USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 523 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 THR OG1 : rot 44:sc= -2.57! USER MOD Set 1.2: A 17 SER OG : rot -82:sc= 0.757 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 120:sc= -2.81! 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 -18:sc= 0.317! USER MOD Single : A 36 TYR OH : rot 30:sc= -0.662 USER MOD Single : A 39 THR OG1 : rot -25:sc= 0.218 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.17) 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+ -163:sc= -0.0651 (180deg=-0.698) 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= -0.37 USER MOD Single : A 60 SER OG : rot -80:sc= 0.987 USER MOD Single : A 63 LYS NZ :NH3+ -134:sc= 0.668 (180deg=-0.0117) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.56 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= -0.553 X(o=-0.55,f=-0.82) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0122 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 8 9.571 3.053 -6.967 1.00 0.00 N ATOM 109 CA LEU A 8 8.600 2.033 -6.471 1.00 0.00 C ATOM 110 C LEU A 8 9.388 0.758 -6.152 1.00 0.00 C ATOM 111 O LEU A 8 10.279 0.400 -6.895 1.00 0.00 O ATOM 112 CB LEU A 8 7.572 1.732 -7.585 1.00 0.00 C ATOM 113 CG LEU A 8 6.686 2.965 -7.813 1.00 0.00 C ATOM 114 CD1 LEU A 8 7.134 3.677 -9.087 1.00 0.00 C ATOM 115 CD2 LEU A 8 5.229 2.519 -7.974 1.00 0.00 C ATOM 0 HA LEU A 8 8.077 2.393 -5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.088 1.466 -8.508 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.957 0.876 -7.305 1.00 0.00 H new ATOM 0 HG LEU A 8 6.772 3.640 -6.962 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.508 4.553 -9.253 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.174 3.988 -8.984 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.041 2.998 -9.935 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.597 3.392 -8.136 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.146 1.848 -8.829 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.906 2.000 -7.072 1.00 0.00 H new ATOM 127 N GLU A 9 9.071 0.082 -5.069 1.00 0.00 N ATOM 128 CA GLU A 9 9.854 -1.159 -4.769 1.00 0.00 C ATOM 129 C GLU A 9 9.082 -2.188 -3.930 1.00 0.00 C ATOM 130 O GLU A 9 8.029 -1.907 -3.377 1.00 0.00 O ATOM 131 CB GLU A 9 11.106 -0.733 -3.971 1.00 0.00 C ATOM 132 CG GLU A 9 12.359 -0.879 -4.842 1.00 0.00 C ATOM 133 CD GLU A 9 12.748 -2.355 -4.922 1.00 0.00 C ATOM 134 OE1 GLU A 9 11.999 -3.079 -5.556 1.00 0.00 O ATOM 135 OE2 GLU A 9 13.775 -2.675 -4.346 1.00 0.00 O ATOM 0 H GLU A 9 8.335 0.324 -4.405 1.00 0.00 H new ATOM 0 HA GLU A 9 10.091 -1.638 -5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.002 0.300 -3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.202 -1.347 -3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.170 -0.486 -5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.179 -0.297 -4.421 1.00 0.00 H new ATOM 142 N VAL A 10 9.656 -3.378 -3.867 1.00 0.00 N ATOM 143 CA VAL A 10 9.041 -4.494 -3.092 1.00 0.00 C ATOM 144 C VAL A 10 9.791 -4.674 -1.770 1.00 0.00 C ATOM 145 O VAL A 10 10.956 -5.015 -1.766 1.00 0.00 O ATOM 146 CB VAL A 10 9.188 -5.779 -3.922 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.490 -6.931 -3.199 1.00 0.00 C ATOM 148 CG2 VAL A 10 8.529 -5.566 -5.286 1.00 0.00 C ATOM 0 H VAL A 10 10.534 -3.615 -4.329 1.00 0.00 H new ATOM 0 HA VAL A 10 7.993 -4.278 -2.886 1.00 0.00 H new ATOM 0 HB VAL A 10 10.244 -6.017 -4.052 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.593 -7.844 -3.785 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.946 -7.076 -2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.433 -6.696 -3.076 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.628 -6.472 -5.883 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.473 -5.336 -5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.017 -4.738 -5.800 1.00 0.00 H new ATOM 158 N VAL A 11 9.119 -4.444 -0.674 1.00 0.00 N ATOM 159 CA VAL A 11 9.804 -4.601 0.640 1.00 0.00 C ATOM 160 C VAL A 11 10.046 -6.069 0.979 1.00 0.00 C ATOM 161 O VAL A 11 11.160 -6.548 0.902 1.00 0.00 O ATOM 162 CB VAL A 11 8.928 -3.959 1.730 1.00 0.00 C ATOM 163 CG1 VAL A 11 9.800 -3.613 2.938 1.00 0.00 C ATOM 164 CG2 VAL A 11 8.308 -2.678 1.181 1.00 0.00 C ATOM 0 H VAL A 11 8.141 -4.159 -0.631 1.00 0.00 H new ATOM 0 HA VAL A 11 10.776 -4.110 0.586 1.00 0.00 H new ATOM 0 HB VAL A 11 8.143 -4.654 2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.184 -3.158 3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.260 -4.521 3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.579 -2.913 2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.686 -2.217 1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.099 -1.986 0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.696 -2.914 0.311 1.00 0.00 H new ATOM 174 N ALA A 12 9.004 -6.748 1.344 1.00 0.00 N ATOM 175 CA ALA A 12 9.143 -8.190 1.697 1.00 0.00 C ATOM 176 C ALA A 12 7.971 -8.992 1.155 1.00 0.00 C ATOM 177 O ALA A 12 7.075 -8.447 0.542 1.00 0.00 O ATOM 178 CB ALA A 12 9.161 -8.315 3.230 1.00 0.00 C ATOM 0 H ALA A 12 8.059 -6.372 1.415 1.00 0.00 H new ATOM 0 HA ALA A 12 10.064 -8.577 1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.262 -9.364 3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.003 -7.750 3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.231 -7.919 3.638 1.00 0.00 H new ATOM 184 N ALA A 13 7.997 -10.279 1.388 1.00 0.00 N ATOM 185 CA ALA A 13 6.889 -11.130 0.889 1.00 0.00 C ATOM 186 C ALA A 13 6.567 -12.258 1.865 1.00 0.00 C ATOM 187 O ALA A 13 7.253 -13.259 1.909 1.00 0.00 O ATOM 188 CB ALA A 13 7.322 -11.743 -0.448 1.00 0.00 C ATOM 0 H ALA A 13 8.732 -10.769 1.898 1.00 0.00 H new ATOM 0 HA ALA A 13 5.997 -10.514 0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.522 -12.374 -0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.534 -10.947 -1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.219 -12.345 -0.299 1.00 0.00 H new ATOM 194 N THR A 14 5.526 -12.070 2.630 1.00 0.00 N ATOM 195 CA THR A 14 5.134 -13.114 3.608 1.00 0.00 C ATOM 196 C THR A 14 4.695 -14.388 2.863 1.00 0.00 C ATOM 197 O THR A 14 4.438 -14.346 1.677 1.00 0.00 O ATOM 198 CB THR A 14 3.948 -12.560 4.421 1.00 0.00 C ATOM 199 OG1 THR A 14 3.561 -11.386 3.741 1.00 0.00 O ATOM 200 CG2 THR A 14 4.397 -12.057 5.809 1.00 0.00 C ATOM 0 H THR A 14 4.934 -11.240 2.617 1.00 0.00 H new ATOM 0 HA THR A 14 5.971 -13.364 4.260 1.00 0.00 H new ATOM 0 HB THR A 14 3.187 -13.333 4.528 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.554 -11.554 2.776 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.534 -11.674 6.354 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.842 -12.880 6.368 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.132 -11.261 5.687 1.00 0.00 H new ATOM 208 N PRO A 15 4.618 -15.509 3.573 1.00 0.00 N ATOM 209 CA PRO A 15 4.210 -16.772 2.955 1.00 0.00 C ATOM 210 C PRO A 15 2.868 -16.642 2.236 1.00 0.00 C ATOM 211 O PRO A 15 2.481 -17.509 1.477 1.00 0.00 O ATOM 212 CB PRO A 15 4.079 -17.766 4.132 1.00 0.00 C ATOM 213 CG PRO A 15 4.532 -17.019 5.424 1.00 0.00 C ATOM 214 CD PRO A 15 4.916 -15.586 5.015 1.00 0.00 C ATOM 0 HA PRO A 15 4.931 -17.093 2.204 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.050 -18.112 4.229 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.697 -18.647 3.961 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.729 -17.006 6.161 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.379 -17.527 5.884 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.343 -14.848 5.577 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.970 -15.388 5.212 1.00 0.00 H new ATOM 222 N THR A 16 2.185 -15.558 2.484 1.00 0.00 N ATOM 223 CA THR A 16 0.869 -15.355 1.823 1.00 0.00 C ATOM 224 C THR A 16 0.495 -13.882 1.817 1.00 0.00 C ATOM 225 O THR A 16 -0.664 -13.532 1.906 1.00 0.00 O ATOM 226 CB THR A 16 -0.195 -16.131 2.614 1.00 0.00 C ATOM 227 OG1 THR A 16 0.159 -15.971 3.974 1.00 0.00 O ATOM 228 CG2 THR A 16 -0.081 -17.643 2.363 1.00 0.00 C ATOM 0 H THR A 16 2.480 -14.810 3.112 1.00 0.00 H new ATOM 0 HA THR A 16 0.927 -15.708 0.793 1.00 0.00 H new ATOM 0 HB THR A 16 -1.187 -15.774 2.338 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.487 -16.445 4.538 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.847 -18.166 2.936 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.220 -17.847 1.301 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.905 -17.990 2.673 1.00 0.00 H new ATOM 236 N SER A 17 1.484 -13.043 1.711 1.00 0.00 N ATOM 237 CA SER A 17 1.197 -11.596 1.698 1.00 0.00 C ATOM 238 C SER A 17 2.364 -10.812 1.126 1.00 0.00 C ATOM 239 O SER A 17 3.508 -11.096 1.415 1.00 0.00 O ATOM 240 CB SER A 17 0.937 -11.138 3.144 1.00 0.00 C ATOM 241 OG SER A 17 1.703 -9.950 3.279 1.00 0.00 O ATOM 0 H SER A 17 2.468 -13.299 1.634 1.00 0.00 H new ATOM 0 HA SER A 17 0.325 -11.413 1.070 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.123 -10.950 3.317 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.248 -11.896 3.863 1.00 0.00 H new ATOM 0 HG SER A 17 2.634 -10.182 3.479 1.00 0.00 H new ATOM 247 N LEU A 18 2.044 -9.841 0.308 1.00 0.00 N ATOM 248 CA LEU A 18 3.117 -9.007 -0.310 1.00 0.00 C ATOM 249 C LEU A 18 3.032 -7.576 0.187 1.00 0.00 C ATOM 250 O LEU A 18 1.993 -6.951 0.116 1.00 0.00 O ATOM 251 CB LEU A 18 2.927 -9.012 -1.837 1.00 0.00 C ATOM 252 CG LEU A 18 4.247 -8.617 -2.521 1.00 0.00 C ATOM 253 CD1 LEU A 18 5.297 -9.723 -2.324 1.00 0.00 C ATOM 254 CD2 LEU A 18 3.995 -8.435 -4.018 1.00 0.00 C ATOM 0 H LEU A 18 1.091 -9.591 0.043 1.00 0.00 H new ATOM 0 HA LEU A 18 4.089 -9.419 -0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.614 -10.001 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.137 -8.315 -2.118 1.00 0.00 H new ATOM 0 HG LEU A 18 4.615 -7.690 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.227 -9.433 -2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.476 -9.869 -1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.933 -10.653 -2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.925 -8.155 -4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.627 -9.369 -4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.253 -7.651 -4.169 1.00 0.00 H new ATOM 266 N LEU A 19 4.133 -7.084 0.684 1.00 0.00 N ATOM 267 CA LEU A 19 4.155 -5.696 1.195 1.00 0.00 C ATOM 268 C LEU A 19 4.773 -4.754 0.164 1.00 0.00 C ATOM 269 O LEU A 19 5.982 -4.656 0.053 1.00 0.00 O ATOM 270 CB LEU A 19 5.011 -5.679 2.472 1.00 0.00 C ATOM 271 CG LEU A 19 4.611 -4.487 3.348 1.00 0.00 C ATOM 272 CD1 LEU A 19 5.441 -4.509 4.633 1.00 0.00 C ATOM 273 CD2 LEU A 19 4.887 -3.182 2.596 1.00 0.00 C ATOM 0 H LEU A 19 5.017 -7.588 0.756 1.00 0.00 H new ATOM 0 