USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 709 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 91 LYS NZ :NH3+ -146:sc= 1.99 (180deg=1.23) USER MOD Set 1.2: A 94 TYR OH : rot 180:sc= 0.376 USER MOD Set 2.1: A 62 ASN : amide:sc= -4.14! C(o=-3!,f=-4!) USER MOD Set 2.2: A 84 THR OG1 : rot 48:sc= 1.1 USER MOD Set 3.1: A 17 GLN : amide:sc= 1.04 K(o=2.3,f=-8.2!) USER MOD Set 3.2: A 20 LYS NZ :NH3+ -164:sc= 1.23 (180deg=-0.353) USER MOD Single : A 11 THR OG1 : rot -2:sc= 0.745 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.418 F(o=-1.1,f=-0.42) USER MOD Single : A 40 SER OG : rot 101:sc= 1.34 USER MOD Single : A 44 SER OG : rot 116:sc= 1.28 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= 1.17 (180deg=0.255) USER MOD Single : A 49 GLN : amide:sc= 1.92! C(o=1.9!,f=-5.3!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= 0.341 K(o=0.34,f=-6.5!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN :FLIP amide:sc= -0.929 F(o=-1.6,f=-0.93) USER MOD Single : A 74 THR OG1 : rot 160:sc= -0.455 USER MOD Single : A 77 HIS : no HE2:sc= -2.88! C(o=-2.9!,f=-5.5!) USER MOD Single : A 90 LYS NZ :NH3+ -179:sc= 1.12 (180deg=1.11) USER MOD Single : A 92 LYS NZ :NH3+ -146:sc= 1.25 (180deg=1.12) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot -5:sc= 0.0848 USER MOD ----------------------------------------------------------------- ATOM 144 N THR A 11 11.625 -6.866 1.886 1.00 0.00 N ATOM 145 CA THR A 11 11.327 -8.180 1.311 1.00 0.00 C ATOM 146 C THR A 11 10.189 -8.878 2.062 1.00 0.00 C ATOM 147 O THR A 11 9.432 -8.201 2.723 1.00 0.00 O ATOM 148 CB THR A 11 12.610 -9.011 1.199 1.00 0.00 C ATOM 149 OG1 THR A 11 13.772 -8.224 1.414 1.00 0.00 O ATOM 150 CG2 THR A 11 12.722 -9.536 -0.233 1.00 0.00 C ATOM 0 HA THR A 11 10.954 -8.053 0.295 1.00 0.00 H new ATOM 0 HB THR A 11 12.553 -9.802 1.947 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.513 -7.290 1.556 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.630 -10.131 -0.333 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.855 -10.156 -0.462 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.761 -8.696 -0.927 1.00 0.00 H new ATOM 158 N ALA A 12 9.972 -10.189 1.970 1.00 0.00 N ATOM 159 CA ALA A 12 8.836 -10.843 2.637 1.00 0.00 C ATOM 160 C ALA A 12 8.961 -10.806 4.146 1.00 0.00 C ATOM 161 O ALA A 12 8.064 -10.290 4.813 1.00 0.00 O ATOM 162 CB ALA A 12 8.705 -12.284 2.129 1.00 0.00 C ATOM 0 H ALA A 12 10.567 -10.825 1.439 1.00 0.00 H new ATOM 0 HA ALA A 12 7.931 -10.289 2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.863 -12.769 2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.538 -12.276 1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.621 -12.832 2.350 1.00 0.00 H new ATOM 168 N ALA A 13 10.077 -11.292 4.681 1.00 0.00 N ATOM 169 CA ALA A 13 10.259 -11.269 6.131 1.00 0.00 C ATOM 170 C ALA A 13 10.467 -9.829 6.593 1.00 0.00 C ATOM 171 O ALA A 13 10.231 -9.478 7.753 1.00 0.00 O ATOM 172 CB ALA A 13 11.445 -12.147 6.533 1.00 0.00 C ATOM 0 H ALA A 13 10.850 -11.696 4.152 1.00 0.00 H new ATOM 0 HA ALA A 13 9.368 -11.669 6.614 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.568 -12.119 7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.262 -13.173 6.214 1.00 0.00 H new ATOM 0 HB3 ALA A 13 12.351 -11.775 6.056 1.00 0.00 H new ATOM 178 N GLU A 14 10.930 -8.983 5.676 1.00 0.00 N ATOM 179 CA GLU A 14 11.314 -7.630 5.971 1.00 0.00 C ATOM 180 C GLU A 14 10.067 -6.746 5.931 1.00 0.00 C ATOM 181 O GLU A 14 9.963 -5.829 6.738 1.00 0.00 O ATOM 182 CB GLU A 14 12.398 -7.230 4.961 1.00 0.00 C ATOM 183 CG GLU A 14 13.746 -6.909 5.621 1.00 0.00 C ATOM 184 CD GLU A 14 14.446 -8.087 6.318 1.00 0.00 C ATOM 185 OE1 GLU A 14 13.924 -9.230 6.354 1.00 0.00 O ATOM 186 OE2 GLU A 14 15.567 -7.864 6.830 1.00 0.00 O ATOM 0 H GLU A 14 11.046 -9.235 4.695 1.00 0.00 H new ATOM 0 HA GLU A 14 11.736 -7.515 6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.535 -8.040 4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.059 -6.360 4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.417 -6.511 4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.591 -6.117 6.354 1.00 0.00 H new ATOM 193 N ILE A 15 9.085 -7.042 5.077 1.00 0.00 N ATOM 194 CA ILE A 15 7.792 -6.391 5.063 1.00 0.00 C ATOM 195 C ILE A 15 7.035 -6.857 6.285 1.00 0.00 C ATOM 196 O ILE A 15 6.506 -6.010 6.993 1.00 0.00 O ATOM 197 CB ILE A 15 7.031 -6.677 3.746 1.00 0.00 C ATOM 198 CG1 ILE A 15 7.591 -5.744 2.658 1.00 0.00 C ATOM 199 CG2 ILE A 15 5.516 -6.487 3.872 1.00 0.00 C ATOM 200 CD1 ILE A 15 7.101 -6.064 1.238 1.00 0.00 C ATOM 0 H ILE A 15 9.179 -7.762 4.360 1.00 0.00 H new ATOM 0 HA ILE A 15 7.906 -5.308 5.100 1.00 0.00 H new ATOM 0 HB ILE A 15 7.184 -7.725 3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.319 -4.717 2.901 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.680 -5.798 2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.041 -6.703 2.915 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.126 -7.165 4.631 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.301 -5.458 4.160 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.543 -5.360 0.533 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.397 -7.079 0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.015 -5.981 1.201 1.00 0.00 H new ATOM 212 N GLU A 16 6.987 -8.163 6.547 1.00 0.00 N ATOM 213 CA GLU A 16 6.290 -8.655 7.727 1.00 0.00 C ATOM 214 C GLU A 16 6.775 -7.948 8.988 1.00 0.00 C ATOM 215 O GLU A 16 5.974 -7.304 9.652 1.00 0.00 O ATOM 216 CB GLU A 16 6.461 -10.163 7.863 1.00 0.00 C ATOM 217 CG GLU A 16 5.293 -10.926 7.224 1.00 0.00 C ATOM 218 CD GLU A 16 4.104 -10.990 8.185 1.00 0.00 C ATOM 219 OE1 GLU A 16 3.353 -10.005 8.321 1.00 0.00 O ATOM 220 OE2 GLU A 16 3.907 -12.035 8.854 1.00 0.00 O ATOM 0 H GLU A 16 7.415 -8.885 5.968 1.00 0.00 H new ATOM 0 HA GLU A 16 5.229 -8.436 7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.396 -10.467 7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.535 -10.427 8.918 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.994 -10.435 6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.611 -11.935 6.961 1.00 0.00 H new ATOM 227 N GLN A 17 8.066 -8.007 9.323 1.00 0.00 N ATOM 228 CA GLN A 17 8.552 -7.400 10.559 1.00 0.00 C ATOM 229 C GLN A 17 8.603 -5.883 10.417 1.00 0.00 C ATOM 230 O GLN A 17 8.518 -5.148 11.404 1.00 0.00 O ATOM 231 CB GLN A 17 9.932 -7.972 10.863 1.00 0.00 C ATOM 232 CG GLN A 17 10.489 -7.638 12.252 1.00 0.00 C ATOM 233 CD GLN A 17 9.757 -8.445 13.316 1.00 0.00 C ATOM 234 OE1 GLN A 17 8.680 -8.066 13.763 1.00 0.00 O ATOM 235 NE2 GLN A 17 10.272 -9.606 13.687 1.00 0.00 N ATOM 0 H GLN A 17 8.785 -8.464 8.761 1.00 0.00 H new ATOM 0 HA GLN A 17 7.877 -7.628 11.384 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.889 -9.056 10.758 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.632 -7.607 10.112 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.556 -7.858 12.287 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.377 -6.572 12.451 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.169 -9.911 13.308 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.772 -10.196 14.352 1.00 0.00 H new ATOM 244 N GLY A 18 8.720 -5.403 9.180 1.00 0.00 N ATOM 245 CA GLY A 18 8.759 -4.001 8.874 1.00 0.00 C ATOM 246 C GLY A 18 7.433 -3.367 9.242 1.00 0.00 C ATOM 247 O GLY A 18 7.394 -2.261 9.785 1.00 0.00 O ATOM 0 H GLY A 18 8.791 -6.001 8.357 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.569 -3.520 9.423 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.962 -3.855 7.813 1.00 0.00 H new ATOM 251 N PHE A 19 6.340 -4.076 8.961 1.00 0.00 N ATOM 252 CA PHE A 19 5.016 -3.489 8.927 1.00 0.00 C ATOM 253 C PHE A 19 4.024 -4.229 9.817 1.00 0.00 C ATOM 254 O PHE A 19 2.850 -3.865 9.857 1.00 0.00 O ATOM 255 CB PHE A 19 4.643 -3.288 7.457 1.00 0.00 C ATOM 256 CG PHE A 19 5.696 -2.435 6.753 1.00 0.00 C ATOM 257 CD1 PHE A 19 5.959 -1.123 7.187 1.00 0.00 C ATOM 258 CD2 PHE A 19 6.564 -3.019 5.820 1.00 0.00 C ATOM 259 CE1 PHE A 19 7.067 -0.410 6.699 1.00 0.00 C ATOM 260 CE2 PHE A 19 7.692 -2.326 5.350 1.00 0.00 C ATOM 261 CZ PHE A 19 7.942 -1.014 5.783 1.00 0.00 C ATOM 0 H PHE A 19 6.356 -5.074 8.751 1.00 0.00 H new ATOM 0 HA PHE A 19 4.991 -2.501 9.387 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.558 -4.255 6.961 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.668 -2.806 7.385 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.300 -0.657 7.905 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.363 -4.016 5.457 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.245 0.603 7.029 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.367 -2.803 4.655 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.801 -0.474 5.414 1.00 0.00 H new ATOM 271 N LYS A 20 4.544 -5.112 10.681 1.00 0.00 N ATOM 272 CA LYS A 20 3.939 -5.737 11.863 1.00 0.00 C ATOM 273 C LYS A 20 3.384 -4.724 12.883 1.00 0.00 C ATOM 274 O LYS A 20 2.963 -5.099 13.979 1.00 0.00 O ATOM 275 CB LYS A 20 4.985 -6.712 12.483 1.00 0.00 C ATOM 276 CG LYS A 20 4.474 -8.159 12.405 1.00 0.00 C ATOM 277 CD LYS A 20 5.496 -9.229 12.821 1.00 0.00 C ATOM 278 CE LYS A 20 5.568 -9.505 14.332 1.00 0.00 C ATOM 279 NZ LYS A 20 6.318 -8.486 15.094 1.00 0.00 N ATOM 0 H LYS A 20 5.501 -5.440 10.554 1.00 0.00 H new ATOM 0 HA LYS A 20 3.056 -6.296 11.553 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.933 -6.625 11.953 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.174 -6.441 13.522 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.593 -8.253 13.040 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.153 -8.361 11.383 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.254 -10.160 12.308 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.483 -8.921 12.475 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.554 -9.567 14.728 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.033 -10.478 14.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.557 -8.862 16.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.192 -8.245 14.