USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 523 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 35 THR OG1 : rot 35:sc= 1.25! USER MOD Set 1.2: A 71 THR OG1 : rot 132:sc= 1.41 USER MOD Set 2.1: A 14 THR OG1 : rot -98:sc= -5! USER MOD Set 2.2: A 17 SER OG : rot 180:sc= 0.367 USER MOD Single : A 16 THR OG1 : rot -64:sc= 1.21 USER MOD Single : A 21 SER OG : rot -130:sc= -1.78 USER MOD Single : A 31 TYR OH : rot 150:sc= 0.0699 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.188) USER MOD Single : A 55 SER OG : rot -116:sc= 0.00246 USER MOD Single : A 56 THR OG1 : rot 29:sc= 0.342 USER MOD Single : A 58 THR OG1 : rot -5:sc= 0.903 USER MOD Single : A 60 SER OG : rot -11:sc= 0.123 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.46 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.939 K(o=-0.94,f=-2.3!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.354 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 8 9.630 3.253 -6.250 1.00 0.00 N ATOM 109 CA LEU A 8 8.782 2.016 -6.235 1.00 0.00 C ATOM 110 C LEU A 8 9.644 0.790 -5.962 1.00 0.00 C ATOM 111 O LEU A 8 10.704 0.634 -6.538 1.00 0.00 O ATOM 112 CB LEU A 8 8.091 1.810 -7.613 1.00 0.00 C ATOM 113 CG LEU A 8 8.181 3.074 -8.473 1.00 0.00 C ATOM 114 CD1 LEU A 8 7.665 2.754 -9.872 1.00 0.00 C ATOM 115 CD2 LEU A 8 7.311 4.172 -7.862 1.00 0.00 C ATOM 0 HA LEU A 8 8.033 2.139 -5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.560 0.977 -8.137 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.045 1.544 -7.462 1.00 0.00 H new ATOM 0 HG LEU A 8 9.216 3.413 -8.520 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.724 3.647 -10.495 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.273 1.964 -10.312 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.629 2.422 -9.810 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.376 5.071 -8.475 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.275 3.835 -7.821 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.660 4.394 -6.854 1.00 0.00 H new ATOM 127 N GLU A 9 9.176 -0.066 -5.091 1.00 0.00 N ATOM 128 CA GLU A 9 9.972 -1.290 -4.776 1.00 0.00 C ATOM 129 C GLU A 9 9.205 -2.250 -3.866 1.00 0.00 C ATOM 130 O GLU A 9 8.177 -1.908 -3.307 1.00 0.00 O ATOM 131 CB GLU A 9 11.256 -0.860 -4.041 1.00 0.00 C ATOM 132 CG GLU A 9 12.448 -1.622 -4.624 1.00 0.00 C ATOM 133 CD GLU A 9 13.681 -1.374 -3.752 1.00 0.00 C ATOM 134 OE1 GLU A 9 13.600 -1.724 -2.587 1.00 0.00 O ATOM 135 OE2 GLU A 9 14.636 -0.850 -4.303 1.00 0.00 O ATOM 0 H GLU A 9 8.292 0.026 -4.591 1.00 0.00 H new ATOM 0 HA GLU A 9 10.191 -1.802 -5.713 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.408 0.214 -4.148 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.165 -1.065 -2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.227 -2.689 -4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.639 -1.295 -5.646 1.00 0.00 H new ATOM 142 N VAL A 10 9.734 -3.443 -3.741 1.00 0.00 N ATOM 143 CA VAL A 10 9.080 -4.464 -2.880 1.00 0.00 C ATOM 144 C VAL A 10 9.726 -4.461 -1.496 1.00 0.00 C ATOM 145 O VAL A 10 10.900 -4.744 -1.364 1.00 0.00 O ATOM 146 CB VAL A 10 9.300 -5.845 -3.515 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.890 -6.928 -2.515 1.00 0.00 C ATOM 148 CG2 VAL A 10 8.439 -5.968 -4.771 1.00 0.00 C ATOM 0 H VAL A 10 10.592 -3.749 -4.201 1.00 0.00 H new ATOM 0 HA VAL A 10 8.017 -4.241 -2.789 1.00 0.00 H new ATOM 0 HB VAL A 10 10.351 -5.964 -3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.044 -7.911 -2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.496 -6.839 -1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.838 -6.807 -2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.593 -6.948 -5.224 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.388 -5.853 -4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.720 -5.191 -5.482 1.00 0.00 H new ATOM 158 N VAL A 11 8.962 -4.143 -0.489 1.00 0.00 N ATOM 159 CA VAL A 11 9.548 -4.125 0.876 1.00 0.00 C ATOM 160 C VAL A 11 9.829 -5.533 1.359 1.00 0.00 C ATOM 161 O VAL A 11 10.951 -5.995 1.316 1.00 0.00 O ATOM 162 CB VAL A 11 8.549 -3.453 1.822 1.00 0.00 C ATOM 163 CG1 VAL A 11 8.964 -3.720 3.271 1.00 0.00 C ATOM 164 CG2 VAL A 11 8.567 -1.946 1.563 1.00 0.00 C ATOM 0 H VAL A 11 7.974 -3.899 -0.551 1.00 0.00 H new ATOM 0 HA VAL A 11 10.489 -3.576 0.857 1.00 0.00 H new ATOM 0 HB VAL A 11 7.549 -3.851 1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.254 -3.243 3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.973 -4.794 3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.960 -3.313 3.445 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.860 -1.454 2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.569 -1.557 1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.285 -1.751 0.528 1.00 0.00 H new ATOM 174 N ALA A 12 8.806 -6.187 1.810 1.00 0.00 N ATOM 175 CA ALA A 12 8.978 -7.576 2.307 1.00 0.00 C ATOM 176 C ALA A 12 7.817 -8.445 1.865 1.00 0.00 C ATOM 177 O ALA A 12 6.908 -7.982 1.205 1.00 0.00 O ATOM 178 CB ALA A 12 9.020 -7.544 3.840 1.00 0.00 C ATOM 0 H ALA A 12 7.855 -5.822 1.857 1.00 0.00 H new ATOM 0 HA ALA A 12 9.902 -7.990 1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.146 -8.557 4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.856 -6.926 4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.088 -7.126 4.221 1.00 0.00 H new ATOM 184 N ALA A 13 7.866 -9.697 2.234 1.00 0.00 N ATOM 185 CA ALA A 13 6.766 -10.613 1.837 1.00 0.00 C ATOM 186 C ALA A 13 6.481 -11.647 2.921 1.00 0.00 C ATOM 187 O ALA A 13 7.218 -11.776 3.877 1.00 0.00 O ATOM 188 CB ALA A 13 7.183 -11.341 0.549 1.00 0.00 C ATOM 0 H ALA A 13 8.612 -10.119 2.787 1.00 0.00 H new ATOM 0 HA ALA A 13 5.861 -10.026 1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.387 -12.019 0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.363 -10.611 -0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.095 -11.910 0.732 1.00 0.00 H new ATOM 194 N THR A 14 5.407 -12.367 2.740 1.00 0.00 N ATOM 195 CA THR A 14 5.029 -13.406 3.731 1.00 0.00 C ATOM 196 C THR A 14 4.444 -14.634 3.000 1.00 0.00 C ATOM 197 O THR A 14 3.901 -14.496 1.921 1.00 0.00 O ATOM 198 CB THR A 14 3.943 -12.800 4.637 1.00 0.00 C ATOM 199 OG1 THR A 14 2.838 -12.591 3.793 1.00 0.00 O ATOM 200 CG2 THR A 14 4.336 -11.390 5.102 1.00 0.00 C ATOM 0 H THR A 14 4.775 -12.277 1.944 1.00 0.00 H new ATOM 0 HA THR A 14 5.899 -13.719 4.309 1.00 0.00 H new ATOM 0 HB THR A 14 3.773 -13.451 5.495 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.818 -11.654 3.507 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.551 -10.985 5.741 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.270 -11.439 5.662 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.467 -10.744 4.234 1.00 0.00 H new ATOM 208 N PRO A 15 4.557 -15.827 3.596 1.00 0.00 N ATOM 209 CA PRO A 15 4.025 -17.029 2.960 1.00 0.00 C ATOM 210 C PRO A 15 2.568 -16.849 2.522 1.00 0.00 C ATOM 211 O PRO A 15 2.004 -17.718 1.885 1.00 0.00 O ATOM 212 CB PRO A 15 4.115 -18.127 4.044 1.00 0.00 C ATOM 213 CG PRO A 15 4.892 -17.522 5.256 1.00 0.00 C ATOM 214 CD PRO A 15 5.199 -16.053 4.912 1.00 0.00 C ATOM 0 HA PRO A 15 4.585 -17.273 2.058 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.119 -18.449 4.348 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.630 -19.007 3.658 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.296 -17.588 6.166 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.813 -18.075 5.437 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.798 -15.378 5.668 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.273 -15.875 4.863 1.00 0.00 H new ATOM 222 N THR A 16 1.985 -15.725 2.864 1.00 0.00 N ATOM 223 CA THR A 16 0.571 -15.493 2.467 1.00 0.00 C ATOM 224 C THR A 16 0.250 -14.002 2.374 1.00 0.00 C ATOM 225 O THR A 16 -0.879 -13.603 2.577 1.00 0.00 O ATOM 226 CB THR A 16 -0.336 -16.117 3.533 1.00 0.00 C ATOM 227 OG1 THR A 16 -1.657 -15.882 3.085 1.00 0.00 O ATOM 228 CG2 THR A 16 -0.236 -15.345 4.860 1.00 0.00 C ATOM 0 H THR A 16 2.424 -14.971 3.393 1.00 0.00 H new ATOM 0 HA THR