HA LEU A 19 3.138 -5.362 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.876 -6.609 3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.067 -5.613 2.212 1.00 0.00 H new ATOM 0 HG LEU A 19 3.550 -4.552 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.161 -3.663 5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.254 -5.438 5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.500 -4.441 4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.602 -2.335 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.949 -3.117 2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.307 -3.164 1.673 1.00 0.00 H new ATOM 285 N ILE A 20 3.931 -4.077 -0.571 1.00 0.00 N ATOM 286 CA ILE A 20 4.447 -3.137 -1.598 1.00 0.00 C ATOM 287 C ILE A 20 4.481 -1.721 -1.050 1.00 0.00 C ATOM 288 O ILE A 20 3.668 -1.357 -0.223 1.00 0.00 O ATOM 289 CB ILE A 20 3.513 -3.174 -2.807 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.106 -2.764 -2.392 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.469 -4.613 -3.341 1.00 0.00 C ATOM 292 CD1 ILE A 20 1.776 -1.404 -3.013 1.00 0.00 C ATOM 0 H ILE A 20 2.915 -4.136 -0.503 1.00 0.00 H new ATOM 0 HA ILE A 20 5.457 -3.434 -1.880 1.00 0.00 H new ATOM 0 HB ILE A 20 3.877 -2.487 -3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.384 -3.512 -2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.036 -2.708 -1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.807 -4.660 -4.205 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.472 -4.923 -3.635 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.097 -5.279 -2.562 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.770 -1.105 -2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.492 -0.661 -2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.831 -1.477 -4.099 1.00 0.00 H new ATOM 304 N SER A 21 5.423 -0.941 -1.514 1.00 0.00 N ATOM 305 CA SER A 21 5.510 0.453 -1.017 1.00 0.00 C ATOM 306 C SER A 21 5.982 1.398 -2.104 1.00 0.00 C ATOM 307 O SER A 21 6.924 1.110 -2.818 1.00 0.00 O ATOM 308 CB SER A 21 6.517 0.490 0.137 1.00 0.00 C ATOM 309 OG SER A 21 7.356 -0.625 -0.105 1.00 0.00 O ATOM 0 H SER A 21 6.124 -1.209 -2.205 1.00 0.00 H new ATOM 0 HA SER A 21 4.520 0.771 -0.691 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.083 1.422 0.143 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.019 0.413 1.104 1.00 0.00 H new ATOM 0 HG SER A 21 8.280 -0.320 -0.223 1.00 0.00 H new ATOM 315 N TRP A 22 5.309 2.514 -2.210 1.00 0.00 N ATOM 316 CA TRP A 22 5.688 3.508 -3.235 1.00 0.00 C ATOM 317 C TRP A 22 5.663 4.904 -2.630 1.00 0.00 C ATOM 318 O TRP A 22 6.065 5.077 -1.497 1.00 0.00 O ATOM 319 CB TRP A 22 4.720 3.387 -4.455 1.00 0.00 C ATOM 320 CG TRP A 22 3.345 4.013 -4.183 1.00 0.00 C ATOM 321 CD1 TRP A 22 2.939 5.149 -4.726 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.384 3.464 -3.461 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.670 5.274 -4.300 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.241 4.246 -3.487 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.378 2.278 -2.744 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.112 3.852 -2.800 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.246 1.889 -2.056 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.116 2.675 -2.084 1.00 0.00 C ATOM 0 H TRP A 22 4.514 2.773 -1.626 1.00 0.00 H new ATOM 0 HA TRP A 22 6.702 3.318 -3.588 1.00 0.00 H new ATOM 0 HB2 TRP A 22 5.171 3.872 -5.321 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.592 2.335 -4.709 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.497 5.820 -5.363 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.075 6.062 -4.556 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.261 1.657 -2.