USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 523 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 SER OG : rot 63:sc= 0.477 USER MOD Set 1.2: A 60 SER OG : rot 180:sc= 0.133 USER MOD Set 2.1: A 39 THR OG1 : rot 180:sc=0.000636 USER MOD Set 2.2: A 69 THR OG1 : rot -136:sc= 0 USER MOD Single : A 14 THR OG1 : rot 42:sc= -2.53! USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 100:sc= -2.67! USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 36 TYR OH : rot 2:sc= -0.471! USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 63 LYS NZ :NH3+ -126:sc= -1.02 (180deg=-1.7) USER MOD Single : A 68 TYR OH : rot 165:sc= -0.0344 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.914 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -1.47 K(o=-1.5,f=-7.1!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.242 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 8 8.927 3.163 -5.744 1.00 0.00 N ATOM 109 CA LEU A 8 8.235 1.847 -5.743 1.00 0.00 C ATOM 110 C LEU A 8 9.224 0.733 -5.429 1.00 0.00 C ATOM 111 O LEU A 8 10.209 0.567 -6.123 1.00 0.00 O ATOM 112 CB LEU A 8 7.642 1.597 -7.142 1.00 0.00 C ATOM 113 CG LEU A 8 6.862 2.835 -7.599 1.00 0.00 C ATOM 114 CD1 LEU A 8 7.527 3.416 -8.847 1.00 0.00 C ATOM 115 CD2 LEU A 8 5.428 2.428 -7.937 1.00 0.00 C ATOM 0 HA LEU A 8 7.450 1.857 -4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.439 1.375 -7.851 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.984 0.728 -7.119 1.00 0.00 H new ATOM 0 HG LEU A 8 6.856 3.581 -6.804 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.976 4.297 -9.176 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.554 3.696 -8.615 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.525 2.669 -9.641 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.868 3.305 -8.263 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.439 1.687 -8.736 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.953 2.002 -7.053 1.00 0.00 H new ATOM 127 N GLU A 9 8.954 -0.018 -4.393 1.00 0.00 N ATOM 128 CA GLU A 9 9.887 -1.116 -4.046 1.00 0.00 C ATOM 129 C GLU A 9 9.207 -2.197 -3.207 1.00 0.00 C ATOM 130 O GLU A 9 8.191 -1.961 -2.568 1.00 0.00 O ATOM 131 CB GLU A 9 11.047 -0.517 -3.225 1.00 0.00 C ATOM 132 CG GLU A 9 12.384 -0.914 -3.865 1.00 0.00 C ATOM 133 CD GLU A 9 12.582 -0.116 -5.156 1.00 0.00 C ATOM 134 OE1 GLU A 9 12.294 1.068 -5.110 1.00 0.00 O ATOM 135 OE2 GLU A 9 13.012 -0.737 -6.115 1.00 0.00 O ATOM 0 H GLU A 9 8.141 0.083 -3.785 1.00 0.00 H new ATOM 0 HA GLU A 9 10.238 -1.576 -4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.958 0.569 -3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.003 -0.876 -2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.204 -0.719 -3.174 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.395 -1.983 -4.079 1.00 0.00 H new ATOM 142 N VAL A 10 9.788 -3.370 -3.233 1.00 0.00 N ATOM 143 CA VAL A 10 9.224 -4.502 -2.457 1.00 0.00 C ATOM 144 C VAL A 10 9.901 -4.572 -1.087 1.00 0.00 C ATOM 145 O VAL A 10 11.088 -4.817 -1.000 1.00 0.00 O ATOM 146 CB VAL A 10 9.527 -5.801 -3.224 1.00 0.00 C ATOM 147 CG1 VAL A 10 9.357 -6.996 -2.283 1.00 0.00 C ATOM 148 CG2 VAL A 10 8.547 -5.937 -4.394 1.00 0.00 C ATOM 0 H VAL A 10 10.632 -3.587 -3.762 1.00 0.00 H new ATOM 0 HA VAL A 10 8.150 -4.368 -2.324 1.00 0.00 H new ATOM 0 HB VAL A 10 10.549 -5.774 -3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.571 -7.918 -2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.046 -6.899 -1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.333 -7.023 -1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.758 -6.856 -4.940 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.527 -5.968 -4.012 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.658 -5.084 -5.063 1.00 0.00 H new ATOM 158 N VAL A 11 9.146 -4.353 -0.040 1.00 0.00 N ATOM 159 CA VAL A 11 9.764 -4.408 1.316 1.00 0.00 C ATOM 160 C VAL A 11 10.128 -5.832 1.696 1.00 0.00 C ATOM 161 O VAL A 11 11.289 -6.176 1.796 1.00 0.00 O ATOM 162 CB VAL A 11 8.759 -3.855 2.343 1.00 0.00 C ATOM 163 CG1 VAL A 11 9.517 -3.381 3.583 1.00 0.00 C ATOM 164 CG2 VAL A 11 8.016 -2.674 1.732 1.00 0.00 C ATOM 0 H VAL A 11 8.148 -4.143 -0.064 1.00 0.00 H new ATOM 0 HA VAL A 11 10.676 -3.811 1.307 1.00 0.00 H new ATOM 0 HB VAL A 11 8.049 -4.635 2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.810 -2.988 4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.062 -4.219 4.019 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.221 -2.598 3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.303 -2.279 2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.729 -1.895 1.463 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.483 -3.002 0.839 1.00 0.00 H new ATOM 174 N ALA A 12 9.136 -6.624 1.906 1.00 0.00 N ATOM 175 CA ALA A 12 9.390 -8.033 2.283 1.00 0.00 C ATOM 176 C ALA A 12 8.253 -8.926 1.807 1.00 0.00 C ATOM 177 O ALA A 12 7.261 -8.446 1.287 1.00 0.00 O ATOM 178 CB ALA A 12 9.480 -8.115 3.816 1.00 0.00 C ATOM 0 H ALA A 12 8.153 -6.361 1.834 1.00 0.00 H new ATOM 0 HA ALA A 12 10.318 -8.369 1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.667 -9.146 4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.295 -7.482 4.167 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.542 -7.775 4.254 1.00 0.00 H new ATOM 184 N ALA A 13 8.417 -10.211 1.991 1.00 0.00 N ATOM 185 CA ALA A 13 7.354 -11.151 1.555 1.00 0.00 C ATOM 186 C ALA A 13 7.171 -12.277 2.564 1.00 0.00 C ATOM 187 O ALA A 13 8.023 -12.516 3.399 1.00 0.00 O ATOM 188 CB ALA A 13 7.768 -11.758 0.205 1.00 0.00 C ATOM 0 H ALA A 13 9.235 -10.642 2.421 1.00 0.00 H new ATOM 0 HA ALA A 13 6.414 -10.606 1.470 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.999 -12.453 -0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.887 -10.962 -0.531 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.712 -12.290 0.320 1.00 0.00 H new ATOM 194 N THR A 14 6.052 -12.947 2.462 1.00 0.00 N ATOM 195 CA THR A 14 5.762 -14.067 3.391 1.00 0.00 C ATOM 196 C THR A 14 5.210 -15.265 2.603 1.00 0.00 C ATOM 197 O THR A 14 4.750 -15.108 1.489 1.00 0.00 O ATOM 198 CB THR A 14 4.689 -13.584 4.382 1.00 0.00 C ATOM 199 OG1 THR A 14 4.167 -12.402 3.806 1.00 0.00 O ATOM 200 CG2 THR A 14 5.322 -13.116 5.704 1.00 0.00 C ATOM 0 H THR A 14 5.326 -12.761 1.770 1.00 0.00 H new ATOM 0 HA THR A 14 6.669 -14.372 3.912 1.00 0.00 H new ATOM 0 HB THR A 14 3.972 -14.384 4.568 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.051 -12.532 2.842 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.539 -12.781 6.384 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.868 -13.943 6.159 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.009 -12.293 5.507 1.00 0.00 H new ATOM 208 N PRO A 15 5.260 -16.452 3.196 1.00 0.00 N ATOM 209 CA PRO A 15 4.760 -17.644 2.526 1.00 0.00 C ATOM 210 C PRO A 15 3.348 -17.418 1.992 1.00 0.00 C ATOM 211 O PRO A 15 2.856 -18.182 1.186 1.00 0.00 O ATOM 212 CB PRO A 15 4.752 -18.739 3.618 1.00 0.00 C ATOM 213 CG PRO A 15 5.412 -18.124 4.892 1.00 0.00 C ATOM 214 CD PRO A 15 5.787 -16.671 4.552 1.00 0.00 C ATOM 0 HA PRO A 15 5.376 -17.916 1.669 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.733 -19.063 3.831 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.303 -19.618 3.285 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.723 -18.156 5.736 1.00 0.00 H new ATOM 0 HG3 PRO A 15 6.296 -18.693 5.180 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.348 -15.973 5.264 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.866 -16.523 4.585 1.00 0.00 H new ATOM 222 N THR A 16 2.723 -16.363 2.455 1.00 0.00 N ATOM 223 CA THR A 16 1.344 -16.062 1.988 1.00 0.00 C ATOM 224 C THR A 16 1.012 -14.588 2.202 1.00 0.00 C ATOM 225 O THR A 16 -0.008 -14.258 2.773 1.00 0.00 O ATOM 226 CB THR A 16 0.346 -16.908 2.798 1.00 0.00 C ATOM 227 OG1 THR A 16 0.786 -16.828 4.136 1.00 0.00 O ATOM 228 CG2 THR A 16 0.463 -18.401 2.439 1.00 0.00 C ATOM 0 H THR A 16 3.109 -15.704 3.131 1.00 0.00 H new ATOM 0 HA THR A 16 1.277 -16.294 0.925 1.00 0.00 H new ATOM 0 HB THR A 16 -0.668 -16.553 2.613 