USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 820 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 72 THR OG1 : rot -30:sc= -0.422 USER MOD Set 1.2: A 89 SER OG : rot 106:sc= -0.497 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 112:sc= 0.283 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.407 X(o=-0.41,f=0) USER MOD Single : A 27 SER OG : rot -85:sc= -0.218 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.755 USER MOD Single : A 68 LYS NZ :NH3+ -116:sc= 0.00695 (180deg=-0.212) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 98 HIS : no HD1:sc= -0.0553 X(o=-0.055,f=0.0032) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 4 14.443 -5.683 0.357 1.00 0.00 N ATOM 44 CA GLU A 4 13.730 -4.896 1.402 1.00 0.00 C ATOM 45 C GLU A 4 13.267 -3.565 0.808 1.00 0.00 C ATOM 46 O GLU A 4 14.063 -2.765 0.358 1.00 0.00 O ATOM 47 CB GLU A 4 14.676 -4.631 2.576 1.00 0.00 C ATOM 48 CG GLU A 4 13.915 -4.797 3.892 1.00 0.00 C ATOM 49 CD GLU A 4 14.442 -6.027 4.636 1.00 0.00 C ATOM 50 OE1 GLU A 4 15.114 -6.829 4.011 1.00 0.00 O ATOM 51 OE2 GLU A 4 14.163 -6.144 5.818 1.00 0.00 O ATOM 0 HA GLU A 4 12.865 -5.458 1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 4 15.518 -5.322 2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 4 15.087 -3.624 2.506 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.036 -3.906 4.509 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.848 -4.907 3.696 1.00 0.00 H new ATOM 58 N ILE A 5 11.985 -3.320 0.803 1.00 0.00 N ATOM 59 CA ILE A 5 11.474 -2.040 0.237 1.00 0.00 C ATOM 60 C ILE A 5 10.281 -1.556 1.064 1.00 0.00 C ATOM 61 O ILE A 5 9.541 -2.341 1.623 1.00 0.00 O ATOM 62 CB ILE A 5 11.030 -2.265 -1.210 1.00 0.00 C ATOM 63 CG1 ILE A 5 10.399 -3.653 -1.337 1.00 0.00 C ATOM 64 CG2 ILE A 5 12.242 -2.171 -2.138 1.00 0.00 C ATOM 65 CD1 ILE A 5 9.936 -3.876 -2.777 1.00 0.00 C ATOM 0 H ILE A 5 11.270 -3.951 1.166 1.00 0.00 H new ATOM 0 HA ILE A 5 12.264 -1.290 0.264 1.00 0.00 H new ATOM 0 HB ILE A 5 10.300 -1.504 -1.488 1.00 0.00 H new ATOM 0 HG12 ILE A 5 11.121 -4.419 -1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 5 9.554 -3.743 -0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.925 -2.331 -3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 5 12.694 -1.183 -2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 5 12.972 -2.931 -1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.487 -4.865 -2.866 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.200 -3.118 -3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.791 -3.804 -3.449 1.00 0.00 H new ATOM 77 N ARG A 6 10.086 -0.268 1.143 1.00 0.00 N ATOM 78 CA ARG A 6 8.938 0.265 1.931 1.00 0.00 C ATOM 79 C ARG A 6 7.827 0.698 0.973 1.00 0.00 C ATOM 80 O ARG A 6 8.050 1.462 0.055 1.00 0.00 O ATOM 81 CB ARG A 6 9.399 1.468 2.756 1.00 0.00 C ATOM 82 CG ARG A 6 10.811 1.214 3.283 1.00 0.00 C ATOM 83 CD ARG A 6 11.063 2.091 4.512 1.00 0.00 C ATOM 84 NE ARG A 6 11.111 1.236 5.731 1.00 0.00 N ATOM 85 CZ ARG A 6 12.249 1.023 6.334 1.00 0.00 C ATOM 86 NH1 ARG A 6 13.179 0.326 5.742 1.00 0.00 N ATOM 87 NH2 ARG A 6 12.455 1.505 7.528 1.00 0.00 N ATOM 0 H ARG A 6 10.671 0.438 0.696 1.00 0.00 H new ATOM 0 HA ARG A 6 8.563 -0.509 2.600 1.00 0.00 H new ATOM 0 HB2 ARG A 6 9.385 2.369 2.143 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.714 1.636 3.587 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.930 0.162 3.543 1.00 0.00 H new ATOM 0 HG3 ARG A 6 11.545 1.436 2.508 1.00 0.00 H new ATOM 0 HD2 ARG A 6 12.001 2.634 4.398 1.00 0.00 H new ATOM 0 HD3 ARG A 6 10.273 2.836 4.608 1.00 0.00 H new ATOM 0 HE ARG A 6 10.255 0.817 6.094 1.00 0.00 H new ATOM 0 HH11 ARG A 6 13.017 -0.052 4.809 1.00 0.00 H new ATOM 0 HH12 ARG A 6 14.069 0.159 6.212 1.00 0.00 H new ATOM 0 HH21 ARG A 6 11.727 2.049 7.991 1.00 0.00 H new ATOM 0 HH22 ARG A 6 13.344 1.338 7.999 1.00 0.00 H new ATOM 101 N LEU A 7 6.632 0.216 1.175 1.00 0.00 N ATOM 102 CA LEU A 7 5.514 0.604 0.269 1.00 0.00 C ATOM 103 C LEU A 7 4.273 0.944 1.095 1.00 0.00 C ATOM 104 O LEU A 7 4.143 0.541 2.234 1.00 0.00 O ATOM 105 CB LEU A 7 5.194 -0.560 -0.673 1.00 0.00 C ATOM 106 CG LEU A 7 6.495 -1.148 -1.221 1.00 0.00 C ATOM 107 CD1 LEU A 7 6.798 -2.469 -0.512 1.00 0.00 C ATOM 108 CD2 LEU A 7 6.348 -1.397 -2.724 1.00 0.00 C ATOM 0 H LEU A 7 6.381 -0.428 1.926 1.00 0.00 H new ATOM 0 HA LEU A 7 5.810 1.477 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.632 -1.328 -0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.565 -0.215 -1.494 1.00 0.00 H new ATOM 0 HG LEU A 7 7.312 -0.448 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.725 -2.887 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.903 -2.292 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.982 -3.170 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.275 -1.816 -3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.531 -2.097 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.133 -0.455 -3.230 1.00 0.00 H new ATOM 120 N TYR A 8 3.357 1.680 0.527 1.00 0.00 N ATOM 121 CA TYR A 8 2.122 2.044 1.275 1.00 0.00 C ATOM 122 C TYR A 8 0.921 1.352 0.626 1.00 0.00 C ATOM 123 O TYR A 8 0.376 1.821 -0.354 1.00 0.00 O ATOM 124 CB TYR A 8 1.926 3.561 1.232 1.00 0.00 C ATOM 125 CG TYR A 8 0.610 3.921 1.879 1.00 0.00 C ATOM 126 CD1 TYR A 8 0.169 3.220 3.009 1.00 0.00 C ATOM 127 CD2 TYR A 8 -0.171 4.958 1.350 1.00 0.00 C ATOM 128 CE1 TYR A 8 -1.052 3.554 3.610 1.00 0.00 C ATOM 129 CE2 TYR A 8 -1.392 5.292 1.950 1.00 0.00 C ATOM 130 CZ TYR A 8 -1.833 4.590 3.080 1.00 0.00 C ATOM 131 OH TYR A 8 -3.035 4.919 3.671 1.00 0.00 O ATOM 0 H TYR A 8 3.411 2.045 -0.424 1.00 0.00 H new ATOM 0 HA TYR A 8 2.213 1.723 2.313 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.746 4.058 1.751 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.943 3.911 0.200 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.771 2.421 3.417 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.169 5.500 0.480 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.391 3.013 4.481 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.994 6.091 1.542 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.449 5.659 3.180 1.00 0.00 H new ATOM 141 N ILE A 9 0.508 0.236 1.164 1.00 0.00 N ATOM 142 CA ILE A 9 -0.654 -0.490 0.577 1.00 0.00 C ATOM 143 C ILE A 9 -1.933 -0.087 1.313 1.00 0.00 C ATOM 144 O ILE A 9 -2.035 -0.214 2.517 1.00 0.00 O ATOM 145 CB ILE A 9 -0.437 -1.997 0.722 1.00 0.00 C ATOM 146 CG1 ILE A 9 0.880 -2.390 0.048 1.00 0.00 C ATOM 147 CG2 ILE A 9 -1.592 -2.745 0.056 1.00 0.00 C ATOM 148 CD1 ILE A 9 1.346 -3.743 0.590 1.00 0.00 C ATOM 0 H ILE A 9 0.925 -0.204 1.984 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.747 -0.234 -0.479 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.397 -2.258 1.780 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.746 -2.446 -1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.638 -1.630 0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.438 -3.819 0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.531 -2.466 0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.633 -2.484 -1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.284 -4.024 0.111 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.496 -3.671 1.667 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.590 -4.499 0.379 1.00 0.00 H new ATOM 160 N THR A 10 -2.913 0.393 0.597 1.00 0.00 N ATOM 161 CA THR A 10 -4.186 0.800 1.256 1.00 0.00 C ATOM 162 C THR A 10 -4.719 -0.362 2.095 1.00 0.00 C ATOM 163 O THR A 10 -4.853 -1.473 1.622 1.00 0.00 O ATOM 164 CB THR A 10 -5.217 1.171 0.187 1.00 0.00 C ATOM 165 OG1 THR A 10 -4.884 0.524 -1.035 1.00 0.00 O ATOM 166 CG2 THR A 10 -5.218 2.686 -0.020 1.00 0.00 C ATOM 0 H THR A 10 -2.887 0.521 -0.415 1.00 0.00 H new ATOM 0 HA THR A 10 -4.003 1.660 1.900 1.00 0.00 H new ATOM 0 HB THR A 10 -6.207 0.851 0.510 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.560 -0.156 -1.240 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.952 2.949 -0.781 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.474 3.181 0.917 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.229 3.010 -0.343 1.00 0.00 H new ATOM 174 N GLU A 11 -5.028 -0.117 3.340 1.00 0.00 N ATOM 175 CA GLU A 11 -5.553 -1.209 4.206 1.00 0.00 C ATOM 176 C GLU A 11 -6.893 -1.695 3.652 1.00 0.00 C ATOM 177 O GLU A 11 -7.694 -0.920 3.169 1.00 0.00 O ATOM 178 CB GLU A 11 -5.747 -0.683 5.630 1.00 0.00 C ATOM 179 CG GLU A 11 -4.996 -1.582 6.613 1.00 0.00 C ATOM 180 CD GLU A 11 -3.512 -1.620 6.242 1.00 0.00 C ATOM 181 OE1 GLU A 11 -3.126 -0.888 5.346 1.00 0.00 O ATOM 182 OE2 GLU A 11 -2.786 -2.381 6.860 1.00 0.00 O ATOM 0 H GLU A 11 -4.939 0.792 3.794 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.844 -2.037 4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.380 0.341 5.704 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.808 -0.660 5.879 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.118 -1.208 7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.413 -2.589 6.592 1.00 0.00 H new ATOM 189 N GLY A 12 -7.146 -2.974 3.719 1.00 0.00 N ATOM 190 CA GLY A 12 -8.435 -3.505 3.194 1.00 0.00 C ATOM 191 C GLY A 12 -8.794 -4.801 3.925 1.00 0.00 C ATOM 192 O GLY A 12 -8.000 -5.347 4.665 1.00 0.00 O ATOM 0 H GLY A 12 -6.517 -3.673 4.114 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.226 -2.768 3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.354 -3.691 2.123 1.00 0.00 H new ATOM 196 N GLU A 13 -9.985 -5.296 3.724 1.00 0.00 N ATOM 197 CA GLU A 13 -10.395 -6.556 4.406 1.00 0.00 C ATOM 198 C GLU A 13 -11.236 -7.404 3.449 1.00 0.00 C ATOM 199 O GLU A 13 -12.366 -7.743 3.737 1.00 0.00 O ATOM 200 CB GLU A 13 -11.223 -6.216 5.648 1.00 0.00 C ATOM 201 CG GLU A 13 -11.063 -7.324 6.691 1.00 0.00 C ATOM 202 CD GLU A 13 -12.442 -7.845 7.101 1.00 0.00 C ATOM 203 OE1 GLU A 13 -13.342 -7.792 6.278 1.00 0.00 O ATOM 204 OE2 GLU A 13 -12.574 -8.287 8.230 1.00 0.00 O ATOM 0 H GLU A 13 -10.692 -4.882 3.117 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.507 -7.115 4.702 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.899 -5.262 6.064 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.273 -6.106 5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.462 -8.137 6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.533 -6.942 7.564 1.00 0.00 H new ATOM 211 N VAL A 14 -10.697 -7.746 2.310 1.00 0.00 N ATOM 212 CA VAL A 14 -11.471 -8.570 1.339 1.00 0.00 C ATOM 213 C VAL A 14 -10.536 -9.563 0.642 1.00 0.00 C ATOM 214 O VAL A 14 -9.364 -9.647 0.951 1.00 0.00 O ATOM 215 CB VAL A 14 -12.112 -7.657 0.293 1.00 0.00 C ATOM 216 CG1 VAL A 14 -13.405 -7.066 0.857 1.00 0.00 C ATOM 217 CG2 VAL A 14 -11.144 -6.524 -0.055 1.00 0.00 C ATOM 0 H VAL A 14 -9.756 -7.491 2.011 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.248 -9.118 1.872 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.336 -8.233 -0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.863 -6.415 0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.095 -7.872 1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.180 -6.489 1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.600 -5.872 -0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.921 -5.948 0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.221 -6.944 -0.455 1.00 0.00 H new ATOM 227 N GLU A 15 -11.048 -10.314 -0.294 1.00 0.00 N ATOM 228 CA GLU A 15 -10.192 -11.303 -1.011 1.00 0.00 C ATOM 229 C GLU A 15 -9.295 -10.573 -2.014 1.00 0.00 C ATOM 230 O GLU A 15 -8.370 -11.139 -2.561 1.00 0.00 O ATOM 231 CB GLU A 15 -11.082 -12.300 -1.756 1.00 0.00 C ATOM 232 CG GLU A 15 -10.349 -13.636 -1.897 1.00 0.00 C ATOM 233 CD GLU A 15 -10.456 -14.418 -0.587 1.00 0.00 C ATOM 234 OE1 GLU A 15 -11.500 -14.346 0.040 1.00 0.00 O ATOM 235 OE2 GLU A 15 -9.492 -15.077 -0.233 1.00 0.00 O ATOM 0 H GLU A 15 -12.023 -10.286 -0.594 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.571 -11.835 -0.290 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.018 -12.442 -1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.339 -11.909 -2.740 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.780 -14.215 -2.714 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.302 -13.464 -2.145 1.00 0.00 H new ATOM 242 N ASP A 16 -9.564 -9.320 -2.260 1.00 0.00 N ATOM 243 CA ASP A 16 -8.728 -8.555 -3.229 1.00 0.00 C ATOM 244 C ASP A 16 -7.402 -8.170 -2.571 1.00 0.00 C ATOM 245 O ASP A 16 -6.338 -8.467 -3.077 1.00 0.00 O ATOM 246 CB ASP A 16 -9.473 -7.288 -3.653 1.00 0.00 C ATOM 247 CG ASP A 16 -9.636 -7.273 -5.175 