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.733 -7.633 15.201 1.00 0.00 H new ATOM 293 N ASP A 21 3.336 -3.445 12.522 1.00 0.00 N ATOM 294 CA ASP A 21 2.735 -2.341 13.244 1.00 0.00 C ATOM 295 C ASP A 21 1.223 -2.389 13.031 1.00 0.00 C ATOM 296 O ASP A 21 0.468 -2.218 13.986 1.00 0.00 O ATOM 297 CB ASP A 21 3.280 -1.036 12.643 1.00 0.00 C ATOM 298 CG ASP A 21 2.868 0.189 13.458 1.00 0.00 C ATOM 299 OD1 ASP A 21 3.521 0.423 14.505 1.00 0.00 O ATOM 300 OD2 ASP A 21 1.978 0.953 13.027 1.00 0.00 O ATOM 0 H ASP A 21 3.752 -3.135 11.644 1.00 0.00 H new ATOM 0 HA ASP A 21 2.963 -2.399 14.308 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.368 -1.088 12.592 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.917 -0.929 11.621 1.00 0.00 H new ATOM 305 N VAL A 22 0.762 -2.738 11.826 1.00 0.00 N ATOM 306 CA VAL A 22 -0.638 -2.783 11.442 1.00 0.00 C ATOM 307 C VAL A 22 -1.007 -4.212 11.003 1.00 0.00 C ATOM 308 O VAL A 22 -0.113 -5.047 10.836 1.00 0.00 O ATOM 309 CB VAL A 22 -0.876 -1.747 10.319 1.00 0.00 C ATOM 310 CG1 VAL A 22 -1.791 -0.615 10.807 1.00 0.00 C ATOM 311 CG2 VAL A 22 0.369 -1.075 9.721 1.00 0.00 C ATOM 0 H VAL A 22 1.386 -3.007 11.065 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.281 -2.527 12.284 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.320 -2.355 9.531 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.945 0.102 10.001 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.752 -1.030 11.112 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.327 -0.113 11.656 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.066 -0.372 8.945 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.906 -0.541 10.505 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.020 -1.835 9.288 1.00 0.00 H new ATOM 321 N PRO A 23 -2.306 -4.533 10.833 1.00 0.00 N ATOM 322 CA PRO A 23 -2.721 -5.823 10.309 1.00 0.00 C ATOM 323 C PRO A 23 -2.472 -5.889 8.797 1.00 0.00 C ATOM 324 O PRO A 23 -2.053 -4.920 8.154 1.00 0.00 O ATOM 325 CB PRO A 23 -4.204 -5.944 10.669 1.00 0.00 C ATOM 326 CG PRO A 23 -4.683 -4.503 10.553 1.00 0.00 C ATOM 327 CD PRO A 23 -3.479 -3.693 11.037 1.00 0.00 C ATOM 0 HA PRO A 23 -2.156 -6.654 10.732 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.736 -6.606 9.986 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.348 -6.341 11.674 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.952 -4.250 9.528 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.564 -4.321 11.168 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.390 -2.760 10.480 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.588 -3.427 12.088 1.00 0.00 H new ATOM 335 N SER A 24 -2.785 -7.048 8.236 1.00 0.00 N ATOM 336 CA SER A 24 -2.563 -7.413 6.854 1.00 0.00 C ATOM 337 C SER A 24 -3.853 -7.966 6.249 1.00 0.00 C ATOM 338 O SER A 24 -4.833 -8.193 6.961 1.00 0.00 O ATOM 339 CB SER A 24 -1.427 -8.438 6.813 1.00 0.00 C ATOM 340 OG SER A 24 -1.653 -9.531 7.682 1.00 0.00 O ATOM 0 H SER A 24 -3.226 -7.798 8.768 1.00 0.00 H new ATOM 0 HA SER A 24 -2.278 -6.544 6.260 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.311 -8.806 5.794 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.491 -7.950 7.084 1.00 0.00 H new ATOM 0 HG SER A 24 -0.903 -10.159 7.620 1.00 0.00 H new ATOM 346 N PHE A 25 -3.852 -8.192 4.937 1.00 0.00 N ATOM 347 CA PHE A 25 -4.954 -8.776 4.195 1.00 0.00 C ATOM 348 C PHE A 25 -4.390 -9.783 3.195 1.00 0.00 C ATOM 349 O PHE A 25 -3.183 -9.780 2.917 1.00 0.00 O ATOM 350 CB PHE A 25 -5.678 -7.613 3.512 1.00 0.00 C ATOM 351 CG PHE A 25 -6.753 -7.977 2.511 1.00 0.00 C ATOM 352 CD1 PHE A 25 -7.999 -8.460 2.952 1.00 0.00 C ATOM 353 CD2 PHE A 25 -6.510 -7.814 1.134 1.00 0.00 C ATOM 354 CE1 PHE A 25 -8.991 -8.793 2.014 1.00 0.00 C ATOM 355 CE2 PHE A 25 -7.511 -8.120 0.203 1.00 0.00 C ATOM 356 CZ PHE A 25 -8.746 -8.631 0.641 1.00 0.00 C ATOM 0 H PHE A 25 -3.053 -7.963 4.346 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.658 -9.316 4.828 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.129 -6.992 4.285 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.934 -7.000 3.004 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.192 -8.574 4.008 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.550 -7.453 0.795 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.944 -9.174 2.350 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.334 -7.964 -0.851 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.506 -8.899 -0.079 1.00 0.00 H new ATOM 366 N VAL A 26 -5.258 -10.611 2.624 1.00 0.00 N ATOM 367 CA VAL A 26 -4.959 -11.541 1.565 1.00 0.00 C ATOM 368 C VAL A 26 -6.142 -11.498 0.598 1.00 0.00 C ATOM 369 O VAL A 26 -7.285 -11.523 1.055 1.00 0.00 O ATOM 370 CB VAL A 26 -4.685 -12.928 2.187 1.00 0.00 C ATOM 371 CG1 VAL A 26 -5.929 -13.704 2.635 1.00 0.00 C ATOM 372 CG2 VAL A 26 -3.879 -13.809 1.232 1.00 0.00 C ATOM 0 H VAL A 26 -6.237 -10.646 2.909 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.061 -11.290 1.001 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.118 -12.702 3.090 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.627 -14.663 3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.465 -13.128 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.580 -13.874 1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.700 -14.779 1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.437 -13.946 0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.924 -13.330 1.013 1.00 0.00 H new ATOM 382 N HIS A 27 -5.906 -11.418 -0.715 1.00 0.00 N ATOM 383 CA HIS A 27 -6.947 -11.723 -1.690 1.00 0.00 C ATOM 384 C HIS A 27 -6.569 -12.968 -2.482 1.00 0.00 C ATOM 385 O HIS A 27 -5.514 -13.553 -2.281 1.00 0.00 O ATOM 386 CB HIS A 27 -7.303 -10.505 -2.544 1.00 0.00 C ATOM 387 CG HIS A 27 -6.178 -9.716 -3.158 1.00 0.00 C ATOM 388 ND1 HIS A 27 -4.864 -10.075 -3.296 1.00 0.00 N flip ATOM 389 CD2 HIS A 27 -6.331 -8.472 -3.713 1.00 0.00 C flip ATOM 390 CE1 HIS A 27 -4.195 -9.019 -3.914 1.00 0.00 C flip ATOM 391 NE2 HIS A 27 -5.130 -8.090 -4.165 1.00 0.00 N flip ATOM 0 H HIS A 27 -5.010 -11.147 -1.121 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.874 -11.962 -1.169 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.953 -10.842 -3.351 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.889 -9.825 -1.926 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.249 -7.906 -3.774 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.141 -8.961 -4.143 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -4.949 -7.206 -4.640 1.00 0.00 H new ATOM 399 N GLU A 28 -7.431 -13.379 -3.395 1.00 0.00 N ATOM 400 CA GLU A 28 -7.440 -14.701 -4.022 1.00 0.00 C ATOM 401 C GLU A 28 -6.392 -14.872 -5.138 1.00 0.00 C ATOM 402 O GLU A 28 -6.474 -15.802 -5.939 1.00 0.00 O ATOM 403 CB GLU A 28 -8.862 -14.972 -4.550 1.00 0.00 C ATOM 404 CG GLU A 28 -9.219 -16.463 -4.468 1.00 0.00 C ATOM 405 CD GLU A 28 -10.301 -16.865 -5.472 1.00 0.00 C ATOM 406 OE1 GLU A 28 -11.331 -16.168 -5.592 1.00 0.00 O ATOM 407 OE2 GLU A 28 -10.104 -17.890 -6.163 1.00 0.00 O ATOM 0 H GLU A 28 -8.180 -12.778 -3.739 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.160 -15.433 -3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.582 -14.392 -3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.938 -14.635 -5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.323 -17.058 -4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.560 -16.696 -3.459 1.00 0.00 H new ATOM 414 N GLY A 29 -5.401 -13.986 -5.215 1.00 0.00 N ATOM 415 CA GLY A 29 -4.564 -13.840 -6.401 1.00 0.00 C ATOM 416 C GLY A 29 -5.365 -13.185 -7.530 1.00 0.00 C ATOM 417 O GLY A 29 -6.522 -12.795 -7.340 1.00 0.00 O ATOM 0 H GLY A 29 -5.157 -13.350 -4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.689 -13.234 -6.166 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.200 -14.816 -6.721 1.00 0.00 H new ATOM 421 N GLY A 30 -4.738 -13.049 -8.697 1.00 0.00 N ATOM 422 CA GLY A 30 -5.200 -12.172 -9.751 1.00 0.00 C ATOM 423 C GLY A 30 -4.746 -10.765 -9.392 1.00 0.00 C ATOM 424 O GLY A 30 -4.571 -10.430 -8.217 1.00 0.00 O ATOM 0 H GLY A 30 -3.884 -13.555 -8.932 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.788 -12.476 -10.713 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.285 -12.216 -9.841 1.00 0.00 H new ATOM 428 N ASP A 31 -4.488 -9.946 -10.398 1.00 0.00 N ATOM 429 CA ASP A 31 -4.235 -8.523 -10.223 1.00 0.00 C ATOM 430 C ASP A 31 -5.507 -7.785 -9.855 1.00 0.00 C ATOM 431 O ASP A 31 -6.614 -8.242 -10.141 1.00 0.00 O ATOM 432 CB ASP A 31 -3.609 -7.874 -11.445 1.00 0.00 C ATOM 433 CG ASP A 31 -4.594 -7.752 -12.608 1.00 0.00 C ATOM 434 OD1 ASP A 31 -4.750 -8.723 -13.387 1.00 0.00 O ATOM 435 OD2 ASP A 31 -5.221 -6.682 -12.763 1.00 0.00 O ATOM 0 H ASP A 31 -4.448 -10.252 -11.370 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.516 -8.447 -9.407 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.241 -6.883 -11.179 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.746 -8.460 -11.763 1.00 0.00 H new ATOM 440 N VAL A 32 -5.342 -6.665 -9.159 1.00 0.00 N ATOM 441 CA VAL A 32 -6.421 -5.981 -8.465 1.00 0.00 C ATOM 442 C VAL A 32 -5.899 -4.583 -8.239 1.00 0.00 C ATOM 443 O VAL A 32 -4.784 -4.439 -7.747 1.00 0.00 O ATOM 444 CB VAL A 32 -6.732 -6.665 -7.127 1.00 0.00 C ATOM 445 CG1 VAL A 32 -7.713 -5.876 -6.237 1.00 0.00 C ATOM 446 CG2 VAL A 32 -7.281 -8.099 -7.217 1.00 0.00 C ATOM 0 H VAL A 32 -4.439 -6.201 -9.061 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.350 -5.992 -9.036 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.737 -6.697 -6.683 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.883 -6.423 -5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.291 -4.897 -6.009 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.660 -5.749 -6.762 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.464 -8.482 -6.213 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.214 -8.097 -7.780 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.554 -8.736 -7.721 1.00 0.00 H new ATOM 456 N PRO A 33 -6.671 -3.550 -8.562 1.00 0.00 N ATOM 457 CA PRO A 33 -6.195 -2.198 -8.480 1.00 0.00 C ATOM 458 C PRO A 33 -5.986 -1.799 -7.031 1.00 0.00 C ATOM 459 O PRO A 33 -6.730 -2.199 -6.123 1.00 0.00 O ATOM 460 CB PRO A 33 -7.231 -1.369 -9.235 1.00 0.00 C ATOM 461 CG PRO A 33 -8.510 -2.159 -9.010 1.00 0.00 C ATOM 462 CD PRO A 33 -8.043 -3.608 -9.004 1.00 0.00 C ATOM 0 HA PRO A 33 -5.215 -2.046 -8.933 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.305 -0.355 -8.841 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.988 -1.282 -10.294 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.987 -1.888 -8.068 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.238 -1.976 -9.800 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.650 -4.217 -8.333 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.121 -4.053 -9.996 1.00 0.00 H new ATOM 470 N LEU A 34 -4.999 -0.923 -6.848 1.00 0.00 N ATOM 471 CA LEU A 34 -4.629 -0.375 -5.562 1.00 0.00 C ATOM 472 C LEU A 34 -5.852 0.062 -4.734 1.00 0.00 C ATOM 473 O LEU A 34 -5.979 -0.239 -3.547 1.00 0.00 O ATOM 474 CB LEU A 34 -3.486 0.639 -5.695 1.00 0.00 C ATOM 475 CG LEU A 34 -3.434 1.729 -6.785 1.00 0.00 C ATOM 476 CD1 LEU A 34 -4.704 2.044 -7.590 1.00 0.00 C ATOM 477 CD2 LEU A 34 -2.727 3.020 -6.363 1.00 0.00 C ATOM 0 H LEU A 34 -4.426 -0.572 -7.615 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.202 -1.168 -4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.425 1.159 -4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.571 0.057 -5.800 