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.186 -17.349 4.709 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.254 -18.974 3.027 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.254 -18.538 1.378 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.472 -18.750 2.658 1.00 0.00 H new ATOM 236 N SER A 17 1.882 -13.722 1.744 1.00 0.00 N ATOM 237 CA SER A 17 1.616 -12.271 1.920 1.00 0.00 C ATOM 238 C SER A 17 2.731 -11.422 1.315 1.00 0.00 C ATOM 239 O SER A 17 3.891 -11.777 1.381 1.00 0.00 O ATOM 240 CB SER A 17 1.529 -11.976 3.423 1.00 0.00 C ATOM 241 OG SER A 17 0.169 -11.624 3.630 1.00 0.00 O ATOM 0 H SER A 17 2.751 -13.957 1.264 1.00 0.00 H new ATOM 0 HA SER A 17 0.684 -12.022 1.412 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.810 -12.846 4.017 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.198 -11.165 3.709 1.00 0.00 H new ATOM 0 HG SER A 17 -0.404 -12.389 3.414 1.00 0.00 H new ATOM 247 N LEU A 18 2.344 -10.308 0.738 1.00 0.00 N ATOM 248 CA LEU A 18 3.344 -9.400 0.114 1.00 0.00 C ATOM 249 C LEU A 18 3.130 -7.970 0.601 1.00 0.00 C ATOM 250 O LEU A 18 2.006 -7.533 0.762 1.00 0.00 O ATOM 251 CB LEU A 18 3.141 -9.456 -1.422 1.00 0.00 C ATOM 252 CG LEU A 18 4.076 -8.455 -2.120 1.00 0.00 C ATOM 253 CD1 LEU A 18 5.527 -8.781 -1.768 1.00 0.00 C ATOM 254 CD2 LEU A 18 3.894 -8.575 -3.634 1.00 0.00 C ATOM 0 H LEU A 18 1.376 -9.993 0.675 1.00 0.00 H new ATOM 0 HA LEU A 18 4.353 -9.711 0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.340 -10.464 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.104 -9.227 -1.667 1.00 0.00 H new ATOM 0 HG LEU A 18 3.837 -7.443 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.190 -8.071 -2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.664 -8.713 -0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.764 -9.792 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.554 -7.868 -4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.139 -9.589 -3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.859 -8.354 -3.895 1.00 0.00 H new ATOM 266 N LEU A 19 4.219 -7.274 0.837 1.00 0.00 N ATOM 267 CA LEU A 19 4.115 -5.862 1.317 1.00 0.00 C ATOM 268 C LEU A 19 4.744 -4.910 0.308 1.00 0.00 C ATOM 269 O LEU A 19 5.950 -4.888 0.143 1.00 0.00 O ATOM 270 CB LEU A 19 4.883 -5.757 2.657 1.00 0.00 C ATOM 271 CG LEU A 19 4.240 -4.692 3.574 1.00 0.00 C ATOM 272 CD1 LEU A 19 4.214 -3.335 2.855 1.00 0.00 C ATOM 273 CD2 LEU A 19 2.808 -5.115 3.945 1.00 0.00 C ATOM 0 H LEU A 19 5.170 -7.623 0.718 1.00 0.00 H new ATOM 0 HA LEU A 19 3.066 -5.592 1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.882 -6.725 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.924 -5.498 2.466 1.00 0.00 H new ATOM 0 HG LEU A 19 4.831 -4.603 4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.760 -2.587 3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.232 -3.033 2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.631 -3.420 1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.361 -4.359 4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.212 -5.215 3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.835 -6.071 4.469 1.00 0.00 H new ATOM 285 N ILE A 20 3.905 -4.132 -0.345 1.00 0.00 N ATOM 286 CA ILE A 20 4.426 -3.167 -1.354 1.00 0.00 C ATOM 287 C ILE A 20 4.365 -1.743 -0.824 1.00 0.00 C ATOM 288 O ILE A 20 3.482 -1.397 -0.058 1.00 0.00 O ATOM 289 CB ILE A 20 3.562 -3.270 -2.624 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.157 -2.726 -2.367 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.447 -4.753 -3.011 1.00 0.00 C ATOM 292 CD1 ILE A 20 2.031 -1.335 -3.005 1.00 0.00 C ATOM 0 H ILE A 20 2.893 -4.128 -0.219 1.00 0.00 H new ATOM 0 HA ILE A 20 5.466 -3.410 -1.573 1.00 0.00 H new ATOM 0 HB ILE A 20 4.027 -2.688 -3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.410 -3.401 -2.786 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.967 -2.667 -1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.838 -4.848 -3.910 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.441 -5.157 -3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.980 -5.307 -2.196 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.031 -0.941 -2.825 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.769 -0.665 -2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.204 -1.410 -4.079 1.00 0.00 H new ATOM 304 N SER A 21 5.312 -0.939 -1.226 1.00 0.00 N ATOM 305 CA SER A 21 5.320 0.463 -0.753 1.00 0.00 C ATOM 306 C SER A 21 5.841 1.389 -1.836 1.00 0.00 C ATOM 307 O SER A 21 6.814 1.086 -2.498 1.00 0.00 O ATOM 308 CB SER A 21 6.237 0.560 0.472 1.00 0.00 C ATOM 309 OG SER A 21 6.958 -0.658 0.458 1.00 0.00 O ATOM 0 H SER A 21 6.072 -1.195 -1.856 1.00 0.00 H new ATOM 0 HA SER A 21 4.303 0.761 -0.498 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.904 1.419 0.404 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.663 0.674 1.392 1.00 0.00 H new ATOM 0 HG SER A 21 7.847 -0.508 0.073 1.00 0.00 H new ATOM 315 N TRP A 22 5.179 2.506 -1.997 1.00 0.00 N ATOM 316 CA TRP A 22 5.613 3.471 -3.029 1.00 0.00 C ATOM 317 C TRP A 22 5.538 4.902 -2.491 1.00 0.00 C ATOM 318 O TRP A 22 5.812 5.129 -1.327 1.00 0.00 O ATOM 319 CB TRP A 22 4.715 3.284 -4.288 1.00 0.00 C ATOM 320 CG TRP A 22 3.371 4.008 -4.145 1.00 0.00 C ATOM 321 CD1 TRP A 22 3.077 5.124 -4.784 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.350 3.591 -3.417 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.813 5.386 -4.411 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.276 4.459 -3.539 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.219 2.461 -2.619 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.096 4.208 -2.873 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.033 2.214 -1.953 1.00 0.00 C ATOM 328 CH2 TRP A 22 -0.026 3.087 -2.081 1.00 0.00 C ATOM 0 H TRP A 22 4.360 2.784 -1.456 1.00 0.00 H new ATOM 0 HA TRP A 22 6.652 3.288 -3.302 1.00 0.00 H new ATOM 0 HB2 TRP A 22 5.239 3.661 -5.167 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.539 2.221 -4.454 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.706 5.694 -5.452 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.295 6.199 -4.743 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.046 1.774 -2.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.735 4.891 -2.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 0.936 1.336 -1.332 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.952 2.892 -1.560 1.00 0.00 H new ATOM 415 N VAL A 29 -3.854 15.174 -4.412 1.00 0.00 N ATOM 416 CA VAL A 29 -4.273 14.150 -5.402 1.00 0.00 C ATOM 417 C VAL A 29 -5.657 13.619 -5.058 1.00 0.00 C ATOM 418 O VAL A 29 -6.015 13.528 -3.903 1.00 0.00 O ATOM 419 CB VAL A 29 -3.273 12.989 -5.336 1.00 0.00 C ATOM 420 CG1 VAL A 29 -3.447 12.099 -6.569 1.00 0.00 C ATOM 421 CG2 VAL A 29 -1.851 13.550 -5.311 1.00 0.00 C ATOM 0 HA VAL A 29 -4.299 14.593 -6.398 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.451 12.402 -4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.737 11.273 -6.525 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.463 11.704 -6.592 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.265 12.685 -7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.136 12.728 -5.264 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.674 14.134 -6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.727 14.189 -4.437 1.00 0.00 H new ATOM 431 N ARG A 30 -6.412 13.272 -6.063 1.00 0.00 N ATOM 432 CA ARG A 30 -7.769 12.747 -5.789 1.00 0.00 C ATOM 433 C ARG A 30 -7.690 11.337 -5.221 1.00 0.00 C ATOM 434 O ARG A 30 -7.972 11.122 -4.060 1.00 0.00 O ATOM 435 CB ARG A 30 -8.564 12.724 -7.104 1.00 0.00 C ATOM 436 CG ARG A 30 -8.994 14.153 -7.452 1.00 0.00 C ATOM 437 CD ARG A 30 -10.264 14.524 -6.664 1.00 0.00 C ATOM 438 NE ARG A 30 -10.128 15.926 -6.165 1.00 0.00 N ATOM 439 CZ ARG A 30 -10.884 16.336 -5.181 1.00 0.00 C ATOM 440 NH1 ARG A 30 -12.181 16.244 -5.301 1.00 0.00 N ATOM 441 NH2 ARG A 30 -10.317 16.830 -4.115 1.00 0.00 N ATOM 0 H ARG A 30 -6.149 13.329 -7.047 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.262 