1.00 0.00 C ATOM 248 OD1 ASP A 16 -8.716 -7.702 -5.852 1.00 0.00 O ATOM 249 OD2 ASP A 16 -10.677 -6.834 -5.635 1.00 0.00 O ATOM 0 H ASP A 16 -10.326 -8.793 -1.833 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.531 -9.173 -4.105 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.450 -7.251 -3.172 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.924 -6.405 -3.327 1.00 0.00 H new ATOM 254 N TYR A 17 -7.457 -7.507 -1.450 1.00 0.00 N ATOM 255 CA TYR A 17 -6.199 -7.100 -0.763 1.00 0.00 C ATOM 256 C TYR A 17 -5.474 -8.345 -0.246 1.00 0.00 C ATOM 257 O TYR A 17 -4.280 -8.332 -0.024 1.00 0.00 O ATOM 258 CB TYR A 17 -6.536 -6.179 0.413 1.00 0.00 C ATOM 259 CG TYR A 17 -5.266 -5.734 1.102 1.00 0.00 C ATOM 260 CD1 TYR A 17 -4.051 -5.712 0.402 1.00 0.00 C ATOM 261 CD2 TYR A 17 -5.307 -5.338 2.446 1.00 0.00 C ATOM 262 CE1 TYR A 17 -2.879 -5.295 1.046 1.00 0.00 C ATOM 263 CE2 TYR A 17 -4.133 -4.922 3.090 1.00 0.00 C ATOM 264 CZ TYR A 17 -2.920 -4.900 2.390 1.00 0.00 C ATOM 265 OH TYR A 17 -1.765 -4.489 3.025 1.00 0.00 O ATOM 0 H TYR A 17 -8.318 -7.229 -0.980 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.555 -6.571 -1.466 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.090 -5.310 0.058 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.180 -6.701 1.121 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -4.019 -6.017 -0.634 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.243 -5.353 2.985 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.943 -5.278 0.507 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.164 -4.618 4.126 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.970 -4.249 3.953 1.00 0.00 H new ATOM 275 N ARG A 18 -6.187 -9.421 -0.057 1.00 0.00 N ATOM 276 CA ARG A 18 -5.539 -10.665 0.444 1.00 0.00 C ATOM 277 C ARG A 18 -4.712 -11.296 -0.680 1.00 0.00 C ATOM 278 O ARG A 18 -3.531 -11.537 -0.532 1.00 0.00 O ATOM 279 CB ARG A 18 -6.615 -11.652 0.902 1.00 0.00 C ATOM 280 CG ARG A 18 -6.555 -11.804 2.423 1.00 0.00 C ATOM 281 CD ARG A 18 -7.511 -10.804 3.076 1.00 0.00 C ATOM 282 NE ARG A 18 -7.848 -11.264 4.453 1.00 0.00 N ATOM 283 CZ ARG A 18 -9.096 -11.439 4.795 1.00 0.00 C ATOM 284 NH1 ARG A 18 -9.922 -12.026 3.974 1.00 0.00 N ATOM 285 NH2 ARG A 18 -9.517 -11.027 5.959 1.00 0.00 N ATOM 0 H ARG A 18 -7.190 -9.492 -0.228 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.887 -10.423 1.284 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.601 -11.298 0.600 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.464 -12.619 0.423 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.826 -12.821 2.708 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.538 -11.634 2.776 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.051 -9.816 3.113 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.419 -10.710 2.480 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.104 -11.442 5.128 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.593 -12.349 3.064 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.897 -12.162 4.242 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.871 -10.568 6.602 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.492 -11.164 6.226 1.00 0.00 H new ATOM 299 N VAL A 19 -5.323 -11.564 -1.801 1.00 0.00 N ATOM 300 CA VAL A 19 -4.571 -12.179 -2.931 1.00 0.00 C ATOM 301 C VAL A 19 -3.432 -11.248 -3.353 1.00 0.00 C ATOM 302 O VAL A 19 -2.361 -11.691 -3.719 1.00 0.00 O ATOM 303 CB VAL A 19 -5.516 -12.402 -4.112 1.00 0.00 C ATOM 304 CG1 VAL A 19 -4.727 -12.958 -5.299 1.00 0.00 C ATOM 305 CG2 VAL A 19 -6.603 -13.403 -3.711 1.00 0.00 C ATOM 0 H VAL A 19 -6.310 -11.384 -1.983 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.157 -13.136 -2.614 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.977 -11.455 -4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.401 -13.117 -6.141 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.951 -12.248 -5.584 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.267 -13.905 -5.018 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.278 -13.563 -4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.141 -14.350 -3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.165 -13.010 -2.864 1.00 0.00 H new ATOM 315 N PHE A 20 -3.652 -9.963 -3.306 1.00 0.00 N ATOM 316 CA PHE A 20 -2.577 -9.011 -3.704 1.00 0.00 C ATOM 317 C PHE A 20 -1.401 -9.143 -2.736 1.00 0.00 C ATOM 318 O PHE A 20 -0.270 -9.335 -3.138 1.00 0.00 O ATOM 319 CB PHE A 20 -3.118 -7.580 -3.657 1.00 0.00 C ATOM 320 CG PHE A 20 -2.146 -6.651 -4.345 1.00 0.00 C ATOM 321 CD1 PHE A 20 -1.904 -6.782 -5.719 1.00 0.00 C ATOM 322 CD2 PHE A 20 -1.485 -5.657 -3.609 1.00 0.00 C ATOM 323 CE1 PHE A 20 -1.002 -5.920 -6.357 1.00 0.00 C ATOM 324 CE2 PHE A 20 -0.582 -4.796 -4.248 1.00 0.00 C ATOM 325 CZ PHE A 20 -0.341 -4.927 -5.621 1.00 0.00 C ATOM 0 H PHE A 20 -4.528 -9.532 -3.010 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.244 -9.239 -4.717 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.091 -7.532 -4.145 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.265 -7.269 -2.623 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.413 -7.547 -6.286 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.672 -5.555 -2.550 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.816 -6.021 -7.416 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.072 -4.031 -3.681 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.354 -4.263 -6.113 1.00 0.00 H new ATOM 335 N LEU A 21 -1.659 -9.043 -1.461 1.00 0.00 N ATOM 336 CA LEU A 21 -0.560 -9.165 -0.464 1.00 0.00 C ATOM 337 C LEU A 21 0.088 -10.546 -0.587 1.00 0.00 C ATOM 338 O LEU A 21 1.221 -10.750 -0.196 1.00 0.00 O ATOM 339 CB LEU A 21 -1.130 -8.992 0.946 1.00 0.00 C ATOM 340 CG LEU A 21 0.016 -8.907 1.955 1.00 0.00 C ATOM 341 CD1 LEU A 21 -0.302 -7.836 3.001 1.00 0.00 C ATOM 342 CD2 LEU A 21 0.187 -10.260 2.647 1.00 0.00 C ATOM 0 H LEU A 21 -2.586 -8.882 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 21 0.188 -8.395 -0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.739 -8.089 0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.782 -9.830 1.191 1.00 0.00 H new ATOM 0 HG LEU A 21 0.938 -8.645 1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.515 -7.776 3.720 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.424 -6.871 2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.224 -8.097 3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.004 -10.200 3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.735 -10.522 3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.414 -11.023 1.903 1.00 0.00 H new ATOM 354 N GLU A 22 -0.623 -11.499 -1.127 1.00 0.00 N ATOM 355 CA GLU A 22 -0.050 -12.865 -1.276 1.00 0.00 C ATOM 356 C GLU A 22 0.930 -12.883 -2.452 1.00 0.00 C ATOM 357 O GLU A 22 1.970 -13.509 -2.397 1.00 0.00 O ATOM 358 CB GLU A 22 -1.179 -13.864 -1.537 1.00 0.00 C ATOM 359 CG GLU A 22 -0.676 -15.286 -1.281 1.00 0.00 C ATOM 360 CD GLU A 22 -1.855 -16.185 -0.903 1.00 0.00 C ATOM 361 OE1 GLU A 22 -2.739 -15.709 -0.212 1.00 0.00 O ATOM 362 OE2 GLU A 22 -1.851 -17.334 -1.311 1.00 0.00 O ATOM 0 H GLU A 22 -1.577 -11.389 -1.471 1.00 0.00 H new ATOM 0 HA GLU A 22 0.476 -13.141 -0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.028 -13.646 -0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.530 -13.771 -2.565 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.180 -15.673 -2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.064 -15.283 -0.480 1.00 0.00 H new ATOM 369 N ARG A 23 0.607 -12.199 -3.515 1.00 0.00 N ATOM 370 CA ARG A 23 1.519 -12.174 -4.694 1.00 0.00 C ATOM 371 C ARG A 23 2.815 -11.450 -4.324 1.00 0.00 C ATOM 372 O ARG A 23 3.901 -11.940 -4.562 1.00 0.00 O ATOM 373 CB ARG A 23 0.837 -11.436 -5.849 1.00 0.00 C ATOM 374 CG ARG A 23 0.279 -12.452 -6.847 1.00 0.00 C ATOM 375 CD ARG A 23 -1.233 -12.582 -6.655 1.00 0.00 C ATOM 376 NE ARG A 23 -1.756 -13.655 -7.546 1.00 0.00 N ATOM 377 CZ ARG A 23 -1.567 -13.582 -8.834 1.00 0.00 C ATOM 378 NH1 ARG A 23 -1.667 -12.433 -9.445 1.00 0.00 N ATOM 379 NH2 ARG A 23 -1.278 -14.660 -9.513 1.00 0.00 N ATOM 0 H ARG A 23 -0.250 -11.656 -3.618 1.00 0.00 H new ATOM 0 HA ARG A 23 1.748 -13.196 -4.997 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.033 -10.806 -5.468 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.550 -10.777 -6.345 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.501 -12.135 -7.866 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.759 -13.420 -6.703 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.460 -12.816 -5.615 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.722 -11.635 -6.883 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.262 -14.447 -7.149 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.893 -11.591 -8.915 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.519 -12.377 -10.453 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.200 -15.558 -9.036 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.130 -14.604 -10.521 1.00 0.00 H new ATOM 393 N LEU A 24 2.710 -10.284 -3.747 1.00 0.00 N ATOM 394 CA LEU A 24 3.935 -9.525 -3.366 1.00 0.00 C ATOM 395 C LEU A 24 4.857 -10.411 -2.521 1.00 0.00 C ATOM 396 O LEU A 24 6.041 -10.508 -2.777 1.00 0.00 O ATOM 397 CB LEU A 24 3.534 -8.291 -2.555 1.00 0.00 C ATOM 398 CG LEU A 24 3.449 -7.077 -3.481 1.00 0.00 C ATOM 399 CD1 LEU A 24 2.022 -6.526 -3.468 1.00 0.00 C ATOM 400 CD2 LEU A 24 4.419 -5.998 -2.995 1.00 0.00 C ATOM 0 H LEU A 24 1.828 -9.824 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 24 4.462 -9.218 -4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.573 -8.459 -2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.263 -8.109 -1.765 1.00 0.00 H new ATOM 0 HG LEU A 24 3.714 -7.373 -4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.960 -5.661 -4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.332 -7.296 -3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.756 -6.229 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.360 -5.132 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.154 -5.701 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.435 -6.392 -3.004 1.00 0.00 H new ATOM 412 N GLU A 25 4.328 -11.048 -1.513 1.00 0.00 N ATOM 413 CA GLU A 25 5.180 -11.917 -0.650 1.00 0.00 C ATOM 414 C GLU A 25 5.549 -13.199 -1.401 1.00 0.00 C ATOM 415 O GLU A 25 6.504 -13.871 -1.066 1.00 0.00 O ATOM 416 CB GLU A 25 4.414 -12.278 0.624 1.00 0.00 C ATOM 417 CG GLU A 25 5.288 -11.988 1.846 1.00 0.00 C ATOM 418 CD GLU A 25 4.454 -11.280 2.915 1.00 0.00 C ATOM 419 OE1 GLU A 25 3.551 -11.907 3.444 1.00 0.00 O ATOM 420 OE2 GLU A 25 4.733 -10.124 3.187 1.00 0.00 O ATOM 0 H GLU A 25 3.344 -11.005 -1.249 1.00 0.00 H new ATOM 0 HA GLU A 25 6.091 -11.378 -0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.490 -11.703 0.680 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.134 -13.331 0.606 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.695 -12.918 2.244 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.136 -11.366 1.560 1.00 0.00 H new ATOM 427 N GLN A 26 4.799 -13.549 -2.410 1.00 0.00 N ATOM 428 CA GLN A 26 5.112 -14.792 -3.172 1.00 0.00 C ATOM 429 C GLN A 26 6.474 -14.648 -3.855 1.00 0.00 C ATOM 430 O GLN A 26 7.253 -15.578 -3.908 1.00 0.00 O ATOM 431 CB GLN A 26 4.033 -15.029 -4.230 1.00 0.00 C ATOM 432 CG GLN A 26 3.623 -16.503 -4.218 1.00 0.00 C ATOM 433 CD GLN A 26 2.219 -16.647 -4.807 1.00 0.00 C ATOM 434 OE1 GLN A 26 1.483 -17.543 -4.443 1.00 0.00 O ATOM 435 NE2 GLN A 26 1.811 -15.794 -5.707 1.00 0.00 N ATOM 0 H GLN A 26 3.985 -13.030 -2.739 1.00 0.00 H new ATOM 0 HA GLN A 26 5.140 -15.638 -2.485 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.167 -14.398 -4.030 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.408 -14.753 -5.216 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.334 -17.094 -4.796 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.643 -16.889 -3.199 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.428 -15.042 -6.013 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.875 -15.880 -6.104 1.00 0.00 H new ATOM 444 N SER A 27 6.765 -13.491 -4.383 1.00 0.00 N ATOM 445 CA SER A 27 8.076 -13.292 -5.063 1.00 0.00 C ATOM 446 C SER A 27 9.204 -13.779 -4.151 1.00 0.00 C ATOM 447 O SER A 27 10.068 -14.529 -4.562 1.00 0.00 O ATOM 448 CB SER A 27 8.272 -11.807 -5.370 1.00 0.00 C ATOM 449 OG SER A 27 8.680 -11.132 -4.187 1.00 0.00 O ATOM 0 H SER A 27 6.152 -12.676 -4.373 1.00 0.00 H new ATOM 0 HA SER A 27 8.092 -13.860 -5.993 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.022 -11.681 -6.151 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.344 -11.376 -5.747 1.00 0.00 H new ATOM 0 HG SER A 27 7.890 -10.887 -3.661 1.00 0.00 H new ATOM 455 N GLY A 28 9.206 -13.359 -2.916 1.00 0.00 N ATOM 456 CA GLY A 28 10.278 -13.798 -1.979 1.00 0.00 C ATOM 457 C GLY A 28 11.157 -12.602 -1.611 1.00 0.00 C ATOM 458 O GLY A 28 12.347 -12.594 -1.858 1.00 0.00 O ATOM 0 H GLY A 28 8.511 -12.730 -2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.836 -14.228 -1.080 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.883 -14.578 -2.441 1.00 0.00 H new ATOM 462 N LEU A 29 10.582 -11.591 -1.020 1.00 0.00 N ATOM 463 CA LEU A 29 11.385 -10.397 -0.636 1.00 0.00 C ATOM 464 C LEU A 29 10.964 -9.928 0.759 1.00 0.00 C ATOM 465 O LEU A 29 9.858 -10.172 1.199 1.00 0.00 O ATOM 466 CB LEU A 29 11.148 -9.274 -1.646 1.00 0.00 C ATOM 467 CG LEU A 29 12.401 -9.084 -2.502 1.00 0.00 C ATOM 468 CD1 LEU A 29 12.038 -8.331 -3.782 1.00 0.00 C ATOM 469 CD2 LEU A 29 13.437 -8.279 -1.715 1.00 0.00 C ATOM 0 H LEU A 29 9.590 -11.541 -0.787 1.00 0.00 H new ATOM 0 HA LEU A 29 12.443 -10.658 -0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.295 -9.515 -2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.907 -8.347 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 29 12.815 -10.059 -2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 29 12.932 -8.196 -4.391 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.299 -8.903 -4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 29 11.624 -7.356 -3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.331 -8.143 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.022 -7.305 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 29 13.698 -8.815 -0.803 1.00 0.00 H new ATOM 481 N GLU A 30 11.838 -9.258 1.459 1.00 0.00 N ATOM 482 CA GLU A 30 11.488 -8.777 2.825 1.00 0.00 C ATOM 483 C GLU A 30 10.912 -7.363 2.740 1.00 0.00 C ATOM 484 O GLU A 30 11.438 -6.433 3.318 1.00 0.00 O ATOM 485 CB GLU A 30 12.744 -8.765 3.698 1.00 0.00 C ATOM 486 CG GLU A 30 12.346 -8.591 5.165 1.00 0.00 C ATOM 487 CD GLU A 30 12.191 -9.965 5.818 1.00 0.00 C ATOM 488 OE1 GLU A 30 12.551 -10.944 5.184 1.00 0.00 O ATOM 489 OE2 GLU A 30 11.714 -10.016 6.940 1.00 0.00 O ATOM 0 H GLU A 30 12.779 -9.023 1.144 1.00 0.00 H new ATOM 0 HA GLU A 30 10.745 -9.443 3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.298 -9.695 3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.405 -7.954 3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.103 -8.010 5.692 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.411 -8.035 5.236 1.00 0.00 H new ATOM 496 N TRP A 31 9.834 -7.192 2.023 1.00 0.00 N ATOM 497 CA TRP A 31 9.227 -5.837 1.903 1.00 0.00 C ATOM 498 C TRP A 31 8.272 -5.605 3.077 1.00 0.00 C ATOM 499 O TRP A 31 7.833 -6.534 3.725 1.00 0.00 O ATOM 500 CB TRP A 31 8.451 -5.740 0.588 1.00 0.00 C ATOM 501 CG TRP A 31 7.310 -6.706 0.612 1.00 0.00 C ATOM 502 CD1 TRP A 31 7.322 -7.937 0.052 1.00 0.00 C ATOM 503 CD2 TRP A 31 5.995 -6.543 1.217 1.00 0.00 C ATOM 504 NE1 TRP A 31 6.098 -8.542 0.275 1.00 0.00 N ATOM 505 CE2 TRP A 31 5.245 -7.723 0.989 1.00 0.00 C ATOM 506 CE3 TRP A 31 5.385 -5.497 1.936 1.00 0.00 C ATOM 507 CZ2 TRP A 31 3.937 -7.859 1.456 1.00 0.00 C ATOM 508 CZ3 TRP A 31 4.068 -5.630 2.408 1.00 0.00 C ATOM 509 CH2 TRP A 31 3.347 -6.809 2.168 1.00 0.00 C ATOM 0 H TRP A 31 9.348 -7.932 1.516 1.00 0.00 H new ATOM 0 HA TRP A 31 10.013 -5.082 1.916 1.00 0.00 H new ATOM 0 HB2 TRP A 31 8.080 -4.725 0.446 1.00 0.00 H new ATOM 0 HB3 TRP A 31 9.109 -5.959 -0.253 1.00 0.00 H new ATOM 0 HD1 TRP A 31 8.152 -8.376 -0.482 1.00 0.00 H new ATOM 0 HE1 TRP A 31 5.855 -9.478 -0.048 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.933 -4.586 2.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 3.384 -8.768 1.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.609 -4.821 2.958 1.00 0.00 H new ATOM 0 HH2 TRP A 31 2.335 -6.906 2.533 1.00 0.00 H new ATOM 520 N ARG A 32 7.948 -4.373 3.358 1.00 0.00 N ATOM 521 CA ARG A 32 7.023 -4.089 4.492 1.00 0.00 C ATOM 522 C ARG A 32 6.263 -2.787 4.223 1.00 0.00 C ATOM 523 O ARG A 32 6.734 -1.932 3.499 1.00 0.00 O ATOM 524 CB ARG A 32 7.830 -3.951 5.785 1.00 0.00 C ATOM 525 CG ARG A 32 8.374 -5.320 6.197 1.00 0.00 C ATOM 526 CD ARG A 32 9.149 -5.189 7.509 1.00 0.00 C ATOM 527 NE ARG A 32 8.430 -5.927 8.586 1.00 0.00 N ATOM 528 CZ ARG A 32 9.066 -6.289 9.665 1.00 0.00 C ATOM 529 NH1 ARG A 32 10.284 -6.752 9.582 1.00 0.00 N ATOM 530 NH2 ARG A 32 8.485 -6.190 10.830 1.00 0.00 N ATOM 0 H ARG A 32 8.283 -3.552 2.853 1.00 0.00 H new ATOM 0 HA ARG A 32 6.311 -4.908 4.592 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.652 -3.250 5.640 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.201 -3.545 6.577 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.554 -6.028 6.316 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.024 -5.714 5.416 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.156 -5.588 7.390 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.252 -4.138 7.780 1.00 0.00 H new ATOM 0 HE ARG A 32 7.440 -6.149 8.479 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.739 -6.831 8.672 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.781 -7.035 10.427 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.533 -5.829 10.896 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.983 -6.473 11.674 1.00 0.00 H new ATOM 544 N PRO A 33 5.101 -2.679 4.819 1.00 0.00 N ATOM 545 CA PRO A 33 4.238 -1.494 4.671 1.00 0.00 C ATOM 546 C PRO A 33 4.743 -0.352 5.559 1.00 0.00 C ATOM 547 O PRO A 33 5.385 -0.573 6.566 1.00 0.00 O ATOM 548 CB PRO A 33 2.868 -1.988 5.142 1.00 0.00 C ATOM 549 CG PRO A 33 3.134 -3.213 6.050 1.00 0.00 C ATOM 550 CD PRO A 33 4.541 -3.730 5.693 1.00 0.00 C ATOM 0 HA PRO A 33 4.217 -1.101 3.654 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.340 -1.207 5.689 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.241 -2.262 4.293 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.079 -2.934 7.102 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.384 -3.987 5.886 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.151 -3.873 6.585 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.494 -4.691 5.181 1.00 0.00 H new ATOM 558 N ALA A 34 4.457 0.867 5.191 1.00 0.00 N ATOM 559 CA ALA A 34 4.919 2.021 6.011 1.00 0.00 C ATOM 560 C ALA A 34 3.929 3.178 5.865 1.00 0.00 C ATOM 561 O ALA A 34 3.032 3.140 5.047 1.00 0.00 O ATOM 562 CB ALA A 34 6.302 2.466 5.531 1.00 0.00 C ATOM 0 H ALA A 34 3.923 1.113 4.357 1.00 0.00 H new ATOM 0 HA ALA A 34 4.977 1.724 7.058 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.641 3.311 6.131 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.006 1.641 5.636 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.245 2.764 4.484 1.00 0.00 H new ATOM 568 N THR A 35 4.084 4.208 6.651 1.00 0.00 N ATOM 569 CA THR A 35 3.149 5.364 6.555 1.00 0.00 C ATOM 570 C THR A 35 3.270 6.004 5.168 1.00 0.00 C ATOM 571 O THR A 35 4.179 5.699 4.423 1.00 0.00 O ATOM 572 CB THR A 35 3.503 6.397 7.627 1.00 0.00 C ATOM 573 OG1 THR A 35 4.838 6.184 8.064 1.00 0.00 O ATOM 574 CG2 THR A 35 2.547 6.252 8.812 1.00 0.00 C ATOM 0 H THR A 35 4.817 4.299 7.355 1.00 0.00 H new ATOM 0 HA THR A 35 2.127 5.019 6.708 1.00 0.00 H new ATOM 0 HB THR A 35 3.412 7.400 7.211 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.067 6.846 8.749 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.800 6.988 9.575 1.00 0.00 H new ATOM 0 HG22 THR A 35 1.523 6.415 8.476 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.636 5.250 9.231 1.00 0.00 H new ATOM 582 N PRO A 36 2.342 6.876 4.865 1.00 0.00 N ATOM 583 CA PRO A 36 2.307 7.582 3.573 1.00 0.00 C ATOM 584 C PRO A 36 3.332 8.719 3.554 1.00 0.00 C ATOM 585 O PRO A 36 3.585 9.321 2.530 1.00 0.00 O ATOM 586 CB PRO A 36 0.880 8.134 3.504 1.00 0.00 C ATOM 587 CG PRO A 36 0.371 8.208 4.964 1.00 0.00 C ATOM 588 CD PRO A 36 1.242 7.238 5.784 1.00 0.00 C ATOM 0 HA PRO A 36 2.553 6.939 2.728 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.866 9.119 3.037 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.242 7.487 2.902 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.452 9.224 5.352 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.681 7.928 5.022 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.619 7.711 6.691 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.676 6.359 6.094 1.00 0.00 H new ATOM 596 N GLU A 37 3.923 9.017 4.678 1.00 0.00 N ATOM 597 CA GLU A 37 4.929 10.115 4.720 1.00 0.00 C ATOM 598 C GLU A 37 6.311 9.555 4.375 1.00 0.00 C ATOM 599 O GLU A 37 7.198 10.275 3.959 1.00 0.00 O ATOM 600 CB GLU A 37 4.958 10.726 6.123 1.00 0.00 C ATOM 601 CG GLU A 37 4.049 11.956 6.162 1.00 0.00 C ATOM 602 CD GLU A 37 4.772 13.106 6.865 1.00 0.00 C ATOM 603 OE1 GLU A 37 5.973 13.221 6.686 1.00 0.00 O ATOM 604 OE2 GLU A 37 4.112 13.851 7.570 1.00 0.00 O ATOM 0 H GLU A 37 3.753 8.548 5.568 1.00 0.00 H new ATOM 0 HA GLU A 37 4.660 10.884 3.996 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.627 9.992 6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.978 11.005 6.389 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.775 12.250 5.149 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.123 11.720 6.687 1.00 0.00 H new ATOM 611 N ASP A 38 6.500 8.274 4.540 1.00 0.00 N ATOM 612 CA ASP A 38 7.823 7.666 4.220 1.00 0.00 C ATOM 613 C ASP A 38 7.610 6.386 3.411 1.00 0.00 C ATOM 614 O ASP A 38 8.138 5.340 3.734 1.00 0.00 O ATOM 615 CB ASP A 38 8.561 7.331 5.518 1.00 0.00 C ATOM 616 CG ASP A 38 9.557 8.447 5.842 1.00 0.00 C ATOM 617 OD1 ASP A 38 9.162 9.395 6.499 1.00 0.00 O ATOM 618 OD2 ASP A 38 10.699 8.332 5.427 1.00 0.00 O ATOM 0 H ASP A 38 5.795 7.622 4.883 1.00 0.00 H new ATOM 0 HA ASP A 38 8.416 8.372 3.639 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.848 7.217 6.335 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.084 6.380 5.416 1.00 0.00 H new ATOM 623 N ALA A 39 6.837 6.458 2.361 1.00 0.00 N ATOM 624 CA ALA A 39 6.588 5.244 1.534 1.00 0.00 C ATOM 625 C ALA A 39 7.365 5.353 0.220 1.00 0.00 C ATOM 626 O ALA A 39 6.981 6.072 -0.681 1.00 0.00 O ATOM 627 CB ALA A 39 5.092 5.131 1.234 1.00 0.00 C ATOM 0 H ALA A 39 6.368 7.305 2.041 1.00 0.00 H new ATOM 0 HA ALA A 39 6.918 4.359 2.078 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.908 4.243 0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.538 5.053 2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.762 6.016 0.689 1.00 0.00 H new ATOM 633 N ASP A 40 8.453 4.641 0.101 1.00 0.00 N ATOM 634 CA ASP A 40 9.249 4.703 -1.156 1.00 0.00 C ATOM 635 C ASP A 40 8.323 4.478 -2.353 1.00 0.00 C ATOM 636 O ASP A 40 8.367 5.199 -3.329 1.00 0.00 O ATOM 637 CB ASP A 40 10.327 3.617 -1.130 1.00 0.00 C ATOM 638 CG ASP A 40 11.245 3.778 -2.343 1.00 0.00 C ATOM 639 OD1 ASP A 40 10.978 4.652 -3.151 1.00 0.00 O ATOM 640 OD2 ASP A 40 12.199 3.024 -2.444 1.00 0.00 O ATOM 0 H ASP A 40 8.824 4.020 0.820 1.00 0.00 H new ATOM 0 HA ASP A 40 9.723 5.681 -1.242 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.907 3.688 -0.210 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.864 2.630 -1.140 1.00 0.00 H new ATOM 645 N ALA A 41 7.481 3.483 -2.283 1.00 0.00 N ATOM 646 CA ALA A 41 6.550 3.214 -3.414 1.00 0.00 C ATOM 647 C ALA A 41 5.108 3.263 -2.904 1.00 0.00 C ATOM 648 O ALA A 41 4.797 2.756 -1.845 1.00 0.00 O ATOM 649 CB ALA A 41 6.839 1.829 -3.997 1.00 0.00 C ATOM 0 H ALA A 41 7.398 2.845 -1.491 1.00 0.00 H new ATOM 0 HA ALA A 41 6.690 3.968 -4.189 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.157 1.633 -4.825 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.867 1.793 -4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.699 1.073 -3.225 1.00 0.00 H new ATOM 655 N VAL A 42 4.224 3.871 -3.648 1.00 0.00 N ATOM 656 CA VAL A 42 2.806 3.952 -3.202 1.00 0.00 C ATOM 657 C VAL A 42 1.961 2.964 -4.009 1.00 0.00 C ATOM 658 O VAL A 42 2.148 2.800 -5.198 1.00 0.00 O ATOM 659 CB VAL A 42 2.281 5.371 -3.422 1.00 0.00 C ATOM 660 CG1 VAL A 42 0.914 5.520 -2.754 1.00 0.00 C ATOM 661 CG2 VAL A 42 3.259 6.377 -2.810 1.00 0.00 C ATOM 0 H VAL A 42 4.423 4.314 -4.545 1.00 0.00 H new ATOM 0 HA VAL A 42 2.744 3.703 -2.143 1.00 0.00 H new ATOM 0 HB VAL A 42 2.185 5.560 -4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.541 6.532 -2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.217 4.804 -3.189 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.009 5.330 -1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.885 7.389 -2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.355 6.187 -1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.234 6.273 -3.286 1.00 0.00 H new ATOM 671 N ILE A 43 1.034 2.302 -3.372 1.00 0.00 N ATOM 672 CA ILE A 43 0.181 1.326 -4.105 1.00 0.00 C ATOM 673 C ILE A 43 -1.273 1.476 -3.651 1.00 0.00 C ATOM 674 O ILE A 43 -1.588 1.329 -2.487 1.00 0.00 O ATOM 675 CB ILE A 43 0.665 -0.094 -3.810 1.00 0.00 C ATOM 676 CG1 ILE A 43 2.194 -0.106 -3.756 1.00 0.00 C ATOM 677 CG2 ILE A 43 0.187 -1.037 -4.916 1.00 0.00 C ATOM 678 CD1 ILE A 43 2.692 -1.544 -3.603 1.00 0.00 C ATOM 0 H ILE A 43 0.831 2.395 -2.377 1.00 0.00 H new ATOM 0 HA ILE A 43 0.247 1.517 -5.176 1.00 0.00 H new ATOM 0 HB ILE A 43 0.262 -0.425 -2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.603 0.336 -4.664 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.543 0.501 -2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.532 -2.049 -4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.902 -1.026 -4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.590 -0.708 -5.874 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.781 -1.550 -3.565 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.294 -1.971 -2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.356 -2.138 -4.453 1.00 0.00 H new ATOM 690 N VAL A 44 -2.161 1.768 -4.561 1.00 0.00 N ATOM 691 CA VAL A 44 -3.591 1.928 -4.182 1.00 0.00 C ATOM 692 C VAL A 44 -4.425 0.841 -4.862 1.00 0.00 C ATOM 693 O VAL A 44 -4.474 0.748 -6.072 1.00 0.00 O ATOM 694 CB VAL A 44 -4.086 3.305 -4.630 1.00 0.00 C ATOM 695 CG1 VAL A 44 -5.291 3.716 -3.781 1.00 0.00 C ATOM 696 CG2 VAL A 44 -2.963 4.330 -4.450 1.00 0.00 C ATOM 0 H VAL A 44 -1.957 1.903 -5.551 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.692 1.839 -3.100 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.379 3.263 -5.679 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.643 4.697 -4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.090 2.985 -3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.999 3.759 -2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.312 5.312 -4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.672 4.371 -3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.103 4.038 -5.053 1.00 0.00 H new ATOM 706 N LEU A 45 -5.080 0.015 -4.092 1.00 0.00 N ATOM 707 CA LEU A 45 -5.909 -1.067 -4.695 1.00 0.00 C ATOM 708 C LEU A 45 -7.297 -0.519 -5.034 1.00 0.00 C ATOM 709 O LEU A 45 -7.983 0.024 -4.192 1.00 0.00 O ATOM 710 CB LEU A 45 -6.042 -2.221 -3.696 1.00 0.00 C ATOM 711 CG LEU A 45 -4.703 -2.448 -2.992 1.00 0.00 C ATOM 712 CD1 LEU A 45 -4.728 -3.796 -2.271 1.00 0.00 C ATOM 713 CD2 LEU A 45 -3.572 -2.447 -4.024 1.00 0.00 C ATOM 0 H LEU A 45 -5.077 0.043 -3.072 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.432 -1.428 -5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.816 -1.993 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.351 -3.129 -4.213 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.536 -1.649 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.774 -3.958 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.531 -3.799 -1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.897 -4.593 -2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.619 -2.609 -3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.739 -3.244 -4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.551 -1.487 -4.540 1.00 0.00 H new ATOM 725 N ALA A 46 -7.714 -0.657 -6.264 1.00 0.00 N ATOM 726 CA ALA A 46 -9.055 -0.142 -6.658 1.00 0.00 C ATOM 727 C ALA A 46 -10.136 -1.139 -6.233 1.00 0.00 C ATOM 728 O ALA A 46 -11.312 -0.925 -6.454 1.00 0.00 O ATOM 729 CB ALA A 46 -9.104 0.046 -8.175 1.00 0.00 C ATOM 0 H ALA A 46 -7.184 -1.104 -7.012 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.232 0.814 -6.166 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.085 0.423 -8.463 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.338 0.760 -8.478 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.924 -0.910 -8.666 1.00 0.00 H new ATOM 735 N GLY A 47 -9.751 -2.228 -5.624 1.00 0.00 N ATOM 736 CA GLY A 47 -10.760 -3.233 -5.188 1.00 0.00 C ATOM 737 C GLY A 47 -11.377 -2.798 -3.856 1.00 0.00 C ATOM 738 O GLY A 47 -12.262 -3.443 -3.332 1.00 0.00 O ATOM 0 H GLY A 47 -8.782 -2.464 -5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.538 -3.334 -5.945 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.291 -4.211 -5.081 1.00 0.00 H new ATOM 742 N LEU A 48 -10.918 -1.705 -3.306 1.00 0.00 N ATOM 743 CA LEU A 48 -11.482 -1.233 -2.011 1.00 0.00 C ATOM 744 C LEU A 48 -12.077 0.165 -2.194 1.00 0.00 C ATOM 745 O LEU A 48 -12.199 0.925 -1.253 1.00 0.00 O ATOM 746 CB LEU A 48 -10.371 -1.181 -0.958 1.00 0.00 C ATOM 747 CG LEU A 48 -9.584 -2.492 -0.986 1.00 0.00 C ATOM 748 CD1 LEU A 48 -8.113 -2.213 -0.671 1.00 0.00 C ATOM 749 CD2 LEU A 48 -10.155 -3.450 0.061 1.00 0.00 C ATOM 0 H LEU A 48 -10.179 -1.121 -3.697 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.262 -1.920 -1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.706 -0.340 -1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.800 -1.022 0.032 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.664 -2.942 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.553 -3.148 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.705 -1.529 -1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.032 -1.763 0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.595 -4.385 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.074 -2.998 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.203 -3.650 -0.162 1.00 0.00 H new ATOM 761 N TRP A 49 -12.448 0.511 -3.396 1.00 0.00 N ATOM 762 CA TRP A 49 -13.035 1.860 -3.634 1.00 0.00 C ATOM 763 C TRP A 49 -14.517 1.848 -3.249 1.00 0.00 C ATOM 764 O TRP A 49 -15.222 2.819 -3.438 1.00 0.00 O ATOM 765 CB TRP A 49 -12.892 2.228 -5.112 1.00 0.00 C ATOM 766 CG TRP A 49 -12.689 3.703 -5.240 1.00 0.00 C ATOM 767 CD1 TRP A 49 -13.151 4.629 -4.367 1.00 0.00 C ATOM 768 CD2 TRP A 49 -11.983 4.439 -6.280 1.00 0.00 C ATOM 769 NE1 TRP A 49 -12.773 5.885 -4.805 1.00 0.00 N ATOM 770 CE2 TRP A 49 -12.051 5.821 -5.980 1.00 0.00 C ATOM 771 CE3 TRP A 49 -11.295 4.046 -7.444 1.00 0.00 C ATOM 772 CZ2 TRP A 49 -11.459 6.778 -6.806 1.00 0.00 C ATOM 773 CZ3 TRP A 49 -10.698 5.007 -8.277 1.00 0.00 C ATOM 774 CH2 TRP A 49 -10.779 6.370 -7.959 1.00 0.00 C ATOM 0 H TRP A 49 -12.370 -0.081 -4.223 1.00 0.00 H new ATOM 0 HA TRP A 49 -12.509 2.596 -3.026 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -12.049 1.695 -5.551 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -13.783 1.924 -5.662 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -13.722 4.421 -3.474 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.000 6.753 -4.319 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -11.226 2.999 -7.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -11.525 7.827 -6.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -10.174 4.694 -9.168 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.317 7.104 -8.603 1.00 0.00 H new ATOM 785 N GLY A 50 -14.994 0.759 -2.710 1.00 0.00 N ATOM 786 CA GLY A 50 -16.430 0.693 -2.314 1.00 0.00 C ATOM 787 C GLY A 50 -16.540 0.679 -0.789 1.00 0.00 C ATOM 788 O GLY A 50 -17.621 0.701 -0.235 1.00 0.00 O ATOM 0 H GLY A 50 -14.453 -0.086 -2.527 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -16.970 1.549 -2.720 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -16.892 -0.202 -2.731 1.00 0.00 H new ATOM 792 N THR A 51 -15.430 0.641 -0.102 1.00 0.00 N ATOM 793 CA THR A 51 -15.473 0.626 1.387 1.00 0.00 C ATOM 794 C THR A 51 -14.631 1.780 1.932 1.00 0.00 C ATOM 795 O THR A 51 -14.987 2.419 2.901 1.00 0.00 O ATOM 796 CB THR A 51 -14.913 -0.703 1.898 1.00 0.00 C ATOM 797 OG1 THR A 51 -13.691 -0.986 1.231 1.00 0.00 O ATOM 798 CG2 THR A 51 -15.918 -1.822 1.623 1.00 0.00 C ATOM 0 H THR A 51 -14.495 0.620 -0.509 1.00 0.00 H new ATOM 0 HA THR A 51 -16.503 0.739 1.724 1.00 0.00 H new ATOM 0 HB THR A 51 -14.735 -0.635 2.971 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.329 -1.836 1.558 1.00 0.00 H new ATOM 0 HG21 THR A 51 -15.518 -2.768 1.987 1.00 0.00 H new ATOM 0 HG22 THR A 51 -16.855 -1.603 2.135 1.00 0.00 H new ATOM 0 HG23 THR A 51 -16.098 -1.894 0.550 1.00 0.00 H new ATOM 806 N ARG A 52 -13.513 2.052 1.315 1.00 0.00 N ATOM 807 CA ARG A 52 -12.647 3.164 1.797 1.00 0.00 C ATOM 808 C ARG A 52 -12.605 4.271 0.742 1.00 0.00 C ATOM 809 O ARG A 52 -11.611 4.463 0.070 1.00 0.00 O ATOM 810 CB ARG A 52 -11.232 2.639 2.044 1.00 0.00 C ATOM 811 CG ARG A 52 -10.988 2.519 3.549 1.00 0.00 C ATOM 812 CD ARG A 52 -10.768 1.051 3.916 1.00 0.00 C ATOM 813 NE ARG A 52 -11.563 0.718 5.132 1.00 0.00 N ATOM 814 CZ ARG A 52 -11.942 -0.512 5.349 1.00 0.00 C ATOM 815 NH1 ARG A 52 -11.304 -1.500 4.782 1.00 0.00 N ATOM 816 NH2 ARG A 52 -12.957 -0.754 6.132 1.00 0.00 N ATOM 0 H ARG A 52 -13.163 1.552 0.498 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.052 3.564 2.727 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.104 1.668 1.566 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.500 3.313 1.599 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.118 3.110 3.835 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.840 2.918 4.099 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.066 0.409 3.087 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.710 0.865 4.098 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.811 1.452 5.795 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.510 -1.310 4.170 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.599 -2.462 4.951 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.455 0.018 6.575 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.253 -1.715 6.301 1.00 0.00 H new ATOM 830 N ARG A 53 -13.674 5.003 0.592 1.00 0.00 N ATOM 831 CA ARG A 53 -13.692 6.098 -0.418 1.00 0.00 C ATOM 832 C ARG A 53 -12.859 7.273 0.095 1.00 0.00 C ATOM 833 O ARG A 53 -11.838 7.613 -0.468 1.00 0.00 O ATOM 834 CB ARG A 53 -15.132 6.555 -0.650 1.00 0.00 C ATOM 835 CG ARG A 53 -15.335 6.868 -2.133 1.00 0.00 C ATOM 836 CD ARG A 53 -16.442 7.912 -2.287 1.00 0.00 C ATOM 837 NE ARG A 53 -16.257 8.645 -3.571 1.00 0.00 N ATOM 838 CZ ARG A 53 -16.855 8.227 -4.652 1.00 0.00 C ATOM 839 NH1 ARG A 53 -18.068 8.624 -4.923 1.00 0.00 N ATOM 840 NH2 ARG A 53 -16.238 7.411 -5.463 1.00 0.00 N ATOM 0 H ARG A 53 -14.536 4.890 1.125 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.272 5.736 -1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -15.827 5.778 -0.333 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -15.346 7.438 -0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -14.407 7.240 -2.568 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -15.599 5.960 -2.674 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -17.418 7.428 -2.270 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -16.417 8.610 -1.450 1.00 0.00 H new ATOM 0 HE ARG A 53 -15.663 9.473 -3.605 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -18.549 9.262 -4.289 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -18.535 8.297 -5.769 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -15.290 7.101 -5.251 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -16.704 7.083 -6.309 1.00 0.00 H new ATOM 854 N ASP A 54 -13.285 7.896 1.159 1.00 0.00 N ATOM 855 CA ASP A 54 -12.512 9.047 1.705 1.00 0.00 C ATOM 856 C ASP A 54 -11.108 8.575 2.089 1.00 0.00 C ATOM 857 O ASP A 54 -10.194 9.361 2.231 1.00 0.00 O ATOM 858 CB ASP A 54 -13.224 9.600 2.943 1.00 0.00 C ATOM 859 CG ASP A 54 -12.364 10.691 3.584 1.00 0.00 C ATOM 860 OD1 ASP A 54 -12.292 11.769 3.018 1.00 0.00 O ATOM 861 OD2 ASP A 54 -11.793 10.430 4.629 1.00 0.00 O ATOM 0 H ASP A 54 -14.133 7.658 1.673 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.440 9.831 0.951 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.197 10.006 2.665 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.406 8.798 3.659 1.00 0.00 H new ATOM 866 N GLU A 55 -10.934 7.292 2.259 1.00 0.00 N ATOM 867 CA GLU A 55 -9.592 6.763 2.634 1.00 0.00 C ATOM 868 C GLU A 55 -8.684 6.740 1.402 1.00 0.00 C ATOM 869 O GLU A 55 -7.520 7.078 1.471 1.00 0.00 O ATOM 870 CB GLU A 55 -9.741 5.343 3.182 1.00 0.00 C ATOM 871 CG GLU A 55 -9.273 5.304 4.638 1.00 0.00 C ATOM 872 CD GLU A 55 -10.445 5.648 5.561 1.00 0.00 C ATOM 873 OE1 GLU A 55 -10.713 6.826 5.730 1.00 0.00 O ATOM 874 OE2 GLU A 55 -11.052 4.727 6.081 1.00 0.00 O ATOM 0 H GLU A 55 -11.664 6.587 2.154 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.150 