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.810 1.195 -7.502 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.491 2.833 -8.312 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.032 1.148 -8.117 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.491 2.375 -6.913 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.738 3.728 -7.191 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.243 3.454 -5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.695 2.797 -6.090 1.00 0.00 H new ATOM 489 N VAL A 35 -6.822 0.680 -5.399 1.00 0.00 N ATOM 490 CA VAL A 35 -8.025 1.276 -4.837 1.00 0.00 C ATOM 491 C VAL A 35 -9.143 0.295 -4.536 1.00 0.00 C ATOM 492 O VAL A 35 -10.115 0.669 -3.881 1.00 0.00 O ATOM 493 CB VAL A 35 -8.442 2.372 -5.812 1.00 0.00 C ATOM 494 CG1 VAL A 35 -9.063 1.874 -7.125 1.00 0.00 C ATOM 495 CG2 VAL A 35 -9.327 3.393 -5.134 1.00 0.00 C ATOM 0 H VAL A 35 -6.784 0.784 -6.413 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.806 1.679 -3.848 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.510 2.850 -6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.326 2.728 -7.750 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.345 1.246 -7.652 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.960 1.295 -6.906 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.610 4.163 -5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.224 2.903 -4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.786 3.850 -4.305 1.00 0.00 H new ATOM 505 N GLU A 36 -8.994 -0.956 -4.947 1.00 0.00 N ATOM 506 CA GLU A 36 -9.880 -2.011 -4.522 1.00 0.00 C ATOM 507 C GLU A 36 -9.155 -2.864 -3.484 1.00 0.00 C ATOM 508 O GLU A 36 -9.815 -3.302 -2.544 1.00 0.00 O ATOM 509 CB GLU A 36 -10.408 -2.792 -5.734 1.00 0.00 C ATOM 510 CG GLU A 36 -11.199 -1.907 -6.728 1.00 0.00 C ATOM 511 CD GLU A 36 -12.400 -1.168 -6.114 1.00 0.00 C ATOM 512 OE1 GLU A 36 -13.088 -1.765 -5.259 1.00 0.00 O ATOM 513 OE2 GLU A 36 -12.669 0.012 -6.469 1.00 0.00 O ATOM 0 H GLU A 36 -8.256 -1.260 -5.582 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.771 -1.610 -4.039 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.569 -3.253 -6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.050 -3.601 -5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.519 -1.172 -7.160 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.554 -2.532 -7.547 1.00 0.00 H new ATOM 520 N LEU A 37 -7.820 -3.030 -3.516 1.00 0.00 N ATOM 521 CA LEU A 37 -7.168 -3.870 -2.517 1.00 0.00 C ATOM 522 C LEU A 37 -6.978 -3.097 -1.233 1.00 0.00 C ATOM 523 O LEU A 37 -6.916 -3.739 -0.198 1.00 0.00 O ATOM 524 CB LEU A 37 -5.890 -4.545 -3.040 1.00 0.00 C ATOM 525 CG LEU A 37 -4.724 -3.660 -3.515 1.00 0.00 C ATOM 526 CD1 LEU A 37 -3.993 -2.926 -2.382 1.00 0.00 C ATOM 527 CD2 LEU A 37 -3.728 -4.557 -4.255 1.00 0.00 C ATOM 0 H LEU A 37 -7.196 -2.606 -4.202 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.828 -4.708 -2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.512 -5.192 -2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.174 -5.190 -3.871 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.143 -2.884 -4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.186 -2.324 -2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.694 -2.278 -1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.579 -3.654 -1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.888 -3.957 -4.605 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.364 -5.331 -3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.222 -5.022 -5.108 1.00 0.00 H new ATOM 539 N LEU A 38 -7.000 -1.758 -1.225 1.00 0.00 N ATOM 540 CA LEU A 38 -6.950 -1.013 0.007 1.00 0.00 C ATOM 541 C LEU A 38 -8.321 -1.037 0.685 1.00 0.00 C ATOM 542 O LEU A 38 -8.435 -0.874 1.895 1.00 0.00 O ATOM 543 CB LEU A 38 -6.420 0.423 -0.213 1.00 0.00 C ATOM 544 CG LEU A 38 -7.471 1.556 -0.112 1.00 0.00 C ATOM 545 CD1 LEU A 38 -6.812 2.917 0.088 1.00 0.00 C ATOM 546 CD2 LEU A 38 -8.461 1.542 -1.278 1.00 0.00 C ATOM 0 H LEU A 38 -7.052 -1.183 -2.066 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.237 -1.492 0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.635 0.616 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.956 0.471 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.065 1.362 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.581 3.687 0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.228 2.907 1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.156 3.131 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.176 2.356 -1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.920 1.669 -2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.993 0.591 -1.292 1.00 0.00 H new ATOM 558 N VAL A 39 -9.374 -1.140 -0.114 1.00 0.00 N ATOM 559 CA VAL A 39 -10.771 -1.021 0.281 1.00 0.00 C ATOM 560 C VAL A 39 -11.145 -2.311 0.985 1.00 0.00 C ATOM 561 O VAL A 39 -11.668 -2.292 2.095 1.00 0.00 O ATOM 562 CB VAL A 39 -11.568 -0.710 -1.013 1.00 0.00 C ATOM 563 CG1 VAL A 39 -12.556 -1.750 -1.574 1.00 0.00 C ATOM 564 CG2 VAL A 39 -12.371 0.582 -0.899 1.00 0.00 C ATOM 0 H VAL A 39 -9.270 -1.319 -1.113 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.989 -0.218 0.985 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.731 -0.673 -1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.020 -1.360 -2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.021 -2.671 -1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -13.327 -1.957 -0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.912 0.757 -1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -13.081 0.498 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.694 1.415 -0.710 1.00 0.00 H new ATOM 574 N SER A 40 -10.752 -3.398 0.335 1.00 0.00 N ATOM 575 CA SER A 40 -10.705 -4.756 0.767 1.00 0.00 C ATOM 576 C SER A 40 -9.840 -4.855 2.016 1.00 0.00 C ATOM 577 O SER A 40 -10.300 -5.375 3.028 1.00 0.00 O ATOM 578 CB SER A 40 -10.088 -5.478 -0.425 1.00 0.00 C ATOM 579 OG SER A 40 -10.948 -5.467 -1.549 1.00 0.00 O ATOM 0 H SER A 40 -10.421 -3.319 -0.626 1.00 0.00 H new ATOM 0 HA SER A 40 -11.671 -5.181 1.039 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.142 -5.004 -0.687 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.863 -6.508 -0.149 1.00 0.00 H new ATOM 0 HG SER A 40 -10.655 -4.775 -2.178 1.00 0.00 H new ATOM 585 N ALA A 41 -8.605 -4.328 1.966 1.00 0.00 N ATOM 586 CA ALA A 41 -7.700 -4.529 3.090 1.00 0.00 C ATOM 587 C ALA A 41 -7.972 -3.571 4.259 1.00 0.00 C ATOM 588 O ALA A 41 -7.426 -3.766 5.344 1.00 0.00 O ATOM 589 CB ALA A 41 -6.260 -4.492 2.593 1.00 0.00 C ATOM 0 H ALA A 41 -8.229 -3.783 1.190 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.884 -5.517 3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.581 -4.642 3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.108 -5.282 1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.059 -3.525 2.132 1.00 0.00 H new ATOM 595 N GLY A 42 -8.818 -2.549 4.080 1.00 0.00 N ATOM 596 CA GLY A 42 -9.362 -1.773 5.192 1.00 0.00 C ATOM 597 C GLY A 42 -8.475 -0.589 5.546 1.00 0.00 C ATOM 598 O GLY A 42 -8.462 -0.073 6.670 1.00 0.00 O ATOM 0 H GLY A 42 -9.141 -2.241 3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.358 -1.415 4.932 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.473 -2.417 6.064 1.00 0.00 H new ATOM 602 N ILE A 43 -7.789 -0.089 4.530 1.00 0.00 N ATOM 603 CA ILE A 43 -6.935 1.071 4.574 1.00 0.00 C ATOM 604 C ILE A 43 -7.931 2.231 4.539 1.00 0.00 C ATOM 605 O ILE A 43 -7.889 3.039 5.464 1.00 0.00 O ATOM 606 CB ILE A 43 -5.992 1.046 3.352 1.00 0.00 C ATOM 607 CG1 ILE A 43 -4.855 -0.005 3.365 1.00 0.00 C ATOM 608 CG2 ILE A 43 -5.288 2.407 3.149 1.00 0.00 C ATOM 609 CD1 ILE A 43 -5.286 -1.431 3.681 1.00 0.00 C ATOM 0 H ILE A 43 -7.820 -0.512 3.602 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.283 1.136 5.445 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.685 0.785 2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.367 0.001 2.391 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.108 0.302 4.098 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.632 2.351 2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.036 3.184 2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.698 2.647 4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.415 -2.086 3.665 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.745 -1.462 4.669 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.007 -1.767 2.936 1.00 0.00 H new ATOM 621 N SER A 44 -8.877 2.251 3.584 1.00 0.00 N ATOM 622 CA SER A 44 -9.972 3.216 3.555 1.00 0.00 C ATOM 623 C SER A 44 -11.093 2.586 2.732 1.00 0.00 C ATOM 624 O SER A 44 -10.989 2.588 1.513 1.00 0.00 O ATOM 625 CB SER A 44 -9.500 4.553 2.961 1.00 0.00 C ATOM 626 OG SER A 44 -8.986 5.370 3.994 1.00 0.00 O ATOM 0 H SER A 44 -8.897 1.590 2.808 1.00 0.00 H new ATOM 0 HA SER A 44 -10.330 3.442 4.559 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.734 4.378 2.206 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.329 5.056 2.463 1.00 0.00 H new ATOM 0 HG SER A 44 -8.031 5.528 3.841 1.00 0.00 H new ATOM 632 N PRO A 45 -12.130 1.998 3.355 1.00 0.00 N ATOM 633 CA PRO A 45 -13.159 1.240 2.643 1.00 0.00 C ATOM 634 C PRO A 45 -14.235 2.122 1.996 1.00 0.00 C ATOM 635 O PRO A 45 -15.015 1.660 1.165 1.00 0.00 O ATOM 636 CB PRO A 45 -13.785 0.346 3.711 1.00 0.00 C ATOM 637 CG PRO A 45 -13.666 1.175 4.988 1.00 0.00 C ATOM 638 CD PRO A 45 -12.345 1.919 4.794 1.00 0.00 C ATOM 0 HA PRO A 45 -12.716 0.689 1.813 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.824 0.113 3.480 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.257 -0.604 3.799 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.504 1.863 5.102 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.648 0.545 5.878 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.390 2.914 5.236 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.526 1.391 5.282 1.00 0.00 H new ATOM 646 N SER A 46 -14.324 3.388 2.399 1.00 0.00 N ATOM 647 CA SER A 46 -15.362 4.283 1.918 1.00 0.00 C ATOM 648 C SER A 46 -14.945 4.693 0.515 1.00 0.00 C ATOM 649 O SER A 46 -13.896 5.307 0.388 1.00 0.00 O ATOM 650 CB SER A 46 -15.500 5.456 2.879 1.00 0.00 C ATOM 651 OG SER A 46 -16.482 6.370 2.434 1.00 0.00 O ATOM 0 H SER A 46 -13.680 3.816 3.065 1.00 0.00 H new ATOM 0 HA SER A 46 -16.347 3.818 1.875 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.765 5.088 3.870 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.541 5.966 2.974 1.00 0.00 H new ATOM 0 HG SER A 46 -16.551 7.112 3.071 1.00 0.00 H new ATOM 657 N LYS A 47 -15.688 4.336 -0.539 1.00 0.00 N ATOM 658 CA LYS A 47 -15.193 4.402 -1.923 1.00 0.00 C ATOM 659 C LYS A 47 -14.606 5.766 -2.324 1.00 0.00 C ATOM 660 O LYS A 47 -13.606 5.802 -3.039 1.00 0.00 O ATOM 661 CB LYS A 47 -16.291 3.947 -2.909 1.00 0.00 C ATOM 662 CG LYS A 47 -15.767 2.950 -3.960 1.00 0.00 C ATOM 663 CD LYS A 47 -15.691 1.516 -3.406 1.00 0.00 C ATOM 664 CE LYS A 47 -15.075 0.565 -4.439 1.00 0.00 C ATOM 665 NZ LYS A 47 -15.238 -0.857 -4.073 1.00 0.00 N ATOM 0 H LYS A 47 -16.646 3.994 -0.460 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.352 3.711 -1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.107 3.486 -2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.704 4.820 -3.415 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -16.419 2.967 -4.833 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.778 3.262 -4.295 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.095 1.505 -2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -16.690 1.171 -3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.537 0.741 -5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.014 0.789 -4.