13.389 -5.059 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.953 12.309 -7.906 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.439 12.081 -7.004 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.191 14.852 -7.215 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.183 14.235 -8.522 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.144 14.434 -7.301 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.404 13.838 -5.829 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.450 16.559 -6.589 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.588 15.857 -6.152 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.787 16.559 -4.543 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.300 16.891 -4.060 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.890 17.155 -3.337 1.00 0.00 H new ATOM 455 N TYR A 31 -7.310 10.393 -6.042 1.00 0.00 N ATOM 456 CA TYR A 31 -7.217 9.000 -5.531 1.00 0.00 C ATOM 457 C TYR A 31 -6.302 8.137 -6.388 1.00 0.00 C ATOM 458 O TYR A 31 -5.978 8.476 -7.517 1.00 0.00 O ATOM 459 CB TYR A 31 -8.619 8.362 -5.522 1.00 0.00 C ATOM 460 CG TYR A 31 -9.473 8.950 -6.649 1.00 0.00 C ATOM 461 CD1 TYR A 31 -9.222 8.618 -7.964 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.520 9.804 -6.364 1.00 0.00 C ATOM 463 CE1 TYR A 31 -10.003 9.131 -8.981 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.303 10.318 -7.380 1.00 0.00 C ATOM 465 CZ TYR A 31 -11.051 9.985 -8.696 1.00 0.00 C ATOM 466 OH TYR A 31 -11.831 10.499 -9.712 1.00 0.00 O ATOM 0 H TYR A 31 -7.065 10.524 -7.023 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.802 9.049 -4.524 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.536 7.282 -5.644 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.101 8.538 -4.560 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.407 7.950 -8.201 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.729 10.072 -5.339 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -9.793 8.863 -10.006 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.118 10.985 -7.143 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.522 11.080 -9.332 1.00 0.00 H new ATOM 476 N TYR A 32 -5.909 7.029 -5.816 1.00 0.00 N ATOM 477 CA TYR A 32 -5.014 6.086 -6.529 1.00 0.00 C ATOM 478 C TYR A 32 -5.691 4.727 -6.647 1.00 0.00 C ATOM 479 O TYR A 32 -6.519 4.382 -5.829 1.00 0.00 O ATOM 480 CB TYR A 32 -3.726 5.912 -5.694 1.00 0.00 C ATOM 481 CG TYR A 32 -2.586 6.749 -6.291 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.473 8.091 -5.991 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.630 6.162 -7.099 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.419 8.835 -6.486 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.575 6.908 -7.594 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.464 8.249 -7.289 1.00 0.00 C ATOM 487 OH TYR A 32 0.596 8.991 -7.765 1.00 0.00 O ATOM 0 H TYR A 32 -6.176 6.739 -4.875 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.788 6.474 -7.522 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.909 6.217 -4.664 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.440 4.861 -5.669 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.214 8.564 -5.364 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.707 5.113 -7.346 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.343 9.884 -6.242 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.166 6.438 -8.223 1.00 0.00 H new ATOM 0 HH TYR A 32 1.174 8.421 -8.314 1.00 0.00 H new ATOM 497 N ARG A 33 -5.336 3.985 -7.665 1.00 0.00 N ATOM 498 CA ARG A 33 -5.954 2.642 -7.850 1.00 0.00 C ATOM 499 C ARG A 33 -4.881 1.598 -8.092 1.00 0.00 C ATOM 500 O ARG A 33 -4.185 1.641 -9.087 1.00 0.00 O ATOM 501 CB ARG A 33 -6.887 2.685 -9.072 1.00 0.00 C ATOM 502 CG ARG A 33 -7.397 4.114 -9.271 1.00 0.00 C ATOM 503 CD ARG A 33 -8.592 4.089 -10.229 1.00 0.00 C ATOM 504 NE ARG A 33 -8.890 5.481 -10.672 1.00 0.00 N ATOM 505 CZ ARG A 33 -9.730 5.674 -11.652 1.00 0.00 C ATOM 506 NH1 ARG A 33 -11.008 5.719 -11.389 1.00 0.00 N ATOM 507 NH2 ARG A 33 -9.264 5.822 -12.862 1.00 0.00 N ATOM 0 H ARG A 33 -4.649 4.251 -8.371 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.513 2.381 -6.951 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.355 2.350 -9.962 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.726 2.004 -8.927 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.691 4.545 -8.314 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.604 4.744 -9.675 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.370 3.459 -11.091 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.462 3.657 -9.734 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.442 6.274 -10.214 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.336 5.604 -10.430 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.679 5.869 -12.143 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.258 5.786 -13.029 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.905 5.974 -13.640 1.00 0.00 H new ATOM 521 N ILE A 34 -4.768 0.676 -7.171 1.00 0.00 N ATOM 522 CA ILE A 34 -3.748 -0.390 -7.312 1.00 0.00 C ATOM 523 C ILE A 34 -4.407 -1.717 -7.672 1.00 0.00 C ATOM 524 O ILE A 34 -5.138 -2.283 -6.883 1.00 0.00 O ATOM 525 CB ILE A 34 -3.032 -0.531 -5.967 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.536 0.836 -5.509 1.00 0.00 C ATOM 527 CG2 ILE A 34 -1.811 -1.455 -6.141 1.00 0.00 C ATOM 528 CD1 ILE A 34 -3.492 1.395 -4.454 1.00 0.00 C ATOM 0 H ILE A 34 -5.341 0.620 -6.329 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.047 -0.129 -8.105 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.723 -0.945 -5.232 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.531 0.751 -5.096 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.476 1.517 -6.358 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.295 -1.560 -5.186 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.142 -2.435 -6.485 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.130 -1.024 -6.875 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.139 2.372 -4.125 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.489 1.494 -4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.530 0.717 -3.601 1.00 0.00 H new ATOM 540 N THR A 35 -4.131 -2.186 -8.867 1.00 0.00 N ATOM 541 CA THR A 35 -4.724 -3.478 -9.319 1.00 0.00 C ATOM 542 C THR A 35 -3.638 -4.485 -9.632 1.00 0.00 C ATOM 543 O THR A 35 -2.637 -4.145 -10.232 1.00 0.00 O ATOM 544 CB THR A 35 -5.520 -3.221 -10.604 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.591 -3.393 -11.655 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.946 -1.749 -10.704 1.00 0.00 C ATOM 0 H THR A 35 -3.522 -1.728 -9.545 1.00 0.00 H new ATOM 0 HA THR A 35 -5.360 -3.872 -8.527 1.00 0.00 H new ATOM 0 HB THR A 35 -6.394 -3.872 -10.632 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.038 -3.243 -12.514 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.509 -1.595 -11.625 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.572 -1.492 -9.849 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.060 -1.114 -10.709 1.00 0.00 H new ATOM 554 N TYR A 36 -3.850 -5.715 -9.219 1.00 0.00 N ATOM 555 CA TYR A 36 -2.830 -6.753 -9.492 1.00 0.00 C ATOM 556 C TYR A 36 -3.472 -8.042 -9.957 1.00 0.00 C ATOM 557 O TYR A 36 -4.641 -8.288 -9.709 1.00 0.00 O ATOM 558 CB TYR A 36 -2.051 -7.013 -8.200 1.00 0.00 C ATOM 559 CG TYR A 36 -2.949 -6.716 -7.003 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.072 -5.428 -6.529 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.642 -7.727 -6.377 1.00 0.00 C ATOM 562 CE1 TYR A 36 -3.873 -5.158 -5.444 1.00 0.00 C ATOM 563 CE2 TYR A 36 -4.444 -7.454 -5.290 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.565 -6.171 -4.817 1.00 0.00 C ATOM 565 OH TYR A 36 -5.375 -5.905 -3.740 1.00 0.00 O ATOM 0 H TYR A 36 -4.677 -6.032 -8.712 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.167 -6.401 -10.283 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.713 -8.049 -8.168 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.160 -6.386 -8.166 