.386 -1.524 1.00 0.00 H new ATOM 0 HB VAL A 7 30.601 2.627 -0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 7 32.416 4.142 0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 7 31.570 4.790 -1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 7 31.237 5.462 0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 7 31.173 2.751 1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 7 29.979 4.053 2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 7 29.440 2.418 1.649 1.00 0.00 H new ATOM 119 N LYS A 8 27.250 2.835 -1.441 1.00 0.00 N ATOM 120 CA LYS A 8 26.154 1.832 -1.450 1.00 0.00 C ATOM 121 C LYS A 8 26.533 0.699 -2.394 1.00 0.00 C ATOM 122 O LYS A 8 27.230 0.912 -3.367 1.00 0.00 O ATOM 123 CB LYS A 8 24.936 2.586 -1.984 1.00 0.00 C ATOM 124 CG LYS A 8 24.363 3.485 -0.885 1.00 0.00 C ATOM 125 CD LYS A 8 23.025 2.916 -0.403 1.00 0.00 C ATOM 126 CE LYS A 8 22.076 4.063 -0.046 1.00 0.00 C ATOM 127 NZ LYS A 8 20.715 3.534 -0.336 1.00 0.00 N ATOM 0 H LYS A 8 27.410 3.303 -2.333 1.00 0.00 H new ATOM 0 HA LYS A 8 25.960 1.400 -0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 8 25.218 3.187 -2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 8 24.178 1.879 -2.321 1.00 0.00 H new ATOM 0 HG2 LYS A 8 25.063 3.550 -0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 8 24.224 4.497 -1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 8 22.582 2.293 -1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 8 23.182 2.277 0.466 1.00 0.00 H new ATOM 0 HE2 LYS A 8 22.175 4.347 1.002 1.00 0.00 H new ATOM 0 HE3 LYS A 8 22.289 4.952 -0.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 20.006 4.262 -0.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.649 3.278 -1.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 20.538 2.692 0.248 1.00 0.00 H new ATOM 141 N ARG A 9 26.083 -0.498 -2.137 1.00 0.00 N ATOM 142 CA ARG A 9 26.437 -1.611 -3.060 1.00 0.00 C ATOM 143 C ARG A 9 25.872 -1.284 -4.442 1.00 0.00 C ATOM 144 O ARG A 9 24.844 -0.647 -4.563 1.00 0.00 O ATOM 145 CB ARG A 9 25.775 -2.872 -2.504 1.00 0.00 C ATOM 146 CG ARG A 9 25.992 -2.972 -0.986 1.00 0.00 C ATOM 147 CD ARG A 9 24.657 -3.260 -0.292 1.00 0.00 C ATOM 148 NE ARG A 9 24.399 -4.708 -0.542 1.00 0.00 N ATOM 149 CZ ARG A 9 23.199 -5.203 -0.381 1.00 0.00 C ATOM 150 NH1 ARG A 9 22.216 -4.431 -0.003 1.00 0.00 N ATOM 151 NH2 ARG A 9 22.985 -6.473 -0.598 1.00 0.00 N ATOM 0 H ARG A 9 25.496 -0.751 -1.342 1.00 0.00 H new ATOM 0 HA ARG A 9 27.515 -1.753 -3.142 1.00 0.00 H new ATOM 0 HB2 ARG A 9 24.708 -2.856 -2.724 1.00 0.00 H new ATOM 0 HB3 ARG A 9 26.189 -3.753 -2.995 1.00 0.00 H new ATOM 0 HG2 ARG A 9 26.707 -3.763 -0.762 1.00 0.00 H new ATOM 0 HG3 ARG A 9 26.417 -2.042 -0.607 1.00 0.00 H new ATOM 0 HD2 ARG A 9 24.713 -3.047 0.776 1.00 0.00 H new ATOM 0 HD3 ARG A 9 23.858 -2.640 -0.699 1.00 0.00 H new ATOM 0 HE ARG A 9 25.162 -5.315 -0.840 1.00 0.00 H new ATOM 0 HH11 ARG A 9 22.383 -3.439 0.167 1.00 0.00 H new ATOM 0 HH12 ARG A 9 21.281 -4.820 0.122 1.00 0.00 H new ATOM 0 HH21 ARG A 9 23.753 -7.077 -0.892 1.00 0.00 H new ATOM 0 HH22 ARG A 9 22.050 -6.861 -0.473 1.00 0.00 H new ATOM 165 N ILE A 10 26.534 -1.695 -5.478 1.00 0.00 N ATOM 166 CA ILE A 10 26.041 -1.389 -6.850 1.00 0.00 C ATOM 167 C ILE A 10 25.419 -2.630 -7.491 1.00 0.00 C ATOM 168 O ILE A 10 24.232 -2.669 -7.746 1.00 0.00 O ATOM 169 CB ILE A 10 27.278 -0.918 -7.604 1.00 0.00 C ATOM 170 CG1 ILE A 10 27.624 0.488 -7.107 1.00 0.00 C ATOM 171 CG2 ILE A 10 26.990 -0.885 -9.106 1.00 0.00 C ATOM 172 CD1 ILE A 10 29.006 0.889 -7.606 1.00 0.00 C ATOM 0 H ILE A 10 27.400 -2.233 -5.439 1.00 0.00 H new ATOM 0 HA ILE A 10 25.255 -0.634 -6.857 1.00 0.00 H new ATOM 0 HB ILE A 10 28.112 -1.598 -7.429 1.00 0.00 H new ATOM 0 HG12 ILE A 10 26.879 1.201 -7.460 1.00 0.00 H new