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.541 -1.431 -4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.090 -0.971 -3.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.198 -1.172 -4.321 1.00 0.00 H new ATOM 679 N ARG A 48 -15.185 6.885 -1.866 1.00 0.00 N ATOM 680 CA ARG A 48 -14.600 8.215 -2.074 1.00 0.00 C ATOM 681 C ARG A 48 -13.234 8.281 -1.409 1.00 0.00 C ATOM 682 O ARG A 48 -12.245 8.655 -2.044 1.00 0.00 O ATOM 683 CB ARG A 48 -15.539 9.319 -1.538 1.00 0.00 C ATOM 684 CG ARG A 48 -14.995 10.753 -1.727 1.00 0.00 C ATOM 685 CD ARG A 48 -14.160 11.305 -0.551 1.00 0.00 C ATOM 686 NE ARG A 48 -13.489 12.564 -0.925 1.00 0.00 N ATOM 687 CZ ARG A 48 -12.281 12.979 -0.512 1.00 0.00 C ATOM 688 NH1 ARG A 48 -11.652 12.418 0.514 1.00 0.00 N ATOM 689 NH2 ARG A 48 -11.691 13.975 -1.157 1.00 0.00 N ATOM 0 H ARG A 48 -16.063 6.894 -1.346 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.475 8.386 -3.143 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.503 9.238 -2.041 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.718 9.146 -0.477 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.382 10.775 -2.628 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.837 11.423 -1.899 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.806 11.475 0.310 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.416 10.567 -0.251 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.993 13.181 -1.561 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.086 11.644 1.017 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -10.735 12.761 0.799 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.155 14.413 -1.953 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.773 14.304 -0.857 1.00 0.00 H new ATOM 703 N GLN A 49 -13.210 7.956 -0.113 1.00 0.00 N ATOM 704 CA GLN A 49 -11.997 8.062 0.659 1.00 0.00 C ATOM 705 C GLN A 49 -10.952 7.195 0.033 1.00 0.00 C ATOM 706 O GLN A 49 -9.874 7.686 -0.202 1.00 0.00 O ATOM 707 CB GLN A 49 -12.184 7.648 2.125 1.00 0.00 C ATOM 708 CG GLN A 49 -11.150 8.327 3.045 1.00 0.00 C ATOM 709 CD GLN A 49 -10.921 9.804 2.696 1.00 0.00 C ATOM 710 OE1 GLN A 49 -11.874 10.581 2.633 1.00 0.00 O ATOM 711 NE2 GLN A 49 -9.703 10.172 2.338 1.00 0.00 N ATOM 0 H GLN A 49 -14.019 7.620 0.409 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.697 9.110 0.658 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.190 7.911 2.452 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -12.093 6.565 2.212 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.486 8.251 4.079 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.203 7.791 2.977 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.931 9.508 2.400 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.535 11.120 2.000 1.00 0.00 H new ATOM 720 N ALA A 50 -11.310 5.956 -0.282 1.00 0.00 N ATOM 721 CA ALA A 50 -10.476 4.992 -0.952 1.00 0.00 C ATOM 722 C ALA A 50 -9.785 5.630 -2.150 1.00 0.00 C ATOM 723 O ALA A 50 -8.564 5.579 -2.272 1.00 0.00 O ATOM 724 CB ALA A 50 -11.328 3.813 -1.432 1.00 0.00 C ATOM 0 H ALA A 50 -12.236 5.588 -0.062 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.721 4.639 -0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.692 3.087 -1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.809 3.340 -0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.090 4.172 -2.124 1.00 0.00 H new ATOM 730 N ARG A 51 -10.586 6.217 -3.045 1.00 0.00 N ATOM 731 CA ARG A 51 -10.054 6.769 -4.274 1.00 0.00 C ATOM 732 C ARG A 51 -9.127 7.936 -4.005 1.00 0.00 C ATOM 733 O ARG A 51 -8.107 7.991 -4.677 1.00 0.00 O ATOM 734 CB ARG A 51 -11.190 7.032 -5.292 1.00 0.00 C ATOM 735 CG ARG A 51 -11.531 5.676 -5.938 1.00 0.00 C ATOM 736 CD ARG A 51 -12.832 5.459 -6.707 1.00 0.00 C ATOM 737 NE ARG A 51 -12.918 4.027 -7.094 1.00 0.00 N ATOM 738 CZ ARG A 51 -12.330 3.425 -8.143 1.00 0.00 C ATOM 739 NH1 ARG A 51 -11.738 4.153 -9.091 1.00 0.00 N ATOM 740 NH2 ARG A 51 -12.324 2.096 -8.242 1.00 0.00 N ATOM 0 H ARG A 51 -11.595 6.317 -2.934 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.411 6.034 -4.758 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.064 7.454 -4.796 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.873 7.751 -6.047 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.716 5.438 -6.622 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.507 4.932 -5.142 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.687 5.737 -6.091 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.858 6.093 -7.593 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.489 3.431 -6.494 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.730 5.171 -9.022 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.293 3.692 -9.885 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.767 1.529 -7.519 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.876 1.646 -9.040 1.00 0.00 H new ATOM 754 N GLU A 52 -9.355 8.768 -2.989 1.00 0.00 N ATOM 755 CA GLU A 52 -8.330 9.770 -2.661 1.00 0.00 C ATOM 756 C GLU A 52 -7.145 9.166 -1.922 1.00 0.00 C ATOM 757 O GLU A 52 -6.001 9.553 -2.148 1.00 0.00 O ATOM 758 CB GLU A 52 -8.948 10.900 -1.831 1.00 0.00 C ATOM 759 CG GLU A 52 -7.941 11.974 -1.369 1.00 0.00 C ATOM 760 CD GLU A 52 -8.627 12.875 -0.341 1.00 0.00 C ATOM 761 OE1 GLU A 52 -8.918 12.407 0.786 1.00 0.00 O ATOM 762 OE2 GLU A 52 -9.031 13.996 -0.713 1.00 0.00 O ATOM 0 H GLU A 52 -10.191 8.777 -2.404 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.953 10.169 -3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.730 11.381 -2.419 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.429 10.469 -0.953 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.060 11.504 -0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.599 12.563 -2.220 1.00 0.00 H new ATOM 769 N ASP A 53 -7.393 8.197 -1.057 1.00 0.00 N ATOM 770 CA ASP A 53 -6.398 7.484 -0.308 1.00 0.00 C ATOM 771 C ASP A 53 -5.495 6.705 -1.234 1.00 0.00 C ATOM 772 O ASP A 53 -4.398 6.349 -0.810 1.00 0.00 O ATOM 773 CB ASP A 53 -7.079 6.533 0.686 1.00 0.00 C ATOM 774 CG ASP A 53 -7.211 7.094 2.097 1.00 0.00 C ATOM 775 OD1 ASP A 53 -7.675 8.240 2.279 1.00 0.00 O ATOM 776 OD2 ASP A 53 -6.767 6.418 3.051 1.00 0.00 O ATOM 0 H ASP A 53 -8.341 7.879 -0.856 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.791 8.203 0.241 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.072 6.284 0.312 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.512 5.603 0.728 1.00 0.00 H new ATOM 781 N ILE A 54 -5.938 6.491 -2.476 1.00 0.00 N ATOM 782 CA ILE A 54 -5.117 6.027 -3.553 1.00 0.00 C ATOM 783 C ILE A 54 -4.535 7.166 -4.346 1.00 0.00 C ATOM 784 O ILE A 54 -3.338 7.134 -4.540 1.00 0.00 O ATOM 785 CB ILE A 54 -5.808 4.945 -4.416 1.00 0.00 C ATOM 786 CG1 ILE A 54 -5.087 3.619 -4.138 1.00 0.00 C ATOM 787 CG2 ILE A 54 -5.848 5.243 -5.931 1.00 0.00 C ATOM 788 CD1 ILE A 54 -5.430 3.082 -2.766 1.00 0.00 C ATOM 0 H ILE A 54 -6.909 6.646 -2.748 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.265 5.514 -3.106 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.859 4.911 -4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.363 2.887 -4.897 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.010 3.766 -4.214 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.352 4.427 -6.449 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.390 6.173 -6.105 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.831 5.340 -6.310 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.903 2.142 -2.601 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.130 3.805 -2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.505 2.912 -2.700 1.00 0.00 H new ATOM 800 N GLN A 55 -5.325 8.122 -4.837 1.00 0.00 N ATOM 801 CA GLN A 55 -4.863 9.138 -5.771 1.00 0.00 C ATOM 802 C GLN A 55 -3.916 10.126 -5.101 1.00 0.00 C ATOM 803 O GLN A 55 -3.320 10.967 -5.774 1.00 0.00 O ATOM 804 CB GLN A 55 -6.068 9.839 -6.408 1.00 0.00 C ATOM 805 CG GLN A 55 -6.721 8.901 -7.429 1.00 0.00 C ATOM 806 CD GLN A 55 -8.006 9.471 -8.022 1.00 0.00 C ATOM 807 OE1 GLN A 55 -8.974 9.747 -7.318 1.00 0.00 O ATOM 808 NE2 GLN A 55 -8.069 9.624 -9.331 1.00 0.00 N ATOM 0 H GLN A 55 -6.311 8.210 -4.593 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.290 8.654 -6.562 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.789 10.117 -5.639 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.751 10.761 -6.895 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.014 8.699 -8.234 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.940 7.947 -6.950 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.262 9.393 -9.911 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.925 9.973 -9.763 1.00 0.00 H new ATOM 817 N ASN A 56 -3.738 10.036 -3.782 1.00 0.00 N ATOM 818 CA ASN A 56 -2.742 10.826 -3.112 1.00 0.00 C ATOM 819 C ASN A 56 -1.340 10.272 -3.229 1.00 0.00 C ATOM 820 O ASN A 56 -1.068 9.136 -2.865 1.00 0.00 O ATOM 821 CB ASN A 56 -3.035 10.936 -1.605 1.00 0.00 C ATOM 822 CG ASN A 56 -4.154 11.855 -1.146 1.00 0.00 C ATOM 823 OD1 ASN A 56 -4.423 11.878 0.055 1.00 0.00 O ATOM 824 ND2 ASN A 56 -4.770 12.638 -2.016 1.00 0.00 N ATOM 0 H ASN A 56 -4.276 9.422 -3.171 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.792 11.794 -3.611 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.258 9.934 -1.237 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.118 11.260 -1.112 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.491 13.285 -1.698 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.524 12.595 -3.005 1.00 0.00 H new ATOM 831 N GLY A 57 -0.387 11.179 -3.422 1.00 0.00 N ATOM 832 CA GLY A 57 1.045 10.967 -3.253 1.00 0.00 C ATOM 833 C GLY A 57 1.470 10.795 -1.789 1.00 0.00 C ATOM 834 O GLY A 57 2.602 11.102 -1.413 1.00 0.00 O ATOM 0 H GLY A 57 -0.605 12.131 -3.716 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.342 10.082 -3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.583 11.813 -3.682 1.00 0.00 H new ATOM 838 N ALA A 58 0.544 10.325 -0.959 1.00 0.00 N ATOM 839 CA ALA A 58 0.722 9.888 0.412 1.00 0.00 C ATOM 840 C ALA A 58 0.427 8.390 0.565 1.00 0.00 C ATOM 841 O ALA A 58 0.404 7.916 1.694 1.00 0.00 O ATOM 842 CB ALA A 58 -0.145 10.757 1.334 1.00 0.00 C ATOM 0 H ALA A 58 -0.427 10.235 -1.257 1.00 0.00 H new ATOM 0 HA ALA A 58 1.765 10.017 0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.016 10.433 2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.157 11.800 1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.193 10.655 1.051 1.00 0.00 H new ATOM 848 N ILE A 59 0.156 7.636 -0.505 1.00 0.00 N ATOM 849 CA ILE A 59 0.194 6.178 -0.519 1.00 0.00 C ATOM 850 C ILE A 59 1.458 5.793 -1.304 1.00 0.00 C ATOM 851 O ILE A 59 1.544 5.793 -2.538 1.00 0.00 O ATOM 852 CB ILE A 59 -1.196 5.679 -0.912 1.00 0.00 C ATOM 853 CG1 ILE A 59 -1.389 4.173 -0.840 1.00 0.00 C ATOM 854 CG2 ILE A 59 -1.681 6.260 -2.238 1.00 0.00 C ATOM 855 CD1 ILE A 59 -0.603 3.431 -1.904 1.00 0.00 C ATOM 0 H ILE A 59 -0.102 8.037 -1.407 1.00 0.00 H new ATOM 0 HA ILE A 59 0.335 5.652 0.425 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.842 6.073 -0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.084 3.818 0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.448 3.941 -0.949 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.673 5.870 -2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.727 7.347 -2.164 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.990 5.979 -3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.778 2.360 -1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.925 3.762 -2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.460 3.637 -1.781 1.00 0.00 H new ATOM 867 N TYR A 60 2.517 5.583 -0.524 1.00 0.00 N ATOM 868 CA TYR A 60 3.744 4.985 -0.970 1.00 0.00 C ATOM 869 C TYR A 60 3.546 3.478 -1.009 1.00 0.00 C ATOM 870 O TYR A 60 3.441 2.848 0.042 1.00 0.00 O ATOM 871 CB TYR A 60 4.930 5.451 -0.113 1.00 0.00 C ATOM 872 CG TYR A 60 4.929 6.904 0.337 1.00 0.00 C ATOM 873 CD1 TYR A 60 4.351 7.304 1.559 1.00 0.00 C ATOM 874 CD2 TYR A 60 5.560 7.865 -0.464 1.00 0.00 C ATOM 875 CE1 TYR A 60 4.390 8.652 1.961 1.00 0.00 C ATOM 876 CE2 TYR A 60 5.627 9.206 -0.068 1.00 0.00 C ATOM 877 CZ TYR A 60 5.046 9.607 1.152 1.00 0.00 C ATOM 878 OH TYR A 60 5.130 10.906 1.551 1.00 0.00 O ATOM 0 H TYR A 60 2.531 5.837 0.464 1.00 0.00 H new ATOM 0 HA TYR A 60 3.998 5.310 -1.979 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.974 4.821 0.776 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.846 5.272 -0.676 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.874 6.570 2.192 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.002 7.566 -1.403 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.920 8.956 2.885 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.123 9.932 -0.696 1.00 0.00 H new ATOM 0 HH TYR A 60 5.615 11.425 0.876 1.00 0.00 H new ATOM 888 N VAL A 61 3.431 2.891 -2.196 1.00 0.00 N ATOM 889 CA VAL A 61 3.373 1.446 -2.304 1.00 0.00 C ATOM 890 C VAL A 61 4.812 1.000 -2.292 1.00 0.00 C ATOM 891 O VAL A 61 5.622 1.465 -3.090 1.00 0.00 O ATOM 892 CB VAL A 61 2.649 0.925 -3.550 1.00 0.00 C ATOM 893 CG1 VAL A 61 2.395 -0.578 -3.376 1.00 0.00 C ATOM 894 CG2 VAL A 61 1.277 1.561 -3.669 1.00 0.00 C ATOM 0 H VAL A 61 3.377 3.390 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 61 2.784 1.040 -1.481 1.00 0.00 H new ATOM 0 HB VAL A 61 3.263 1.151 -4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.880 -0.964 -4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.346 -1.096 -3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.778 -0.743 -2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.776 1.181 -4.559 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.685 1.317 -2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.383 2.643 -3.747 1.00 0.00 H new ATOM 904 N ASN A 62 5.132 0.112 -1.362 1.00 0.00 N ATOM 905 CA ASN A 62 6.461 -0.451 -1.206 1.00 0.00 C ATOM 906 C ASN A 62 7.566 0.602 -1.079 1.00 0.00 C ATOM 907 O ASN A 62 8.726 0.363 -1.409 1.00 0.00 O ATOM 908 CB ASN A 62 6.717 -1.504 -2.275 1.00 0.00 C ATOM 909 CG ASN A 62 5.940 -2.752 -1.894 1.00 0.00 C ATOM 910 OD1 ASN A 62 6.108 -3.334 -0.831 1.00 0.00 O ATOM 911 ND2 ASN A 62 4.966 -3.111 -2.696 1.00 0.00 N ATOM 0 H ASN A 62 4.460 -0.243 -0.682 1.00 0.00 H new ATOM 0 HA ASN A 62 6.495 -0.959 -0.242 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.400 -1.141 -3.253 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.782 -1.724 -2.347 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.346 -3.877 -2.434 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.829 -2.624 -3.581 1.00 0.00 H new ATOM 918 N GLY A 63 7.190 1.770 -0.570 1.00 0.00 N ATOM 919 CA GLY A 63 8.083 2.880 -0.302 1.00 0.00 C ATOM 920 C GLY A 63 8.092 3.935 -1.394 1.00 0.00 C ATOM 921 O GLY A 63 8.734 4.969 -1.201 1.00 0.00 O ATOM 0 H GLY A 63 6.220 1.972 -0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.795 3.347 0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.095 2.497 -0.171 1.00 0.00 H new ATOM 925 N GLU A 64 7.353 3.749 -2.490 1.00 0.00 N ATOM 926 CA GLU A 64 7.377 4.659 -3.617 1.00 0.00 C ATOM 927 C GLU A 64 5.970 5.203 -3.783 1.00 0.00 C ATOM 928 O GLU A 64 5.014 4.436 -3.865 1.00 0.00 O ATOM 929 CB GLU A 64 7.934 3.952 -4.854 1.00 0.00 C ATOM 930 CG GLU A 64 8.085 4.885 -6.065 1.00 0.00 C ATOM 931 CD GLU A 64 9.003 6.099 -5.871 1.00 0.00 C ATOM 932 OE1 GLU A 64 9.731 6.213 -4.862 1.00 0.00 O ATOM 933 OE2 GLU A 64 8.997 6.985 -6.757 1.00 0.00 O ATOM 0 H GLU A 64 6.722 2.957 -2.613 1.00 0.00 H new ATOM 0 HA GLU A 64 8.046 5.504 -3.455 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.905 3.521 -4.612 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.275 3.125 -5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.462 4.300 -6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.095 5.245 -6.347 1.00 0.00 H new ATOM 940 N ARG A 65 5.817 6.526 -3.735 1.00 0.00 N ATOM 941 CA ARG A 65 4.551 7.224 -3.927 1.00 0.00 C ATOM 942 C ARG A 65 3.990 6.790 -5.270 1.00 0.00 C ATOM 943 O ARG A 65 4.559 7.158 -6.296 1.00 0.00 O ATOM 944 CB ARG A 65 4.783 8.739 -3.758 1.00 0.00 C ATOM 945 CG ARG A 65 3.869 9.675 -4.562 1.00 0.00 C ATOM 946 CD ARG A 65 4.383 10.192 -5.921 1.00 0.00 C ATOM 947 NE ARG A 65 5.761 10.705 -5.870 1.00 0.00 N ATOM 948 CZ ARG A 65 6.885 10.051 -6.195 1.00 0.00 C ATOM 949 NH1 ARG A 65 6.871 8.778 -6.582 1.00 0.00 N ATOM 950 NH2 ARG A 65 8.034 10.700 -6.099 1.00 0.00 N ATOM 0 H ARG A 65 6.596 7.159 -3.556 1.00 0.00 H new ATOM 0 HA ARG A 65 3.798 6.971 -3.181 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.674 8.983 -2.701 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.816 8.957 -4.030 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.927 9.154 -4.737 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.644 10.540 -3.938 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.331 9.384 -6.651 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.722 10.984 -6.273 1.00 0.00 H new ATOM 0 HE ARG A 65 5.874 11.667 -5.551 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.987 8.272 -6.638 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.744 8.309 -6.823 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.047 11.670 -5.785 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.907 10.230 -6.339 1.00 0.00 H new ATOM 964 N LEU A 66 2.918 6.000 -5.268 1.00 0.00 N ATOM 965 CA LEU A 66 2.387 5.376 -6.468 1.00 0.00 C ATOM 966 C LEU A 66 0.865 5.413 -6.281 1.00 0.00 C ATOM 967 O LEU A 66 0.326 4.699 -5.443 1.00 0.00 O ATOM 968 CB LEU A 66 2.983 3.980 -6.638 1.00 0.00 C ATOM 969 CG LEU A 66 4.467 3.937 -7.029 1.00 0.00 C ATOM 970 CD1 LEU A 66 4.918 2.493 -6.922 1.00 0.00 C ATOM 971 CD2 LEU A 66 4.777 4.427 -8.443 1.00 0.00 C ATOM 0 H LEU A 66 2.392 5.776 -4.423 1.00 0.00 H new ATOM 0 HA LEU A 66 2.649 5.886 -7.395 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.856 3.434 -5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.410 3.449 -7.398 1.00 0.00 H new ATOM 0 HG LEU A 66 4.991 4.615 -6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.971 2.420 -7.193 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.781 2.144 -5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.326 1.876 -7.598 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.850 4.358 -8.625 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.246 3.809 -9.167 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.457 5.464 -8.547 1.00 0.00 H new ATOM 983 N GLN A 67 0.188 6.328 -6.975 1.00 0.00 N ATOM 984 CA GLN A 67 -1.175 6.777 -6.731 1.00 0.00 C ATOM 985 C GLN A 67 -2.056 6.707 -7.979 1.00 0.00 C ATOM 986 O GLN A 67 -2.776 7.656 -8.291 1.00 0.00 O ATOM 987 CB GLN A 67 -1.122 8.189 -6.078 1.00 0.00 C ATOM 988 CG GLN A 67 -0.633 9.421 -6.831 1.00 0.00 C ATOM 989 CD GLN A 67 0.447 9.187 -7.879 1.00 0.00 C ATOM 990 OE1 GLN A 67 1.646 8.804 -7.472 1.00 0.00 O flip ATOM 991 NE2 GLN A 67 0.203 9.333 -9.074 1.00 0.00 N flip ATOM 0 H GLN A 67 0.608 6.804 -7.774 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.662 6.094 -6.034 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.133 8.413 -5.736 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.498 8.098 -5.189 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.489 9.885 -7.320 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.254 10.139 -6.103 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.726 9.629 -9.372 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.930 9.158 -9.768 1.00 0.00 H new ATOM 1000 N ASP A 68 -1.991 5.599 -8.719 1.00 0.00 N ATOM 1001 CA ASP A 68 -2.785 5.374 -9.919 1.00 0.00 C ATOM 1002 C ASP A 68 -2.975 3.873 -10.167 1.00 0.00 C ATOM 1003 O ASP A 68 -2.136 3.074 -9.751 1.00 0.00 O ATOM 1004 CB ASP A 68 -2.017 6.010 -11.074 1.00 0.00 C ATOM 1005 CG ASP A 68 -2.928 6.219 -12.269 1.00 0.00 C ATOM 1006 OD1 ASP A 68 -3.836 7.080 -12.176 1.00 0.00 O ATOM 1007 OD2 ASP A 68 -2.738 5.519 -13.284 1.00 0.00 O ATOM 0 H ASP A 68 -1.372 4.820 -8.493 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.778 5.812 -9.817 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.598 6.965 -10.757 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.179 5.372 -11.356 1.00 0.00 H new ATOM 1012 N VAL A 69 -4.044 3.465 -10.852 1.00 0.00 N ATOM 1013 CA VAL A 69 -4.264 2.090 -11.322 1.00 0.00 C ATOM 1014 C VAL A 69 -3.180 1.709 -12.329 1.00 0.00 C ATOM 1015 O VAL A 69 -2.650 0.604 -12.268 1.00 0.00 O ATOM 1016 CB VAL A 69 -5.685 1.966 -11.864 1.00 0.00 C ATOM 1017 CG1 VAL A 69 -6.026 0.621 -12.510 1.00 0.00 C ATOM 1018 CG2 VAL A 69 -6.751 2.267 -10.792 1.00 0.00 C ATOM 0 H VAL A 69 -4.804 4.097 -11.104 