A 16 0.409 -15.941 1.487 1.00 0.00 H new ATOM 0 HB THR A 16 -0.066 -17.163 3.679 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.831 -14.918 3.072 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.889 -15.808 5.600 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.793 -15.369 5.218 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.541 -14.310 4.703 1.00 0.00 H new ATOM 236 N SER A 17 1.238 -13.197 2.073 1.00 0.00 N ATOM 237 CA SER A 17 0.964 -11.737 1.971 1.00 0.00 C ATOM 238 C SER A 17 2.178 -10.962 1.471 1.00 0.00 C ATOM 239 O SER A 17 3.290 -11.186 1.909 1.00 0.00 O ATOM 240 CB SER A 17 0.590 -11.208 3.366 1.00 0.00 C ATOM 241 OG SER A 17 1.737 -10.476 3.778 1.00 0.00 O ATOM 0 H SER A 17 2.202 -13.482 1.897 1.00 0.00 H new ATOM 0 HA SER A 17 0.152 -11.596 1.258 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.295 -10.573 3.328 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.368 -12.023 4.055 1.00 0.00 H new ATOM 0 HG SER A 17 1.582 -10.099 4.669 1.00 0.00 H new ATOM 247 N LEU A 18 1.927 -10.052 0.557 1.00 0.00 N ATOM 248 CA LEU A 18 3.034 -9.230 -0.009 1.00 0.00 C ATOM 249 C LEU A 18 2.875 -7.771 0.419 1.00 0.00 C ATOM 250 O LEU A 18 1.767 -7.289 0.562 1.00 0.00 O ATOM 251 CB LEU A 18 2.952 -9.312 -1.551 1.00 0.00 C ATOM 252 CG LEU A 18 4.150 -8.569 -2.187 1.00 0.00 C ATOM 253 CD1 LEU A 18 5.451 -9.355 -1.946 1.00 0.00 C ATOM 254 CD2 LEU A 18 3.914 -8.443 -3.694 1.00 0.00 C ATOM 0 H LEU A 18 1.001 -9.847 0.182 1.00 0.00 H new ATOM 0 HA LEU A 18 3.993 -9.603 0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.951 -10.355 -1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.016 -8.873 -1.897 1.00 0.00 H new ATOM 0 HG LEU A 18 4.241 -7.582 -1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.287 -8.822 -2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.622 -9.456 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.366 -10.345 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.754 -7.920 -4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.823 -9.437 -4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.997 -7.882 -3.873 1.00 0.00 H new ATOM 266 N LEU A 19 3.989 -7.095 0.615 1.00 0.00 N ATOM 267 CA LEU A 19 3.923 -5.661 1.036 1.00 0.00 C ATOM 268 C LEU A 19 4.632 -4.765 0.032 1.00 0.00 C ATOM 269 O LEU A 19 5.851 -4.714 -0.012 1.00 0.00 O ATOM 270 CB LEU A 19 4.622 -5.513 2.404 1.00 0.00 C ATOM 271 CG LEU A 19 4.168 -4.199 3.062 1.00 0.00 C ATOM 272 CD1 LEU A 19 3.028 -4.491 4.039 1.00 0.00 C ATOM 273 CD2 LEU A 19 5.337 -3.584 3.835 1.00 0.00 C ATOM 0 H LEU A 19 4.929 -7.474 0.502 1.00 0.00 H new ATOM 0 HA LEU A 19 2.876 -5.364 1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.376 -6.359 3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.704 -5.515 2.275 1.00 0.00 H new ATOM 0 HG LEU A 19 3.830 -3.506 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.703 -3.562 4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.192 -4.937 3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.375 -5.183 4.807 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.015 -2.653 4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.670 -4.280 4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.160 -3.381 3.150 1.00 0.00 H new ATOM 285 N ILE A 20 3.856 -4.069 -0.759 1.00 0.00 N ATOM 286 CA ILE A 20 4.460 -3.169 -1.768 1.00 0.00 C ATOM 287 C ILE A 20 4.486 -1.740 -1.240 1.00 0.00 C ATOM 288 O ILE A 20 3.647 -1.358 -0.446 1.00 0.00 O ATOM 289 CB ILE A 20 3.611 -3.225 -3.046 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.155 -2.874 -2.732 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.656 -4.662 -3.597 1.00 0.00 C ATOM 292 CD1 ILE A 20 1.692 -1.738 -3.657 1.00 0.00 C ATOM 0 H ILE A 20 2.836 -4.089 -0.745 1.00 0.00 H new ATOM 0 HA ILE A 20 5.481 -3.487 -1.980 1.00 0.00 H new ATOM 0 HB ILE A 20 4.005 -2.513 -3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.521 -3.750 -2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.059 -2.571 -1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.058 -4.722 -4.506 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.687 -4.933 -3.823 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.255 -5.350 -2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.655 -1.487 -3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.320 -0.861 -3.498 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.773 -2.059 -4.696 1.00 0.00 H new ATOM 304 N SER A 21 5.451 -0.976 -1.677 1.00 0.00 N ATOM 305 CA SER A 21 5.531 0.427 -1.198 1.00 0.00 C ATOM 306 C SER A 21 6.051 1.355 -2.290 1.00 0.00 C ATOM 307 O SER A 21 6.973 1.019 -3.009 1.00 0.00 O ATOM 308 CB SER A 21 6.500 0.470 -0.006 1.00 0.00 C ATOM 309 OG SER A 21 6.183 -0.695 0.744 1.00 0.00 O ATOM 0 H SER A 21 6.176 -1.260 -2.336 1.00 0.00 H new ATOM 0 HA SER A 21 4.534 0.762 -0.912 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.539 0.460 -0.337 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.363 1.375 0.586 1.00 0.00 H new ATOM 0 HG SER A 21 6.056 -0.454 1.685 1.00 0.00 H new ATOM 315 N TRP A 22 5.443 2.511 -2.396 1.00 0.00 N ATOM 316 CA TRP A 22 5.882 3.475 -3.426 1.00 0.00 C ATOM 317 C TRP A 22 5.754 4.906 -2.911 1.00 0.00 C ATOM 318 O TRP A 22 5.741 5.126 -1.718 1.00 0.00 O ATOM 319 CB TRP A 22 5.032 3.279 -4.712 1.00 0.00 C ATOM 320 CG TRP A 22 3.608 3.826 -4.536 1.00 0.00 C ATOM 321 CD1 TRP A 22 3.187 4.966 -5.059 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.634 3.209 -3.898 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.891 5.022 -4.709 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.459 3.943 -3.963 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.645 2.004 -3.217 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.314 3.478 -3.349 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.497 1.545 -2.605 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.334 2.282 -2.671 1.00 0.00 C ATOM 0 H TRP A 22 4.666 2.819 -1.812 1.00 0.00 H new ATOM 0 HA TRP A 22 6.931 3.295 -3.660 1.00 0.00 H new ATOM 0 HB2 TRP A 22 5.515 3.783 -5.549 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.987 2.219 -4.961 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.753 5.684 -5.633 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.279 5.795 -4.972 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.554 1.422 -3.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.598 4.054 -3.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.510 0.605 -2.073 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.562 1.920 -2.190 1.00 0.00 H new ATOM 415 N VAL A 29 -3.819 14.035 -3.793 1.00 0.00 N ATOM 416 CA VAL A 29 -4.398 12.986 -4.658 1.00 0.00 C ATOM 417 C VAL A 29 -5.647 12.425 -4.036 1.00 0.00 C ATOM 418 O VAL A 29 -5.625 11.926 -2.928 1.00 0.00 O ATOM 419 CB VAL A 29 -3.365 11.856 -4.815 1.00 0.00 C ATOM 420 CG1 VAL A 29 -3.831 10.891 -5.908 1.00 0.00 C ATOM 421 CG2 VAL A 29 -2.021 12.462 -5.224 1.00 0.00 C ATOM 0 HA VAL A 29 -4.649 13.416 -5.628 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.261 11.320 -3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.101 10.090 -6.021 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.796 10.466 -5.631 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.928 11.429 -6.851 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.283 11.668 -5.337 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.133 12.991 -6.171 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.688 13.160 -4.456 1.00 0.00 H new ATOM 431 N ARG A 30 -6.725 12.514 -4.751 1.00 0.00 N ATOM 432 CA ARG A 30 -7.976 11.986 -4.206 1.00 0.00 C ATOM 433 C ARG A 30 -7.758 10.558 -3.792 1.00 0.00 C ATOM 434 O ARG A 30 -8.053 10.177 -2.676 1.00 0.00 O ATOM 435 CB ARG A 30 -9.042 12.056 -5.299 1.00 0.00 C ATOM 436 CG ARG A 30 -10.064 13.117 -4.900 1.00 0.00 C ATOM 437 CD ARG A 30 -11.001 13.415 -6.077 1.00 0.00 C ATOM 438 NE ARG A 30 -12.025 12.343 -6.172 1.00 0.00 N ATOM 439 CZ ARG A 30 -13.274 12.626 -5.926 1.00 0.00 C ATOM 440 NH1 ARG A 30 -13.962 13.262 -6.832 1.00 0.00 N ATOM 441 