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.536 -4.625 -7.013 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.557 -8.741 -6.740 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.960 -4.145 -5.081 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.982 -8.256 -4.806 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.371 -4.942 -3.557 1.00 0.00 H new ATOM 575 N GLY A 37 -2.695 -8.837 -10.642 1.00 0.00 N ATOM 576 CA GLY A 37 -3.220 -10.128 -11.149 1.00 0.00 C ATOM 577 C GLY A 37 -2.175 -10.813 -12.028 1.00 0.00 C ATOM 578 O GLY A 37 -1.331 -10.164 -12.618 1.00 0.00 O ATOM 0 H GLY A 37 -1.720 -8.644 -10.870 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.483 -10.776 -10.313 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.132 -9.959 -11.721 1.00 0.00 H new ATOM 582 N GLU A 38 -2.248 -12.110 -12.091 1.00 0.00 N ATOM 583 CA GLU A 38 -1.283 -12.853 -12.913 1.00 0.00 C ATOM 584 C GLU A 38 -1.510 -12.564 -14.394 1.00 0.00 C ATOM 585 O GLU A 38 -2.570 -12.116 -14.786 1.00 0.00 O ATOM 586 CB GLU A 38 -1.514 -14.347 -12.658 1.00 0.00 C ATOM 587 CG GLU A 38 -0.683 -14.790 -11.450 1.00 0.00 C ATOM 588 CD GLU A 38 -1.423 -15.908 -10.707 1.00 0.00 C ATOM 589 OE1 GLU A 38 -2.521 -15.625 -10.256 1.00 0.00 O ATOM 590 OE2 GLU A 38 -0.848 -16.982 -10.633 1.00 0.00 O ATOM 0 H GLU A 38 -2.939 -12.681 -11.605 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.267 -12.556 -12.653 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.572 -14.537 -12.475 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.234 -14.925 -13.538 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.296 -15.141 -11.777 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.512 -13.945 -10.782 1.00 0.00 H new ATOM 597 N THR A 39 -0.513 -12.823 -15.191 1.00 0.00 N ATOM 598 CA THR A 39 -0.660 -12.567 -16.645 1.00 0.00 C ATOM 599 C THR A 39 -1.527 -13.635 -17.303 1.00 0.00 C ATOM 600 O THR A 39 -1.592 -14.757 -16.843 1.00 0.00 O ATOM 601 CB THR A 39 0.732 -12.600 -17.276 1.00 0.00 C ATOM 602 OG1 THR A 39 1.308 -11.348 -16.967 1.00 0.00 O ATOM 603 CG2 THR A 39 0.638 -12.617 -18.809 1.00 0.00 C ATOM 0 H THR A 39 0.390 -13.198 -14.900 1.00 0.00 H new ATOM 0 HA THR A 39 -1.138 -11.598 -16.792 1.00 0.00 H new ATOM 0 HB THR A 39 1.280 -13.472 -16.920 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.211 -11.302 -17.344 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.641 -12.640 -19.235 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.087 -13.501 -19.130 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.119 -11.722 -19.152 1.00 0.00 H new ATOM 664 N VAL A 45 -6.750 -10.889 -10.039 1.00 0.00 N ATOM 665 CA VAL A 45 -6.770 -11.209 -8.597 1.00 0.00 C ATOM 666 C VAL A 45 -7.676 -10.254 -7.846 1.00 0.00 C ATOM 667 O VAL A 45 -8.706 -10.643 -7.338 1.00 0.00 O ATOM 668 CB VAL A 45 -5.342 -11.084 -8.050 1.00 0.00 C ATOM 669 CG1 VAL A 45 -5.392 -10.883 -6.540 1.00 0.00 C ATOM 670 CG2 VAL A 45 -4.575 -12.363 -8.362 1.00 0.00 C ATOM 0 HA VAL A 45 -7.148 -12.222 -8.462 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.845 -10.232 -8.514 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.378 -10.794 -6.151 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.949 -9.974 -6.312 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.885 -11.737 -6.075 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.559 -12.281 -7.976 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.074 -13.210 -7.892 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.542 -12.514 -9.441 1.00 0.00 H new ATOM 680 N GLN A 46 -7.280 -9.018 -7.787 1.00 0.00 N ATOM 681 CA GLN A 46 -8.120 -8.021 -7.066 1.00 0.00 C ATOM 682 C GLN A 46 -7.554 -6.614 -7.206 1.00 0.00 C ATOM 683 O GLN A 46 -6.524 -6.414 -7.818 1.00 0.00 O ATOM 684 CB GLN A 46 -8.158 -8.390 -5.573 1.00 0.00 C ATOM 685 CG GLN A 46 -9.616 -8.466 -5.120 1.00 0.00 C ATOM 686 CD GLN A 46 -9.667 -8.726 -3.613 1.00 0.00 C ATOM 687 OE1 GLN A 46 -9.803 -9.850 -3.169 1.00 0.00 O ATOM 688 NE2 GLN A 46 -9.563 -7.718 -2.793 1.00 0.00 N ATOM 0 H GLN A 46 -6.421 -8.654 -8.201 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.120 -8.037 -7.499 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -7.661 -9.346 -5.408 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.619 -7.646 -4.987 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.131 -7.535 -5.357 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.134 -9.262 -5.655 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.449 -6.773 -3.159 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.596 -7.875 -1.786 1.00 0.00 H new ATOM 697 N GLU A 47 -8.241 -5.660 -6.631 1.00 0.00 N ATOM 698 CA GLU A 47 -7.756 -4.262 -6.724 1.00 0.00 C ATOM 699 C GLU A 47 -8.558 -3.331 -5.809 1.00 0.00 C ATOM 700 O GLU A 47 -9.721 -3.573 -5.548 1.00 0.00 O ATOM 701 CB GLU A 47 -7.963 -3.796 -8.171 1.00 0.00 C ATOM 702 CG GLU A 47 -9.460 -3.577 -8.417 1.00 0.00 C ATOM 703 CD GLU A 47 -9.774 -3.830 -9.894 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.519 -4.944 -10.318 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.252 -2.893 -10.513 1.00 0.00 O ATOM 0 H GLU A 47 -9.107 -5.792 -6.108 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.709 -4.229 -6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.413 -2.872 -8.351 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.573 -4.540 -8.865 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.045 -4.249 -7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.740 -2.560 -8.143 1.00 0.00 H new ATOM 712 N PHE A 48 -7.924 -2.283 -5.332 1.00 0.00 N ATOM 713 CA PHE A 48 -8.654 -1.337 -4.441 1.00 0.00 C ATOM 714 C PHE A 48 -8.167 0.089 -4.657 1.00 0.00 C ATOM 715 O PHE A 48 -7.131 0.310 -5.254 1.00 0.00 O ATOM 716 CB PHE A 48 -8.455 -1.721 -2.953 1.00 0.00 C ATOM 717 CG PHE A 48 -7.112 -2.428 -2.730 1.00 0.00 C ATOM 718 CD1 PHE A 48 -5.921 -1.843 -3.127 1.00 0.00 C ATOM 719 CD2 PHE A 48 -7.069 -3.648 -2.069 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.716 -2.464 -2.863 1.00 0.00 C ATOM 721 CE2 PHE A 48 -5.864 -4.260 -1.809 1.00 0.00 C ATOM 722 CZ PHE A 48 -4.690 -3.669 -2.206 1.00 0.00 C ATOM 0 H PHE A 48 -6.949 -2.049 -5.520 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.713 -1.398 -4.690 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.502 -0.824 -2.335 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -9.268 -2.372 -2.632 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.935 -0.896 -3.646 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.988 -4.121 -1.756 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.792 -2.000 -3.174 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.842 -5.208 -1.291 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.746 -4.152 -2.001 1.00 0.00 H new ATOM 732 N THR A 49 -8.939 1.036 -4.169 1.00 0.00 N ATOM 733 CA THR A 49 -8.555 2.469 -4.327 1.00 0.00 C ATOM 734 C THR A 49 -8.310 3.132 -2.977 1.00 0.00 C ATOM 735 O THR A 49 -8.814 2.693 -1.962 1.00 0.00 O ATOM 736 CB THR A 49 -9.706 3.201 -5.029 1.00 0.00 C ATOM 737 OG1 THR A 49 -10.841 2.987 -4.216 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.055 2.523 -6.365 1.00 0.00 C ATOM 0 H THR A 49 -9.814 0.874 -3.671 1.00 0.00 H new ATOM 0 HA THR A 49 -7.634 2.521 -4.908 1.00 0.00 H new ATOM 0 HB THR A 49 -9.433 4.244 -5.190 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.617 3.435 -4.613 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.874 3.061 -6.843 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.182 2.535 -7.018 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.356 1.492 -6.182 1.00 0.00 H new ATOM 746 N VAL A 50 -7.532 4.183 -2.996 1.00 0.00 N ATOM 747 CA VAL A 50 -7.231 4.903 -1.735 1.00 0.00 C ATOM 748 C VAL A 50 -7.078 6.422 -2.020 1.00 0.00 C ATOM 749 O VAL A 50 -6.696 6.798 -3.110 1.00 0.00 O ATOM 750 CB VAL A 50 -5.892 4.360 -1.195 1.00 0.00 C ATOM 751 CG1 VAL A 50 -5.942 2.831 -1.171 1.00 0.00 C ATOM 752 CG2 VAL A 50 -4.760 4.810 -2.119 1.00 0.00 C ATOM 0 H VAL A 50 -7.095 4.570 -3.833 