ATOM 0 HG13 ILE A 10 27.599 0.514 -6.018 1.00 0.00 H new ATOM 0 HG21 ILE A 10 27.879 -0.547 -9.640 1.00 0.00 H new ATOM 0 HG22 ILE A 10 26.720 -1.885 -9.447 1.00 0.00 H new ATOM 0 HG23 ILE A 10 26.166 -0.200 -9.303 1.00 0.00 H new ATOM 0 HD11 ILE A 10 29.245 1.890 -7.249 1.00 0.00 H new ATOM 0 HD12 ILE A 10 29.747 0.183 -7.231 1.00 0.00 H new ATOM 0 HD13 ILE A 10 29.016 0.881 -8.696 1.00 0.00 H new ATOM 184 N CYS A 11 26.198 -3.650 -7.747 1.00 0.00 N ATOM 185 CA CYS A 11 25.616 -4.880 -8.360 1.00 0.00 C ATOM 186 C CYS A 11 25.474 -5.976 -7.303 1.00 0.00 C ATOM 187 O CYS A 11 25.570 -5.724 -6.117 1.00 0.00 O ATOM 188 CB CYS A 11 26.570 -5.290 -9.494 1.00 0.00 C ATOM 189 SG CYS A 11 27.982 -6.237 -8.861 1.00 0.00 S ATOM 0 H CYS A 11 27.200 -3.684 -7.560 1.00 0.00 H new ATOM 0 HA CYS A 11 24.616 -4.706 -8.757 1.00 0.00 H new ATOM 0 HB2 CYS A 11 26.029 -5.887 -10.228 1.00 0.00 H new ATOM 0 HB3 CYS A 11 26.929 -4.399 -10.009 1.00 0.00 H new ATOM 0 HG CYS A 11 28.287 -5.817 -7.669 1.00 0.00 H new ATOM 194 N ASP A 12 25.221 -7.182 -7.724 1.00 0.00 N ATOM 195 CA ASP A 12 25.037 -8.301 -6.749 1.00 0.00 C ATOM 196 C ASP A 12 26.381 -8.924 -6.354 1.00 0.00 C ATOM 197 O ASP A 12 26.429 -10.010 -5.808 1.00 0.00 O ATOM 198 CB ASP A 12 24.170 -9.318 -7.495 1.00 0.00 C ATOM 199 CG ASP A 12 23.314 -10.096 -6.492 1.00 0.00 C ATOM 200 OD1 ASP A 12 22.225 -9.636 -6.192 1.00 0.00 O ATOM 201 OD2 ASP A 12 23.763 -11.138 -6.043 1.00 0.00 O ATOM 0 H ASP A 12 25.133 -7.446 -8.705 1.00 0.00 H new ATOM 0 HA ASP A 12 24.580 -7.961 -5.820 1.00 0.00 H new ATOM 0 HB2 ASP A 12 23.531 -8.807 -8.215 1.00 0.00 H new ATOM 0 HB3 ASP A 12 24.801 -10.004 -8.060 1.00 0.00 H new ATOM 206 N LYS A 13 27.470 -8.256 -6.627 1.00 0.00 N ATOM 207 CA LYS A 13 28.804 -8.828 -6.270 1.00 0.00 C ATOM 208 C LYS A 13 29.547 -7.938 -5.260 1.00 0.00 C ATOM 209 O LYS A 13 30.529 -8.355 -4.676 1.00 0.00 O ATOM 210 CB LYS A 13 29.577 -8.900 -7.592 1.00 0.00 C ATOM 211 CG LYS A 13 28.833 -9.797 -8.591 1.00 0.00 C ATOM 212 CD LYS A 13 28.634 -11.194 -7.991 1.00 0.00 C ATOM 213 CE LYS A 13 28.792 -12.252 -9.090 1.00 0.00 C ATOM 214 NZ LYS A 13 28.199 -13.498 -8.527 1.00 0.00 N ATOM 0 H LYS A 13 27.495 -7.342 -7.080 1.00 0.00 H new ATOM 0 HA LYS A 13 28.703 -9.804 -5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 13 29.695 -7.899 -8.008 1.00 0.00 H new ATOM 0 HB3 LYS A 13 30.579 -9.292 -7.416 1.00 0.00 H new ATOM 0 HG2 LYS A 13 27.867 -9.357 -8.838 1.00 0.00 H new ATOM 0 HG3 LYS A 13 29.398 -9.868 -9.520 1.00 0.00 H new ATOM 0 HD2 LYS A 13 29.361 -11.367 -7.198 1.00 0.00 H new ATOM 0 HD3 LYS A 13 27.645 -11.269 -7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 13 28.279 -11.950 -10.003 1.00 0.00 H new ATOM 0 HE3 LYS A 13 29.841 -12.398 -9.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 28.273 -14.264 -9.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 28.712 -13.767 -7.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 27.198 -13.333 -8.298 1.00 0.00 H new ATOM 228 N CYS A 14 29.101 -6.724 -5.037 1.00 0.00 N ATOM 229 CA CYS A 14 29.818 -5.855 -4.049 1.00 0.00 C ATOM 230 C CYS A 14 29.397 -6.215 -2.629 1.00 0.00 C ATOM 231 O CYS A 14 28.379 -6.841 -2.409 1.00 0.00 O ATOM 232 CB CYS A 14 29.428 -4.398 -4.336 1.00 0.00 C ATOM 233 SG CYS A 14 28.296 -4.302 -5.732 1.00 0.00 S ATOM 0 H CYS A 14 28.288 -6.303 -5.486 1.00 0.00 H new ATOM 0 HA CYS A 14 30.895 -5.997 -4.140 1.00 0.00 H new ATOM 0 HB2 CYS A 14 28.961 -3.961 -3.453 1.00 0.00 H new ATOM 0 HB3 CYS A 14 30.323 -3.812 -4.547 1.00 0.00 H new ATOM 0 HG CYS A 14 27.204 -4.950 -5.451 1.00 0.00 H new ATOM 238 N LYS A 15 30.166 -5.798 -1.666 1.00 0.00 N ATOM 239 CA LYS A 15 29.822 -6.080 -0.247 1.00 0.00 C ATOM 240 C LYS A 15 30.380 -4.962 0.633 1.00 0.00 C ATOM 241 O LYS A 15 31.510 -4.537 0.468 1.00 0.00 O ATOM 242 CB LYS A 15 30.466 -7.434 0.083 1.00 0.00 C ATOM 243 CG LYS A 15 31.950 -7.439 -0.312 1.00 0.00 C ATOM 244 CD LYS A 15 32.383 -8.870 -0.656 1.00 0.00 C ATOM 245 CE LYS A 15 33.512 -8.838 -1.691 1.00 0.00 C ATOM 246 NZ LYS A 15 33.498 -10.189 -2.319 1.00 0.00 N ATOM 0 H LYS A 15 31.027 -5.268 -1.802 1.00 0.00 H new ATOM 0 HA LYS A 15 28.747 -6.122 -0.074 1.00 0.00 H new ATOM 0 HB2 LYS A 15 30.367 -7.639 1.149 1.00 0.00 H new ATOM 0 HB3 LYS A 15 29.941 -8.230 -0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 15 32.112 -6.783 -1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 15 32.556 -7.051 0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 15 32.718 -9.384 0.245 1.00 0.00 H new ATOM 0 HD3 LYS A 15 31.535 -9.432 -1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 15 33.346 -8.056 -2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 15 34.473 -8.632 -1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 34.245 -10.244 -3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 33.666 -10.912 -1.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 32.573 -10.355 -2.765 1.00 0.00 H new ATOM 260 N VAL A 16 29.589 -4.469 1.549 1.00 0.00 N ATOM 261 CA VAL A 16 30.059 -3.364 2.432 1.00 0.00 C ATOM 262 C VAL A 16 30.752 -3.937 3.674 1.00 0.00 C ATOM 263 O VAL A 16 30.197 -4.757 4.379 1.00 0.00 O ATOM 264 CB VAL A 16 28.788 -2.590 2.814 1.00 0.00 C ATOM 265 CG1 VAL A 16 29.049 -1.754 4.072 1.00 0.00 C ATOM 266 CG2 VAL A 16 28.381 -1.658 1.662 1.00 0.00 C ATOM 0 H VAL A 16 28.635 -4.786 1.723 1.00 0.00 H new ATOM 0 HA VAL A 16 30.787 -2.719 1.940 1.00 0.00 H new ATOM 0 HB VAL A 16 27.985 -3.301 3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 16 28.145 -1.207 4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 16 29.331 -2.412 4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 16 29.857 -1.048 3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 16 27.479 -1.111 1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 16 29.187 -0.952 1.463 1.00 0.00 H new ATOM 0 HG23 VAL A 16 28.188 -2.249 0.767 1.00 0.00 H new ATOM 276 N ILE A 17 31.959 -3.508 3.944 1.00 0.00 N ATOM 277 CA ILE A 17 32.692 -4.025 5.143 1.00 0.00 C ATOM 278 C ILE A 17 32.483 -3.079 6.324 1.00 0.00 C ATOM 279 O ILE A 17 32.247 -1.901 6.148 1.00 0.00 O ATOM 280 CB ILE A 17 34.185 -4.052 4.763 1.00 0.00 C ATOM 281 CG1 ILE A 17 34.364 -4.241 3.249 1.00 0.00 C ATOM 282 CG2 ILE A 17 34.881 -5.202 5.497 1.00 0.00 C ATOM 283 CD1 ILE A 17 33.532 -5.429 2.767 1.00 0.00 C ATOM 0 H ILE A 17 32.469 -2.823 3.387 1.00 0.00 H new ATOM 0 HA ILE A 17 32.334 -5.014 5.429 1.00 0.00 H new ATOM 0 HB ILE A 17 34.628 -3.099 5.052 1.00 0.00 H new ATOM 0 HG12 ILE A 17 34.059 -3.336 2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 17 35.416 -4.406 3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 17 35.937 -5.220 5.227 1.00 0.00 H new ATOM 0 HG22 ILE A 17 34.784 -5.059 6.573 1.00 0.00 H new ATOM 0 HG23 ILE A 17 34.418 -6.147 5.214 1.00 0.00 H new ATOM 0 HD11 ILE A 17 33.666 -5.555 1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 17 33.857 -6.333 3.281 1.00 0.00 H new ATOM 0 HD13 ILE A 17 32.479 -5.247 2.983 1.00 0.00 H new ATOM 295 N ARG A 18 32.584 -3.583 7.523 1.00 0.00 N ATOM 296 CA ARG A 18 32.409 -2.713 8.722 1.00 0.00 C ATOM 297 C ARG A 18 33.617 -2.872 9.649 1.00 0.00 C ATOM 298 O ARG A 18 33.921 -3.957 10.108 1.00 0.00 O ATOM 299 CB ARG A 18 31.127 -3.207 9.397 1.00 0.00 C ATOM 300 CG ARG A 18 29.919 -2.824 8.536 1.00 0.00 C ATOM 301 CD ARG A 18 28.624 -3.176 9.276 1.00 0.00 C ATOM 302 NE ARG A 18 27.637 -3.483 8.200 1.00 0.00 N ATOM 303 CZ ARG A 18 26.436 -3.901 8.504 1.00 0.00 C ATOM 304 NH1 ARG A 18 26.090 -4.055 9.754 1.00 0.00 N ATOM 305 NH2 ARG A 18 25.582 -4.170 7.554 