NH2 ARG A 30 -13.788 12.267 -4.782 1.00 0.00 N ATOM 0 H ARG A 30 -6.786 12.928 -5.681 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.298 12.565 -3.341 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.588 12.307 -6.258 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.527 11.087 -5.420 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.642 12.772 -4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.552 14.029 -4.593 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.483 14.383 -5.937 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.432 13.473 -7.005 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.753 11.394 -6.427 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.522 13.528 -7.713 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.940 13.493 -6.660 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.215 11.774 -4.098 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.763 12.480 -4.572 1.00 0.00 H new ATOM 455 N TYR A 31 -7.245 9.783 -4.697 1.00 0.00 N ATOM 456 CA TYR A 31 -6.995 8.357 -4.358 1.00 0.00 C ATOM 457 C TYR A 31 -6.210 7.631 -5.449 1.00 0.00 C ATOM 458 O TYR A 31 -6.108 8.092 -6.578 1.00 0.00 O ATOM 459 CB TYR A 31 -8.334 7.629 -4.137 1.00 0.00 C ATOM 460 CG TYR A 31 -9.441 8.276 -4.971 1.00 0.00 C ATOM 461 CD1 TYR A 31 -9.399 8.232 -6.348 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.514 8.890 -4.353 1.00 0.00 C ATOM 463 CE1 TYR A 31 -10.415 8.789 -7.097 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.527 9.446 -5.102 1.00 0.00 C ATOM 465 CZ TYR A 31 -11.486 9.401 -6.479 1.00 0.00 C ATOM 466 OH TYR A 31 -12.501 9.961 -7.226 1.00 0.00 O ATOM 0 H TYR A 31 -6.990 10.066 -5.643 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.397 8.344 -3.447 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.233 6.578 -4.409 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.601 7.660 -3.081 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.565 7.758 -6.844 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.558 8.934 -3.275 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -10.372 8.746 -8.175 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.361 9.921 -4.606 1.00 0.00 H new ATOM 0 HH TYR A 31 -13.342 9.911 -6.725 1.00 0.00 H new ATOM 476 N TYR A 32 -5.662 6.503 -5.068 1.00 0.00 N ATOM 477 CA TYR A 32 -4.871 5.687 -6.019 1.00 0.00 C ATOM 478 C TYR A 32 -5.640 4.421 -6.364 1.00 0.00 C ATOM 479 O TYR A 32 -6.654 4.136 -5.761 1.00 0.00 O ATOM 480 CB TYR A 32 -3.555 5.278 -5.319 1.00 0.00 C ATOM 481 CG TYR A 32 -2.389 6.134 -5.826 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.194 7.407 -5.333 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.483 5.625 -6.741 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.111 8.159 -5.742 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.398 6.380 -7.146 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.206 7.652 -6.647 1.00 0.00 C ATOM 487 OH TYR A 32 0.885 8.397 -7.029 1.00 0.00 O ATOM 0 H TYR A 32 -5.734 6.115 -4.127 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.674 6.258 -6.926 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.658 5.396 -4.240 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.349 4.224 -5.506 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.894 7.819 -4.621 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.625 4.632 -7.141 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.972 9.155 -5.348 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.304 5.971 -7.858 1.00 0.00 H new ATOM 0 HH TYR A 32 1.420 7.887 -7.672 1.00 0.00 H new ATOM 497 N ARG A 33 -5.147 3.679 -7.321 1.00 0.00 N ATOM 498 CA ARG A 33 -5.848 2.425 -7.710 1.00 0.00 C ATOM 499 C ARG A 33 -4.847 1.314 -7.929 1.00 0.00 C ATOM 500 O ARG A 33 -4.107 1.325 -8.891 1.00 0.00 O ATOM 501 CB ARG A 33 -6.614 2.670 -9.017 1.00 0.00 C ATOM 502 CG ARG A 33 -8.092 2.342 -8.812 1.00 0.00 C ATOM 503 CD ARG A 33 -8.874 2.760 -10.064 1.00 0.00 C ATOM 504 NE ARG A 33 -9.715 1.619 -10.522 1.00 0.00 N ATOM 505 CZ ARG A 33 -10.757 1.857 -11.271 1.00 0.00 C ATOM 506 NH1 ARG A 33 -11.811 2.404 -10.731 1.00 0.00 N ATOM 507 NH2 ARG A 33 -10.707 1.546 -12.536 1.00 0.00 N ATOM 0 H ARG A 33 -4.297 3.886 -7.845 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.534 2.136 -6.914 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.501 3.709 -9.328 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.201 2.052 -9.814 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.219 1.275 -8.627 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.476 2.865 -7.936 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.501 3.624 -9.844 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.185 3.059 -10.854 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.479 0.664 -10.254 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.812 2.639 -9.738 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.634 2.597 -11.301 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.863 1.124 -12.925 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.511 1.724 -13.137 1.00 0.00 H new ATOM 521 N ILE A 34 -4.838 0.371 -7.022 1.00 0.00 N ATOM 522 CA ILE A 34 -3.889 -0.760 -7.152 1.00 0.00 C ATOM 523 C ILE A 34 -4.580 -1.978 -7.750 1.00 0.00 C ATOM 524 O ILE A 34 -5.457 -2.560 -7.141 1.00 0.00 O ATOM 525 CB ILE A 34 -3.357 -1.130 -5.755 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.522 0.017 -5.180 1.00 0.00 C ATOM 527 CG2 ILE A 34 -2.437 -2.357 -5.899 1.00 0.00 C ATOM 528 CD1 ILE A 34 -3.408 1.244 -4.941 1.00 0.00 C ATOM 0 H ILE A 34 -5.446 0.340 -6.203 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.073 -0.458 -7.808 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.200 -1.334 -5.094 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.058 -0.294 -4.244 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.715 0.270 -5.867 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.048 -2.637 -4.920 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.003 -3.190 -6.316 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.607 -2.114 -6.563 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.805 2.054 -4.532 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.851 1.562 -5.885 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.200 0.990 -4.236 1.00 0.00 H new ATOM 540 N THR A 35 -4.169 -2.329 -8.940 1.00 0.00 N ATOM 541 CA THR A 35 -4.766 -3.505 -9.630 1.00 0.00 C ATOM 542 C THR A 35 -3.693 -4.551 -9.855 1.00 0.00 C ATOM 543 O THR A 35 -2.597 -4.219 -10.264 1.00 0.00 O ATOM 544 CB THR A 35 -5.292 -3.043 -10.989 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.244 -2.275 -11.551 1.00 0.00 O ATOM 546 CG2 THR A 35 -6.449 -2.053 -10.815 1.00 0.00 C ATOM 0 H THR A 35 -3.440 -1.846 -9.465 1.00 0.00 H new ATOM 0 HA THR A 35 -5.570 -3.927 -9.027 1.00 0.00 H new ATOM 0 HB THR A 35 -5.612 -3.903 -11.577 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.381 -2.660 -11.292 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.808 -1.737 -11.795 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.260 -2.534 -10.269 1.00 0.00 H new ATOM 0 HG23 THR A 35 -6.102 -1.183 -10.258 1.00 0.00 H new ATOM 554 N TYR A 36 -4.008 -5.800 -9.590 1.00 0.00 N ATOM 555 CA TYR A 36 -2.992 -6.844 -9.792 1.00 0.00 C ATOM 556 C TYR A 36 -3.608 -8.101 -10.365 1.00 0.00 C ATOM 557 O TYR A 36 -4.801 -8.324 -10.255 1.00 0.00 O ATOM 558 CB TYR A 36 -2.343 -7.151 -8.426 1.00 0.00 C ATOM 559 CG TYR A 36 -3.395 -7.685 -7.442 1.00 0.00 C ATOM 560 CD1 TYR A 36 -4.417 -6.870 -6.978 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.323 -8.983 -6.984 1.00 0.00 C ATOM 562 CE1 TYR A 36 -5.343 -7.356 -6.078 1.00 0.00 C ATOM 563 CE2 TYR A 36 -4.248 -9.461 -6.083 1.00 0.00 C ATOM 564 CZ TYR A 36 -5.264 -8.652 -5.624 1.00 0.00 C ATOM 565 OH TYR A 36 -6.182 -9.131 -4.717 1.00 0.00 O ATOM 0 H TYR A 36 -4.914 -6.122 -9.249 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.244 -6.491 -10.502 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.547 -7.885 -8.551 