7.405 3.396 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.781 5.024 3.115 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.154 4.647 2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.884 4.315 4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.458 6.012 4.788 1.00 0.00 H new ATOM 881 N ILE A 56 -9.206 6.337 0.275 1.00 0.00 N ATOM 882 CA ILE A 56 -8.370 6.287 -0.958 1.00 0.00 C ATOM 883 C ILE A 56 -8.114 7.708 -1.465 1.00 0.00 C ATOM 884 O ILE A 56 -7.058 8.010 -1.983 1.00 0.00 O ATOM 885 CB ILE A 56 -9.100 5.484 -2.036 1.00 0.00 C ATOM 886 CG1 ILE A 56 -9.259 4.034 -1.570 1.00 0.00 C ATOM 887 CG2 ILE A 56 -8.290 5.515 -3.334 1.00 0.00 C ATOM 888 CD1 ILE A 56 -10.443 3.390 -2.293 1.00 0.00 C ATOM 0 H ILE A 56 -10.175 6.040 0.155 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.417 5.809 -0.730 1.00 0.00 H new ATOM 0 HB ILE A 56 -10.083 5.921 -2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -8.347 3.474 -1.774 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.418 4.003 -0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.811 4.943 -4.102 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -8.175 6.547 -3.666 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.307 5.078 -3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.555 2.358 -1.960 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -11.353 3.945 -2.066 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -10.266 3.407 -3.368 1.00 0.00 H new ATOM 900 N LEU A 57 -9.073 8.581 -1.324 1.00 0.00 N ATOM 901 CA LEU A 57 -8.882 9.980 -1.801 1.00 0.00 C ATOM 902 C LEU A 57 -7.817 10.669 -0.947 1.00 0.00 C ATOM 903 O LEU A 57 -7.077 11.510 -1.420 1.00 0.00 O ATOM 904 CB LEU A 57 -10.203 10.742 -1.681 1.00 0.00 C ATOM 905 CG LEU A 57 -11.037 10.518 -2.943 1.00 0.00 C ATOM 906 CD1 LEU A 57 -12.516 10.742 -2.622 1.00 0.00 C ATOM 907 CD2 LEU A 57 -10.594 11.505 -4.025 1.00 0.00 C ATOM 0 H LEU A 57 -9.980 8.387 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.561 9.969 -2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.753 10.402 -0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.010 11.806 -1.544 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.894 9.498 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.112 10.583 -3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -12.831 10.041 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.661 11.762 -2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.187 11.348 -4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.739 12.525 -3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.540 11.347 -4.252 1.00 0.00 H new ATOM 919 N GLY A 58 -7.733 10.321 0.308 1.00 0.00 N ATOM 920 CA GLY A 58 -6.715 10.957 1.190 1.00 0.00 C ATOM 921 C GLY A 58 -5.321 10.465 0.800 1.00 0.00 C ATOM 922 O GLY A 58 -4.393 11.238 0.673 1.00 0.00 O ATOM 0 H GLY A 58 -8.325 9.624 0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.767 12.042 1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.919 10.714 2.233 1.00 0.00 H new ATOM 926 N ALA A 59 -5.166 9.183 0.611 1.00 0.00 N ATOM 927 CA ALA A 59 -3.831 8.642 0.229 1.00 0.00 C ATOM 928 C ALA A 59 -3.361 9.306 -1.066 1.00 0.00 C ATOM 929 O ALA A 59 -2.282 9.862 -1.133 1.00 0.00 O ATOM 930 CB ALA A 59 -3.935 7.130 0.018 1.00 0.00 C ATOM 0 H ALA A 59 -5.906 8.487 0.705 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.115 8.850 1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.959 6.734 -0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.268 6.656 0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.652 6.922 -0.776 1.00 0.00 H new ATOM 936 N VAL A 60 -4.160 9.254 -2.096 1.00 0.00 N ATOM 937 CA VAL A 60 -3.756 9.883 -3.385 1.00 0.00 C ATOM 938 C VAL A 60 -3.591 11.391 -3.186 1.00 0.00 C ATOM 939 O VAL A 60 -2.820 12.036 -3.868 1.00 0.00 O ATOM 940 CB VAL A 60 -4.830 9.624 -4.441 1.00 0.00 C ATOM 941 CG1 VAL A 60 -4.448 10.332 -5.741 1.00 0.00 C ATOM 942 CG2 VAL A 60 -4.940 8.118 -4.696 1.00 0.00 C ATOM 0 H VAL A 60 -5.075 8.803 -2.101 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.811 9.453 -3.717 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.788 10.005 -4.087 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.214 10.147 -6.494 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.367 11.404 -5.561 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.491 9.950 -6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.706 7.931 -5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.982 7.738 -5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.211 7.611 -3.770 1.00 0.00 H new ATOM 952 N ASP A 61 -4.309 11.959 -2.256 1.00 0.00 N ATOM 953 CA ASP A 61 -4.193 13.425 -2.016 1.00 0.00 C ATOM 954 C ASP A 61 -2.777 13.755 -1.538 1.00 0.00 C ATOM 955 O ASP A 61 -2.148 14.676 -2.018 1.00 0.00 O ATOM 956 CB ASP A 61 -5.203 13.850 -0.948 1.00 0.00 C ATOM 957 CG ASP A 61 -6.182 14.863 -1.545 1.00 0.00 C ATOM 958 OD1 ASP A 61 -5.831 15.487 -2.533 1.00 0.00 O ATOM 959 OD2 ASP A 61 -7.268 14.996 -1.004 1.00 0.00 O ATOM 0 H ASP A 61 -4.971 11.471 -1.652 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.397 13.960 -2.943 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.745 12.980 -0.578 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.684 14.289 -0.096 1.00 0.00 H new ATOM 964 N LEU A 62 -2.270 13.009 -0.596 1.00 0.00 N ATOM 965 CA LEU A 62 -0.896 13.280 -0.087 1.00 0.00 C ATOM 966 C LEU A 62 0.126 12.938 -1.173 1.00 0.00 C ATOM 967 O LEU A 62 1.160 13.564 -1.283 1.00 0.00 O ATOM 968 CB LEU A 62 -0.634 12.424 1.153 1.00 0.00 C ATOM 969 CG LEU A 62 0.773 12.705 1.680 1.00 0.00 C ATOM 970 CD1 LEU A 62 0.736 13.914 2.617 1.00 0.00 C ATOM 971 CD2 LEU A 62 1.283 11.482 2.447 1.00 0.00 C ATOM 0 H LEU A 62 -2.748 12.223 -0.156 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.806 14.334 0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.373 12.645 1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.737 11.367 0.907 1.00 0.00 H new ATOM 0 HG LEU A 62 1.439 12.915 0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.739 14.114 2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.372 14.785 2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.070 13.705 3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.286 11.681 2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.616 11.273 3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.310 10.620 1.781 1.00 0.00 H new ATOM 983 N ALA A 63 -0.158 11.951 -1.978 1.00 0.00 N ATOM 984 CA ALA A 63 0.797 11.575 -3.058 1.00 0.00 C ATOM 985 C ALA A 63 0.728 12.614 -4.178 1.00 0.00 C ATOM 986 O ALA A 63 1.623 12.729 -4.990 1.00 0.00 O ATOM 987 CB ALA A 63 0.425 10.199 -3.614 1.00 0.00 C ATOM 0 H ALA A 63 -1.009 11.390 -1.935 1.00 0.00 H new ATOM 0 HA ALA A 63 1.809 11.540 -2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.124 9.925 -4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.472 9.459 -2.815 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.586 10.232 -4.020 1.00 0.00 H new ATOM 993 N ARG A 64 -0.333 13.374 -4.226 1.00 0.00 N ATOM 994 CA ARG A 64 -0.462 14.407 -5.291 1.00 0.00 C ATOM 995 C ARG A 64 0.620 15.473 -5.100 1.00 0.00 C ATOM 996 O ARG A 64 0.832 16.316 -5.949 1.00 0.00 O ATOM 997 CB ARG A 64 -1.843 15.060 -5.200 1.00 0.00 C ATOM 998 CG ARG A 64 -2.793 14.385 -6.193 1.00 0.00 C ATOM 999 CD ARG A 64 -3.305 15.423 -7.192 1.00 0.00 C ATOM 1000 NE ARG A 64 -3.736 16.647 -6.459 1.00 0.00 N ATOM 1001 CZ ARG A 64 -4.206 17.671 -7.118 1.00 0.00 C ATOM 1002 NH1 ARG A 64 -5.350 17.580 -7.739 1.00 0.00 N ATOM 1003 NH2 ARG A 64 -3.530 18.787 -7.155 1.00 0.00 N ATOM 0 H ARG A 64 -1.115 13.323 -3.573 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.343 13.940 -6.269 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.234 14.969 -4.187 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.768 16.125 -5.418 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.277 13.582 -6.719 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -3.630 13.932 -5.662 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.522 15.672 -7.908 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.140 15.014 -7.762 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.664 16.685 -5.442 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.878 16.708 -7.710 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.716 18.381 -8.254 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.636 18.858 -6.669 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.896 19.588 -7.670 1.00 0.00 H new ATOM 1017 N LYS A 65 1.306 15.443 -3.990 1.00 0.00 N ATOM 1018 CA LYS A 65 2.372 16.454 -3.745 1.00 0.00 C ATOM 1019 C LYS A 65 3.449 16.333 -4.825 1.00 0.00 C ATOM 1020 O LYS A 65 4.282 17.202 -4.986 1.00 0.00 O ATOM 1021 CB LYS A 65 2.997 16.214 -2.370 1.00 0.00 C ATOM 1022 CG LYS A 65 3.916 17.384 -2.015 1.00 0.00 C ATOM 1023 CD LYS A 65 3.071 18.597 -1.622 1.00 0.00 C ATOM 1024 CE LYS A 65 3.864 19.476 -0.654 1.00 0.00 C ATOM 1025 NZ LYS A 65 3.595 19.040 0.746 1.00 0.00 N ATOM 0 H LYS A 65 1.174 14.762 -3.242 1.00 0.00 H new ATOM 0 HA LYS A 65 1.938 17.454 -3.776 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.216 16.110 -1.617 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.562 15.282 -2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.576 17.106 -1.193 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.552 17.631 -2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.799 19.168 -2.510 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.141 18.271 -1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.930 19.404 -0.870 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.583 20.521 -0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.134 19.637 1.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.579 19.130 0.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.884 18.048 0.862 1.00 0.00 H new ATOM 1039 N SER A 66 3.440 15.259 -5.568 1.00 0.00 N ATOM 1040 CA SER A 66 4.463 15.083 -6.636 1.00 0.00 C ATOM 1041 C SER A 66 5.813 14.747 -6.002 1.00 0.00 C ATOM 1042 O SER A 66 6.739 15.535 -6.034 1.00 0.00 O ATOM 1043 CB SER A 66 4.588 16.376 -7.442 1.00 0.00 C ATOM 1044 OG SER A 66 5.210 16.094 -8.689 1.00 0.00 O ATOM 0 H SER A 66 2.768 14.497 -5.481 1.00 0.00 H new ATOM 0 HA SER A 66 4.160 14.270 -7.296 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.603 16.813 -7.605 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.174 17.109 -6.887 1.00 0.00 H new ATOM 0 HG SER A 66 5.290 16.921 -9.209 1.00 0.00 H new ATOM 1050 N SER A 67 5.936 13.584 -5.424 1.00 0.00 N ATOM 1051 CA SER A 67 7.227 13.200 -4.790 1.00 0.00 C ATOM 1052 C SER A 67 7.354 11.676 -4.774 1.00 0.00 C ATOM 1053 O SER A 67 8.417 11.129 -4.990 1.00 0.00 O ATOM 1054 CB SER A 67 7.266 13.728 -3.356 1.00 0.00 C ATOM 1055 OG SER A 67 6.458 12.902 -2.529 1.00 0.00 O ATOM 0 H SER A 67 5.197 12.883 -5.364 1.00 0.00 H new ATOM 0 HA SER A 67 8.053 13.628 -5.359 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.292 13.738 -2.988 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.906 14.756 -3.325 1.00 0.00 H new ATOM 0 HG SER A 67 6.482 13.237 -1.608 1.00 0.00 H new ATOM 1061 N LYS A 68 6.278 10.985 -4.517 1.00 0.00 N ATOM 1062 CA LYS A 68 6.338 9.496 -4.485 1.00 0.00 C ATOM 1063 C LYS A 68 5.654 8.931 -5.733 1.00 0.00 C ATOM 1064 O LYS A 68 4.782 9.561 -6.298 1.00 0.00 O ATOM 1065 CB LYS A 68 5.622 8.979 -3.232 1.00 0.00 C ATOM 1066 CG LYS A 68 5.711 10.025 -2.118 1.00 0.00 C ATOM 1067 CD LYS A 68 5.698 9.330 -0.755 1.00 0.00 C ATOM 1068 CE LYS A 68 5.869 10.373 0.351 1.00 0.00 C ATOM 1069 NZ LYS A 68 4.655 11.235 0.413 1.00 0.00 N ATOM 0 H LYS A 68 5.360 11.387 -4.328 1.00 0.00 H new ATOM 0 HA LYS A 68 7.380 9.176 -4.464 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.578 8.765 -3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.075 8.044 -2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.623 10.612 -2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.874 10.720 -2.191 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.761 8.790 -0.619 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.500 8.594 -0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.027 9.879 1.310 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.752 10.983 0.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.911 12.213 0.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.946 10.885 -0.