1.00 0.00 N ATOM 0 H ARG A 18 32.781 -4.563 7.725 1.00 0.00 H new ATOM 0 HA ARG A 18 32.337 -1.655 8.468 1.00 0.00 H new ATOM 0 HB2 ARG A 18 31.166 -4.288 9.529 1.00 0.00 H new ATOM 0 HB3 ARG A 18 31.033 -2.768 10.390 1.00 0.00 H new ATOM 0 HG2 ARG A 18 29.943 -1.757 8.313 1.00 0.00 H new ATOM 0 HG3 ARG A 18 29.959 -3.350 7.582 1.00 0.00 H new ATOM 0 HD2 ARG A 18 28.767 -4.031 9.937 1.00 0.00 H new ATOM 0 HD3 ARG A 18 28.286 -2.346 9.897 1.00 0.00 H new ATOM 0 HE ARG A 18 27.901 -3.366 7.222 1.00 0.00 H new ATOM 0 HH11 ARG A 18 26.758 -3.849 10.497 1.00 0.00 H new ATOM 0 HH12 ARG A 18 25.152 -4.381 9.987 1.00 0.00 H new ATOM 0 HH21 ARG A 18 25.852 -4.054 6.577 1.00 0.00 H new ATOM 0 HH22 ARG A 18 24.644 -4.496 7.788 1.00 0.00 H new ATOM 319 N ARG A 19 34.313 -1.797 9.910 1.00 0.00 N ATOM 320 CA ARG A 19 35.516 -1.868 10.792 1.00 0.00 C ATOM 321 C ARG A 19 35.462 -0.761 11.851 1.00 0.00 C ATOM 322 O ARG A 19 34.406 -0.280 12.203 1.00 0.00 O ATOM 323 CB ARG A 19 36.706 -1.656 9.847 1.00 0.00 C ATOM 324 CG ARG A 19 37.929 -2.415 10.375 1.00 0.00 C ATOM 325 CD ARG A 19 37.984 -3.804 9.730 1.00 0.00 C ATOM 326 NE ARG A 19 38.557 -4.697 10.778 1.00 0.00 N ATOM 327 CZ ARG A 19 38.279 -5.977 10.782 1.00 0.00 C ATOM 328 NH1 ARG A 19 37.502 -6.486 9.862 1.00 0.00 N ATOM 329 NH2 ARG A 19 38.784 -6.747 11.706 1.00 0.00 N ATOM 0 H ARG A 19 34.099 -0.868 9.548 1.00 0.00 H new ATOM 0 HA ARG A 19 35.584 -2.814 11.329 1.00 0.00 H new ATOM 0 HB2 ARG A 19 36.454 -2.005 8.846 1.00 0.00 H new ATOM 0 HB3 ARG A 19 36.933 -0.593 9.766 1.00 0.00 H new ATOM 0 HG2 ARG A 19 38.840 -1.861 10.149 1.00 0.00 H new ATOM 0 HG3 ARG A 19 37.873 -2.508 11.460 1.00 0.00 H new ATOM 0 HD2 ARG A 19 36.991 -4.138 9.428 1.00 0.00 H new ATOM 0 HD3 ARG A 19 38.605 -3.798 8.834 1.00 0.00 H new ATOM 0 HE ARG A 19 39.169 -4.309 11.496 1.00 0.00 H new ATOM 0 HH11 ARG A 19 37.109 -5.886 9.137 1.00 0.00 H new ATOM 0 HH12 ARG A 19 37.289 -7.483 9.869 1.00 0.00 H new ATOM 0 HH21 ARG A 19 39.393 -6.352 12.422 1.00 0.00 H new ATOM 0 HH22 ARG A 19 38.570 -7.744 11.712 1.00 0.00 H new ATOM 343 N HIS A 20 36.603 -0.365 12.355 1.00 0.00 N ATOM 344 CA HIS A 20 36.666 0.706 13.400 1.00 0.00 C ATOM 345 C HIS A 20 35.833 1.927 13.000 1.00 0.00 C ATOM 346 O HIS A 20 36.347 2.883 12.447 1.00 0.00 O ATOM 347 CB HIS A 20 38.145 1.076 13.463 1.00 0.00 C ATOM 348 CG HIS A 20 38.932 -0.084 14.016 1.00 0.00 C ATOM 349 ND1 HIS A 20 40.314 -0.058 14.122 1.00 0.00 N ATOM 350 CD2 HIS A 20 38.543 -1.310 14.498 1.00 0.00 C ATOM 351 CE1 HIS A 20 40.702 -1.234 14.650 1.00 0.00 C ATOM 352 NE2 HIS A 20 39.662 -2.033 14.899 1.00 0.00 N ATOM 0 H HIS A 20 37.510 -0.744 12.083 1.00 0.00 H new ATOM 0 HA HIS A 20 36.267 0.368 14.356 1.00 0.00 H new ATOM 0 HB2 HIS A 20 38.509 1.334 12.468 1.00 0.00 H new ATOM 0 HB3 HIS A 20 38.284 1.956 14.091 1.00 0.00 H new ATOM 0 HD2 HIS A 20 37.523 -1.660 14.557 1.00 0.00 H new ATOM 0 HE1 HIS A 20 41.730 -1.499 14.848 1.00 0.00 H new ATOM 0 HE2 HIS A 20 39.683 -2.972 15.298 1.00 0.00 H new ATOM 360 N GLY A 21 34.553 1.903 13.275 1.00 0.00 N ATOM 361 CA GLY A 21 33.682 3.057 12.908 1.00 0.00 C ATOM 362 C GLY A 21 33.870 3.384 11.427 1.00 0.00 C ATOM 363 O GLY A 21 33.475 4.435 10.961 1.00 0.00 O ATOM 0 H GLY A 21 34.074 1.131 13.739 1.00 0.00 H new ATOM 0 HA2 GLY A 21 32.638 2.817 13.109 1.00 0.00 H new ATOM 0 HA3 GLY A 21 33.933 3.925 13.518 1.00 0.00 H new ATOM 367 N ARG A 22 34.486 2.496 10.688 1.00 0.00 N ATOM 368 CA ARG A 22 34.718 2.760 9.237 1.00 0.00 C ATOM 369 C ARG A 22 34.022 1.708 8.374 1.00 0.00 C ATOM 370 O ARG A 22 34.072 0.528 8.657 1.00 0.00 O ATOM 371 CB ARG A 22 36.236 2.675 9.058 1.00 0.00 C ATOM 372 CG ARG A 22 36.851 4.064 9.243 1.00 0.00 C ATOM 373 CD ARG A 22 38.280 4.074 8.689 1.00 0.00 C ATOM 374 NE ARG A 22 38.660 