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.884 -6.248 -8.023 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.488 -5.849 -7.323 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.534 -9.631 -7.335 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.137 -6.713 -5.727 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.176 -10.480 -5.733 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.977 -10.066 -4.507 1.00 0.00 H new ATOM 575 N GLY A 37 -2.777 -8.888 -10.992 1.00 0.00 N ATOM 576 CA GLY A 37 -3.258 -10.155 -11.599 1.00 0.00 C ATOM 577 C GLY A 37 -2.063 -10.970 -12.083 1.00 0.00 C ATOM 578 O GLY A 37 -1.057 -10.414 -12.475 1.00 0.00 O ATOM 0 H GLY A 37 -1.781 -8.704 -11.109 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.830 -10.727 -10.869 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.928 -9.941 -12.432 1.00 0.00 H new ATOM 582 N GLU A 38 -2.186 -12.270 -12.043 1.00 0.00 N ATOM 583 CA GLU A 38 -1.067 -13.107 -12.494 1.00 0.00 C ATOM 584 C GLU A 38 -0.667 -12.759 -13.924 1.00 0.00 C ATOM 585 O GLU A 38 -1.025 -11.715 -14.434 1.00 0.00 O ATOM 586 CB GLU A 38 -1.514 -14.572 -12.430 1.00 0.00 C ATOM 587 CG GLU A 38 -2.859 -14.726 -13.134 1.00 0.00 C ATOM 588 CD GLU A 38 -3.157 -16.214 -13.328 1.00 0.00 C ATOM 589 OE1 GLU A 38 -2.574 -16.769 -14.245 1.00 0.00 O ATOM 590 OE2 GLU A 38 -3.951 -16.713 -12.548 1.00 0.00 O ATOM 0 H GLU A 38 -3.011 -12.774 -11.718 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.203 -12.935 -11.852 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.769 -15.211 -12.903 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.596 -14.893 -11.392 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.648 -14.259 -12.544 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.839 -14.218 -14.098 1.00 0.00 H new ATOM 597 N THR A 39 0.071 -13.635 -14.545 1.00 0.00 N ATOM 598 CA THR A 39 0.504 -13.369 -15.937 1.00 0.00 C ATOM 599 C THR A 39 -0.701 -13.163 -16.867 1.00 0.00 C ATOM 600 O THR A 39 -1.483 -12.253 -16.675 1.00 0.00 O ATOM 601 CB THR A 39 1.320 -14.575 -16.415 1.00 0.00 C ATOM 602 OG1 THR A 39 1.566 -14.344 -17.788 1.00 0.00 O ATOM 603 CG2 THR A 39 0.475 -15.863 -16.373 1.00 0.00 C ATOM 0 H THR A 39 0.390 -14.519 -14.148 1.00 0.00 H new ATOM 0 HA THR A 39 1.100 -12.457 -15.961 1.00 0.00 H new ATOM 0 HB THR A 39 2.209 -14.687 -15.795 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.090 -15.086 -18.156 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.077 -16.704 -16.717 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.144 -16.048 -15.351 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.394 -15.749 -17.021 1.00 0.00 H new ATOM 664 N VAL A 45 -6.911 -10.335 -11.224 1.00 0.00 N ATOM 665 CA VAL A 45 -7.266 -10.983 -9.936 1.00 0.00 C ATOM 666 C VAL A 45 -8.241 -10.116 -9.179 1.00 0.00 C ATOM 667 O VAL A 45 -9.325 -10.538 -8.839 1.00 0.00 O ATOM 668 CB VAL A 45 -5.991 -11.144 -9.086 1.00 0.00 C ATOM 669 CG1 VAL A 45 -6.372 -11.267 -7.613 1.00 0.00 C ATOM 670 CG2 VAL A 45 -5.246 -12.402 -9.519 1.00 0.00 C ATOM 0 HA VAL A 45 -7.717 -11.955 -10.136 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.351 -10.273 -9.227 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.470 -11.381 -7.012 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.906 -10.370 -7.299 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.013 -12.138 -7.474 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.344 -12.516 -8.918 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.888 -13.272 -9.378 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.973 -12.319 -10.571 1.00 0.00 H new ATOM 680 N GLN A 46 -7.831 -8.918 -8.929 1.00 0.00 N ATOM 681 CA GLN A 46 -8.713 -7.982 -8.190 1.00 0.00 C ATOM 682 C GLN A 46 -8.125 -6.577 -8.202 1.00 0.00 C ATOM 683 O GLN A 46 -7.208 -6.294 -8.950 1.00 0.00 O ATOM 684 CB GLN A 46 -8.848 -8.465 -6.731 1.00 0.00 C ATOM 685 CG GLN A 46 -10.268 -8.167 -6.229 1.00 0.00 C ATOM 686 CD GLN A 46 -11.205 -9.307 -6.648 1.00 0.00 C ATOM 687 OE1 GLN A 46 -11.751 -9.279 -7.837 1.00 0.00 O flip ATOM 688 NE2 GLN A 46 -11.451 -10.231 -5.897 1.00 0.00 N flip ATOM 0 H GLN A 46 -6.924 -8.541 -9.202 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.691 -7.958 -8.671 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.645 -9.534 -6.669 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.114 -7.964 -6.100 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.268 -8.062 -5.144 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.621 -7.221 -6.641 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.029 -10.260 -4.969 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.079 -10.977 -6.195 1.00 0.00 H new ATOM 697 N GLU A 47 -8.655 -5.722 -7.376 1.00 0.00 N ATOM 698 CA GLU A 47 -8.135 -4.341 -7.337 1.00 0.00 C ATOM 699 C GLU A 47 -8.703 -3.584 -6.142 1.00 0.00 C ATOM 700 O GLU A 47 -9.727 -3.955 -5.600 1.00 0.00 O ATOM 701 CB GLU A 47 -8.579 -3.636 -8.624 1.00 0.00 C ATOM 702 CG GLU A 47 -10.107 -3.540 -8.641 1.00 0.00 C ATOM 703 CD GLU A 47 -10.599 -3.551 -10.089 1.00 0.00 C ATOM 704 OE1 GLU A 47 -10.055 -2.770 -10.851 1.00 0.00 O ATOM 705 OE2 GLU A 47 -11.491 -4.340 -10.351 1.00 0.00 O ATOM 0 H GLU A 47 -9.420 -5.923 -6.732 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.049 -4.363 -7.249 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.139 -2.640 -8.678 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.227 -4.188 -9.496 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.541 -4.375 -8.091 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.431 -2.627 -8.142 1.00 0.00 H new ATOM 712 N PHE A 48 -8.034 -2.532 -5.754 1.00 0.00 N ATOM 713 CA PHE A 48 -8.529 -1.747 -4.599 1.00 0.00 C ATOM 714 C PHE A 48 -7.933 -0.355 -4.609 1.00 0.00 C ATOM 715 O PHE A 48 -6.787 -0.171 -4.971 1.00 0.00 O ATOM 716 CB PHE A 48 -8.129 -2.464 -3.291 1.00 0.00 C ATOM 717 CG PHE A 48 -6.661 -2.895 -3.348 1.00 0.00 C ATOM 718 CD1 PHE A 48 -6.297 -4.072 -3.978 1.00 0.00 C ATOM 719 CD2 PHE A 48 -5.682 -2.131 -2.740 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.976 -4.476 -3.996 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.362 -2.539 -2.759 1.00 0.00 C ATOM 722 CZ PHE A 48 -4.012 -3.710 -3.387 1.00 0.00 C ATOM 0 H PHE A 48 -7.175 -2.189 -6.185 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.614 -1.665 -4.666 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.287 -1.800 -2.441 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.765 -3.336 -3.137 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -7.050 -4.679 -4.459 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.951 -1.209 -2.247 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.701 -5.396 -4.490 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.604 -1.937 -2.280 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.980 -4.028 -3.402 1.00 0.00 H new ATOM 732 N THR A 49 -8.727 0.606 -4.210 1.00 0.00 N ATOM 733 CA THR A 49 -8.241 2.006 -4.185 1.00 0.00 C ATOM 734 C THR A 49 -7.989 2.485 -2.765 1.00 0.00 C ATOM 735 O THR A 49 -8.467 1.903 -1.809 1.00 0.00 O ATOM 736 CB THR A 49 -9.316 2.892 -4.823 1.00 0.00 C ATOM 737 OG1 THR A 49 -10.264 3.127 -3.803 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.091 2.116 -5.900 1.00 0.00 C ATOM 0 H THR A 49 -9.690 0.475 -3.902 1.00 0.00 H new ATOM 0 HA THR A 49 -7.299 2.062 -4.731 1.00 0.00 H new ATOM 0 HB THR A 49 -8.855 3.783 -5.249 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.984 3.695 -4.150 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.849 2.764 -6.340 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.402 1.785 -6.677 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.572 1.249 -5.448 1.00 0.00 H new ATOM 746 N VAL A 50 -7.235 3.545 -2.661 1.00 0.00 N ATOM 747 CA VAL A 50 -6.922 4.103 -1.328 1.00 0.00 C ATOM 748 C VAL A 50 -6.912 5.645 -1.394 1.00 0.00 C ATOM 749 O VAL A 50 -6.766 6.211 -2.460 1.00 0.00 O ATOM 750 CB VAL A 50 -5.519 3.609 -0.926 1.00 0.00 C ATOM 751 CG1 VAL A 50 -5.656 2.402 -0.003 1.00 0.00 C ATOM 752 CG2 VAL A 50 -4.746 3.191 -2.184 1.00 