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.035 4.755 -1.015 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.720 4.739 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.998 2.442 -0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.756 2.504 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.108 2.456 -2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.810 4.429 -1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.934 4.423 -3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.727 5.899 -2.151 1.00 0.00 H new ATOM 762 N PRO A 51 -7.379 7.281 -1.032 1.00 0.00 N ATOM 763 CA PRO A 51 -7.257 8.735 -1.226 1.00 0.00 C ATOM 764 C PRO A 51 -5.811 9.174 -1.504 1.00 0.00 C ATOM 765 O PRO A 51 -5.473 10.327 -1.322 1.00 0.00 O ATOM 766 CB PRO A 51 -7.716 9.354 0.112 1.00 0.00 C ATOM 767 CG PRO A 51 -8.008 8.183 1.094 1.00 0.00 C ATOM 768 CD PRO A 51 -7.876 6.875 0.299 1.00 0.00 C ATOM 0 HA PRO A 51 -7.847 9.052 -2.086 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.944 10.009 0.516 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.608 9.964 -0.034 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.307 8.198 1.928 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.008 8.276 1.516 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.184 6.187 0.785 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.835 6.362 0.222 1.00 0.00 H new ATOM 776 N GLY A 52 -4.988 8.260 -1.944 1.00 0.00 N ATOM 777 CA GLY A 52 -3.572 8.632 -2.230 1.00 0.00 C ATOM 778 C GLY A 52 -2.846 8.998 -0.927 1.00 0.00 C ATOM 779 O GLY A 52 -1.705 9.415 -0.945 1.00 0.00 O ATOM 0 H GLY A 52 -5.230 7.284 -2.116 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.062 7.802 -2.718 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.542 9.475 -2.921 1.00 0.00 H new ATOM 783 N SER A 53 -3.527 8.834 0.176 1.00 0.00 N ATOM 784 CA SER A 53 -2.897 9.166 1.480 1.00 0.00 C ATOM 785 C SER A 53 -2.012 8.022 1.959 1.00 0.00 C ATOM 786 O SER A 53 -0.896 8.234 2.388 1.00 0.00 O ATOM 787 CB SER A 53 -4.011 9.397 2.513 1.00 0.00 C ATOM 788 OG SER A 53 -3.822 10.742 2.932 1.00 0.00 O ATOM 0 H SER A 53 -4.485 8.487 0.228 1.00 0.00 H new ATOM 0 HA SER A 53 -2.282 10.058 1.362 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.998 9.251 2.074 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.929 8.703 3.350 1.00 0.00 H new ATOM 0 HG SER A 53 -4.501 10.975 3.599 1.00 0.00 H new ATOM 794 N LYS A 54 -2.526 6.825 1.876 1.00 0.00 N ATOM 795 CA LYS A 54 -1.726 5.661 2.323 1.00 0.00 C ATOM 796 C LYS A 54 -0.654 5.322 1.297 1.00 0.00 C ATOM 797 O LYS A 54 -0.945 4.809 0.235 1.00 0.00 O ATOM 798 CB LYS A 54 -2.671 4.456 2.479 1.00 0.00 C ATOM 799 CG LYS A 54 -2.248 3.638 3.702 1.00 0.00 C ATOM 800 CD LYS A 54 -2.820 4.289 4.968 1.00 0.00 C ATOM 801 CE LYS A 54 -4.225 3.744 5.230 1.00 0.00 C ATOM 802 NZ LYS A 54 -4.160 2.529 6.088 1.00 0.00 N ATOM 0 H LYS A 54 -3.457 6.609 1.521 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.240 5.899 3.269 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.700 4.798 2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.639 3.836 1.583 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.608 2.613 3.611 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.161 3.589 3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.173 4.082 5.821 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.854 5.372 4.849 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.833 4.507 5.715 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.711 3.503 4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.122 2.171 6.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.597 1.797 5.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.716 2.769 6.997 1.00 0.00 H new ATOM 816 N SER A 55 0.574 5.619 1.632 1.00 0.00 N ATOM 817 CA SER A 55 1.679 5.323 0.691 1.00 0.00 C ATOM 818 C SER A 55 2.119 3.870 0.808 1.00 0.00 C ATOM 819 O SER A 55 3.166 3.496 0.317 1.00 0.00 O ATOM 820 CB SER A 55 2.868 6.231 1.044 1.00 0.00 C ATOM 821 OG SER A 55 2.320 7.541 1.029 1.00 0.00 O ATOM 0 H SER A 55 0.853 6.051 2.513 1.00 0.00 H new ATOM 0 HA SER A 55 1.336 5.500 -0.328 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.282 5.983 2.021 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.676 6.129 0.320 1.00 0.00 H new ATOM 0 HG SER A 55 3.020 8.191 1.248 1.00 0.00 H new ATOM 827 N THR A 56 1.308 3.076 1.459 1.00 0.00 N ATOM 828 CA THR A 56 1.653 1.636 1.625 1.00 0.00 C ATOM 829 C THR A 56 0.420 0.762 1.427 1.00 0.00 C ATOM 830 O THR A 56 -0.694 1.246 1.469 1.00 0.00 O ATOM 831 CB THR A 56 2.173 1.423 3.051 1.00 0.00 C ATOM 832 OG1 THR A 56 1.413 2.299 3.859 1.00 0.00 O ATOM 833 CG2 THR A 56 3.620 1.921 3.194 1.00 0.00 C ATOM 0 H THR A 56 0.425 3.363 1.881 1.00 0.00 H new ATOM 0 HA THR A 56 2.406 1.363 0.885 1.00 0.00 H new ATOM 0 HB THR A 56 2.110 0.366 3.310 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.696 2.211 4.793 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.962 1.757 4.216 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.263 1.374 2.504 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.663 2.986 2.964 1.00 0.00 H new ATOM 841 N ALA A 57 0.636 -0.512 1.213 1.00 0.00 N ATOM 842 CA ALA A 57 -0.527 -1.419 1.014 1.00 0.00 C ATOM 843 C ALA A 57 -0.137 -2.884 1.207 1.00 0.00 C ATOM 844 O ALA A 57 0.922 -3.314 0.776 1.00 0.00 O ATOM 845 CB ALA A 57 -1.048 -1.233 -0.419 1.00 0.00 C ATOM 0 H ALA A 57 1.554 -0.955 1.168 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.291 -1.169 1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.902 -1.890 -0.584 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.355 -0.197 -0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.258 -1.479 -1.128 1.00 0.00 H new ATOM 851 N THR A 58 -1.012 -3.622 1.855 1.00 0.00 N ATOM 852 CA THR A 58 -0.739 -5.067 2.101 1.00 0.00 C ATOM 853 C THR A 58 -1.669 -5.940 1.262 1.00 0.00 C ATOM 854 O THR A 58 -2.860 -5.699 1.201 1.00 0.00 O ATOM 855 CB THR A 58 -1.003 -5.358 3.584 1.00 0.00 C ATOM 856 OG1 THR A 58 -0.099 -4.537 4.294 1.00 0.00 O ATOM 857 CG2 THR A 58 -0.590 -6.794 3.942 1.00 0.00 C ATOM 0 H THR A 58 -1.901 -3.281 2.221 1.00 0.00 H new ATOM 0 HA THR A 58 0.293 -5.289 1.831 1.00 0.00 H new ATOM 0 HB THR A 58 -2.057 -5.198 3.809 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.219 -4.675 5.257 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.787 -6.976 4.998 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.163 -7.498 3.339 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.473 -6.927 3.743 1.00 0.00 H new ATOM 865 N ILE A 59 -1.105 -6.944 0.630 1.00 0.00 N ATOM 866 CA ILE A 59 -1.927 -7.850 -0.214 1.00 0.00 C ATOM 867 C ILE A 59 -1.613 -9.316 0.088 1.00 0.00 C ATOM 868 O ILE A 59 -0.533 -9.640 0.542 1.00 0.00 O ATOM 869 CB ILE A 59 -1.573 -7.540 -1.679 1.00 0.00 C ATOM 870 CG1 ILE A 59 -1.734 -8.795 -2.570 1.00 0.00 C ATOM 871 CG2 ILE A 59 -0.103 -7.087 -1.717 1.00 0.00 C ATOM 872 CD1 ILE A 59 -1.667 -8.407 -4.060 1.00 0.00 C ATOM 0 H ILE A 59 -0.111 -7.169 0.667 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.987 -7.692 -0.014 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.242 -6.767 -2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.949 -9.516 -2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.686 -9.281 -2.356 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.181 -6.859 -2.744 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.019 -6.197 -1.100 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.533 -7.884 -1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.782 -9.300 -4.674 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.468 -7.704 -4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.704 -7.942 -4.272 1.00 0.00 H new ATOM 884 N SER A 60 -2.573 -10.173 -0.172 1.00 0.00 N ATOM 885 CA SER A 60 -2.365 -11.624 0.085 1.00 0.00 C ATOM 886 C SER A 60 -2.902 -12.457 -1.080 1.00 0.00 C ATOM 887 O SER A 60 -3.207 -11.928 -2.130 1.00 0.00 O ATOM 888 CB SER A 60 -3.124 -12.005 1.362 1.00 0.00 C ATOM 889 OG SER A 60 -2.416 -13.130 1.862 