5.516 8.620 1.00 0.00 N ATOM 375 CZ ARG A 22 38.945 6.182 9.712 1.00 0.00 C ATOM 376 NH1 ARG A 22 38.889 5.593 10.878 1.00 0.00 N ATOM 377 NH2 ARG A 22 39.284 7.440 9.636 1.00 0.00 N ATOM 0 H ARG A 22 34.838 1.601 11.027 1.00 0.00 H new ATOM 0 HA ARG A 22 34.318 3.727 8.932 1.00 0.00 H new ATOM 0 HB2 ARG A 22 36.660 1.979 9.782 1.00 0.00 H new ATOM 0 HB3 ARG A 22 36.475 2.289 8.067 1.00 0.00 H new ATOM 0 HG2 ARG A 22 36.246 4.811 8.729 1.00 0.00 H new ATOM 0 HG3 ARG A 22 36.858 4.331 10.300 1.00 0.00 H new ATOM 0 HD2 ARG A 22 38.958 3.518 9.337 1.00 0.00 H new ATOM 0 HD3 ARG A 22 38.325 3.607 7.705 1.00 0.00 H new ATOM 0 HE ARG A 22 38.698 5.987 7.716 1.00 0.00 H new ATOM 0 HH11 ARG A 22 38.622 4.610 10.941 1.00 0.00 H new ATOM 0 HH12 ARG A 22 39.112 6.116 11.725 1.00 0.00 H new ATOM 0 HH21 ARG A 22 39.327 7.903 8.728 1.00 0.00 H new ATOM 0 HH22 ARG A 22 39.506 7.960 10.485 1.00 0.00 H new ATOM 391 N VAL A 23 33.384 2.131 7.314 1.00 0.00 N ATOM 392 CA VAL A 23 32.693 1.162 6.412 1.00 0.00 C ATOM 393 C VAL A 23 33.394 1.147 5.048 1.00 0.00 C ATOM 394 O VAL A 23 34.125 2.057 4.706 1.00 0.00 O ATOM 395 CB VAL A 23 31.256 1.677 6.287 1.00 0.00 C ATOM 396 CG1 VAL A 23 30.432 0.718 5.427 1.00 0.00 C ATOM 397 CG2 VAL A 23 30.623 1.780 7.680 1.00 0.00 C ATOM 0 H VAL A 23 33.312 3.109 7.033 1.00 0.00 H new ATOM 0 HA VAL A 23 32.712 0.142 6.796 1.00 0.00 H new ATOM 0 HB VAL A 23 31.271 2.661 5.818 1.00 0.00 H new ATOM 0 HG11 VAL A 23 29.411 1.091 5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 23 30.876 0.647 4.434 1.00 0.00 H new ATOM 0 HG13 VAL A 23 30.421 -0.268 5.891 1.00 0.00 H new ATOM 0 HG21 VAL A 23 29.601 2.147 7.589 1.00 0.00 H new ATOM 0 HG22 VAL A 23 30.615 0.796 8.150 1.00 0.00 H new ATOM 0 HG23 VAL A 23 31.203 2.470 8.293 1.00 0.00 H new ATOM 407 N TYR A 24 33.183 0.120 4.273 1.00 0.00 N ATOM 408 CA TYR A 24 33.849 0.038 2.935 1.00 0.00 C ATOM 409 C TYR A 24 32.923 -0.607 1.904 1.00 0.00 C ATOM 410 O TYR A 24 31.832 -1.026 2.220 1.00 0.00 O ATOM 411 CB TYR A 24 35.080 -0.845 3.156 1.00 0.00 C ATOM 412 CG TYR A 24 36.197 -0.036 3.775 1.00 0.00 C ATOM 413 CD1 TYR A 24 36.265 0.122 5.166 1.00 0.00 C ATOM 414 CD2 TYR A 24 37.171 0.547 2.957 1.00 0.00 C ATOM 415 CE1 TYR A 24 37.304 0.866 5.737 1.00 0.00 C ATOM 416 CE2 TYR A 24 38.210 1.293 3.527 1.00 0.00 C ATOM 417 CZ TYR A 24 38.277 1.452 4.917 1.00 0.00 C ATOM 418 OH TYR A 24 39.300 2.187 5.480 1.00 0.00 O ATOM 0 H TYR A 24 32.579 -0.668 4.505 1.00 0.00 H new ATOM 0 HA TYR A 24 34.107 1.026 2.554 1.00 0.00 H new ATOM 0 HB2 TYR A 24 34.824 -1.682 3.805 1.00 0.00 H new ATOM 0 HB3 TYR A 24 35.409 -1.267 2.206 1.00 0.00 H new ATOM 0 HD1 TYR A 24 35.515 -0.331 5.798 1.00 0.00 H new ATOM 0 HD2 TYR A 24 37.121 0.422 1.885 1.00 0.00 H new ATOM 0 HE1 TYR A 24 37.356 0.988 6.809 1.00 0.00 H new ATOM 0 HE2 TYR A 24 38.960 1.746 2.895 1.00 0.00 H new ATOM 0 HH TYR A 24 39.889 2.523 4.773 1.00 0.00 H new ATOM 428 N VAL A 25 33.372 -0.694 0.674 1.00 0.00 N ATOM 429 CA VAL A 25 32.552 -1.325 -0.410 1.00 0.00 C ATOM 430 C VAL A 25 33.481 -1.940 -1.450 1.00 0.00 C ATOM 431 O VAL A 25 34.006 -1.250 -2.301 1.00 0.00 O ATOM 432 CB VAL A 25 31.745 -0.191 -1.050 1.00 0.00 C ATOM 433 CG1 VAL A 25 31.024 -0.708 -2.308 1.00 0.00 C ATOM 434 CG2 VAL A 25 30.714 0.321 -0.049 1.00 0.00 C ATOM 0 H VAL A 25 34.283 -0.350 0.371 1.00 0.00 H new ATOM 0 HA VAL A 25 31.901 -2.108 -0.021 1.00 0.00 H new ATOM 0 HB VAL A 25 32.420 0.618 -1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 25 30.452 0.103 -2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 25 31.759 -1.075 -3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 25 30.349 -1.519 -2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 25 30.138 1.128 -0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 