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.179 1.376 -10.503 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.706 2.720 -12.651 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.058 0.637 -12.862 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.358 0.442 -13.353 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.905 -0.176 -11.776 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.745 2.165 -11.228 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.644 1.565 -9.965 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.619 3.284 -10.423 1.00 0.00 H new ATOM 1028 N GLY A 70 -2.765 2.640 -13.191 1.00 0.00 N ATOM 1029 CA GLY A 70 -1.625 2.437 -14.066 1.00 0.00 C ATOM 1030 C GLY A 70 -0.290 2.505 -13.333 1.00 0.00 C ATOM 1031 O GLY A 70 0.751 2.379 -13.981 1.00 0.00 O ATOM 0 H GLY A 70 -3.213 3.550 -13.296 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.716 1.466 -14.553 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.640 3.191 -14.853 1.00 0.00 H new ATOM 1035 N ALA A 71 -0.286 2.778 -12.026 1.00 0.00 N ATOM 1036 CA ALA A 71 0.880 2.678 -11.162 1.00 0.00 C ATOM 1037 C ALA A 71 0.982 1.292 -10.520 1.00 0.00 C ATOM 1038 O ALA A 71 2.028 0.659 -10.677 1.00 0.00 O ATOM 1039 CB ALA A 71 0.978 3.838 -10.167 1.00 0.00 C ATOM 0 H ALA A 71 -1.123 3.084 -11.530 1.00 0.00 H new ATOM 0 HA ALA A 71 1.765 2.782 -11.789 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.866 3.712 -9.548 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.046 4.780 -10.712 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.092 3.849 -9.532 1.00 0.00 H new ATOM 1045 N ILE A 72 -0.023 0.793 -9.777 1.00 0.00 N ATOM 1046 CA ILE A 72 0.028 -0.535 -9.189 1.00 0.00 C ATOM 1047 C ILE A 72 -1.329 -1.217 -9.259 1.00 0.00 C ATOM 1048 O ILE A 72 -2.368 -0.582 -9.056 1.00 0.00 O ATOM 1049 CB ILE A 72 0.444 -0.509 -7.718 1.00 0.00 C ATOM 1050 CG1 ILE A 72 1.338 0.667 -7.318 1.00 0.00 C ATOM 1051 CG2 ILE A 72 1.150 -1.825 -7.327 1.00 0.00 C ATOM 1052 CD1 ILE A 72 0.473 1.857 -6.878 1.00 0.00 C ATOM 0 H ILE A 72 -0.882 1.304 -9.575 1.00 0.00 H new ATOM 0 HA ILE A 72 0.771 -1.082 -9.769 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.492 -0.386 -7.173 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.003 0.370 -6.507 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.970 0.957 -8.158 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.438 -1.785 -6.276 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.471 -2.663 -7.486 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.040 -1.957 -7.942 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.117 2.690 -6.595 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.173 2.161 -7.701 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.140 1.566 -6.025 1.00 0.00 H new ATOM 1064 N LEU A 73 -1.283 -2.540 -9.389 1.00 0.00 N ATOM 1065 CA LEU A 73 -2.380 -3.419 -9.147 1.00 0.00 C ATOM 1066 C LEU A 73 -1.921 -4.187 -7.900 1.00 0.00 C ATOM 1067 O LEU A 73 -2.030 -3.633 -6.807 1.00 0.00 O ATOM 1068 CB LEU A 73 -2.755 -4.156 -10.431 1.00 0.00 C ATOM 1069 CG LEU A 73 -3.097 -3.135 -11.552 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -3.268 -3.864 -12.867 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -4.361 -2.316 -11.312 1.00 0.00 C ATOM 0 H LEU A 73 -0.437 -3.031 -9.679 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.352 -2.986 -8.913 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.930 -4.793 -10.748 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.609 -4.808 -10.249 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.260 -2.437 -11.563 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.508 -3.147 -13.652 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.343 -4.382 -13.119 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.077 -4.589 -12.779 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.516 -1.633 -12.147 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.217 -2.985 -11.227 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.254 -1.744 -10.390 1.00 0.00 H new ATOM 1083 N THR A 74 -1.284 -5.351 -8.025 1.00 0.00 N ATOM 1084 CA THR A 74 -1.014 -6.259 -6.907 1.00 0.00 C ATOM 1085 C THR A 74 0.449 -6.348 -6.457 1.00 0.00 C ATOM 1086 O THR A 74 1.305 -5.565 -6.864 1.00 0.00 O ATOM 1087 CB THR A 74 -1.574 -7.633 -7.284 1.00 0.00 C ATOM 1088 OG1 THR A 74 -1.372 -7.892 -8.655 1.00 0.00 O ATOM 1089 CG2 THR A 74 -3.045 -7.621 -6.896 1.00 0.00 C ATOM 0 H THR A 74 -0.935 -5.696 -8.919 1.00 0.00 H new ATOM 0 HA THR A 74 -1.510 -5.847 -6.028 1.00 0.00 H new ATOM 0 HB THR A 74 -1.063 -8.439 -6.758 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.430 -8.857 -8.818 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.495 -8.582 -7.145 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.137 -7.444 -5.825 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.558 -6.829 -7.440 1.00 0.00 H new ATOM 1097 N ALA A 75 0.743 -7.315 -5.580 1.00 0.00 N ATOM 1098 CA ALA A 75 2.073 -7.605 -5.086 1.00 0.00 C ATOM 1099 C ALA A 75 3.072 -7.913 -6.184 1.00 0.00 C ATOM 1100 O ALA A 75 4.144 -7.321 -6.175 1.00 0.00 O ATOM 1101 CB ALA A 75 2.001 -8.776 -4.098 1.00 0.00 C ATOM 0 H ALA A 75 0.031 -7.931 -5.188 1.00 0.00 H new ATOM 0 HA ALA A 75 2.433 -6.704 -4.591 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.000 -8.998 -3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.352 -8.509 -3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.600 -9.654 -4.603 1.00 0.00 H new ATOM 1107 N GLU A 76 2.741 -8.817 -7.105 1.00 0.00 N ATOM 1108 CA GLU A 76 3.564 -9.137 -8.277 1.00 0.00 C ATOM 1109 C GLU A 76 3.665 -7.937 -9.227 1.00 0.00 C ATOM 1110 O GLU A 76 4.583 -7.847 -10.040 1.00 0.00 O ATOM 1111 CB GLU A 76 2.984 -10.414 -8.916 1.00 0.00 C ATOM 1112 CG GLU A 76 3.174 -10.613 -10.432 1.00 0.00 C ATOM 1113 CD GLU A 76 2.125 -11.550 -11.034 1.00 0.00 C ATOM 1114 OE1 GLU A 76 0.915 -11.374 -10.760 1.00 0.00 O ATOM 1115 OE2 GLU A 76 2.489 -12.423 -11.856 1.00 0.00 O ATOM 0 H GLU A 76 1.878 -9.359 -7.059 1.00 0.00 H new ATOM 0 HA GLU A 76 4.598 -9.341 -7.998 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.425 -11.272 -8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.914 -10.436 -8.708 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.123 -9.646 -10.932 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.169 -11.017 -10.621 1.00 0.00 H new ATOM 1122 N HIS A 77 2.761 -6.971 -9.089 1.00 0.00 N ATOM 1123 CA HIS A 77 2.801 -5.740 -9.851 1.00 0.00 C ATOM 1124 C HIS A 77 3.696 -4.697 -9.153 1.00 0.00 C ATOM 1125 O HIS A 77 3.943 -3.631 -9.728 1.00 0.00 O ATOM 1126 CB HIS A 77 1.364 -5.267 -10.034 1.00 0.00 C ATOM 1127 CG HIS A 77 1.179 -4.236 -11.103 1.00 0.00 C ATOM 1128 ND1 HIS A 77 1.601 -2.937 -11.015 1.00 0.00 N ATOM 1129 CD2 HIS A 77 0.299 -4.320 -12.140 1.00 0.00 C ATOM 1130 CE1 HIS A 77 0.900 -2.218 -11.899 1.00 0.00 C ATOM 1131 NE2 HIS A 77 0.141 -3.027 -12.650 1.00 0.00 N ATOM 0 H HIS A 77 1.977 -7.027 -8.439 1.00 0.00 H new ATOM 0 HA HIS A 77 3.247 -5.897 -10.833 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.738 -6.129 -10.267 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.006 -4.859 -9.089 1.00 0.00 H new ATOM 0 HD1 HIS A 77 2.322 -2.581 -10.387 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.185 -5.216 -12.500 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.940 -1.143 -11.993 1.00 0.00 H new ATOM 1139 N ARG A 78 4.210 -4.955 -7.939 1.00 0.00 N ATOM 1140 CA ARG A 78 5.096 -4.022 -7.242 1.00 0.00 C ATOM 1141 C ARG A 78 6.449 -4.667 -6.979 1.00 0.00 C ATOM 1142 O ARG A 78 7.445 -4.167 -7.498 1.00 0.00 O ATOM 1143 CB ARG A 78 4.452 -3.448 -5.973 1.00 0.00 C ATOM 1144 CG ARG A 78 4.685 -1.935 -5.762 1.00 0.00 C ATOM 1145 CD ARG A 78 6.074 -1.323 -6.058 1.00 0.00 C ATOM 1146 NE ARG A 78 6.271 -1.027 -7.488 1.00 0.00 N ATOM 1147 CZ ARG A 78 7.443 -0.907 -8.130 1.00 0.00 C ATOM 1148 NH1 ARG A 78 8.595 -0.782 -7.475 1.00 0.00 N ATOM 1149 NH2 ARG A 78 7.451 -0.906 -9.457 1.00 0.00 N ATOM 0 H ARG A 78 4.021 -5.812 -7.420 1.00 0.00 H new ATOM 0 HA ARG A 78 5.266 -3.165 -7.894 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.379 -3.636 -6.009 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.841 -3.986 -5.109 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.958 -1.405 -6.378 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.446 -1.711 -4.722 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.193 -0.406 -5.481 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.849 -2.012 -5.724 1.00 0.00 H new ATOM 0 HE ARG A 78 5.428 -0.900 -8.048 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.604 -0.776 -6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.469 -0.693 -7.993 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.575 -0.996 -9.972 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.333 -0.816 -9.962 1.00 0.00 H new ATOM 1163 N LEU A 79 6.526 -5.718 -6.156 1.00 0.00 N ATOM 1164 CA LEU A 79 7.665 -6.600 -6.085 1.00 0.00 C ATOM 1165 C LEU A 79 7.493 -7.671 -7.167 1.00 0.00 C ATOM 1166 O LEU A 79 6.465 -7.710 -7.831 1.00 0.00 O ATOM 1167 CB LEU A 79 7.761 -7.221 -4.680 1.00 0.00 C ATOM 1168 CG LEU A 79 6.645 -7.115 -3.636 1.00 0.00 C ATOM 1169 CD1 LEU A 79 6.951 -8.128 -2.529 1.00 0.00 C ATOM 1170 CD2 LEU A 79 6.615 -5.751 -2.957 1.00 0.00 C ATOM 0 H LEU A 79 5.776 -5.973 -5.513 1.00 0.00 H new ATOM 0 HA LEU A 79 8.594 -6.057 -6.259 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.946 -8.285 -4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.655 -6.802 -4.219 1.00 0.00 H new ATOM 0 HG LEU A 79 5.696 -7.287 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.174 -8.079 -1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.981 -9.132 -2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.916 -7.895 -2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.807 -5.726 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.565 -5.574 -2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.451 -4.976 -3.705 1.00 0.00 H new ATOM 1182 N GLU A 80 8.454 -8.587 -7.311 1.00 0.00 N ATOM 1183 CA GLU A 80 8.307 -9.746 -8.194 1.00 0.00 C ATOM 1184 C GLU A 80 7.070 -10.589 -7.841 1.00 0.00 C ATOM 1185 O GLU A 80 6.509 -11.255 -8.709 1.00 0.00 O ATOM 1186 CB GLU A 80 9.583 -10.600 -8.164 1.00 0.00 C ATOM 1187 CG GLU A 80 9.820 -11.313 -6.825 1.00 0.00 C ATOM 1188 CD GLU A 80 11.084 -12.183 -6.862 1.00 0.00 C ATOM 1189 OE1 GLU A 80 12.205 -11.690 -6.586 1.00 0.00 O ATOM 1190 OE2 GLU A 80 10.953 -13.397 -7.148 1.00 0.00 O ATOM 0 H GLU A 80 9.349 -8.547 -6.823 1.00 0.00 H new ATOM 0 HA GLU A 80 8.156 -9.374 -9.207 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.529 -11.345 -8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.440 -9.963 -8.383 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.910 -10.573 -6.030 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.957 -11.935 -6.586 1.00 0.00 H new ATOM 1197 N GLY A 81 6.630 -10.538 -6.576 1.00 0.00 N ATOM 1198 CA GLY A 81 5.379 -11.089 -6.121 1.00 0.00 C ATOM 1199 C GLY A 81 5.499 -11.852 -4.818 1.00 0.00 C ATOM 1200 O GLY A 81 5.566 -13.078 -4.833 1.00 0.00 O ATOM 0 H GLY A 81 7.164 -10.094 -5.829 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.658 -10.281 -5.996 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.982 -11.754 -6.888 1.00 0.00 H new ATOM 1204 N ARG A 82 5.448 -11.148 -3.686 1.00 0.00 N ATOM 1205 CA ARG A 82 5.291 -11.768 -2.370 1.00 0.00 C ATOM 1206 C ARG A 82 4.143 -11.053 -1.671 1.00 0.00 C ATOM 1207 O ARG A 82 3.004 -11.493 -1.748 1.00 0.00 O ATOM 1208 CB ARG A 82 6.608 -11.775 -1.550 1.00 0.00 C ATOM 1209 CG ARG A 82 7.826 -12.406 -2.240 1.00 0.00 C ATOM 1210 CD ARG A 82 7.694 -13.927 -2.404 1.00 0.00 C ATOM 1211 NE ARG A 82 7.860 -14.367 -3.791 1.00 0.00 N ATOM 1212 CZ ARG A 82 8.939 -14.309 -4.569 1.00 0.00 C ATOM 1213 NH1 ARG A 82 10.108 -13.882 -4.101 1.00 0.00 N ATOM 1214 NH2 ARG A 82 8.826 -14.661 -5.841 1.00 0.00 N ATOM 0 H ARG A 82 5.515 -10.131 -3.656 1.00 0.00 H new ATOM 0 HA ARG A 82 5.050 -12.826 -2.475 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.856 -10.746 -1.289 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.428 -12.307 -0.616 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.959 -11.949 -3.221 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.722 -12.184 -1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.439 -14.421 -1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.715 -14.243 -2.043 1.00 0.00 H new ATOM 0 HE ARG A 82 7.031 -14.776 -4.222 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.192 -13.590 -3.127 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.921 -13.846 -4.716 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.925 -14.969 -6.207 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.640 -14.624 -6.455 1.00 0.00 H new ATOM 1228 N PHE A 83 4.438 -9.910 -1.060 1.00 0.00 N ATOM 1229 CA PHE A 83 3.523 -9.057 -0.318 1.00 0.00 C ATOM 1230 C PHE A 83 3.492 -7.688 -0.996 1.00 0.00 C ATOM 1231 O PHE A 83 3.961 -7.527 -2.121 1.00 0.00 O ATOM 1232 CB PHE A 83 4.027 -8.928 1.130 1.00 0.00 C ATOM 1233 CG PHE A 83 4.002 -10.193 1.956 1.00 0.00 C ATOM 1234 CD1 PHE A 83 5.044 -11.130 1.837 1.00 0.00 C ATOM 1235 CD2 PHE A 83 2.959 -10.414 2.877 1.00 0.00 C ATOM 1236 CE1 PHE A 83 5.031 -12.293 2.618 1.00 0.00 C ATOM 1237 CE2 PHE A 83 2.982 -11.547 3.704 1.00 0.00 C ATOM 1238 CZ PHE A 83 4.019 -12.483 3.566 1.00 0.00 C ATOM 0 H PHE A 83 5.385 -9.532 -1.072 1.00 0.00 H new ATOM 0 HA PHE A 83 2.518 -9.479 -0.304 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.051 -8.554 1.105 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.425 -8.175 1.637 1.00 0.00 H new ATOM 0 HD1 PHE A 83 5.853 -10.953 1.144 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.142 -9.711 2.946 1.00 0.00 H new ATOM 0 HE1 PHE A 83 5.800 -13.041 2.489 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.208 -11.698 4.441 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.036 -13.359 4.198 1.00 0.00 H new ATOM 1248 N THR A 84 2.957 -6.673 -0.334 1.00 0.00 N ATOM 1249 CA THR A 84 3.156 -5.285 -0.690 1.00 0.00 C ATOM 1250 C THR A 84 2.870 -4.447 0.564 1.00 0.00 C ATOM 1251 O THR A 84 1.903 -4.727 1.280 1.00 0.00 O ATOM 1252 CB THR A 84 2.223 -4.975 -1.876 1.00 0.00 C ATOM 1253 OG1 THR A 84 3.022 -5.133 -3.022 1.00 0.00 O ATOM 1254 CG2 THR A 84 1.604 -3.579 -1.910 1.00 0.00 C ATOM 0 H THR A 84 2.360 -6.799 0.483 1.00 0.00 H new ATOM 0 HA THR A 84 4.172 -5.053 -1.010 1.00 0.00 H new ATOM 0 HB THR A 84 1.366 -5.644 -1.801 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.514 -5.978 -2.964 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.969 -3.484 -2.791 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.005 -3.425 -1.012 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.396 -2.831 -1.951 1.00 0.00 H new ATOM 1262 N VAL A 85 3.686 -3.421 0.824 1.00 0.00 N ATOM 1263 CA VAL A 85 3.373 -2.379 1.800 1.00 0.00 C ATOM 1264 C VAL A 85 2.498 -1.341 1.112 1.00 0.00 C ATOM 1265 O VAL A 85 2.796 -0.913 -0.004 1.00 0.00 O ATOM 1266 CB VAL A 85 4.642 -1.674 2.328 1.00 0.00 C ATOM 1267 CG1 VAL A 85 4.363 -0.835 3.591 1.00 0.00 C ATOM 1268 CG2 VAL A 85 5.742 -2.669 2.660 1.00 0.00 C ATOM 0 H VAL A 85 4.585 -3.292 0.360 1.00 0.00 H new ATOM 0 HA VAL A 85 2.870 -2.843 2.649 1.00 0.00 H new ATOM 0 HB VAL A 85 4.965 -1.017 1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.286 -0.360 3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.622 -0.069 3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.984 -1.483 4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.618 -2.134 3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.389 -3.359 3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.009 -3.229 1.764 1.00 0.00 H new ATOM 1278 N ILE A 86 1.490 -0.853 1.821 1.00 0.00 N ATOM 1279 CA ILE A 86 0.688 0.299 1.469 1.00 0.00 C ATOM 1280 C ILE A 86 0.947 1.330 2.532 1.00 0.00 C ATOM 1281 O ILE A 86 0.312 1.316 3.584 1.00 0.00 O ATOM 1282 CB ILE A 86 -0.790 -0.105 1.426 1.00 0.00 C ATOM 1283 CG1 ILE A 86 -1.076 -1.002 0.201 1.00 0.00 C ATOM 1284 CG2 ILE A 86 -1.713 1.126 1.367 1.00 0.00 C ATOM 1285 CD1 ILE A 86 -0.908 -0.252 -1.133 1.00 0.00 C ATOM 0 H ILE A 86 1.198 -1.276 2.702 1.00 0.00 H new ATOM 0 HA ILE A 86 0.941 0.697 0.486 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.995 -0.656 2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.404 -1.860 0.219 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.092 -1.391 0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.753 0.800 1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.551 1.745 2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.489 1.706 0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.121 -0.929 -1.960 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.599 0.590 -1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.115 0.114 -1.218 1.00 0.00 H new ATOM 1297 N ARG A 87 1.888 2.229 2.279 1.00 0.00 N ATOM 1298 CA ARG A 87 2.306 3.199 3.268 1.00 0.00 C ATOM 1299 C ARG A 87 1.416 4.408 3.021 1.00 0.00 C ATOM 1300 O ARG A 87 1.834 5.380 2.401 1.00 0.00 O ATOM 1301 CB ARG A 87 3.823 3.424 3.115 1.00 0.00 C ATOM 1302 CG ARG A 87 4.494 4.138 4.288 1.00 0.00 C ATOM 1303 CD ARG A 87 5.938 4.567 4.000 1.00 0.00 C ATOM 1304 NE ARG A 87 6.938 3.506 4.228 1.00 0.00 N ATOM 1305 CZ ARG A 87 7.477 3.168 5.408 1.00 0.00 C ATOM 1306 NH1 ARG A 87 6.964 3.610 6.555 1.00 0.00 N ATOM 1307 NH2 ARG A 87 8.543 2.382 5.420 1.00 0.00 N ATOM 0 H ARG A 87 2.377 2.302 1.387 1.00 0.00 H new ATOM 0 HA ARG A 87 2.184 2.901 4.309 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.306 2.457 2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.999 4.003 2.208 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.908 5.019 4.550 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.486 3.479 5.156 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.007 4.900 2.964 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.183 5.424 4.628 1.00 0.00 H new ATOM 0 HE ARG A 87 7.248 2.980 3.411 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.145 4.218 6.547 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.390 3.340 7.442 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.939 2.046 4.542 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.968 2.113 6.307 1.00 0.00 H new ATOM 1321 N ARG A 88 0.151 4.318 3.434 1.00 0.00 N ATOM 1322 CA ARG A 88 -0.804 5.404 3.374 1.00 0.00 C ATOM 1323 C ARG A 88 -0.461 6.289 4.569 1.00 0.00 C ATOM 1324 O ARG A 88 -0.957 6.042 5.663 1.00 0.00 O ATOM 1325 CB ARG A 88 -2.240 4.831 3.417 1.00 0.00 C ATOM 1326 CG ARG A 88 -3.361 5.880 3.551 1.00 0.00 C ATOM 1327 CD ARG A 88 -3.334 6.948 2.453 1.00 0.00 C ATOM 1328 NE ARG A 88 -4.405 7.944 2.641 1.00 0.00 N ATOM 1329 CZ ARG A 88 -4.452 9.177 2.114 1.00 0.00 C ATOM 1330 NH1 ARG A 88 -3.393 9.684 1.507 1.00 0.00 N ATOM 1331 NH2 ARG A 88 -5.549 9.919 2.171 1.00 0.00 N ATOM 0 H ARG A 88 -0.239 3.462 3.828 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.757 5.987 2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.411 4.254 2.508 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.312 4.137 4.254 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.326 5.373 3.530 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.278 6.367 4.523 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.366 7.449 2.455 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.445 6.472 1.479 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.189 7.668 3.231 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.535 9.137 1.437 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.434 10.622 1.108 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -6.387 9.556 2.625 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.555 10.853 1.761 1.00 0.00 H new ATOM 1345 N GLY A 89 0.383 7.305 4.387 1.00 0.00 N ATOM 1346 CA GLY A 89 0.877 8.187 5.443 1.00 0.00 C ATOM 1347 C GLY A 89 -0.236 8.781 6.310 1.00 0.00 C ATOM 1348 O GLY A 89 -0.068 8.960 7.512 1.00 0.00 O ATOM 0 H GLY A 89 0.754 7.544 3.468 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.565 7.630 6.079 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.447 8.998 4.991 1.00 0.00 H new ATOM 1352 N LYS A 90 -1.419 9.037 5.738 1.00 0.00 N ATOM 1353 CA LYS A 90 -2.568 9.551 6.491 1.00 0.00 C ATOM 1354 C LYS A 90 -3.125 8.533 7.509 1.00 0.00 C ATOM 1355 O LYS A 90 -3.956 8.916 8.337 1.00 0.00 O ATOM 1356 CB LYS A 90 -3.654 10.027 5.498 1.00 0.00 C ATOM 1357 CG LYS A 90 -4.230 11.436 5.747 1.00 0.00 C ATOM 1358 CD LYS A 90 -5.043 11.604 7.042 1.00 0.00 C ATOM 1359 CE LYS A 90 -4.165 12.039 8.229 1.00 0.00 C ATOM 1360 NZ LYS A 90 -4.543 11.356 9.487 1.00 0.00 N ATOM 0 H LYS A 90 -1.606 8.894 4.745 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.231 10.398 7.089 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.235 10.001 4.492 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.476 9.312 5.520 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.405 12.148 5.762 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.866 11.703 4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.828 12.344 6.883 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.537 10.663 7.283 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.120 11.826 8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.249 13.117 8.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.936 11.693 10.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.537 11.565 9.