1.00 0.00 O ATOM 0 H SER A 60 -3.487 -9.926 -0.550 1.00 0.00 H new ATOM 0 HA SER A 60 -1.299 -11.821 0.195 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.131 -11.186 2.081 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.164 -12.251 1.149 1.00 0.00 H new ATOM 0 HG SER A 60 -2.839 -13.441 2.690 1.00 0.00 H new ATOM 895 N GLY A 61 -3.005 -13.746 -0.877 1.00 0.00 N ATOM 896 CA GLY A 61 -3.522 -14.620 -1.973 1.00 0.00 C ATOM 897 C GLY A 61 -2.549 -14.606 -3.151 1.00 0.00 C ATOM 898 O GLY A 61 -2.813 -13.998 -4.170 1.00 0.00 O ATOM 0 H GLY A 61 -2.757 -14.226 -0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.650 -15.639 -1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.503 -14.271 -2.296 1.00 0.00 H new ATOM 902 N LEU A 62 -1.440 -15.283 -2.978 1.00 0.00 N ATOM 903 CA LEU A 62 -0.422 -15.334 -4.060 1.00 0.00 C ATOM 904 C LEU A 62 -0.050 -16.769 -4.402 1.00 0.00 C ATOM 905 O LEU A 62 -0.530 -17.706 -3.792 1.00 0.00 O ATOM 906 CB LEU A 62 0.863 -14.628 -3.567 1.00 0.00 C ATOM 907 CG LEU A 62 0.512 -13.372 -2.754 1.00 0.00 C ATOM 908 CD1 LEU A 62 1.807 -12.740 -2.247 1.00 0.00 C ATOM 909 CD2 LEU A 62 -0.215 -12.365 -3.646 1.00 0.00 C ATOM 0 H LEU A 62 -1.201 -15.801 -2.132 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.841 -14.849 -4.942 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.448 -15.313 -2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.484 -14.354 -4.420 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.132 -13.645 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.573 -11.847 -1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.337 -13.453 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.436 -12.468 -3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.462 -11.476 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.429 -12.086 -4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.131 -12.814 -4.030 1.00 0.00 H new ATOM 921 N LYS A 63 0.805 -16.898 -5.381 1.00 0.00 N ATOM 922 CA LYS A 63 1.259 -18.240 -5.818 1.00 0.00 C ATOM 923 C LYS A 63 2.808 -18.307 -5.651 1.00 0.00 C ATOM 924 O LYS A 63 3.499 -17.432 -6.132 1.00 0.00 O ATOM 925 CB LYS A 63 0.906 -18.374 -7.326 1.00 0.00 C ATOM 926 CG LYS A 63 0.291 -19.767 -7.646 1.00 0.00 C ATOM 927 CD LYS A 63 -1.249 -19.682 -7.660 1.00 0.00 C ATOM 928 CE LYS A 63 -1.762 -19.446 -6.238 1.00 0.00 C ATOM 929 NZ LYS A 63 -1.302 -20.535 -5.329 1.00 0.00 N ATOM 0 H LYS A 63 1.210 -16.119 -5.899 1.00 0.00 H new ATOM 0 HA LYS A 63 0.789 -19.033 -5.237 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.202 -17.591 -7.607 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.804 -18.225 -7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.651 -20.118 -8.613 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.615 -20.495 -6.902 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.573 -18.872 -8.314 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.671 -20.603 -8.062 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.405 -18.483 -5.872 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.851 -19.402 -6.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.122 -20.952 -4.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.818 -21.269 -5.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.645 -20.144 -4.624 1.00 0.00 H new ATOM 943 N PRO A 64 3.343 -19.335 -4.972 1.00 0.00 N ATOM 944 CA PRO A 64 4.793 -19.430 -4.792 1.00 0.00 C ATOM 945 C PRO A 64 5.566 -19.356 -6.118 1.00 0.00 C ATOM 946 O PRO A 64 5.695 -20.336 -6.827 1.00 0.00 O ATOM 947 CB PRO A 64 5.026 -20.802 -4.116 1.00 0.00 C ATOM 948 CG PRO A 64 3.628 -21.407 -3.798 1.00 0.00 C ATOM 949 CD PRO A 64 2.571 -20.444 -4.366 1.00 0.00 C ATOM 0 HA PRO A 64 5.158 -18.592 -4.198 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.590 -21.463 -4.774 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.611 -20.686 -3.203 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.527 -22.396 -4.246 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.498 -21.529 -2.723 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.945 -20.940 -5.108 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.908 -20.080 -3.581 1.00 0.00 H new ATOM 957 N GLY A 65 6.059 -18.177 -6.426 1.00 0.00 N ATOM 958 CA GLY A 65 6.832 -18.000 -7.694 1.00 0.00 C ATOM 959 C GLY A 65 5.917 -17.899 -8.918 1.00 0.00 C ATOM 960 O GLY A 65 5.479 -18.899 -9.451 1.00 0.00 O ATOM 0 H GLY A 65 5.959 -17.337 -5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.442 -17.100 -7.623 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.516 -18.839 -7.821 1.00 0.00 H new ATOM 964 N VAL A 66 5.641 -16.686 -9.338 1.00 0.00 N ATOM 965 CA VAL A 66 4.763 -16.510 -10.523 1.00 0.00 C ATOM 966 C VAL A 66 4.809 -15.075 -11.051 1.00 0.00 C ATOM 967 O VAL A 66 4.814 -14.126 -10.293 1.00 0.00 O ATOM 968 CB VAL A 66 3.328 -16.841 -10.114 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.775 -15.707 -9.246 1.00 0.00 C ATOM 970 CG2 VAL A 66 2.469 -16.978 -11.372 1.00 0.00 C ATOM 0 H VAL A 66 5.984 -15.825 -8.913 1.00 0.00 H new ATOM 0 HA VAL A 66 5.112 -17.173 -11.315 1.00 0.00 H new ATOM 0 HB VAL A 66 3.311 -17.774 -9.551 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.751 -15.940 -8.952 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.392 -15.597 -8.354 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.787 -14.776 -9.813 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.443 -17.214 -11.088 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.485 -16.040 -11.927 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.866 -17.777 -11.998 1.00 0.00 H new ATOM 980 N ASP A 67 4.844 -14.956 -12.353 1.00 0.00 N ATOM 981 CA ASP A 67 4.890 -13.606 -12.981 1.00 0.00 C ATOM 982 C ASP A 67 3.675 -12.781 -12.583 1.00 0.00 C ATOM 983 O ASP A 67 2.570 -13.058 -13.011 1.00 0.00 O ATOM 984 CB ASP A 67 4.884 -13.787 -14.508 1.00 0.00 C ATOM 985 CG ASP A 67 5.399 -12.508 -15.174 1.00 0.00 C ATOM 986 OD1 ASP A 67 6.575 -12.237 -14.990 1.00 0.00 O ATOM 987 OD2 ASP A 67 4.590 -11.876 -15.832 1.00 0.00 O ATOM 0 H ASP A 67 4.843 -15.738 -13.008 1.00 0.00 H new ATOM 0 HA ASP A 67 5.788 -13.087 -12.647 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.511 -14.634 -14.787 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.875 -14.010 -14.855 1.00 0.00 H new ATOM 992 N TYR A 68 3.905 -11.778 -11.776 1.00 0.00 N ATOM 993 CA TYR A 68 2.783 -10.911 -11.330 1.00 0.00 C ATOM 994 C TYR A 68 2.866 -9.539 -11.977 1.00 0.00 C ATOM 995 O TYR A 68 3.940 -8.987 -12.124 1.00 0.00 O ATOM 996 CB TYR A 68 2.900 -10.735 -9.813 1.00 0.00 C ATOM 997 CG TYR A 68 1.739 -11.448 -9.133 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.469 -10.912 -9.170 1.00 0.00 C ATOM 999 CD2 TYR A 68 1.942 -12.644 -8.475 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.580 -11.559 -8.560 1.00 0.00 C ATOM 1001 CE2 TYR A 68 0.893 -13.293 -7.863 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.377 -12.757 -7.900 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.429 -13.407 -7.288 1.00 0.00 O ATOM 0 H TYR A 68 4.822 -11.525 -11.409 1.00 0.00 H new ATOM 0 HA TYR A 68 1.838 -11.375 -11.612 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.848 -11.141 -9.460 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.892 -9.676 -9.556 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.297 -9.977 -9.682 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.932 -13.075 -8.440 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.570 -11.128 -8.597 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.066 -14.228 -7.351 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.170 -14.330 -7.085 1.00 0.00 H new ATOM 1013 N THR A 69 1.725 -9.015 -12.355 1.00 0.00 N ATOM 1014 CA THR A 69 1.699 -7.676 -12.998 1.00 0.00 C ATOM 1015 C THR A 69 0.787 -6.732 -12.229 1.00 0.00 C ATOM 1016 O THR A 69 -0.339 -7.077 -11.916 1.00 0.00 O ATOM 1017 CB THR A 69 1.149 -7.839 -14.416 1.00 0.00 C ATOM 1018 OG1 THR A 69 0.831 -9.210 -14.537 1.00 0.00 O ATOM 1019 CG2 THR A 69 2.250 -7.606 -15.461 1.00 0.00 C ATOM 0 