25 30.043 -0.492 0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.223 0.693 0.840 1.00 0.00 H new ATOM 444 N ILE A 26 33.688 -3.223 -1.399 1.00 0.00 N ATOM 445 CA ILE A 26 34.584 -3.866 -2.398 1.00 0.00 C ATOM 446 C ILE A 26 33.779 -4.839 -3.266 1.00 0.00 C ATOM 447 O ILE A 26 32.796 -5.406 -2.828 1.00 0.00 O ATOM 448 CB ILE A 26 35.656 -4.587 -1.570 1.00 0.00 C ATOM 449 CG1 ILE A 26 34.991 -5.433 -0.475 1.00 0.00 C ATOM 450 CG2 ILE A 26 36.587 -3.550 -0.920 1.00 0.00 C ATOM 451 CD1 ILE A 26 36.037 -6.332 0.190 1.00 0.00 C ATOM 0 H ILE A 26 33.277 -3.854 -0.711 1.00 0.00 H new ATOM 0 HA ILE A 26 35.040 -3.151 -3.083 1.00 0.00 H new ATOM 0 HB ILE A 26 36.234 -5.239 -2.225 1.00 0.00 H new ATOM 0 HG12 ILE A 26 34.529 -4.784 0.269 1.00 0.00 H new ATOM 0 HG13 ILE A 26 34.195 -6.041 -0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 26 37.348 -4.063 -0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 26 37.068 -2.955 -1.697 1.00 0.00 H new ATOM 0 HG23 ILE A 26 36.006 -2.896 -0.270 1.00 0.00 H new ATOM 0 HD11 ILE A 26 35.561 -6.931 0.967 1.00 0.00 H new ATOM 0 HD12 ILE A 26 36.478 -6.991 -0.557 1.00 0.00 H new ATOM 0 HD13 ILE A 26 36.817 -5.715 0.635 1.00 0.00 H new ATOM 463 N CYS A 27 34.173 -5.015 -4.501 1.00 0.00 N ATOM 464 CA CYS A 27 33.419 -5.931 -5.413 1.00 0.00 C ATOM 465 C CYS A 27 34.366 -6.574 -6.425 1.00 0.00 C ATOM 466 O CYS A 27 35.425 -6.049 -6.711 1.00 0.00 O ATOM 467 CB CYS A 27 32.437 -5.016 -6.148 1.00 0.00 C ATOM 468 SG CYS A 27 31.342 -6.004 -7.201 1.00 0.00 S ATOM 0 H CYS A 27 34.986 -4.563 -4.919 1.00 0.00 H new ATOM 0 HA CYS A 27 32.927 -6.737 -4.869 1.00 0.00 H new ATOM 0 HB2 CYS A 27 31.848 -4.448 -5.428 1.00 0.00 H new ATOM 0 HB3 CYS A 27 32.984 -4.293 -6.754 1.00 0.00 H new ATOM 0 HG CYS A 27 30.110 -5.636 -7.011 1.00 0.00 H new ATOM 473 N GLU A 28 33.976 -7.687 -6.992 1.00 0.00 N ATOM 474 CA GLU A 28 34.836 -8.346 -8.019 1.00 0.00 C ATOM 475 C GLU A 28 35.150 -7.324 -9.113 1.00 0.00 C ATOM 476 O GLU A 28 36.240 -7.272 -9.650 1.00 0.00 O ATOM 477 CB GLU A 28 33.977 -9.490 -8.568 1.00 0.00 C ATOM 478 CG GLU A 28 34.717 -10.210 -9.699 1.00 0.00 C ATOM 479 CD GLU A 28 34.048 -11.561 -9.964 1.00 0.00 C ATOM 480 OE1 GLU A 28 33.105 -11.592 -10.739 1.00 0.00 O ATOM 481 OE2 GLU A 28 34.483 -12.540 -9.381 1.00 0.00 O ATOM 0 H GLU A 28 33.100 -8.167 -6.788 1.00 0.00 H new ATOM 0 HA GLU A 28 35.784 -8.715 -7.627 1.00 0.00 H new ATOM 0 HB2 GLU A 28 33.743 -10.195 -7.770 1.00 0.00 H new ATOM 0 HB3 GLU A 28 33.028 -9.098 -8.935 1.00 0.00 H new ATOM 0 HG2 GLU A 28 34.703 -9.601 -10.603 1.00 0.00 H new ATOM 0 HG3 GLU A 28 35.763 -10.356 -9.429 1.00 0.00 H new ATOM 488 N ASN A 29 34.188 -6.495 -9.419 1.00 0.00 N ATOM 489 CA ASN A 29 34.378 -5.441 -10.448 1.00 0.00 C ATOM 490 C ASN A 29 34.910 -4.172 -9.763 1.00 0.00 C ATOM 491 O ASN A 29 34.386 -3.758 -8.746 1.00 0.00 O ATOM 492 CB ASN A 29 32.969 -5.244 -11.019 1.00 0.00 C ATOM 493 CG ASN A 29 32.834 -3.885 -11.704 1.00 0.00 C ATOM 494 OD1 ASN A 29 33.813 -3.241 -12.023 1.00 0.00 O ATOM 495 ND2 ASN A 29 31.640 -3.427 -11.949 1.00 0.00 N ATOM 0 H ASN A 29 33.263 -6.507 -8.989 1.00 0.00 H new ATOM 0 HA ASN A 29 35.094 -5.691 -11.231 1.00 0.00 H new ATOM 0 HB2 ASN A 29 32.749 -6.037 -11.733 1.00 0.00 H new ATOM 0 HB3 ASN A 29 32.235 -5.324 -10.218 1.00 0.00 H new ATOM 0 HD21 ASN A 29 31.525 -2.525 -12.410 1.00 0.00 H new ATOM 0 HD22 ASN A 29 30.820 -3.971 -11.680 1.00 0.00 H new ATOM 502 N PRO A 30 35.950 -3.607 -10.326 1.00 0.00 N ATOM 503 CA PRO A 30 36.575 -2.391 -9.734 1.00 0.00 C ATOM 504 C PRO A 30 35.624 -1.189 -9.761 1.00 0.00 C ATOM 505 O PRO A 30 35.792 -0.242 -9.028 1.00 0.00 O ATOM 506 CB PRO A 30 37.797 -2.150 -10.620 1.00 0.00 C ATOM 507 CG PRO A 30 37.460 -2.815 -11.914 1.00 0.00 C ATOM 508 CD PRO A 30 