0.00 C ATOM 0 H VAL A 50 -6.824 4.046 -3.449 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.670 3.784 -0.603 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.984 4.409 -0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.665 2.049 0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.212 2.688 0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.189 1.605 -0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.753 2.841 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.283 2.389 -2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.653 4.045 -2.854 1.00 0.00 H new ATOM 762 N PRO A 51 -7.071 6.309 -0.248 1.00 0.00 N ATOM 763 CA PRO A 51 -7.074 7.776 -0.219 1.00 0.00 C ATOM 764 C PRO A 51 -5.724 8.372 -0.651 1.00 0.00 C ATOM 765 O PRO A 51 -5.466 9.538 -0.429 1.00 0.00 O ATOM 766 CB PRO A 51 -7.343 8.141 1.254 1.00 0.00 C ATOM 767 CG PRO A 51 -7.344 6.814 2.072 1.00 0.00 C ATOM 768 CD PRO A 51 -7.281 5.658 1.060 1.00 0.00 C ATOM 0 HA PRO A 51 -7.818 8.172 -0.910 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.577 8.821 1.627 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.300 8.654 1.354 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.491 6.779 2.750 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.242 6.740 2.685 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.468 4.971 1.295 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.202 5.075 1.068 1.00 0.00 H new ATOM 776 N GLY A 52 -4.889 7.565 -1.256 1.00 0.00 N ATOM 777 CA GLY A 52 -3.559 8.084 -1.704 1.00 0.00 C ATOM 778 C GLY A 52 -2.768 8.664 -0.527 1.00 0.00 C ATOM 779 O GLY A 52 -1.675 9.168 -0.706 1.00 0.00 O ATOM 0 H GLY A 52 -5.066 6.581 -1.458 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.989 7.279 -2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.702 8.852 -2.464 1.00 0.00 H new ATOM 783 N SER A 53 -3.325 8.586 0.649 1.00 0.00 N ATOM 784 CA SER A 53 -2.605 9.130 1.827 1.00 0.00 C ATOM 785 C SER A 53 -1.461 8.215 2.225 1.00 0.00 C ATOM 786 O SER A 53 -0.371 8.667 2.511 1.00 0.00 O ATOM 787 CB SER A 53 -3.587 9.228 3.002 1.00 0.00 C ATOM 788 OG SER A 53 -3.712 10.623 3.237 1.00 0.00 O ATOM 0 H SER A 53 -4.238 8.173 0.842 1.00 0.00 H new ATOM 0 HA SER A 53 -2.203 10.111 1.573 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.549 8.778 2.756 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.208 8.708 3.882 1.00 0.00 H new ATOM 0 HG SER A 53 -4.331 10.775 3.981 1.00 0.00 H new ATOM 794 N LYS A 54 -1.729 6.938 2.238 1.00 0.00 N ATOM 795 CA LYS A 54 -0.665 5.977 2.616 1.00 0.00 C ATOM 796 C LYS A 54 0.068 5.475 1.383 1.00 0.00 C ATOM 797 O LYS A 54 -0.509 4.829 0.531 1.00 0.00 O ATOM 798 CB LYS A 54 -1.316 4.781 3.329 1.00 0.00 C ATOM 799 CG LYS A 54 -2.008 5.267 4.606 1.00 0.00 C ATOM 800 CD LYS A 54 -1.956 4.159 5.661 1.00 0.00 C ATOM 801 CE LYS A 54 -3.086 4.377 6.670 1.00 0.00 C ATOM 802 NZ LYS A 54 -2.958 5.714 7.314 1.00 0.00 N ATOM 0 H LYS A 54 -2.632 6.525 2.005 1.00 0.00 H new ATOM 0 HA LYS A 54 0.050 6.477 3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.039 4.300 2.670 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.561 4.034 3.573 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.517 6.165 4.980 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.043 5.535 4.393 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.058 3.183 5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.991 4.168 6.169 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.050 4.299 6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.059 3.596 7.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.574 5.757 8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.971 5.867 7.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.240 6.453 6.639 1.00 0.00 H new ATOM 816 N SER A 55 1.328 5.783 1.308 1.00 0.00 N ATOM 817 CA SER A 55 2.118 5.335 0.143 1.00 0.00 C ATOM 818 C SER A 55 2.548 3.883 0.308 1.00 0.00 C ATOM 819 O SER A 55 3.491 3.437 -0.317 1.00 0.00 O ATOM 820 CB SER A 55 3.367 6.220 0.052 1.00 0.00 C ATOM 821 OG SER A 55 3.208 6.913 -1.175 1.00 0.00 O ATOM 0 H SER A 55 1.841 6.325 2.003 1.00 0.00 H new ATOM 0 HA SER A 55 1.512 5.413 -0.760 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.430 6.909 0.894 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.280 5.624 0.058 1.00 0.00 H new ATOM 0 HG SER A 55 3.929 6.661 -1.789 1.00 0.00 H new ATOM 827 N THR A 56 1.843 3.170 1.148 1.00 0.00 N ATOM 828 CA THR A 56 2.190 1.745 1.373 1.00 0.00 C ATOM 829 C THR A 56 0.939 0.888 1.455 1.00 0.00 C ATOM 830 O THR A 56 0.011 1.205 2.172 1.00 0.00 O ATOM 831 CB THR A 56 2.945 1.639 2.697 1.00 0.00 C ATOM 832 OG1 THR A 56 2.098 2.240 3.655 1.00 0.00 O ATOM 833 CG2 THR A 56 4.201 2.522 2.681 1.00 0.00 C ATOM 0 H THR A 56 1.046 3.515 1.683 1.00 0.00 H new ATOM 0 HA THR A 56 2.799 1.392 0.541 1.00 0.00 H new ATOM 0 HB THR A 56 3.213 0.600 2.890 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.164 2.130 3.381 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.722 2.430 3.634 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.860 2.202 1.874 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.913 3.561 2.523 1.00 0.00 H new ATOM 841 N ALA A 57 0.940 -0.185 0.711 1.00 0.00 N ATOM 842 CA ALA A 57 -0.235 -1.092 0.719 1.00 0.00 C ATOM 843 C ALA A 57 0.210 -2.540 0.783 1.00 0.00 C ATOM 844 O ALA A 57 1.368 -2.846 0.559 1.00 0.00 O ATOM 845 CB ALA A 57 -1.024 -0.881 -0.583 1.00 0.00 C ATOM 0 H ALA A 57 1.705 -0.470 0.099 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.850 -0.870 1.591 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.892 -1.541 -0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.355 0.156 -0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.385 -1.108 -1.436 1.00 0.00 H new ATOM 851 N THR A 58 -0.718 -3.405 1.090 1.00 0.00 N ATOM 852 CA THR A 58 -0.379 -4.844 1.176 1.00 0.00 C ATOM 853 C THR A 58 -1.450 -5.686 0.506 1.00 0.00 C ATOM 854 O THR A 58 -2.622 -5.366 0.564 1.00 0.00 O ATOM 855 CB THR A 58 -0.283 -5.237 2.661 1.00 0.00 C ATOM 856 OG1 THR A 58 0.526 -6.396 2.682 1.00 0.00 O ATOM 857 CG2 THR A 58 -1.645 -5.707 3.210 1.00 0.00 C ATOM 0 H THR A 58 -1.692 -3.173 1.284 1.00 0.00 H new ATOM 0 HA THR A 58 0.570 -5.020 0.669 1.00 0.00 H new ATOM 0 HB THR A 58 0.081 -4.389 3.240 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.724 -6.673 1.763 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.540 -5.977 4.261 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.374 -4.902 3.113 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.985 -6.575 2.645 1.00 0.00 H new ATOM 865 N ILE A 59 -1.020 -6.747 -0.127 1.00 0.00 N ATOM 866 CA ILE A 59 -1.983 -7.642 -0.819 1.00 0.00 C ATOM 867 C ILE A 59 -1.911 -9.037 -0.234 1.00 0.00 C ATOM 868 O ILE A 59 -0.936 -9.399 0.393 1.00 0.00 O ATOM 869 CB ILE A 59 -1.607 -7.710 -2.296 1.00 0.00 C ATOM 870 CG1 ILE A 59 -0.920 -6.420 -2.709 1.00 0.00 C ATOM 871 CG2 ILE A 59 -2.895 -7.869 -3.124 1.00 0.00 C ATOM 872 CD1 ILE A 59 -0.782 -6.388 -4.232 1.00 0.00 C ATOM 0 H ILE A 59 -0.042 -7.029 -0.192 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.993 -7.252 -0.695 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.935 -8.552 -2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.497 -5.561 -2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.062 -6.351 -2.241 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.643 -7.919 -4.183 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.406 -8.785 -2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.549 -7.015 -2.947 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.289 -5.464 -4.533 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.188 -7.240 -4.561 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.771 -6.437 -4.688 1.00 0.00 H new ATOM 884 N SER A 60 -2.941 -9.799 -0.448 1.00 0.00 N ATOM 885 CA SER A 60 -2.944 -11.174 0.094 1.00 0.00 C ATOM 886 C SER A 60 -3.728 -12.123 -0.809 1.00 0.00 C ATOM 887 O SER A 60 -4.763 -11.767 -1.340 1.00 0.00 O ATOM 888 CB SER A 60 -3.603 -11.144 1.481 1.00 