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.422 10.329 9.374 1.00 0.00 H new ATOM 1374 N LYS A 91 -2.728 7.262 7.450 1.00 0.00 N ATOM 1375 CA LYS A 91 -3.227 6.145 8.245 1.00 0.00 C ATOM 1376 C LYS A 91 -1.997 5.367 8.687 1.00 0.00 C ATOM 1377 O LYS A 91 -1.403 5.771 9.682 1.00 0.00 O ATOM 1378 CB LYS A 91 -4.274 5.381 7.398 1.00 0.00 C ATOM 1379 CG LYS A 91 -5.036 4.236 8.094 1.00 0.00 C ATOM 1380 CD LYS A 91 -6.516 4.553 8.374 1.00 0.00 C ATOM 1381 CE LYS A 91 -7.301 3.358 8.953 1.00 0.00 C ATOM 1382 NZ LYS A 91 -7.343 2.193 8.038 1.00 0.00 N ATOM 0 H LYS A 91 -1.999 6.968 6.800 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.765 6.416 9.153 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.005 6.102 7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.768 4.970 6.525 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.977 3.343 7.472 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.540 4.002 9.036 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.575 5.389 9.071 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.992 4.876 7.448 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.847 3.055 9.897 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.320 3.674 9.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.253 1.701 8.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.237 2.519 7.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.568 1.540 8.271 1.00 0.00 H new ATOM 1396 N LYS A 92 -1.597 4.280 8.021 1.00 0.00 N ATOM 1397 CA LYS A 92 -0.384 3.565 8.325 1.00 0.00 C ATOM 1398 C LYS A 92 0.035 2.739 7.113 1.00 0.00 C ATOM 1399 O LYS A 92 -0.363 3.025 5.980 1.00 0.00 O ATOM 1400 CB LYS A 92 -0.649 2.718 9.578 1.00 0.00 C ATOM 1401 CG LYS A 92 0.601 2.553 10.458 1.00 0.00 C ATOM 1402 CD LYS A 92 1.062 3.868 11.108 1.00 0.00 C ATOM 1403 CE LYS A 92 0.310 4.137 12.409 1.00 0.00 C ATOM 1404 NZ LYS A 92 1.006 3.445 13.520 1.00 0.00 N ATOM 0 H LYS A 92 -2.124 3.877 7.246 1.00 0.00 H new ATOM 0 HA LYS A 92 0.448 4.236 8.538 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.442 3.182 10.164 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.009 1.734 9.277 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.393 1.822 11.240 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.413 2.150 9.853 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.133 3.822 11.307 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.902 4.694 10.415 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.264 5.209 12.603 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.718 3.783 12.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.307 3.119 14.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.530 2.628 13.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.670 4.102 13.977 1.00 0.00 H new ATOM 1418 N TYR A 93 0.863 1.739 7.371 1.00 0.00 N ATOM 1419 CA TYR A 93 1.607 0.955 6.412 1.00 0.00 C ATOM 1420 C TYR A 93 1.026 -0.440 6.380 1.00 0.00 C ATOM 1421 O TYR A 93 1.548 -1.373 6.976 1.00 0.00 O ATOM 1422 CB TYR A 93 3.112 1.000 6.661 1.00 0.00 C ATOM 1423 CG TYR A 93 3.570 2.042 7.674 1.00 0.00 C ATOM 1424 CD1 TYR A 93 3.377 3.413 7.417 1.00 0.00 C ATOM 1425 CD2 TYR A 93 4.089 1.642 8.920 1.00 0.00 C ATOM 1426 CE1 TYR A 93 3.768 4.378 8.354 1.00 0.00 C ATOM 1427 CE2 TYR A 93 4.466 2.599 9.876 1.00 0.00 C ATOM 1428 CZ TYR A 93 4.311 3.975 9.594 1.00 0.00 C ATOM 1429 OH TYR A 93 4.619 4.923 10.517 1.00 0.00 O ATOM 0 H TYR A 93 1.042 1.436 8.328 1.00 0.00 H new ATOM 0 HA TYR A 93 1.500 1.388 5.417 1.00 0.00 H new ATOM 0 HB2 TYR A 93 3.437 0.017 7.002 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.616 1.192 5.713 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.923 3.724 6.488 1.00 0.00 H new ATOM 0 HD2 TYR A 93 4.198 0.591 9.142 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.654 5.428 8.129 1.00 0.00 H new ATOM 0 HE2 TYR A 93 4.874 2.284 10.825 1.00 0.00 H new ATOM 0 HH TYR A 93 4.982 4.493 11.319 1.00 0.00 H new ATOM 1439 N TYR A 94 -0.120 -0.556 5.734 1.00 0.00 N ATOM 1440 CA TYR A 94 -0.881 -1.779 5.772 1.00 0.00 C ATOM 1441 C TYR A 94 -0.232 -2.755 4.819 1.00 0.00 C ATOM 1442 O TYR A 94 0.588 -2.389 3.970 1.00 0.00 O ATOM 1443 CB TYR A 94 -2.299 -1.465 5.342 1.00 0.00 C ATOM 1444 CG TYR A 94 -3.126 -0.822 6.434 1.00 0.00 C ATOM 1445 CD1 TYR A 94 -2.920 0.525 6.781 1.00 0.00 C ATOM 1446 CD2 TYR A 94 -4.062 -1.596 7.144 1.00 0.00 C ATOM 1447 CE1 TYR A 94 -3.614 1.083 7.865 1.00 0.00 C ATOM 1448 CE2 TYR A 94 -4.793 -1.033 8.201 1.00 0.00 C ATOM 1449 CZ TYR A 94 -4.554 0.305 8.577 1.00 0.00 C ATOM 1450 OH TYR A 94 -5.241 0.859 9.613 1.00 0.00 O ATOM 0 H TYR A 94 -0.540 0.188 5.177 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.904 -2.214 6.771 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.271 -0.801 4.478 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.786 -2.386 5.021 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.228 1.130 6.213 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.219 -2.630 6.874 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.430 2.107 8.155 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.534 -1.620 8.723 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.849 0.192 9.996 1.00 0.00 H new ATOM 1460 N LEU A 95 -0.620 -4.004 4.986 1.00 0.00 N ATOM 1461 CA LEU A 95 0.102 -5.121 4.427 1.00 0.00 C ATOM 1462 C LEU A 95 -0.855 -5.940 3.591 1.00 0.00 C ATOM 1463 O LEU A 95 -1.962 -6.268 4.019 1.00 0.00 O ATOM 1464 CB LEU A 95 0.784 -5.898 5.551 1.00 0.00 C ATOM 1465 CG LEU A 95 1.445 -7.222 5.128 1.00 0.00 C ATOM 1466 CD1 LEU A 95 2.356 -7.052 3.912 1.00 0.00 C ATOM 1467 CD2 LEU A 95 2.291 -7.752 6.286 1.00 0.00 C ATOM 0 H LEU A 95 -1.450 -4.270 5.517 1.00 0.00 H new ATOM 0 HA LEU A 95 0.903 -4.799 3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.543 -5.260 6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.045 -6.110 6.324 1.00 0.00 H new ATOM 0 HG LEU A 95 0.646 -7.915 4.865 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.799 -8.013 3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.772 -6.682 3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.147 -6.340 4.147 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.762 -8.690 5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.061 -7.023 6.538 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.654 -7.922 7.154 1.00 0.00 H new ATOM 1479 N ILE A 96 -0.442 -6.231 2.373 1.00 0.00 N ATOM 1480 CA ILE A 96 -1.265 -6.847 1.356 1.00 0.00 C ATOM 1481 C ILE A 96 -0.529 -8.102 0.880 1.00 0.00 C ATOM 1482 O ILE A 96 0.652 -8.014 0.535 1.00 0.00 O ATOM 1483 CB ILE A 96 -1.469 -5.819 0.212 1.00 0.00 C ATOM 1484 CG1 ILE A 96 -1.974 -4.424 0.671 1.00 0.00 C ATOM 1485 CG2 ILE A 96 -2.376 -6.391 -0.890 1.00 0.00 C ATOM 1486 CD1 ILE A 96 -3.369 -4.409 1.290 1.00 0.00 C ATOM 0 H ILE A 96 0.508 -6.038 2.056 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.249 -7.135 1.726 1.00 0.00 H new ATOM 0 HB ILE A 96 -0.471 -5.645 -0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.268 -4.020 1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.968 -3.753 -0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.502 -5.649 -1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.921 -7.290 -1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.349 -6.640 -0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.629 -3.390 1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.093 -4.777 0.564 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.383 -5.049 2.172 1.00 0.00 H new ATOM 1498 N ARG A 97 -1.206 -9.254 0.848 1.00 0.00 N ATOM 1499 CA ARG A 97 -0.751 -10.443 0.110 1.00 0.00 C ATOM 1500 C ARG A 97 -1.881 -11.021 -0.745 1.00 0.00 C ATOM 1501 O ARG A 97 -3.020 -10.539 -0.807 1.00 0.00 O ATOM 1502 CB ARG A 97 -0.147 -11.515 1.056 1.00 0.00 C ATOM 1503 CG ARG A 97 1.070 -12.289 0.508 1.00 0.00 C ATOM 1504 CD ARG A 97 1.415 -13.543 1.328 1.00 0.00 C ATOM 1505 NE ARG A 97 0.390 -14.576 1.147 1.00 0.00 N ATOM 1506 CZ ARG A 97 0.090 -15.606 1.937 1.00 0.00 C ATOM 1507 NH1 ARG A 97 0.872 -15.939 2.954 1.00 0.00 N ATOM 1508 NH2 ARG A 97 -1.029 -16.280 1.713 1.00 0.00 N ATOM 0 H ARG A 97 -2.091 -9.392 1.336 1.00 0.00 H new ATOM 0 HA ARG A 97 0.048 -10.127 -0.560 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.146 -11.027 1.986 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.928 -12.233 1.305 1.00 0.00 H new ATOM 0 HG2 ARG A 97 0.871 -12.581 -0.523 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.935 -11.626 0.490 1.00 0.00 H new ATOM 0 HD2 ARG A 97 2.387 -13.929 1.020 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.495 -13.283 2.384 1.00 0.00 H new ATOM 0 HE ARG A 97 -0.171 -14.495 0.299 1.00 0.00 H new ATOM 0 HH11 ARG A 97 1.719 -15.403 3.142 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.626 -16.731 3.548 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -1.644 -16.007 0.946 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -1.275 -17.071 2.307 1.00 0.00 H new ATOM 1522 N TYR A 98 -1.545 -12.126 -1.384 1.00 0.00 N ATOM 1523 CA TYR A 98 -2.422 -12.965 -2.145 1.00 0.00 C ATOM 1524 C TYR A 98 -2.385 -14.402 -1.623 1.00 0.00 C ATOM 1525 O TYR A 98 -1.510 -14.755 -0.833 1.00 0.00 O ATOM 1526 CB TYR A 98 -2.063 -12.867 -3.626 1.00 0.00 C ATOM 1527 CG TYR A 98 -0.621 -12.730 -4.091 1.00 0.00 C ATOM 1528 CD1 TYR A 98 0.443 -13.395 -3.445 1.00 0.00 C ATOM 1529 CD2 TYR A 98 -0.382 -12.059 -5.308 1.00 0.00 C ATOM 1530 CE1 TYR A 98 1.718 -13.433 -4.037 1.00 0.00 C ATOM 1531 CE2 TYR A 98 0.885 -12.105 -5.909 1.00 0.00 C ATOM 1532 CZ TYR A 98 1.919 -12.846 -5.302 1.00 0.00 C ATOM 1533 OH TYR A 98 3.076 -13.051 -5.981 1.00 0.00 O ATOM 0 H TYR A 98 -0.587 -12.475 -1.378 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.451 -12.623 -2.030 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.467 -13.757 -4.109 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.607 -12.012 -4.027 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.277 -13.876 -2.493 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.180 -11.506 -5.781 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.540 -13.910 -3.524 1.00 0.00 H new ATOM 0 HE2 TYR A 98 1.067 -11.575 -6.832 1.00 0.00 H new ATOM 0 HH TYR A 98 3.698 -13.562 -5.421 1.00 0.00 H new ATOM 1543 N ALA A 99 -3.353 -15.214 -2.034 1.00 0.00 N ATOM 1544 CA ALA A 99 -3.513 -16.625 -1.712 1.00 0.00 C ATOM 1545 C ALA A 99 -2.467 -17.483 -2.423 1.00 0.00 C ATOM 1546 O ALA A 99 -2.776 -18.289 -3.297 1.00 0.00 O ATOM 1547 CB ALA A 99 -4.947 -17.053 -2.041 1.00 0.00 C ATOM 0 H ALA A 99 -4.098 -14.878 -2.644 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.345 -16.777 -0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.075 -18.109 -1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.648 -16.460 -1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -5.140 -16.895 -3.102 1.00 0.00 H new