H THR A 69 0.814 -9.461 -12.244 1.00 0.00 H new ATOM 0 HA THR A 69 2.707 -7.261 -13.010 1.00 0.00 H new ATOM 0 HB THR A 69 0.322 -7.147 -14.572 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.136 -9.541 -15.408 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.834 -7.728 -16.461 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.646 -6.596 -15.353 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.052 -8.329 -15.312 1.00 0.00 H new ATOM 1027 N ILE A 70 1.296 -5.555 -11.927 1.00 0.00 N ATOM 1028 CA ILE A 70 0.476 -4.563 -11.174 1.00 0.00 C ATOM 1029 C ILE A 70 0.415 -3.241 -11.922 1.00 0.00 C ATOM 1030 O ILE A 70 1.215 -2.981 -12.800 1.00 0.00 O ATOM 1031 CB ILE A 70 1.111 -4.348 -9.767 1.00 0.00 C ATOM 1032 CG1 ILE A 70 1.794 -2.965 -9.664 1.00 0.00 C ATOM 1033 CG2 ILE A 70 2.173 -5.451 -9.544 1.00 0.00 C ATOM 1034 CD1 ILE A 70 2.521 -2.857 -8.325 1.00 0.00 C ATOM 0 H ILE A 70 2.237 -5.247 -12.170 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.540 -4.942 -11.070 1.00 0.00 H new ATOM 0 HB ILE A 70 0.325 -4.396 -9.013 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.499 -2.833 -10.485 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.051 -2.173 -9.752 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.632 -5.321 -8.564 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.697 -6.430 -9.595 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.939 -5.380 -10.316 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.003 -1.882 -8.250 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.804 -2.970 -7.512 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.275 -3.641 -8.256 1.00 0.00 H new ATOM 1046 N THR A 71 -0.537 -2.429 -11.558 1.00 0.00 N ATOM 1047 CA THR A 71 -0.674 -1.118 -12.230 1.00 0.00 C ATOM 1048 C THR A 71 -1.271 -0.090 -11.287 1.00 0.00 C ATOM 1049 O THR A 71 -2.399 -0.226 -10.855 1.00 0.00 O ATOM 1050 CB THR A 71 -1.606 -1.286 -13.431 1.00 0.00 C ATOM 1051 OG1 THR A 71 -1.108 -2.400 -14.141 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.459 -0.110 -14.407 1.00 0.00 C ATOM 0 H THR A 71 -1.222 -2.620 -10.826 1.00 0.00 H new ATOM 0 HA THR A 71 0.311 -0.773 -12.544 1.00 0.00 H new ATOM 0 HB THR A 71 -2.637 -1.371 -13.087 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.668 -2.563 -14.929 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.132 -0.253 -15.253 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.710 0.820 -13.897 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.431 -0.061 -14.766 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.499 0.925 -10.986 1.00 0.00 N ATOM 1061 CA VAL A 72 -1.001 1.982 -10.071 1.00 0.00 C ATOM 1062 C VAL A 72 -1.404 3.208 -10.871 1.00 0.00 C ATOM 1063 O VAL A 72 -0.602 3.780 -11.595 1.00 0.00 O ATOM 1064 CB VAL A 72 0.122 2.357 -9.081 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.686 1.077 -8.461 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.234 3.086 -9.828 1.00 0.00 C ATOM 0 H VAL A 72 0.450 1.062 -11.334 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.870 1.614 -9.526 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.276 3.004 -8.300 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.481 1.332 -7.760 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.108 0.548 -7.934 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.087 0.438 -9.248 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.028 3.352 -9.130 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.637 2.437 -10.605 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.833 3.992 -10.283 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.650 3.582 -10.742 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.143 4.766 -11.483 1.00 0.00 C ATOM 1078 C TYR A 73 -3.175 6.003 -10.602 1.00 0.00 C ATOM 1079 O TYR A 73 -3.686 5.969 -9.506 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.576 4.469 -11.951 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.554 3.983 -13.398 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -4.244 2.672 -13.690 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -4.852 4.845 -14.432 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -4.233 2.230 -14.995 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -4.839 4.402 -15.738 1.00 0.00 C ATOM 1086 CZ TYR A 73 -4.531 3.092 -16.030 1.00 0.00 C ATOM 1087 OH TYR A 73 -4.516 2.649 -17.336 1.00 0.00 O ATOM 0 H TYR A 73 -3.342 3.116 -10.155 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.473 4.959 -12.321 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.029 3.713 -11.310 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.189 5.366 -11.868 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.008 1.986 -12.890 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.097 5.875 -14.218 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.989 1.200 -15.209 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.072 5.088 -16.539 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.751 3.388 -17.935 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.623 7.076 -11.109 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.604 8.342 -10.329 1.00 0.00 C ATOM 1099 C ALA A 74 -3.606 9.324 -10.913 1.00 0.00 C ATOM 1100 O ALA A 74 -3.272 10.109 -11.779 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.198 8.953 -10.428 1.00 0.00 C ATOM 0 H ALA A 74 -2.186 7.126 -12.029 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.863 8.136 -9.290 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.165 9.883 -9.861 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.468 8.254 -10.020 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.962 9.156 -11.473 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.818 9.268 -10.431 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.846 10.197 -10.958 1.00 0.00 C ATOM 1109 C VAL A 75 -5.915 11.463 -10.127 1.00 0.00 C ATOM 1110 O VAL A 75 -6.045 11.409 -8.919 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.206 9.496 -10.905 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.282 10.442 -11.444 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -7.153 8.245 -11.778 1.00 0.00 C ATOM 0 H VAL A 75 -5.134 8.626 -9.704 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.584 10.469 -11.981 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.442 9.221 -9.877 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.253 9.947 -11.408 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.312 11.344 -10.833 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.049 10.709 -12.475 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.118 7.738 -11.747 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.925 8.528 -12.806 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.379 7.574 -11.406 1.00 0.00 H new ATOM 1123 N THR A 76 -5.828 12.583 -10.798 1.00 0.00 N ATOM 1124 CA THR A 76 -5.885 13.884 -10.085 1.00 0.00 C ATOM 1125 C THR A 76 -6.925 14.794 -10.717 1.00 0.00 C ATOM 1126 O THR A 76 -8.112 14.559 -10.609 1.00 0.00 O ATOM 1127 CB THR A 76 -4.512 14.557 -10.201 1.00 0.00 C ATOM 1128 OG1 THR A 76 -4.189 14.507 -11.576 1.00 0.00 O ATOM 1129 CG2 THR A 76 -3.421 13.717 -9.518 1.00 0.00 C ATOM 0 H THR A 76 -5.720 12.648 -11.810 1.00 0.00 H new ATOM 0 HA THR A 76 -6.152 13.711 -9.043 1.00 0.00 H new ATOM 0 HB THR A 76 -4.554 15.553 -9.759 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.315 14.926 -11.722 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.459 14.220 -9.617 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.661 13.598 -8.461 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.368 12.736 -9.990 1.00 0.00 H new ATOM 1266 N PRO A 87 -0.135 6.901 -15.280 1.00 0.00 N ATOM 1267 CA PRO A 87 -0.260 5.537 -14.756 1.00 0.00 C ATOM 1268 C PRO A 87 0.919 4.678 -15.194 1.00 0.00 C ATOM 1269 O PRO A 87 1.479 4.896 -16.251 1.00 0.00 O ATOM 1270 CB PRO A 87 -1.553 4.977 -15.387 1.00 0.00 C ATOM 1271 CG PRO A 87 -2.148 6.090 -16.293 1.00 0.00 C ATOM 1272 CD PRO A 87 -1.220 7.308 -16.198 1.00 0.00 C ATOM 0 HA PRO A 87 -0.283 5.534 -13.666 