0.00 C ATOM 889 OG SER A 60 -2.826 -12.046 2.252 1.00 0.00 O ATOM 0 H SER A 60 -3.774 -9.530 -0.971 1.00 0.00 H new ATOM 0 HA SER A 60 -1.916 -11.533 0.154 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.589 -10.141 1.907 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.646 -11.456 1.434 1.00 0.00 H new ATOM 0 HG SER A 60 -2.232 -12.554 1.661 1.00 0.00 H new ATOM 895 N GLY A 61 -3.213 -13.318 -0.962 1.00 0.00 N ATOM 896 CA GLY A 61 -3.900 -14.329 -1.826 1.00 0.00 C ATOM 897 C GLY A 61 -2.890 -14.940 -2.789 1.00 0.00 C ATOM 898 O GLY A 61 -3.131 -15.972 -3.386 1.00 0.00 O ATOM 0 H GLY A 61 -2.348 -13.637 -0.527 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.348 -15.108 -1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.711 -13.858 -2.382 1.00 0.00 H new ATOM 902 N LEU A 62 -1.776 -14.283 -2.913 1.00 0.00 N ATOM 903 CA LEU A 62 -0.722 -14.782 -3.820 1.00 0.00 C ATOM 904 C LEU A 62 0.138 -15.838 -3.141 1.00 0.00 C ATOM 905 O LEU A 62 0.073 -16.024 -1.941 1.00 0.00 O ATOM 906 CB LEU A 62 0.178 -13.571 -4.264 1.00 0.00 C ATOM 907 CG LEU A 62 1.102 -13.041 -3.105 1.00 0.00 C ATOM 908 CD1 LEU A 62 0.297 -12.830 -1.809 1.00 0.00 C ATOM 909 CD2 LEU A 62 2.273 -14.013 -2.838 1.00 0.00 C ATOM 0 H LEU A 62 -1.552 -13.418 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.195 -15.243 -4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.798 -13.875 -5.107 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.460 -12.759 -4.614 1.00 0.00 H new ATOM 0 HG LEU A 62 1.509 -12.082 -3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.959 -12.464 -1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.493 -12.101 -1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.146 -13.776 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.895 -13.621 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.879 -14.988 -2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.873 -14.117 -3.742 1.00 0.00 H new ATOM 921 N LYS A 63 0.920 -16.525 -3.935 1.00 0.00 N ATOM 922 CA LYS A 63 1.803 -17.575 -3.381 1.00 0.00 C ATOM 923 C LYS A 63 3.222 -17.431 -4.003 1.00 0.00 C ATOM 924 O LYS A 63 3.343 -17.365 -5.212 1.00 0.00 O ATOM 925 CB LYS A 63 1.231 -18.948 -3.787 1.00 0.00 C ATOM 926 CG LYS A 63 1.056 -19.830 -2.538 1.00 0.00 C ATOM 927 CD LYS A 63 -0.226 -19.422 -1.805 1.00 0.00 C ATOM 928 CE LYS A 63 -0.238 -20.062 -0.414 1.00 0.00 C ATOM 929 NZ LYS A 63 -1.624 -20.440 -0.036 1.00 0.00 N ATOM 0 H LYS A 63 0.979 -16.398 -4.945 1.00 0.00 H new ATOM 0 HA LYS A 63 1.861 -17.483 -2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.272 -18.819 -4.289 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.900 -19.435 -4.497 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.006 -20.880 -2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.916 -19.720 -1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.280 -18.337 -1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.100 -19.741 -2.372 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.402 -20.944 -0.406 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.170 -19.365 0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.620 -20.873 0.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.225 -19.591 -0.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.999 -21.121 -0.727 1.00 0.00 H new ATOM 943 N PRO A 64 4.288 -17.378 -3.181 1.00 0.00 N ATOM 944 CA PRO A 64 5.640 -17.242 -3.728 1.00 0.00 C ATOM 945 C PRO A 64 5.974 -18.371 -4.704 1.00 0.00 C ATOM 946 O PRO A 64 6.091 -19.515 -4.311 1.00 0.00 O ATOM 947 CB PRO A 64 6.580 -17.327 -2.502 1.00 0.00 C ATOM 948 CG PRO A 64 5.685 -17.433 -1.231 1.00 0.00 C ATOM 949 CD PRO A 64 4.223 -17.458 -1.703 1.00 0.00 C ATOM 0 HA PRO A 64 5.742 -16.310 -4.283 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.236 -18.193 -2.582 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.220 -16.446 -2.448 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.923 -18.336 -0.668 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.860 -16.587 -0.566 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.721 -18.370 -1.380 1.00 0.00 H new ATOM 0 HD3 PRO A 64 3.661 -16.621 -1.288 1.00 0.00 H new ATOM 957 N GLY A 65 6.121 -18.028 -5.969 1.00 0.00 N ATOM 958 CA GLY A 65 6.450 -19.084 -6.979 1.00 0.00 C ATOM 959 C GLY A 65 5.706 -18.851 -8.305 1.00 0.00 C ATOM 960 O GLY A 65 5.518 -19.774 -9.073 1.00 0.00 O ATOM 0 H GLY A 65 6.029 -17.081 -6.336 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.525 -19.092 -7.161 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.187 -20.064 -6.581 1.00 0.00 H new ATOM 964 N VAL A 66 5.295 -17.633 -8.554 1.00 0.00 N ATOM 965 CA VAL A 66 4.573 -17.370 -9.825 1.00 0.00 C ATOM 966 C VAL A 66 4.763 -15.929 -10.306 1.00 0.00 C ATOM 967 O VAL A 66 5.098 -15.040 -9.537 1.00 0.00 O ATOM 968 CB VAL A 66 3.079 -17.620 -9.583 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.609 -16.753 -8.418 1.00 0.00 C ATOM 970 CG2 VAL A 66 2.286 -17.250 -10.846 1.00 0.00 C ATOM 0 H VAL A 66 5.427 -16.827 -7.943 1.00 0.00 H new ATOM 0 HA VAL A 66 4.973 -18.031 -10.594 1.00 0.00 H new ATOM 0 HB VAL A 66 2.917 -18.672 -9.349 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.548 -16.926 -8.241 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.173 -17.011 -7.522 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.770 -15.702 -8.658 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.224 -17.428 -10.674 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.445 -16.197 -11.080 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.626 -17.862 -11.681 1.00 0.00 H new ATOM 980 N ASP A 67 4.547 -15.735 -11.578 1.00 0.00 N ATOM 981 CA ASP A 67 4.699 -14.383 -12.160 1.00 0.00 C ATOM 982 C ASP A 67 3.548 -13.484 -11.743 1.00 0.00 C ATOM 983 O ASP A 67 2.435 -13.942 -11.570 1.00 0.00 O ATOM 984 CB ASP A 67 4.693 -14.518 -13.689 1.00 0.00 C ATOM 985 CG ASP A 67 5.803 -13.649 -14.280 1.00 0.00 C ATOM 986 OD1 ASP A 67 6.948 -13.997 -14.039 1.00 0.00 O ATOM 987 OD2 ASP A 67 5.446 -12.689 -14.941 1.00 0.00 O ATOM 0 H ASP A 67 4.271 -16.462 -12.238 1.00 0.00 H new ATOM 0 HA ASP A 67 5.631 -13.941 -11.806 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.841 -15.560 -13.974 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.726 -14.213 -14.088 1.00 0.00 H new ATOM 992 N TYR A 68 3.830 -12.217 -11.586 1.00 0.00 N ATOM 993 CA TYR A 68 2.763 -11.292 -11.183 1.00 0.00 C ATOM 994 C TYR A 68 2.969 -9.905 -11.775 1.00 0.00 C ATOM 995 O TYR A 68 4.024 -9.315 -11.634 1.00 0.00 O ATOM 996 CB TYR A 68 2.794 -11.182 -9.664 1.00 0.00 C ATOM 997 CG TYR A 68 1.572 -11.897 -9.090 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.302 -11.415 -9.332 1.00 0.00 C ATOM 999 CD2 TYR A 68 1.720 -13.049 -8.347 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.802 -12.078 -8.840 1.00 0.00 C ATOM 1001 CE2 TYR A 68 0.616 -13.711 -7.857 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.654 -13.230 -8.099 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.758 -13.891 -7.606 1.00 0.00 O ATOM 0 H TYR A 68 4.750 -11.797 -11.721 1.00 0.00 H new ATOM 0 HA TYR A 68 1.808 -11.675 -11.544 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.709 -11.627 -9.273 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.794 -10.135 -9.362 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.172 -10.512 -9.911 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.709 -13.435 -8.148 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.791 -11.691 -9.037 1.00 0.00 H new ATOM 0 HE2 TYR A 68 0.746 -14.614 -7.279 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.469 -14.684 -7.108 1.00 0.00 H new ATOM 1013 N THR A 69 1.947 -9.418 -12.433 1.00 0.00 N ATOM 1014 CA THR A 69 2.029 -8.070 -13.051 1.00 0.00 C ATOM 1015 C THR A 69 1.106 -7.122 -12.307 1.00 0.00 C ATOM 1016 O THR A 69 -0.041 -7.455 -12.060 1.00 0.00 O ATOM 1017 CB THR A 69 1.569 -8.171 -14.513 1.00 0.00 C ATOM 1018 OG1 THR A 69 2.700 -8.619 -15.232 1.00 0.00 O ATOM 1019 CG2 THR A 69 1.273 -6.776 -15.090 1.00 0.00 C ATOM 0 H THR