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.259 11.208 1.374 1.00 0.00 H new ATOM 1083 N PRO A 69 6.073 7.755 -6.125 1.00 0.00 N ATOM 1084 CA PRO A 69 5.522 7.066 -7.305 1.00 0.00 C ATOM 1085 C PRO A 69 4.173 6.425 -6.966 1.00 0.00 C ATOM 1086 O PRO A 69 4.081 5.572 -6.106 1.00 0.00 O ATOM 1087 CB PRO A 69 6.572 5.998 -7.620 1.00 0.00 C ATOM 1088 CG PRO A 69 7.358 5.758 -6.308 1.00 0.00 C ATOM 1089 CD PRO A 69 7.136 7.002 -5.427 1.00 0.00 C ATOM 0 HA PRO A 69 5.337 7.734 -8.146 1.00 0.00 H new ATOM 0 HB2 PRO A 69 6.099 5.078 -7.963 1.00 0.00 H new ATOM 0 HB3 PRO A 69 7.238 6.331 -8.416 1.00 0.00 H new ATOM 0 HG2 PRO A 69 7.005 4.858 -5.804 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.419 5.613 -6.513 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.831 6.726 -4.417 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.048 7.593 -5.335 1.00 0.00 H new ATOM 1097 N ILE A 70 3.128 6.828 -7.636 1.00 0.00 N ATOM 1098 CA ILE A 70 1.789 6.240 -7.350 1.00 0.00 C ATOM 1099 C ILE A 70 1.525 5.078 -8.310 1.00 0.00 C ATOM 1100 O ILE A 70 1.551 5.237 -9.514 1.00 0.00 O ATOM 1101 CB ILE A 70 0.712 7.309 -7.537 1.00 0.00 C ATOM 1102 CG1 ILE A 70 0.949 8.446 -6.539 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -0.667 6.695 -7.290 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -0.229 9.421 -6.584 1.00 0.00 C ATOM 0 H ILE A 70 3.144 7.538 -8.368 1.00 0.00 H new ATOM 0 HA ILE A 70 1.765 5.875 -6.323 1.00 0.00 H new ATOM 0 HB ILE A 70 0.758 7.698 -8.554 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.062 8.043 -5.533 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.875 8.968 -6.779 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.434 7.458 -7.423 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.836 5.883 -7.997 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.715 6.306 -6.273 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.059 10.230 -5.873 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.321 9.834 -7.588 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.147 8.895 -6.322 1.00 0.00 H new ATOM 1116 N ILE A 71 1.271 3.911 -7.786 1.00 0.00 N ATOM 1117 CA ILE A 71 1.003 2.739 -8.666 1.00 0.00 C ATOM 1118 C ILE A 71 -0.433 2.260 -8.451 1.00 0.00 C ATOM 1119 O ILE A 71 -0.804 1.844 -7.371 1.00 0.00 O ATOM 1120 CB ILE A 71 1.976 1.610 -8.323 1.00 0.00 C ATOM 1121 CG1 ILE A 71 3.414 2.112 -8.467 1.00 0.00 C ATOM 1122 CG2 ILE A 71 1.749 0.435 -9.276 1.00 0.00 C ATOM 1123 CD1 ILE A 71 4.312 1.381 -7.468 1.00 0.00 C ATOM 0 H ILE A 71 1.237 3.718 -6.785 1.00 0.00 H new ATOM 0 HA ILE A 71 1.137 3.028 -9.708 1.00 0.00 H new ATOM 0 HB ILE A 71 1.807 1.285 -7.297 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.769 1.943 -9.483 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.455 3.187 -8.290 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.442 -0.370 -9.032 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.725 0.076 -9.173 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.918 0.761 -10.302 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.337 1.738 -7.570 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.960 1.573 -6.454 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.280 0.310 -7.666 1.00 0.00 H new ATOM 1135 N THR A 72 -1.246 2.314 -9.470 1.00 0.00 N ATOM 1136 CA THR A 72 -2.657 1.862 -9.322 1.00 0.00 C ATOM 1137 C THR A 72 -2.723 0.343 -9.489 1.00 0.00 C ATOM 1138 O THR A 72 -1.978 -0.240 -10.251 1.00 0.00 O ATOM 1139 CB THR A 72 -3.523 2.530 -10.393 1.00 0.00 C ATOM 1140 OG1 THR A 72 -3.435 3.942 -10.258 1.00 0.00 O ATOM 1141 CG2 THR A 72 -4.978 2.088 -10.223 1.00 0.00 C ATOM 0 H THR A 72 -0.994 2.652 -10.399 1.00 0.00 H new ATOM 0 HA THR A 72 -3.026 2.137 -8.334 1.00 0.00 H new ATOM 0 HB THR A 72 -3.170 2.237 -11.382 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.280 4.172 -9.318 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.594 2.564 -10.986 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.044 1.005 -10.327 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.334 2.380 -9.235 1.00 0.00 H new ATOM 1149 N VAL A 73 -3.608 -0.302 -8.782 1.00 0.00 N ATOM 1150 CA VAL A 73 -3.718 -1.783 -8.901 1.00 0.00 C ATOM 1151 C VAL A 73 -5.127 -2.154 -9.373 1.00 0.00 C ATOM 1152 O VAL A 73 -6.102 -1.933 -8.682 1.00 0.00 O ATOM 1153 CB VAL A 73 -3.448 -2.425 -7.539 1.00 0.00 C ATOM 1154 CG1 VAL A 73 -3.858 -3.898 -7.575 1.00 0.00 C ATOM 1155 CG2 VAL A 73 -1.955 -2.321 -7.218 1.00 0.00 C ATOM 0 H VAL A 73 -4.259 0.131 -8.128 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.987 -2.146 -9.624 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.026 -1.908 -6.773 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.665 -4.353 -6.604 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.920 -3.974 -7.807 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.281 -4.418 -8.340 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.759 -2.778 -6.248 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.381 -2.839 -7.986 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.661 -1.272 -7.191 1.00 0.00 H new ATOM 1165 N ARG A 74 -5.240 -2.717 -10.546 1.00 0.00 N ATOM 1166 CA ARG A 74 -6.584 -3.102 -11.059 1.00 0.00 C ATOM 1167 C ARG A 74 -7.269 -4.026 -10.046 1.00 0.00 C ATOM 1168 O ARG A 74 -6.615 -4.798 -9.374 1.00 0.00 O ATOM 1169 CB ARG A 74 -6.427 -3.830 -12.397 1.00 0.00 C ATOM 1170 CG ARG A 74 -5.723 -2.910 -13.398 1.00 0.00 C ATOM 1171 CD ARG A 74 -5.620 -3.612 -14.754 1.00 0.00 C ATOM 1172 NE ARG A 74 -5.008 -2.685 -15.747 1.00 0.00 N ATOM 1173 CZ ARG A 74 -3.907 -3.021 -16.361 1.00 0.00 C ATOM 1174 NH1 ARG A 74 -3.757 -4.236 -16.813 1.00 0.00 N ATOM 1175 NH2 ARG A 74 -2.957 -2.141 -16.526 1.00 0.00 N ATOM 0 H ARG A 74 -4.460 -2.926 -11.169 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.192 -2.209 -11.202 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.851 -4.745 -12.260 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.404 -4.123 -12.781 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.276 -1.977 -13.501 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.728 -2.652 -13.034 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.016 -4.515 -14.663 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.609 -3.922 -15.091 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.450 -1.788 -15.947 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.500 -4.923 -16.686 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.896 -4.499 -17.293 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.075 -1.191 -16.175 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.096 -2.404 -17.006 1.00 0.00 H new ATOM 1189 N PRO A 75 -8.570 -3.913 -9.965 1.00 0.00 N ATOM 1190 CA PRO A 75 -9.382 -4.721 -9.039 1.00 0.00 C ATOM 1191 C PRO A 75 -9.588 -6.132 -9.598 1.00 0.00 C ATOM 1192 O PRO A 75 -9.340 -6.394 -10.758 1.00 0.00 O ATOM 1193 CB PRO A 75 -10.709 -3.961 -8.970 1.00 0.00 C ATOM 1194 CG PRO A 75 -10.793 -3.110 -10.260 1.00 0.00 C ATOM 1195 CD PRO A 75 -9.354 -2.969 -10.790 1.00 0.00 C ATOM 0 HA PRO A 75 -8.918 -4.849 -8.061 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.549 -4.652 -8.905 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.748 -3.328 -8.084 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -11.433 -3.591 -11.000 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.226 -2.132 -10.051 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.293 -3.220 -11.849 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -8.988 -1.948 -10.683 1.00 0.00 H new ATOM 1203 N TYR A 76 -10.039 -7.043 -8.780 1.00 0.00 N ATOM 1204 CA TYR A 76 -10.261 -8.437 -9.261 1.00 0.00 C ATOM 1205 C TYR A 76 -11.582 -8.508 -10.028 1.00 0.00 C ATOM 1206 O TYR A 76 -11.770 -9.351 -10.882 1.00 0.00 O ATOM 1207 CB TYR A 76 -10.318 -9.385 -8.063 1.00 0.00 C ATOM 1208 CG TYR A 76 -9.617 -10.678 -8.408 1.00 0.00 C ATOM 1209 CD1 TYR A 76 -9.591 -11.129 -9.734 1.00 0.00 C ATOM 1210 CD2 TYR A 76 -8.994 -11.425 -7.400 1.00 0.00 C ATOM 1211 CE1 TYR A 76 -8.940 -12.328 -10.053 1.00 0.00 C ATOM 1212 CE2 TYR A 76 -8.344 -12.625 -7.719 1.00 0.00 C ATOM 1213 CZ TYR A 76 -8.317 -13.076 -9.045 1.00 0.00 C ATOM 1214 OH TYR A 76 -7.676 -14.258 -9.358 1.00 0.00 O ATOM 0 H TYR A 76 -10.264 -6.882 -7.798 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.442 -8.729 -9.919 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.844 -8.922 -7.197 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.355 -9.583 -7.791 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -10.073 -10.553 -10.510 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.015 -11.077 -6.378 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.918 -12.676 -11.075 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.864 -13.202 -6.943 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.297 -14.650 -8.544 1.00 0.00 H new ATOM 1224 N GLY A 77 -12.502 -7.631 -9.728 1.00 0.00 N ATOM 1225 CA GLY A 77 -13.813 -7.653 -10.436 1.00 0.00 C ATOM 1226 C GLY A 77 -13.733 -6.783 -11.691 1.00 0.00 C ATOM 1227 O GLY A 77 -14.587 -6.843 -12.554 1.00 0.00 O ATOM 0 H GLY A 77 -12.402 -6.901 -9.023 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.074 -8.676 -10.707 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.600 -7.287 -9.777 1.00 0.00 H new ATOM 1231 N LEU A 78 -12.715 -5.974 -11.804 1.00 0.00 N ATOM 1232 CA LEU A 78 -12.588 -5.102 -13.006 1.00 0.00 C ATOM 1233 C LEU A 78 -13.791 -4.159 -13.079 1.00 0.00 C ATOM 1234 O LEU A 78 -14.805 -4.474 -13.669 1.00 0.00 O ATOM 1235 CB LEU A 78 -12.547 -5.973 -14.263 1.00 0.00 C ATOM 1236 CG LEU A 78 -12.452 -5.080 -15.502 1.00 0.00 C ATOM 1237 CD1 LEU A 78 -11.285 -4.106 -15.342 1.00 0.00 C ATOM 1238 CD2 LEU A 78 -12.222 -5.950 -16.740 1.00 0.00 C ATOM 0 H LEU A 78 -11.967 -5.879 -11.117 1.00 0.00 H new ATOM 0 HA LEU A 78 -11.671 -4.517 -12.938 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.692 -6.648 -14.222 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -13.441 -6.594 -14.317 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.380 -4.519 -15.617 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.218 -3.470 -16.225 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.447 -3.486 -14.460 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.357 -4.666 -15.227 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.154 -5.315 -17.623 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.294 -6.510 -16.624 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.054 -6.645 -16.856 1.00 0.00 H new ATOM 1250 N GLU A 79 -13.690 -3.003 -12.481 1.00 0.00 N ATOM 1251 CA GLU A 79 -14.831 -2.044 -12.516 1.00 0.00 C ATOM 1252 C GLU A 79 -14.472 -0.857 -13.404 1.00 0.00 C ATOM 1253 O GLU A 79 -15.093 0.187 -13.353 1.00 0.00 O ATOM 1254 CB GLU A 79 -15.124 -1.549 -11.103 1.00 0.00 C ATOM 1255 CG GLU A 79 -16.473 -2.102 -10.638 1.00 0.00 C ATOM 1256 CD GLU A 79 -16.377 -3.622 -10.489 1.00 0.00 C ATOM 1257 OE1 GLU A 79 -15.354 -4.171 -10.862 1.00 0.00 O ATOM 1258 OE2 GLU A 79 -17.330 -4.211 -10.004 1.00 0.00 O ATOM 0 H GLU A 79 -12.868 -2.681 -11.970 1.00 0.00 H new ATOM 0 HA GLU A 79 -15.712 -2.545 -12.917 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -14.334 -1.869 -10.423 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.140 -0.459 -11.084 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -16.755 -1.650 -9.687 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -17.251 -1.845 -11.357 1.00 0.00 H new ATOM 1265 N ASN A 80 -13.473 -1.012 -14.218 1.00 0.00 N ATOM 1266 CA ASN A 80 -13.061 0.099 -15.119 1.00 0.00 C ATOM 1267 C ASN A 80 -12.752 1.345 -14.286 1.00 0.00 C ATOM 1268 O ASN A 80 -13.579 2.222 -14.133 1.00 0.00 O ATOM 1269 CB ASN A 80 -14.196 0.412 -16.096 1.00 0.00 C ATOM 1270 CG ASN A 80 -14.037 -0.441 -17.355 1.00 0.00 C ATOM 1271 OD1 ASN A 80 -13.399 -0.031 -18.304 1.00 0.00 O ATOM 1272 ND2 ASN A 80 -14.594 -1.620 -17.406 1.00 0.00 N ATOM 0 H ASN A 80 -12.919 -1.864 -14.301 1.00 0.00 H new ATOM 0 HA ASN A 80 -12.172 -0.198 -15.675 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -15.159 0.211 -15.627 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -14.184 1.470 -16.357 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -14.493 -2.196 -18.242 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -15.130 -1.966 -16.610 1.00 0.00 H new ATOM 1279 N VAL A 81 -11.567 1.431 -13.748 1.00 0.00 N ATOM 1280 CA VAL A 81 -11.207 2.622 -12.927 1.00 0.00 C ATOM 1281 C VAL A 81 -11.679 3.893 -13.642 1.00 0.00 C ATOM 1282 O VAL A 81 -11.691 3.951 -14.856 1.00 0.00 O ATOM 1283 CB VAL A 81 -9.689 2.675 -12.741 1.00 0.00 C ATOM 1284 CG1 VAL A 81 -9.300 1.863 -11.504 1.00 0.00 C ATOM 1285 CG2 VAL A 81 -9.000 2.086 -13.974 1.00 0.00 C ATOM 0 H VAL A 81 -10.833 0.729 -13.841 1.00 0.00 H new ATOM 0 HA VAL A 81 -11.689 2.551 -11.952 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.376 3.711 -12.612 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.219 1.900 -11.370 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.789 2.282 -10.625 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.615 0.828 -11.635 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.919 2.125 -13.840 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.313 1.050 -14.105 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.277 2.663 -14.856 1.00 0.00 H new ATOM 1295 N PRO A 82 -12.054 4.875 -12.862 1.00 0.00 N ATOM 1296 CA PRO A 82 -12.536 6.165 -13.388 1.00 0.00 C ATOM 1297 C PRO A 82 -11.357 7.025 -13.860 1.00 0.00 C ATOM 1298 O PRO A 82 -10.213 6.691 -13.622 1.00 0.00 O ATOM 1299 CB PRO A 82 -13.233 6.804 -12.184 1.00 0.00 C ATOM 1300 CG PRO A 82 -12.636 6.131 -10.925 1.00 0.00 C ATOM 1301 CD PRO A 82 -12.033 4.792 -11.387 1.00 0.00 C ATOM 0 HA PRO A 82 -13.196 6.059 -14.249 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -13.066 7.881 -12.165 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -14.311 6.650 -12.232 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -11.873 6.764 -10.472 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.405 5.970 -10.170 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -11.019 4.661 -11.010 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.619 3.946 -11.027 1.00 0.00 H new ATOM 1309 N PRO A 83 -11.678 8.107 -14.521 1.00 0.00 N ATOM 1310 CA PRO A 83 -10.670 9.044 -15.049 1.00 0.00 C ATOM 1311 C PRO A 83 -10.124 9.934 -13.927 1.00 0.00 C ATOM 1312 O PRO A 83 -9.317 10.812 -14.156 1.00 0.00 O ATOM 1313 CB PRO A 83 -11.452 9.872 -16.072 1.00 0.00 C ATOM 1314 CG PRO A 83 -12.944 9.763 -15.673 1.00 0.00 C ATOM 1315 CD PRO A 83 -13.074 8.498 -14.805 1.00 0.00 C ATOM 0 HA PRO A 83 -9.805 8.543 -15.484 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -11.123 10.911 -16.064 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.291 9.494 -17.082 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.263 10.647 -15.121 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -13.578 9.693 -16.557 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -13.625 8.700 -13.887 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -13.610 7.708 -15.331 1.00 0.00 H new ATOM 1323 N GLU A 84 -10.560 9.714 -12.716 1.00 0.00 N ATOM 1324 CA GLU A 84 -10.064 10.548 -11.585 1.00 0.00 C ATOM 1325 C GLU A 84 -8.725 9.996 -11.091 1.00 0.00 C ATOM 1326 O GLU A 84 -7.789 10.733 -10.851 1.00 0.00 O ATOM 1327 CB GLU A 84 -11.082 10.517 -10.442 1.00 0.00 C ATOM 1328 CG GLU A 84 -10.545 11.324 -9.259 1.00 0.00 C ATOM 1329 CD GLU A 84 -9.753 10.401 -8.330 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -10.165 9.265 -8.162 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -8.748 10.847 -7.801 1.00 0.00 O ATOM 0 H GLU A 84 -11.237 8.994 -12.462 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.930 11.575 -11.924 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.033 10.931 -10.777 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.272 9.488 -10.138 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.907 12.133 -9.616 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.370 11.785 -8.715 1.00 0.00 H new ATOM 1338 N LEU A 85 -8.625 8.704 -10.940 1.00 0.00 N ATOM 1339 CA LEU A 85 -7.344 8.107 -10.465 1.00 0.00 C ATOM 1340 C LEU A 85 -6.398 7.915 -11.653 1.00 0.00 C ATOM 1341 O LEU A 85 -5.255 7.537 -11.493 1.00 0.00 O ATOM 1342 CB LEU A 85 -7.625 6.751 -9.814 1.00 0.00 C ATOM 1343 CG LEU A 85 -6.636 6.520 -8.669 1.00 0.00 C ATOM 1344 CD1 LEU A 85 -7.405 6.317 -7.364 1.00 0.00 C ATOM 1345 CD2 LEU A 85 -5.797 5.274 -8.964 1.00 0.00 C ATOM 0 H LEU A 85 -9.374 8.036 -11.125 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.881 8.773 -9.736 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.647 6.721 -9.437 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.534 5.955 -10.553 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.981 7.386 -8.574 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.701 6.152 -6.549 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.004 7.203 -7.153 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.060 5.451 -7.458 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.092 5.109 -8.149 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.452 4.408 -9.058 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.248 5.417 -9.895 1.00 0.00 H new ATOM 1357 N GLU A 86 -6.865 8.173 -12.844 1.00 0.00 N ATOM 1358 CA GLU A 86 -5.994 8.006 -14.040 1.00 0.00 C ATOM 1359 C GLU A 86 -5.186 9.285 -14.268 1.00 0.00 C ATOM 1360 O GLU A 86 -4.246 9.308 -15.038 1.00 0.00 O ATOM 1361 CB GLU A 86 -6.865 7.728 -15.267 1.00 0.00 C ATOM 1362 CG GLU A 86 -6.080 6.883 -16.272 1.00 0.00 C ATOM 1363 CD GLU A 86 -6.974 5.759 -16.800 1.00 0.00 C ATOM 1364 OE1 GLU A 86 -8.140 5.741 -16.446 1.00 0.00 O ATOM 1365 OE2 GLU A 86 -6.476 4.935 -17.548 1.00 0.00 O ATOM 0 H GLU A 86 -7.814 8.493 -13.040 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.312 7.171 -13.879 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.774 7.206 -14.969 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.173 8.667 -15.728 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.735 7.506 -17.097 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.193 6.464 -15.797 1.00 0.00 H new ATOM 1372 N ALA A 87 -5.544 10.350 -13.604 1.00 0.00 N ATOM 1373 CA ALA A 87 -4.796 11.626 -13.785 1.00 0.00 C ATOM 1374 C ALA A 87 -3.703 11.734 -12.719 1.00 0.00 C ATOM 1375 O ALA A 87 -3.063 12.756 -12.575 1.00 0.00 O ATOM 1376 CB ALA A 87 -5.759 12.806 -13.648 1.00 0.00 C ATOM 0 H ALA A 87 -6.321 10.392 -12.945 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.340 11.641 -14.775 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.212 13.739 -13.780 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.537 12.731 -14.408 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.215 12.790 -12.658 1.00 0.00 H new ATOM 1382 N VAL A 88 -3.483 10.687 -11.972 1.00 0.00 N ATOM 1383 CA VAL A 88 -2.432 10.733 -10.919 1.00 0.00 C ATOM 1384 C VAL A 88 -1.782 9.354 -10.784 1.00 0.00 C ATOM 1385 O VAL A 88 -1.079 9.079 -9.832 1.00 0.00 O ATOM 1386 CB VAL A 88 -3.063 11.133 -9.585 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -3.391 12.626 -9.602 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -4.350 10.332 -9.370 1.00 0.00 C ATOM 0 H VAL A 88 -3.986 9.803 -12.046 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.674 11.465 -11.196 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.363 10.924 -8.776 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.841 12.911 -8.651 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.476 13.198 -9.756 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.090 12.836 -10.411 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.801 10.616 -8.419 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.049 10.542 -10.180 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.118 9.267 -9.358 1.00 0.00 H new ATOM 1398 N SER A 89 -2.011 8.484 -11.730 1.00 0.00 N ATOM 1399 CA SER A 89 -1.406 7.125 -11.655 1.00 0.00 C ATOM 1400 C SER A 89 -0.048 7.134 -12.361 1.00 0.00 C ATOM 1401 O SER A 89 0.035 7.040 -13.570 1.00 0.00 O ATOM 1402 CB SER A 89 -2.331 6.119 -12.340 1.00 0.00 C ATOM 1403 OG SER A 89 -1.626 4.901 -12.552 1.00 0.00 O ATOM 0 H SER A 89 -2.591 8.656 -12.551 1.00 0.00 H new ATOM 0 HA SER A 89 -1.271 6.842 -10.611 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.212 5.940 -11.724 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.682 6.519 -13.291 1.00 0.00 H new ATOM 0 HG SER A 89 -1.938 4.227 -11.912 1.00 0.00 H new ATOM 1409 N SER A 90 1.018 7.247 -11.617 1.00 0.00 N ATOM 1410 CA SER A 90 2.369 7.262 -12.248 1.00 0.00 C ATOM 1411 C SER A 90 2.575 5.969 -13.039 1.00 0.00 C ATOM 1412 O SER A 90 3.279 5.944 -14.030 1.00 0.00 O ATOM 1413 CB SER A 90 3.439 7.373 -11.161 1.00 0.00 C ATOM 1414 OG SER A 90 3.716 8.744 -10.912 1.00 0.00 O ATOM 0 H SER A 90 1.012 7.330 -10.600 1.00 0.00 H new ATOM 0 HA SER A 90 2.447 8.116 -12.921 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.097 6.888 -10.247 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.347 6.858 -11.475 1.00 0.00 H new ATOM 0 HG SER A 90 4.400 8.818 -10.214 1.00 0.00 H new ATOM 1420 N GLU A 91 1.968 4.898 -12.612 1.00 0.00 N ATOM 1421 CA GLU A 91 2.128 3.608 -13.341 1.00 0.00 C ATOM 1422 C GLU A 91 0.918 2.714 -13.066 1.00 0.00 C ATOM 1423 O GLU A 91 0.555 2.476 -11.932 1.00 0.00 O ATOM 1424 CB GLU A 91 3.402 2.906 -12.864 1.00 0.00 C ATOM 1425 CG GLU A 91 4.211 2.437 -14.076 1.00 0.00 C ATOM 1426 CD GLU A 91 4.847 3.646 -14.764 1.00 0.00 C ATOM 1427 OE1 GLU A 91 5.232 4.567 -14.063 1.00 0.00 O ATOM 1428 OE2 GLU A 91 4.935 3.631 -15.981 1.00 0.00 O ATOM 0 H GLU A 91 1.367 4.859 -11.789 1.00 0.00 H new ATOM 0 HA GLU A 91 2.200 3.802 -14.411 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.999 3.586 -12.256 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.146 2.055 -12.233 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.984 1.736 -13.761 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.565 1.906 -14.775 1.00 0.00 H new ATOM 1435 N VAL A 92 0.290 2.217 -14.096 1.00 0.00 N ATOM 1436 CA VAL A 92 -0.897 1.340 -13.891 1.00 0.00 C ATOM 1437 C VAL A 92 -0.467 -0.126 -13.983 1.00 0.00 C ATOM 1438 O VAL A 92 0.175 -0.536 -14.929 1.00 0.00 O ATOM 1439 CB VAL A 92 -1.941 1.630 -14.971 1.00 0.00 C ATOM 1440 CG1 VAL A 92 -3.337 1.323 -14.428 1.00 0.00 C ATOM 1441 CG2 VAL A 92 -1.867 3.105 -15.374 1.00 0.00 C ATOM 0 H VAL A 92 0.547 2.380 -15.069 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.327 1.535 -12.908 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.742 1.005 -15.841 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.080 1.530 -15.198 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.393 0.273 -14.142 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.534 1.947 -13.557 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.611 3.310 -16.143 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.064 3.730 -14.503 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.873 3.327 -15.763 1.00 0.00 H new ATOM 1451 N VAL A 93 -0.816 -0.919 -13.008 1.00 0.00 N ATOM 1452 CA VAL A 93 -0.424 -2.356 -13.045 1.00 0.00 C ATOM 1453 C VAL A 93 -1.657 -3.231 -12.821 1.00 0.00 C ATOM 1454 O VAL A 93 -2.552 -2.885 -12.075 1.00 0.00 O ATOM 1455 CB VAL A 93 0.600 -2.638 -11.946 1.00 0.00 C ATOM 1456 CG1 VAL A 93 0.022 -2.225 -10.591 1.00 0.00 C ATOM 1457 CG2 VAL A 93 0.925 -4.134 -11.925 1.00 0.00 C ATOM 0 H VAL A 93 -1.354 -0.635 -12.189 1.00 0.00 H new ATOM 0 HA VAL A 93 0.013 -2.583 -14.018 1.00 0.00 H new ATOM 0 HB VAL A 93 1.509 -2.069 -12.142 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.752 -2.426 -9.807 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.212 -1.160 -10.604 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.887 -2.794 -10.395 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.655 -4.337 -11.142 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.015 -4.701 -11.729 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.336 -4.431 -12.890 1.00 0.00 H new ATOM 1467 N GLY A 94 -1.705 -4.366 -13.460 1.00 0.00 N ATOM 1468 CA GLY A 94 -2.873 -5.272 -13.285 1.00 0.00 C ATOM 1469 C GLY A 94 -2.428 -6.522 -12.527 1.00 0.00 C ATOM 1470 O GLY A 94 -1.570 -6.466 -11.668 1.00 0.00 O ATOM 0 H GLY A 94 -0.984 -4.706 -14.097 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.665 -4.762 -12.737 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.284 -5.548 -14.256 1.00 0.00 H new ATOM 1474 N TRP A 95 -3.001 -7.651 -12.837 1.00 0.00 N ATOM 1475 CA TRP A 95 -2.603 -8.901 -12.134 1.00 0.00 C ATOM 1476 C TRP A 95 -1.474 -9.583 -12.910 1.00 0.00 C ATOM 1477 O TRP A 95 -1.192 -10.749 -12.719 1.00 0.00 O ATOM 1478 CB TRP A 95 -3.806 -9.840 -12.042 1.00 0.00 C ATOM 1479 CG TRP A 95 -4.880 -9.188 -11.234 1.00 0.00 C ATOM 1480 CD1 TRP A 95 -5.887 -8.441 -11.741 1.00 0.00 C ATOM 1481 CD2 TRP A 95 -5.071 -9.206 -9.789 1.00 0.00 C ATOM 1482 NE1 TRP A 95 -6.685 -8.000 -10.700 1.00 0.00 N ATOM 1483 CE2 TRP A 95 -6.223 -8.445 -9.478 1.00 0.00 C ATOM 1484 CE3 TRP A 95 -4.362 -9.803 -8.728 1.00 0.00 C ATOM 1485 CZ2 TRP A 95 -6.657 -8.281 -8.160 1.00 0.00 C ATOM 1486 CZ3 TRP A 95 -4.797 -9.641 -7.401 1.00 0.00 C ATOM 1487 CH2 TRP A 95 -5.943 -8.882 -7.119 1.00 0.00 C ATOM 0 H TRP A 95 -3.726 -7.762 -13.545 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.257 -8.660 -11.129 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.177 -10.074 -13.040 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.511 -10.783 -11.583 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.043 -8.224 -12.787 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.513 -7.417 -10.821 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.479 -10.389 -8.