36.634 -4.022 -11.559 1.00 0.00 C ATOM 0 HA PRO A 30 36.829 -2.524 -8.682 1.00 0.00 H new ATOM 0 HB2 PRO A 30 37.983 -1.085 -10.758 1.00 0.00 H new ATOM 0 HB3 PRO A 30 38.698 -2.576 -10.178 1.00 0.00 H new ATOM 0 HG2 PRO A 30 36.905 -2.141 -12.566 1.00 0.00 H new ATOM 0 HG3 PRO A 30 38.364 -3.105 -12.450 1.00 0.00 H new ATOM 0 HD2 PRO A 30 35.925 -4.272 -12.349 1.00 0.00 H new ATOM 0 HD3 PRO A 30 37.256 -4.903 -11.398 1.00 0.00 H new ATOM 516 N LYS A 31 34.630 -1.198 -10.590 1.00 0.00 N ATOM 517 CA LYS A 31 33.714 -0.024 -10.614 1.00 0.00 C ATOM 518 C LYS A 31 32.986 0.116 -9.267 1.00 0.00 C ATOM 519 O LYS A 31 32.405 1.146 -8.985 1.00 0.00 O ATOM 520 CB LYS A 31 32.720 -0.298 -11.747 1.00 0.00 C ATOM 521 CG LYS A 31 33.283 0.233 -13.073 1.00 0.00 C ATOM 522 CD LYS A 31 34.126 -0.851 -13.753 1.00 0.00 C ATOM 523 CE LYS A 31 34.871 -0.252 -14.950 1.00 0.00 C ATOM 524 NZ LYS A 31 36.135 0.300 -14.384 1.00 0.00 N ATOM 0 H LYS A 31 34.409 -1.949 -11.243 1.00 0.00 H new ATOM 0 HA LYS A 31 34.254 0.909 -10.776 1.00 0.00 H new ATOM 0 HB2 LYS A 31 32.530 -1.368 -11.825 1.00 0.00 H new ATOM 0 HB3 LYS A 31 31.765 0.181 -11.529 1.00 0.00 H new ATOM 0 HG2 LYS A 31 32.467 0.536 -13.729 1.00 0.00 H new ATOM 0 HG3 LYS A 31 33.892 1.119 -12.891 1.00 0.00 H new ATOM 0 HD2 LYS A 31 34.838 -1.270 -13.042 1.00 0.00 H new ATOM 0 HD3 LYS A 31 33.486 -1.669 -14.083 1.00 0.00 H new ATOM 0 HE2 LYS A 31 35.076 -1.010 -15.706 1.00 0.00 H new ATOM 0 HE3 LYS A 31 34.281 0.528 -15.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 36.699 0.728 -15.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 35.910 1.024 -13.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 36.679 -0.466 -13.939 1.00 0.00 H new ATOM 538 N HIS A 32 32.993 -0.908 -8.437 1.00 0.00 N ATOM 539 CA HIS A 32 32.265 -0.801 -7.127 1.00 0.00 C ATOM 540 C HIS A 32 33.215 -0.844 -5.916 1.00 0.00 C ATOM 541 O HIS A 32 32.760 -0.985 -4.800 1.00 0.00 O ATOM 542 CB HIS A 32 31.296 -2.002 -7.082 1.00 0.00 C ATOM 543 CG HIS A 32 30.509 -2.086 -8.366 1.00 0.00 C ATOM 544 ND1 HIS A 32 30.394 -1.211 -9.412 1.00 0.00 N flip ATOM 545 CD2 HIS A 32 29.753 -3.200 -8.732 1.00 0.00 C flip ATOM 546 CE1 HIS A 32 29.610 -1.766 -10.416 1.00 0.00 C flip ATOM 547 NE2 HIS A 32 29.245 -2.962 -9.956 1.00 0.00 N flip ATOM 0 H HIS A 32 33.463 -1.797 -8.607 1.00 0.00 H new ATOM 0 HA HIS A 32 31.748 0.156 -7.066 1.00 0.00 H new ATOM 0 HB2 HIS A 32 31.856 -2.925 -6.929 1.00 0.00 H new ATOM 0 HB3 HIS A 32 30.616 -1.898 -6.236 1.00 0.00 H new ATOM 0 HD2 HIS A 32 29.603 -4.091 -8.141 1.00 0.00 H new ATOM 0 HE1 HIS A 32 29.352 -1.323 -11.366 1.00 0.00 H new ATOM 0 HE2 HIS A 32 28.654 -3.617 -10.468 1.00 0.00 H new ATOM 555 N LYS A 33 34.515 -0.709 -6.088 1.00 0.00 N ATOM 556 CA LYS A 33 35.397 -0.735 -4.868 1.00 0.00 C ATOM 557 C LYS A 33 35.380 0.634 -4.175 1.00 0.00 C ATOM 558 O LYS A 33 36.382 1.318 -4.097 1.00 0.00 O ATOM 559 CB LYS A 33 36.832 -1.112 -5.298 1.00 0.00 C ATOM 560 CG LYS A 33 37.169 -0.606 -6.702 1.00 0.00 C ATOM 561 CD LYS A 33 36.961 0.914 -6.796 1.00 0.00 C ATOM 562 CE LYS A 33 37.545 1.442 -8.115 1.00 0.00 C ATOM 563 NZ LYS A 33 38.530 2.486 -7.715 1.00 0.00 N ATOM 0 H LYS A 33 34.989 -0.587 -6.983 1.00 0.00 H new ATOM 0 HA LYS A 33 35.027 -1.476 -4.159 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.544 -0.697 -4.584 1.00 0.00 H new ATOM 0 HB3 LYS A 33 36.945 -2.196 -5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 33 38.203 -0.852 -6.944 1.00 0.00 H new ATOM 0 HG3 LYS A 33 36.541 -1.110 -7.436 1.00 0.00 H new ATOM 0 HD2 LYS A 33 35.898 1.148 -6.739 1.00 0.00 H new ATOM 0 HD3 LYS A 33 37.442 1.408 -5.952 1.00 0.00 H new ATOM 0 HE2 LYS A 33 38.025 0.644 -8.681 1.00 0.00 H new ATOM 0 HE3 LYS A 33 36.765 1.860 -8.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 38.970 2.892 -8.