A 69 1.059 -9.902 -12.566 1.00 0.00 H new ATOM 0 HA THR A 69 3.053 -7.699 -13.003 1.00 0.00 H new ATOM 0 HB THR A 69 0.687 -8.808 -14.579 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.471 -8.707 -16.181 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.949 -6.872 -16.126 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.485 -6.300 -14.506 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.175 -6.166 -15.047 1.00 0.00 H new ATOM 1027 N ILE A 70 1.613 -5.957 -11.957 1.00 0.00 N ATOM 1028 CA ILE A 70 0.756 -4.981 -11.219 1.00 0.00 C ATOM 1029 C ILE A 70 0.588 -3.682 -11.980 1.00 0.00 C ATOM 1030 O ILE A 70 1.421 -3.303 -12.784 1.00 0.00 O ATOM 1031 CB ILE A 70 1.407 -4.681 -9.873 1.00 0.00 C ATOM 1032 CG1 ILE A 70 2.828 -4.181 -10.075 1.00 0.00 C ATOM 1033 CG2 ILE A 70 1.455 -5.984 -9.059 1.00 0.00 C ATOM 1034 CD1 ILE A 70 3.002 -2.860 -9.322 1.00 0.00 C ATOM 0 H ILE A 70 2.566 -5.649 -12.149 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.231 -5.426 -11.093 1.00 0.00 H new ATOM 0 HB ILE A 70 0.830 -3.916 -9.353 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.542 -4.919 -9.711 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.030 -4.039 -11.137 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.918 -5.791 -8.091 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.442 -6.357 -8.909 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.040 -6.729 -9.599 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.019 -2.493 -9.461 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.295 -2.125 -9.708 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.816 -3.019 -8.260 1.00 0.00 H new ATOM 1046 N THR A 71 -0.500 -3.024 -11.700 1.00 0.00 N ATOM 1047 CA THR A 71 -0.795 -1.748 -12.361 1.00 0.00 C ATOM 1048 C THR A 71 -1.275 -0.717 -11.340 1.00 0.00 C ATOM 1049 O THR A 71 -2.136 -1.008 -10.535 1.00 0.00 O ATOM 1050 CB THR A 71 -1.929 -2.010 -13.340 1.00 0.00 C ATOM 1051 OG1 THR A 71 -2.529 -3.208 -12.890 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.403 -2.348 -14.741 1.00 0.00 C ATOM 0 H THR A 71 -1.203 -3.331 -11.028 1.00 0.00 H new ATOM 0 HA THR A 71 0.098 -1.366 -12.855 1.00 0.00 H new ATOM 0 HB THR A 71 -2.578 -1.135 -13.388 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.502 -3.093 -12.853 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.243 -2.529 -15.411 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.811 -1.514 -15.118 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.781 -3.242 -14.690 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.707 0.469 -11.392 1.00 0.00 N ATOM 1061 CA VAL A 72 -1.123 1.537 -10.426 1.00 0.00 C ATOM 1062 C VAL A 72 -1.620 2.766 -11.174 1.00 0.00 C ATOM 1063 O VAL A 72 -1.085 3.121 -12.205 1.00 0.00 O ATOM 1064 CB VAL A 72 0.098 1.942 -9.578 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.671 0.700 -8.895 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.158 2.550 -10.494 1.00 0.00 C ATOM 0 H VAL A 72 0.019 0.740 -12.055 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.924 1.152 -9.795 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.199 2.669 -8.822 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.535 0.982 -8.294 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.089 0.255 -8.252 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.975 -0.023 -9.651 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.027 2.840 -9.903 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.457 1.816 -11.242 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.748 3.429 -10.992 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.638 3.390 -10.636 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.200 4.605 -11.292 1.00 0.00 C ATOM 1078 C TYR A 73 -3.246 5.761 -10.304 1.00 0.00 C ATOM 1079 O TYR A 73 -3.694 5.598 -9.185 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.637 4.300 -11.724 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.668 3.761 -13.152 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -4.200 2.494 -13.436 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -5.207 4.517 -14.169 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -4.276 1.992 -14.718 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -5.284 4.017 -15.450 1.00 0.00 C ATOM 1086 CZ TYR A 73 -4.819 2.750 -15.737 1.00 0.00 C ATOM 1087 OH TYR A 73 -4.900 2.249 -17.019 1.00 0.00 O ATOM 0 H TYR A 73 -3.102 3.109 -9.772 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.575 4.873 -12.144 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.079 3.571 -11.045 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.242 5.205 -11.658 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.771 1.892 -12.649 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.573 5.511 -13.960 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.908 0.998 -14.927 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.712 4.621 -16.236 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.310 2.918 -17.606 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.788 6.906 -10.735 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.795 8.091 -9.835 1.00 0.00 C ATOM 1099 C ALA A 74 -3.871 9.081 -10.261 1.00 0.00 C ATOM 1100 O ALA A 74 -3.736 9.737 -11.279 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.426 8.776 -9.937 1.00 0.00 C ATOM 0 H ALA A 74 -2.411 7.070 -11.668 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.000 7.769 -8.814 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.407 9.649 -9.285 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.646 8.078 -9.632 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.251 9.088 -10.967 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.922 9.178 -9.471 1.00 0.00 N ATOM 1108 CA VAL A 75 -6.018 10.124 -9.821 1.00 0.00 C ATOM 1109 C VAL A 75 -6.047 11.316 -8.876 1.00 0.00 C ATOM 1110 O VAL A 75 -6.330 11.177 -7.686 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.348 9.376 -9.718 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.369 10.045 -10.639 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -7.139 7.929 -10.167 1.00 0.00 C ATOM 0 H VAL A 75 -5.060 8.647 -8.611 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.851 10.497 -10.831 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.709 9.397 -8.690 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.320 9.518 -10.571 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.507 11.083 -10.336 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.008 10.012 -11.667 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.082 7.387 -10.097 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.788 7.915 -11.199 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.398 7.452 -9.525 1.00 0.00 H new ATOM 1123 N THR A 76 -5.751 12.473 -9.430 1.00 0.00 N ATOM 1124 CA THR A 76 -5.744 13.718 -8.619 1.00 0.00 C ATOM 1125 C THR A 76 -6.851 14.661 -9.088 1.00 0.00 C ATOM 1126 O THR A 76 -7.173 15.628 -8.426 1.00 0.00 O ATOM 1127 CB THR A 76 -4.380 14.406 -8.804 1.00 0.00 C ATOM 1128 OG1 THR A 76 -3.511 13.751 -7.903 1.00 0.00 O ATOM 1129 CG2 THR A 76 -4.423 15.857 -8.307 1.00 0.00 C ATOM 0 H THR A 76 -5.514 12.599 -10.414 1.00 0.00 H new ATOM 0 HA THR A 76 -5.913 13.474 -7.570 1.00 0.00 H new ATOM 0 HB THR A 76 -4.090 14.372 -9.854 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.615 14.142 -7.970 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.446 16.319 -8.449 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.173 16.412 -8.870 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.680 15.871 -7.248 1.00 0.00 H new ATOM 1266 N PRO A 87 -0.644 6.810 -15.550 1.00 0.00 N ATOM 1267 CA PRO A 87 -0.606 5.476 -14.953 1.00 0.00 C ATOM 1268 C PRO A 87 0.622 4.695 -15.420 1.00 0.00 C ATOM 1269 O PRO A 87 1.233 5.034 -16.413 1.00 0.00 O ATOM 1270 CB PRO A 87 -1.894 4.781 -15.454 1.00 0.00 C ATOM 1271 CG PRO A 87 -2.703 5.836 -16.272 1.00 0.00 C ATOM 1272 CD PRO A 87 -1.877 7.132 -16.291 1.00 0.00 C ATOM 0 HA PRO A 87 -0.548 5.526 -13.866 