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.538 -7.694 -7.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.247 -10.103 -6.595 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -6.273 -8.762 -6.098 1.00 0.00 H new ATOM 1498 N ASN A 96 -0.822 -8.862 -13.781 1.00 0.00 N ATOM 1499 CA ASN A 96 0.291 -9.467 -14.565 1.00 0.00 C ATOM 1500 C ASN A 96 1.433 -9.843 -13.616 1.00 0.00 C ATOM 1501 O ASN A 96 1.584 -9.248 -12.567 1.00 0.00 O ATOM 1502 CB ASN A 96 0.799 -8.461 -15.599 1.00 0.00 C ATOM 1503 CG ASN A 96 0.067 -8.674 -16.925 1.00 0.00 C ATOM 1504 OD1 ASN A 96 -1.112 -8.972 -16.942 1.00 0.00 O ATOM 1505 ND2 ASN A 96 0.720 -8.535 -18.047 1.00 0.00 N ATOM 0 H ASN A 96 -1.012 -7.881 -13.983 1.00 0.00 H new ATOM 0 HA ASN A 96 -0.069 -10.359 -15.077 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.637 -7.444 -15.242 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.873 -8.582 -15.741 1.00 0.00 H new ATOM 0 HD21 ASN A 96 0.241 -8.676 -18.937 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.709 -8.285 -18.034 1.00 0.00 H new ATOM 1512 N PRO A 97 2.199 -10.825 -14.012 1.00 0.00 N ATOM 1513 CA PRO A 97 3.338 -11.319 -13.216 1.00 0.00 C ATOM 1514 C PRO A 97 4.562 -10.408 -13.381 1.00 0.00 C ATOM 1515 O PRO A 97 5.102 -9.899 -12.419 1.00 0.00 O ATOM 1516 CB PRO A 97 3.614 -12.701 -13.813 1.00 0.00 C ATOM 1517 CG PRO A 97 3.027 -12.685 -15.246 1.00 0.00 C ATOM 1518 CD PRO A 97 1.996 -11.541 -15.288 1.00 0.00 C ATOM 0 HA PRO A 97 3.126 -11.345 -12.147 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.684 -12.908 -13.834 1.00 0.00 H new ATOM 0 HB3 PRO A 97 3.150 -13.483 -13.212 1.00 0.00 H new ATOM 0 HG2 PRO A 97 3.813 -12.525 -15.985 1.00 0.00 H new ATOM 0 HG3 PRO A 97 2.556 -13.639 -15.482 1.00 0.00 H new ATOM 0 HD2 PRO A 97 2.162 -10.886 -16.143 1.00 0.00 H new ATOM 0 HD3 PRO A 97 0.979 -11.924 -15.373 1.00 0.00 H new ATOM 1526 N HIS A 98 5.012 -10.215 -14.592 1.00 0.00 N ATOM 1527 CA HIS A 98 6.212 -9.356 -14.819 1.00 0.00 C ATOM 1528 C HIS A 98 5.834 -7.875 -14.712 1.00 0.00 C ATOM 1529 O HIS A 98 6.679 -7.027 -14.506 1.00 0.00 O ATOM 1530 CB HIS A 98 6.774 -9.635 -16.214 1.00 0.00 C ATOM 1531 CG HIS A 98 8.275 -9.547 -16.181 1.00 0.00 C ATOM 1532 ND1 HIS A 98 9.084 -10.470 -16.826 1.00 0.00 N ATOM 1533 CD2 HIS A 98 9.129 -8.650 -15.586 1.00 0.00 C ATOM 1534 CE1 HIS A 98 10.363 -10.111 -16.607 1.00 0.00 C ATOM 1535 NE2 HIS A 98 10.447 -9.009 -15.857 1.00 0.00 N ATOM 0 H HIS A 98 4.600 -10.615 -15.435 1.00 0.00 H new ATOM 0 HA HIS A 98 6.962 -9.585 -14.062 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.465 -10.625 -16.550 1.00 0.00 H new ATOM 0 HB3 HIS A 98 6.373 -8.916 -16.929 1.00 0.00 H new ATOM 0 HD2 HIS A 98 8.825 -7.797 -14.998 1.00 0.00 H new ATOM 0 HE1 HIS A 98 11.217 -10.649 -16.991 1.00 0.00 H new ATOM 0 HE2 HIS A 98 11.295 -8.533 -15.549 1.00 0.00 H new ATOM 1543 N CYS A 99 4.580 -7.553 -14.859 1.00 0.00 N ATOM 1544 CA CYS A 99 4.168 -6.122 -14.775 1.00 0.00 C ATOM 1545 C CYS A 99 4.271 -5.634 -13.327 1.00 0.00 C ATOM 1546 O CYS A 99 4.212 -4.451 -13.057 1.00 0.00 O ATOM 1547 CB CYS A 99 2.724 -5.978 -15.259 1.00 0.00 C ATOM 1548 SG CYS A 99 2.567 -4.475 -16.254 1.00 0.00 S ATOM 0 H CYS A 99 3.824 -8.215 -15.033 1.00 0.00 H new ATOM 0 HA CYS A 99 4.827 -5.522 -15.403 1.00 0.00 H new ATOM 0 HB2 CYS A 99 2.439 -6.849 -15.849 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.046 -5.935 -14.406 1.00 0.00 H new ATOM 0 HG CYS A 99 1.340 -4.354 -16.667 1.00 0.00 H new ATOM 1554 N ILE A 100 4.424 -6.532 -12.394 1.00 0.00 N ATOM 1555 CA ILE A 100 4.528 -6.111 -10.967 1.00 0.00 C ATOM 1556 C ILE A 100 5.919 -5.525 -10.703 1.00 0.00 C ATOM 1557 O ILE A 100 6.070 -4.570 -9.967 1.00 0.00 O ATOM 1558 CB ILE A 100 4.306 -7.321 -10.058 1.00 0.00 C ATOM 1559 CG1 ILE A 100 3.018 -8.040 -10.468 1.00 0.00 C ATOM 1560 CG2 ILE A 100 4.190 -6.854 -8.605 1.00 0.00 C ATOM 1561 CD1 ILE A 100 1.893 -7.018 -10.646 1.00 0.00 C ATOM 0 H ILE A 100 4.482 -7.537 -12.556 1.00 0.00 H new ATOM 0 HA ILE A 100 3.770 -5.356 -10.759 1.00 0.00 H new ATOM 0 HB ILE A 100 5.149 -8.005 -10.153 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.176 -8.588 -11.397 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.741 -8.772 -9.709 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.032 -7.716 -7.957 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.108 -6.344 -8.312 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.348 -6.169 -8.509 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.977 -7.532 -10.938 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.729 -6.490 -9.707 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.170 -6.303 -11.421 1.00 0.00 H new ATOM 1573 N ARG A 101 6.935 -6.092 -11.291 1.00 0.00 N ATOM 1574 CA ARG A 101 8.313 -5.571 -11.067 1.00 0.00 C ATOM 1575 C ARG A 101 8.527 -4.297 -11.889 1.00 0.00 C ATOM 1576 O ARG A 101 9.267 -3.415 -11.501 1.00 0.00 O ATOM 1577 CB ARG A 101 9.330 -6.631 -11.496 1.00 0.00 C ATOM 1578 CG ARG A 101 10.699 -6.298 -10.899 1.00 0.00 C ATOM 1579 CD ARG A 101 11.357 -7.579 -10.386 1.00 0.00 C ATOM 1580 NE ARG A 101 12.835 -7.480 -10.548 1.00 0.00 N ATOM 1581 CZ ARG A 101 13.377 -7.668 -11.721 1.00 0.00 C ATOM 1582 NH1 ARG A 101 13.686 -8.875 -12.110 1.00 0.00 N ATOM 1583 NH2 ARG A 101 13.610 -6.651 -12.503 1.00 0.00 N ATOM 0 H ARG A 101 6.871 -6.894 -11.918 1.00 0.00 H new ATOM 0 HA ARG A 101 8.445 -5.341 -10.010 1.00 0.00 H new ATOM 0 HB2 ARG A 101 9.006 -7.617 -11.162 1.00 0.00 H new ATOM 0 HB3 ARG A 101 9.395 -6.668 -12.583 1.00 0.00 H new ATOM 0 HG2 ARG A 101 11.331 -5.828 -11.652 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.588 -5.582 -10.084 1.00 0.00 H new ATOM 0 HD2 ARG A 101 11.105 -7.734 -9.337 1.00 0.00 H new ATOM 0 HD3 ARG A 101 10.977 -8.440 -10.936 1.00 0.00 H new ATOM 0 HE ARG A 101 13.423 -7.265 -9.743 1.00 0.00 H new ATOM 0 HH11 ARG A 101 13.504 -9.670 -11.498 1.00 0.00 H new ATOM 0 HH12 ARG A 101 14.109 -9.023 -13.026 1.00 0.00 H new ATOM 0 HH21 ARG A 101 13.369 -5.708 -12.199 1.00 0.00 H new ATOM 0 HH22 ARG A 101 14.033 -6.799 -13.419 1.00 0.00 H new ATOM 1597 N ASP A 102 7.892 -4.196 -13.025 1.00 0.00 N ATOM 1598 CA ASP A 102 8.068 -2.980 -13.873 1.00 0.00 C ATOM 1599 C ASP A 102 7.665 -1.733 -13.082 1.00 0.00 C ATOM 1600 O ASP A 102 8.142 -0.645 -13.337 1.00 0.00 O ATOM 1601 CB ASP A 102 7.185 -3.095 -15.117 1.00 0.00 C ATOM 1602 CG ASP A 102 7.889 -3.959 -16.165 1.00 0.00 C ATOM 1603 OD1 ASP A 102 8.603 -4.867 -15.774 1.00 0.00 O ATOM 1604 OD2 ASP A 102 7.701 -3.696 -17.342 1.00 0.00 O ATOM 0 H ASP A 102 7.260 -4.901 -13.403 1.00 0.00 H new ATOM 0 HA ASP A 102 9.114 -2.898 -14.169 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.223 -3.535 -14.854 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.981 -2.105 -15.524 1.00 0.00 H new ATOM 1609 N ALA A 103 6.787 -1.879 -12.129 1.00 0.00 N ATOM 1610 CA ALA A 103 6.351 -0.698 -11.332 1.00 0.00 C ATOM 1611 C ALA A 103 7.523 -0.174 -10.499 1.00 0.00 C ATOM 1612 O ALA A 103 8.025 0.908 -10.730 1.00 0.00 O ATOM 1613 CB ALA A 103 5.209 -1.107 -10.400 1.00 0.00 C ATOM 0 H ALA A 103 6.353 -2.764 -11.868 1.00 0.00 H new ATOM 0 HA ALA A 103 6.010 0.086 -12.008 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.889 -0.244 -9.816 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.371 -1.476 -10.991 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.552 -1.893 -9.727 1.00 0.00 H new ATOM 1619 N LEU A 104 7.959 -0.928 -9.528 1.00 0.00 N ATOM 1620 CA LEU A 104 9.093 -0.470 -8.677 1.00 0.00 C ATOM 1621 C LEU A 104 10.281 -0.078 -9.558 1.00 0.00 C ATOM 1622 O LEU A 104 11.013 0.842 -9.253 1.00 0.00 O ATOM 1623 CB LEU A 104 9.507 -1.600 -7.734 1.00 0.00 C ATOM 1624 CG LEU A 104 8.423 -1.800 -6.673 1.00 0.00 C ATOM 1625 CD1 LEU A 104 8.671 -3.112 -5.929 1.00 0.00 C ATOM 1626 CD2 LEU A 104 8.462 -0.636 -5.680 1.00 0.00 C ATOM 0 H LEU A 104 7.578 -1.843 -9.287 1.00 0.00 H new ATOM 0 HA LEU A 104 8.779 0.397 -8.095 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.655 -2.522 -8.296 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.458 -1.361 -7.258 1.00 0.00 H new ATOM 0 HG LEU A 104 7.446 -1.836 -7.155 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.898 -3.253 -5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.644 -3.942 -6.635 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.648 -3.078 -5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.690 -0.777 -4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.439 -0.601 -5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.284 0.300 -6.209 1.00 0.00 H new ATOM 1638 N GLU A 105 10.481 -0.767 -10.648 1.00 0.00 N ATOM 1639 CA GLU A 105 11.624 -0.429 -11.541 1.00 0.00 C ATOM 1640 C GLU A 105 11.520 1.034 -11.977 1.00 0.00 C ATOM 1641 O GLU A 105 12.377 1.842 -11.684 1.00 0.00 O ATOM 1642 CB GLU A 105 11.594 -1.332 -12.775 1.00 0.00 C ATOM 1643 CG GLU A 105 12.912 -1.194 -13.541 1.00 0.00 C ATOM 1644 CD GLU A 105 12.631 -1.177 -15.044 1.00 0.00 C ATOM 1645 OE1 GLU A 105 11.813 -1.970 -15.483 1.00 0.00 O ATOM 1646 OE2 GLU A 105 13.238 -0.373 -15.731 1.00 0.00 O ATOM 0 H GLU A 105 9.903 -1.548 -10.958 1.00 0.00 H new ATOM 0 HA GLU A 105 12.559 -0.581 -11.003 1.00 0.00 H new ATOM 0 HB2 GLU A 105 11.442 -2.369 -12.476 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.757 -1.059 -13.418 1.00 0.00 H new ATOM 0 HG2 GLU A 105 13.422 -0.277 -13.246 1.00 0.00 H new ATOM 0 HG3 GLU A 105 13.576 -2.022 -13.294 1.00 0.00 H new ATOM 1653 N ASP A 106 10.475 1.379 -12.678 1.00 0.00 N ATOM 1654 CA ASP A 106 10.318 2.788 -13.134 1.00 0.00 C ATOM 1655 C ASP A 106 10.447 3.733 -11.936 1.00 0.00 C ATOM 1656 O ASP A 106 10.726 4.906 -12.087 1.00 0.00 O ATOM 1657 CB ASP A 106 8.940 2.964 -13.778 1.00 0.00 C ATOM 1658 CG ASP A 106 9.080 3.770 -15.071 1.00 0.00 C ATOM 1659 OD1 ASP A 106 9.440 3.181 -16.077 1.00 0.00 O ATOM 1660 OD2 ASP A 106 8.824 4.962 -15.034 1.00 0.00 O ATOM 0 H ASP A 106 9.724 0.746 -12.954 1.00 0.00 H new ATOM 0 HA ASP A 106 11.094 3.022 -13.863 1.00 0.00 H new ATOM 0 HB2 ASP A 106 8.499 1.990 -13.990 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.268 3.475 -13.089 1.00 0.00 H new ATOM 1665 N ALA A 107 10.245 3.232 -10.748 1.00 0.00 N ATOM 1666 CA ALA A 107 10.355 4.105 -9.544 1.00 0.00 C ATOM 1667 C ALA A 107 11.831 4.341 -9.214 1.00 0.00 C ATOM 1668 O ALA A 107 12.227 5.430 -8.849 1.00 0.00 O ATOM 1669 CB ALA A 107 9.671 3.426 -8.356 1.00 0.00 C ATOM 0 H ALA A 107 10.009 2.258 -10.559 1.00 0.00 H new ATOM 0 HA ALA A 107 9.871 5.061 -9.746 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.752 4.064 -7.476 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.619 3.259 -8.588 1.00 0.00 H new ATOM 0 HB3 ALA A 107 10.154 2.470 -8.156 1.00 0.00 H new ATOM 1675 N LEU A 108 12.648 3.331 -9.339 1.00 0.00 N ATOM 1676 CA LEU A 108 14.096 3.500 -9.029 1.00 0.00 C ATOM 1677 C LEU A 108 14.666 4.664 -9.844 1.00 0.00 C ATOM 1678 O LEU A 108 15.330 5.535 -9.318 1.00 0.00 O ATOM 1679 CB LEU A 108 14.845 2.215 -9.380 1.00 0.00 C ATOM 1680 CG LEU A 108 15.335 1.544 -8.096 1.00 0.00 C ATOM 1681 CD1 LEU A 108 15.946 0.182 -8.431 1.00 0.00 C ATOM 1682 CD2 LEU A 108 16.394 2.428 -7.432 1.00 0.00 C ATOM 0 H LEU A 108 12.375 2.396 -9.642 1.00 0.00 H new ATOM 0 HA LEU A 108 14.216 3.712 -7.967 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.191 1.538 -9.930 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.690 2.440 -10.031 1.00 0.00 H new ATOM 0 HG LEU A 108 14.495 1.407 -7.415 1.00 0.00 H new ATOM 0 HD11 LEU A 108 16.295 -0.295 -7.515 1.00 0.00 H new ATOM 0 HD12 LEU A 108 15.193 -0.448 -8.905 1.00 0.00 H new ATOM 0 HD13 LEU A 108 16.786 0.318 -9.112 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.744 1.951 -6.517 1.00 0.00 H new ATOM 0 HD22 LEU A 108 17.233 2.565 -8.114 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.959 3.398 -7.192 1.00 0.00 H new