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.339 4.081 -15.970 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.265 4.691 -14.613 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -2.223 5.745 -17.324 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.156 6.350 -15.969 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.826 7.579 -17.177 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.752 8.179 -15.816 1.00 0.00 H new ATOM 1280 N ILE A 88 1.288 3.720 -14.383 1.00 0.00 N ATOM 1281 CA ILE A 88 2.435 2.858 -14.776 1.00 0.00 C ATOM 1282 C ILE A 88 2.261 1.452 -14.233 1.00 0.00 C ATOM 1283 O ILE A 88 1.481 1.228 -13.330 1.00 0.00 O ATOM 1284 CB ILE A 88 3.741 3.476 -14.230 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.905 3.133 -15.158 1.00 0.00 C ATOM 1286 CG2 ILE A 88 4.049 2.891 -12.837 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.093 4.267 -16.167 1.00 0.00 C ATOM 0 H ILE A 88 0.854 3.502 -13.486 1.00 0.00 H new ATOM 0 HA ILE A 88 2.480 2.799 -15.863 1.00 0.00 H new ATOM 0 HB ILE A 88 3.616 4.557 -14.168 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.817 2.990 -14.579 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.707 2.196 -15.678 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.971 3.329 -12.454 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.229 3.120 -12.157 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.165 1.810 -12.914 1.00 0.00 H new ATOM 0 HD11 ILE A 88 5.923 4.028 -16.832 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.182 4.388 -16.752 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.309 5.194 -15.636 1.00 0.00 H new ATOM 1299 N SER A 89 2.992 0.529 -14.797 1.00 0.00 N ATOM 1300 CA SER A 89 2.885 -0.873 -14.330 1.00 0.00 C ATOM 1301 C SER A 89 4.252 -1.530 -14.256 1.00 0.00 C ATOM 1302 O SER A 89 5.216 -1.033 -14.800 1.00 0.00 O ATOM 1303 CB SER A 89 2.024 -1.645 -15.337 1.00 0.00 C ATOM 1304 OG SER A 89 1.881 -0.748 -16.429 1.00 0.00 O ATOM 0 H SER A 89 3.654 0.688 -15.557 1.00 0.00 H new ATOM 0 HA SER A 89 2.442 -0.884 -13.334 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.505 -2.573 -15.644 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.057 -1.913 -14.912 1.00 0.00 H new ATOM 0 HG SER A 89 1.338 -1.168 -17.128 1.00 0.00 H new ATOM 1310 N ILE A 90 4.310 -2.639 -13.574 1.00 0.00 N ATOM 1311 CA ILE A 90 5.603 -3.348 -13.449 1.00 0.00 C ATOM 1312 C ILE A 90 5.379 -4.843 -13.302 1.00 0.00 C ATOM 1313 O ILE A 90 4.521 -5.273 -12.555 1.00 0.00 O ATOM 1314 CB ILE A 90 6.336 -2.833 -12.204 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.367 -2.725 -11.028 1.00 0.00 C ATOM 1316 CG2 ILE A 90 6.897 -1.430 -12.503 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.126 -2.218 -9.794 1.00 0.00 C ATOM 0 H ILE A 90 3.520 -3.079 -13.102 1.00 0.00 H new ATOM 0 HA ILE A 90 6.194 -3.164 -14.346 1.00 0.00 H new ATOM 0 HB ILE A 90 7.138 -3.526 -11.951 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.552 -2.044 -11.274 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.919 -3.697 -10.820 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.421 -1.053 -11.625 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.590 -1.487 -13.342 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.078 -0.756 -12.754 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.439 -2.139 -8.951 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.925 -2.916 -9.546 1.00 0.00 H new ATOM 0 HD13 ILE A 90 6.553 -1.238 -10.007 1.00 0.00 H new ATOM 1329 N ASN A 91 6.160 -5.607 -14.023 1.00 0.00 N ATOM 1330 CA ASN A 91 6.024 -7.084 -13.954 1.00 0.00 C ATOM 1331 C ASN A 91 7.219 -7.706 -13.240 1.00 0.00 C ATOM 1332 O ASN A 91 8.356 -7.393 -13.537 1.00 0.00 O ATOM 1333 CB ASN A 91 5.974 -7.621 -15.393 1.00 0.00 C ATOM 1334 CG ASN A 91 6.026 -9.149 -15.369 1.00 0.00 C ATOM 1335 OD1 ASN A 91 5.209 -9.800 -14.750 1.00 0.00 O ATOM 1336 ND2 ASN A 91 6.971 -9.759 -16.030 1.00 0.00 N ATOM 0 H ASN A 91 6.885 -5.267 -14.655 1.00 0.00 H new ATOM 0 HA ASN A 91 5.119 -7.339 -13.402 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.062 -7.285 -15.886 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.811 -7.227 -15.969 1.00 0.00 H new ATOM 0 HD21 ASN A 91 7.021 -10.778 -16.025 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.660 -9.217 -16.552 1.00 0.00 H new ATOM 1343 N TYR A 92 6.940 -8.578 -12.308 1.00 0.00 N ATOM 1344 CA TYR A 92 8.047 -9.230 -11.564 1.00 0.00 C ATOM 1345 C TYR A 92 7.553 -10.496 -10.874 1.00 0.00 C ATOM 1346 O TYR A 92 6.495 -10.508 -10.277 1.00 0.00 O ATOM 1347 CB TYR A 92 8.564 -8.248 -10.494 1.00 0.00 C ATOM 1348 CG TYR A 92 9.453 -8.999 -9.489 1.00 0.00 C ATOM 1349 CD1 TYR A 92 10.530 -9.748 -9.924 1.00 0.00 C ATOM 1350 CD2 TYR A 92 9.194 -8.929 -8.132 1.00 0.00 C ATOM 1351 CE1 TYR A 92 11.331 -10.416 -9.020 1.00 0.00 C ATOM 1352 CE2 TYR A 92 9.998 -9.597 -7.229 1.00 0.00 C ATOM 1353 CZ TYR A 92 11.071 -10.345 -7.666 1.00 0.00 C ATOM 1354 OH TYR A 92 11.876 -11.011 -6.762 1.00 0.00 O ATOM 0 H TYR A 92 6.000 -8.863 -12.034 1.00 0.00 H new ATOM 0 HA TYR A 92 8.841 -9.495 -12.262 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.130 -7.445 -10.966 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.725 -7.784 -9.976 1.00 0.00 H new ATOM 0 HD1 TYR A 92 10.747 -9.811 -10.980 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.357 -8.347 -7.776 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.168 -10.999 -9.375 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.785 -9.533 -6.172 1.00 0.00 H new ATOM 0 HH TYR A 92 11.549 -10.851 -5.852 1.00 0.00 H new ATOM 1364 N ARG A 93 8.327 -11.543 -10.972 1.00 0.00 N ATOM 1365 CA ARG A 93 7.915 -12.811 -10.326 1.00 0.00 C ATOM 1366 C ARG A 93 7.954 -12.679 -8.812 1.00 0.00 C ATOM 1367 O ARG A 93 9.007 -12.514 -8.228 1.00 0.00 O ATOM 1368 CB ARG A 93 8.889 -13.918 -10.760 1.00 0.00 C ATOM 1369 CG ARG A 93 8.797 -14.093 -12.278 1.00 0.00 C ATOM 1370 CD ARG A 93 9.859 -15.099 -12.736 1.00 0.00 C ATOM 1371 NE ARG A 93 9.216 -16.108 -13.629 1.00 0.00 N ATOM 1372 CZ ARG A 93 9.510 -16.118 -14.902 1.00 0.00 C ATOM 1373 NH1 ARG A 93 9.100 -15.133 -15.652 1.00 0.00 N ATOM 1374 NH2 ARG A 93 10.203 -17.115 -15.381 1.00 0.00 N ATOM 0 H ARG A 93 9.218 -11.571 -11.468 1.00 0.00 H new ATOM 0 HA ARG A 93 6.896 -13.053 -10.628 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.908 -13.658 -10.472 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.644 -14.854 -10.257 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.803 -14.444 -12.556 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.948 -13.135 -12.776 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.662 -14.585 -13.265 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.309 -15.591 -11.874 1.00 0.00 H new ATOM 0 HE ARG A 93 8.553 -16.784 -13.249 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.559 -14.371 -15.243 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.320 -15.124 -16.648 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.505 -17.869 -14.764 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.442 -17.140 -16.372 1.00 0.00 H new ATOM 1388 N THR A 94 6.792 -12.755 -8.207 1.00 0.00 N ATOM 1389 CA THR A 94 6.717 -12.637 -6.717 1.00 0.00 C ATOM 1390 C THR A 94 6.119 -13.897 -6.106 1.00 0.00 C ATOM 1391 O THR A 94 5.678 -14.722 -6.891 1.00 0.00 O ATOM 1392 CB THR A 94 5.809 -11.445 -6.366 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.364 -10.939 -7.606 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.619 -10.290 -5.741 1.00 0.00 C ATOM 1395 OXT THR A 94 6.134 -13.969 -4.889 1.00 0.00 O ATOM 0 H THR A 94 5.898 -12.893 -8.678 1.00 0.00 H new ATOM 0 HA THR A 94 7.723 -12.495 -6.322 1.00 0.00 H new ATOM 0 HB THR A 94 5.027 -11.770 -5.680 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.774 -10.171 -7.453 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.950 -9.463 -5.504 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.104 -10.638 -4.829 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.377 -9.953 -6.448 1.00 0.00 H new