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.649 3.919 -16.075 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.483 4.412 -14.614 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -2.883 5.480 -17.286 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.678 6.009 -15.817 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.654 7.443 -17.312 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.418 7.952 -15.819 1.00 0.00 H new ATOM 1280 N ILE A 88 0.965 3.663 -14.693 1.00 0.00 N ATOM 1281 CA ILE A 88 2.149 2.863 -15.092 1.00 0.00 C ATOM 1282 C ILE A 88 2.018 1.421 -14.610 1.00 0.00 C ATOM 1283 O ILE A 88 1.177 1.113 -13.787 1.00 0.00 O ATOM 1284 CB ILE A 88 3.397 3.499 -14.463 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.647 2.734 -14.900 1.00 0.00 C ATOM 1286 CG2 ILE A 88 3.273 3.434 -12.920 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.844 3.689 -14.907 1.00 0.00 C ATOM 0 H ILE A 88 0.481 3.347 -13.853 1.00 0.00 H new ATOM 0 HA ILE A 88 2.227 2.854 -16.179 1.00 0.00 H new ATOM 0 HB ILE A 88 3.479 4.536 -14.789 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.834 1.902 -14.222 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.500 2.309 -15.893 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.155 3.884 -12.465 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.384 3.979 -12.603 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.193 2.394 -12.605 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.738 3.149 -15.218 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.653 4.506 -15.603 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.993 4.092 -13.905 1.00 0.00 H new ATOM 1299 N SER A 89 2.852 0.564 -15.131 1.00 0.00 N ATOM 1300 CA SER A 89 2.791 -0.858 -14.717 1.00 0.00 C ATOM 1301 C SER A 89 4.172 -1.501 -14.778 1.00 0.00 C ATOM 1302 O SER A 89 5.046 -1.033 -15.480 1.00 0.00 O ATOM 1303 CB SER A 89 1.874 -1.593 -15.698 1.00 0.00 C ATOM 1304 OG SER A 89 2.525 -1.453 -16.951 1.00 0.00 O ATOM 0 H SER A 89 3.568 0.789 -15.822 1.00 0.00 H new ATOM 0 HA SER A 89 2.420 -0.919 -13.694 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.757 -2.642 -15.425 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.876 -1.155 -15.716 1.00 0.00 H new ATOM 0 HG SER A 89 1.999 -1.902 -17.645 1.00 0.00 H new ATOM 1310 N ILE A 90 4.346 -2.562 -14.040 1.00 0.00 N ATOM 1311 CA ILE A 90 5.666 -3.242 -14.050 1.00 0.00 C ATOM 1312 C ILE A 90 5.506 -4.738 -13.814 1.00 0.00 C ATOM 1313 O ILE A 90 4.721 -5.165 -12.981 1.00 0.00 O ATOM 1314 CB ILE A 90 6.551 -2.654 -12.939 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.691 -1.913 -11.913 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.535 -1.653 -13.580 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.578 -1.397 -10.769 1.00 0.00 C ATOM 0 H ILE A 90 3.638 -2.982 -13.437 1.00 0.00 H new ATOM 0 HA ILE A 90 6.127 -3.086 -15.025 1.00 0.00 H new ATOM 0 HB ILE A 90 7.088 -3.459 -12.437 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.175 -1.080 -12.390 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.923 -2.579 -11.519 1.00 0.00 H new ATOM 0 HG21 ILE A 90 8.173 -1.224 -12.807 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.153 -2.170 -14.315 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.976 -0.857 -14.072 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.962 -0.870 -10.040 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.073 -2.239 -10.284 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.329 -0.716 -11.170 1.00 0.00 H new ATOM 1329 N ASN A 91 6.248 -5.507 -14.565 1.00 0.00 N ATOM 1330 CA ASN A 91 6.173 -6.969 -14.421 1.00 0.00 C ATOM 1331 C ASN A 91 7.293 -7.475 -13.517 1.00 0.00 C ATOM 1332 O ASN A 91 8.410 -7.001 -13.589 1.00 0.00 O ATOM 1333 CB ASN A 91 6.346 -7.577 -15.818 1.00 0.00 C ATOM 1334 CG ASN A 91 7.660 -8.356 -15.878 1.00 0.00 C ATOM 1335 OD1 ASN A 91 8.732 -7.784 -15.887 1.00 0.00 O ATOM 1336 ND2 ASN A 91 7.623 -9.659 -15.923 1.00 0.00 N ATOM 0 H ASN A 91 6.903 -5.173 -15.272 1.00 0.00 H new ATOM 0 HA ASN A 91 5.218 -7.252 -13.978 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.509 -8.238 -16.045 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.344 -6.789 -16.572 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.491 -10.193 -15.965 1.00 0.00 H new ATOM 0 HD22 ASN A 91 6.726 -10.144 -15.916 1.00 0.00 H new ATOM 1343 N TYR A 92 6.978 -8.423 -12.675 1.00 0.00 N ATOM 1344 CA TYR A 92 8.025 -8.958 -11.767 1.00 0.00 C ATOM 1345 C TYR A 92 7.615 -10.307 -11.196 1.00 0.00 C ATOM 1346 O TYR A 92 6.446 -10.569 -10.990 1.00 0.00 O ATOM 1347 CB TYR A 92 8.207 -7.967 -10.606 1.00 0.00 C ATOM 1348 CG TYR A 92 9.287 -8.494 -9.656 1.00 0.00 C ATOM 1349 CD1 TYR A 92 10.591 -8.631 -10.086 1.00 0.00 C ATOM 1350 CD2 TYR A 92 8.973 -8.836 -8.354 1.00 0.00 C ATOM 1351 CE1 TYR A 92 11.568 -9.100 -9.232 1.00 0.00 C ATOM 1352 CE2 TYR A 92 9.951 -9.305 -7.499 1.00 0.00 C ATOM 1353 CZ TYR A 92 11.257 -9.440 -7.932 1.00 0.00 C ATOM 1354 OH TYR A 92 12.236 -9.906 -7.077 1.00 0.00 O ATOM 0 H TYR A 92 6.053 -8.843 -12.579 1.00 0.00 H new ATOM 0 HA TYR A 92 8.950 -9.086 -12.329 1.00 0.00 H new ATOM 0 HB2 TYR A 92 8.491 -6.987 -10.990 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.266 -7.839 -10.071 1.00 0.00 H new ATOM 0 HD1 TYR A 92 10.849 -8.368 -11.101 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.957 -8.736 -8.003 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.584 -9.202 -9.584 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.693 -9.568 -6.484 1.00 0.00 H new ATOM 0 HH TYR A 92 11.841 -10.096 -6.200 1.00 0.00 H new ATOM 1364 N ARG A 93 8.586 -11.145 -10.953 1.00 0.00 N ATOM 1365 CA ARG A 93 8.271 -12.479 -10.395 1.00 0.00 C ATOM 1366 C ARG A 93 8.245 -12.429 -8.875 1.00 0.00 C ATOM 1367 O ARG A 93 9.237 -12.100 -8.250 1.00 0.00 O ATOM 1368 CB ARG A 93 9.359 -13.463 -10.846 1.00 0.00 C ATOM 1369 CG ARG A 93 9.777 -13.128 -12.279 1.00 0.00 C ATOM 1370 CD ARG A 93 10.262 -14.405 -12.970 1.00 0.00 C ATOM 1371 NE ARG A 93 10.771 -14.059 -14.327 1.00 0.00 N ATOM 1372 CZ ARG A 93 10.365 -14.750 -15.355 1.00 0.00 C ATOM 1373 NH1 ARG A 93 10.785 -15.976 -15.496 1.00 0.00 N ATOM 1374 NH2 ARG A 93 9.551 -14.191 -16.210 1.00 0.00 N ATOM 0 H ARG A 93 9.576 -10.960 -11.117 1.00 0.00 H new ATOM 0 HA ARG A 93 7.291 -12.797 -10.751 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.220 -13.403 -10.180 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.986 -14.486 -10.793 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.937 -12.700 -12.826 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.569 -12.379 -12.275 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.049 -14.876 -12.381 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.447 -15.125 -13.046 1.00 0.00 H new ATOM 0 HE ARG A 93 11.430 -13.290 -14.450 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.421 -16.380 -14.808 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.478 -16.532 -16.294 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.243 -13.229 -16.067 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.223 -14.716 -17.020 1.00 0.00 H new ATOM 1388 N THR A 94 7.105 -12.757 -8.303 1.00 0.00 N ATOM 1389 CA THR A 94 6.989 -12.735 -6.811 1.00 0.00 C ATOM 1390 C THR A 94 6.596 -14.109 -6.290 1.00 0.00 C ATOM 1391 O THR A 94 6.390 -14.966 -7.133 1.00 0.00 O ATOM 1392 CB THR A 94 5.899 -11.713 -6.416 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.387 -11.229 -7.640 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.511 -10.461 -5.731 1.00 0.00 C ATOM 1395 OXT THR A 94 6.525 -14.231 -5.079 1.00 0.00 O ATOM 0 H THR A 94 6.260 -13.036 -8.802 1.00 0.00 H new ATOM 0 HA THR A 94 7.950 -12.457 -6.379 1.00 0.00 H new ATOM 0 HB THR A 94 5.179 -12.189 -5.751 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.683 -10.571 -7.463 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.715 -9.765 -5.467 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.042 -10.763 -4.828 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.206 -9.975 -6.416 1.00 0.00 H new