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.776 4.467 -2.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.247 0.966 -1.495 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.768 2.369 -1.544 1.00 0.00 H new ATOM 415 N VAL A 29 -4.017 14.579 -3.088 1.00 0.00 N ATOM 416 CA VAL A 29 -4.218 13.517 -4.107 1.00 0.00 C ATOM 417 C VAL A 29 -5.646 13.001 -4.087 1.00 0.00 C ATOM 418 O VAL A 29 -6.127 12.538 -3.071 1.00 0.00 O ATOM 419 CB VAL A 29 -3.273 12.355 -3.773 1.00 0.00 C ATOM 420 CG1 VAL A 29 -3.119 11.462 -5.002 1.00 0.00 C ATOM 421 CG2 VAL A 29 -1.904 12.914 -3.389 1.00 0.00 C ATOM 0 HA VAL A 29 -4.014 13.929 -5.095 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.682 11.777 -2.945 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.448 10.635 -4.769 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.094 11.069 -5.290 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.705 12.044 -5.825 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.229 12.092 -3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.498 13.487 -4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.007 13.563 -2.519 1.00 0.00 H new ATOM 431 N ARG A 30 -6.305 13.091 -5.210 1.00 0.00 N ATOM 432 CA ARG A 30 -7.696 12.610 -5.269 1.00 0.00 C ATOM 433 C ARG A 30 -7.772 11.169 -4.794 1.00 0.00 C ATOM 434 O ARG A 30 -8.512 10.855 -3.885 1.00 0.00 O ATOM 435 CB ARG A 30 -8.164 12.684 -6.726 1.00 0.00 C ATOM 436 CG ARG A 30 -9.642 13.067 -6.759 1.00 0.00 C ATOM 437 CD ARG A 30 -9.795 14.562 -6.455 1.00 0.00 C ATOM 438 NE ARG A 30 -10.861 14.737 -5.426 1.00 0.00 N ATOM 439 CZ ARG A 30 -11.595 15.815 -5.442 1.00 0.00 C ATOM 440 NH1 ARG A 30 -11.135 16.880 -6.037 1.00 0.00 N ATOM 441 NH2 ARG A 30 -12.765 15.792 -4.863 1.00 0.00 N ATOM 0 H ARG A 30 -5.935 13.476 -6.079 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.327 13.225 -4.628 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.573 13.418 -7.274 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.014 11.723 -7.218 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.065 12.840 -7.738 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.197 12.479 -6.028 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.852 14.972 -6.095 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.054 15.107 -7.363 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.014 14.020 -4.717 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.216 16.860 -6.479 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.694 17.733 -6.060 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.092 14.940 -4.408 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.352 16.626 -4.866 1.00 0.00 H new ATOM 455 N TYR A 31 -7.002 10.315 -5.418 1.00 0.00 N ATOM 456 CA TYR A 31 -7.020 8.888 -5.008 1.00 0.00 C ATOM 457 C TYR A 31 -6.090 8.047 -5.873 1.00 0.00 C ATOM 458 O TYR A 31 -5.562 8.511 -6.866 1.00 0.00 O ATOM 459 CB TYR A 31 -8.451 8.340 -5.145 1.00 0.00 C ATOM 460 CG TYR A 31 -9.117 8.928 -6.391 1.00 0.00 C ATOM 461 CD1 TYR A 31 -8.702 8.545 -7.648 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.151 9.834 -6.274 1.00 0.00 C ATOM 463 CE1 TYR A 31 -9.312 9.059 -8.774 1.00 0.00 C ATOM 464 CE2 TYR A 31 -10.761 10.350 -7.400 1.00 0.00 C ATOM 465 CZ TYR A 31 -10.346 9.967 -8.659 1.00 0.00 C ATOM 466 OH TYR A 31 -10.950 10.488 -9.787 1.00 0.00 O ATOM 0 H TYR A 31 -6.370 10.545 -6.185 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.679 