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 38.044 3.237 -7.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 39.265 2.059 -7.116 1.00 0.00 H new ATOM 577 N GLN A 34 34.248 1.032 -3.652 1.00 0.00 N ATOM 578 CA GLN A 34 34.170 2.351 -2.950 1.00 0.00 C ATOM 579 C GLN A 34 34.519 2.167 -1.476 1.00 0.00 C ATOM 580 O GLN A 34 34.789 1.072 -1.022 1.00 0.00 O ATOM 581 CB GLN A 34 32.715 2.832 -3.080 1.00 0.00 C ATOM 582 CG GLN A 34 32.087 2.309 -4.371 1.00 0.00 C ATOM 583 CD GLN A 34 31.029 3.298 -4.863 1.00 0.00 C ATOM 584 OE1 GLN A 34 31.105 3.784 -5.975 1.00 0.00 O ATOM 585 NE2 GLN A 34 30.038 3.621 -4.077 1.00 0.00 N ATOM 0 H GLN A 34 33.376 0.503 -3.680 1.00 0.00 H new ATOM 0 HA GLN A 34 34.865 3.071 -3.381 1.00 0.00 H new ATOM 0 HB2 GLN A 34 32.135 2.489 -2.223 1.00 0.00 H new ATOM 0 HB3 GLN A 34 32.685 3.922 -3.070 1.00 0.00 H new ATOM 0 HG2 GLN A 34 32.855 2.174 -5.132 1.00 0.00 H new ATOM 0 HG3 GLN A 34 31.634 1.333 -4.198 1.00 0.00 H new ATOM 0 HE21 GLN A 34 29.973 3.214 -3.144 1.00 0.00 H new ATOM 0 HE22 GLN A 34 29.328 4.281 -4.396 1.00 0.00 H new ATOM 594 N ARG A 35 34.498 3.228 -0.721 1.00 0.00 N ATOM 595 CA ARG A 35 34.808 3.113 0.728 1.00 0.00 C ATOM 596 C ARG A 35 34.230 4.319 1.479 1.00 0.00 C ATOM 597 O ARG A 35 34.368 5.452 1.061 1.00 0.00 O ATOM 598 CB ARG A 35 36.344 3.041 0.813 1.00 0.00 C ATOM 599 CG ARG A 35 36.972 4.440 0.829 1.00 0.00 C ATOM 600 CD ARG A 35 37.222 4.864 2.281 1.00 0.00 C ATOM 601 NE ARG A 35 38.707 4.897 2.426 1.00 0.00 N ATOM 602 CZ ARG A 35 39.254 5.106 3.596 1.00 0.00 C ATOM 603 NH1 ARG A 35 38.503 5.308 4.645 1.00 0.00 N ATOM 604 NH2 ARG A 35 40.555 5.119 3.714 1.00 0.00 N ATOM 0 H ARG A 35 34.279 4.170 -1.046 1.00 0.00 H new ATOM 0 HA ARG A 35 34.364 2.232 1.192 1.00 0.00 H new ATOM 0 HB2 ARG A 35 36.635 2.500 1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 35 36.730 2.477 -0.036 1.00 0.00 H new ATOM 0 HG2 ARG A 35 37.909 4.437 0.272 1.00 0.00 H new ATOM 0 HG3 ARG A 35 36.311 5.154 0.338 1.00 0.00 H new ATOM 0 HD2 ARG A 35 36.784 5.840 2.488 1.00 0.00 H new ATOM 0 HD3 ARG A 35 36.773 4.159 2.981 1.00 0.00 H new ATOM 0 HE ARG A 35 39.299 4.756 1.608 1.00 0.00 H new ATOM 0 HH11 ARG A 35 37.487 5.303 4.554 1.00 0.00 H new ATOM 0 HH12 ARG A 35 38.932 5.471 5.556 1.00 0.00 H new ATOM 0 HH21 ARG A 35 41.143 4.966 2.895 1.00 0.00 H new ATOM 0 HH22 ARG A 35 40.983 5.282 4.626 1.00 0.00 H new ATOM 618 N GLN A 36 33.554 4.076 2.571 1.00 0.00 N ATOM 619 CA GLN A 36 32.944 5.203 3.341 1.00 0.00 C ATOM 620 C GLN A 36 34.016 6.232 3.711 1.00 0.00 C ATOM 621 O GLN A 36 35.073 5.889 4.207 1.00 0.00 O ATOM 622 CB GLN A 36 32.355 4.552 4.593 1.00 0.00 C ATOM 623 CG GLN A 36 31.206 5.410 5.136 1.00 0.00 C ATOM 624 CD GLN A 36 29.955 5.199 4.280 1.00 0.00 C ATOM 625 OE1 GLN A 36 29.855 5.724 3.188 1.00 0.00 O ATOM 626 NE2 GLN A 36 28.988 4.451 4.735 1.00 0.00 N ATOM 0 H GLN A 36 33.397 3.148 2.964 1.00 0.00 H new ATOM 0 HA GLN A 36 32.185 5.736 2.768 1.00 0.00 H new ATOM 0 HB2 GLN A 36 31.993 3.551 4.357 1.00 0.00 H new ATOM 0 HB3 GLN A 36 33.128 4.440 5.353 1.00 0.00 H new ATOM 0 HG2 GLN A 36 30.998 5.143 6.172 1.00 0.00 H new ATOM 0 HG3 GLN A 36 31.490 6.462 5.129 1.00 0.00 H new ATOM 0 HE21 GLN A 36 29.072 4.010 5.651 1.00 0.00 H new ATOM 0 HE22 GLN A 36 28.148 4.307 4.175 1.00 0.00 H new ATOM 635 N GLY A 37 33.753 7.490 3.464 1.00 0.00 N ATOM 636 CA GLY A 37 34.758 8.543 3.793 1.00 0.00 C ATOM 637 C GLY A 37 35.895 8.495 2.768 1.00 0.00 C ATOM 638 O GLY A 37 37.040 8.410 3.182 1.00 0.00 O ATOM 639 OXT GLY A 37 35.599 8.537 1.585 1.00 0.00 O ATOM 0 H GLY A 37 32.886 7.832 3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 37 34.287 9.526 3.786 1.00 0.00 H new ATOM 0 HA3 GLY A 37 35.151 8.386 4.797 1.00 0.00 H new