8.830 -3.974 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.428 7.252 -5.213 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.033 8.592 -4.258 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.893 7.837 -7.753 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.486 10.142 -5.294 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -8.978 8.749 -9.753 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.569 11.059 -7.295 1.00 0.00 H new ATOM 0 HH TYR A 31 -11.659 11.110 -9.521 1.00 0.00 H new ATOM 476 N TYR A 32 -5.917 6.820 -5.466 1.00 0.00 N ATOM 477 CA TYR A 32 -5.029 5.891 -6.222 1.00 0.00 C ATOM 478 C TYR A 32 -5.766 4.594 -6.530 1.00 0.00 C ATOM 479 O TYR A 32 -6.769 4.296 -5.913 1.00 0.00 O ATOM 480 CB TYR A 32 -3.828 5.545 -5.319 1.00 0.00 C ATOM 481 CG TYR A 32 -2.589 6.328 -5.759 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.413 7.630 -5.354 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.614 5.730 -6.537 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.281 8.331 -5.716 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.478 6.434 -6.899 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.308 7.739 -6.488 1.00 0.00 C ATOM 487 OH TYR A 32 0.820 8.442 -6.837 1.00 0.00 O ATOM 0 H TYR A 32 -6.355 6.418 -4.637 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.715 6.364 -7.152 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.065 5.780 -4.281 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.626 4.475 -5.366 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.167 8.108 -4.747 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.740 4.708 -6.864 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.158 9.353 -5.391 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.278 5.959 -7.506 1.00 0.00 H new ATOM 0 HH TYR A 32 1.404 7.874 -7.382 1.00 0.00 H new ATOM 497 N ARG A 33 -5.267 3.849 -7.486 1.00 0.00 N ATOM 498 CA ARG A 33 -5.944 2.564 -7.828 1.00 0.00 C ATOM 499 C ARG A 33 -4.916 1.488 -8.125 1.00 0.00 C ATOM 500 O ARG A 33 -4.302 1.480 -9.176 1.00 0.00 O ATOM 501 CB ARG A 33 -6.849 2.761 -9.065 1.00 0.00 C ATOM 502 CG ARG A 33 -7.374 4.208 -9.095 1.00 0.00 C ATOM 503 CD ARG A 33 -8.366 4.396 -10.264 1.00 0.00 C ATOM 504 NE ARG A 33 -8.680 3.076 -10.890 1.00 0.00 N ATOM 505 CZ ARG A 33 -8.749 2.984 -12.193 1.00 0.00 C ATOM 506 NH1 ARG A 33 -9.672 3.658 -12.826 1.00 0.00 N ATOM 507 NH2 ARG A 33 -7.895 2.221 -12.816 1.00 0.00 N ATOM 0 H ARG A 33 -4.436 4.071 -8.034 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.550 2.254 -6.977 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.289 2.548 -9.976 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.684 2.061 -9.033 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.866 4.443 -8.151 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.540 4.902 -9.202 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.282 4.862 -9.902 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.939 5.068 -11.009 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.839 2.254 -10.307 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.324 4.244 -12.304 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.741 3.598 -13.842 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.189 1.709 -12.288 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.933 2.136 -13.832 1.00 0.00 H new ATOM 521 N ILE A 34 -4.746 0.593 -7.183 1.00 0.00 N ATOM 522 CA ILE A 34 -3.764 -0.501 -7.375 1.00 0.00 C ATOM 523 C ILE A 34 -4.459 -1.779 -7.812 1.00 0.00 C ATOM 524 O ILE A 34 -5.310 -2.297 -7.114 1.00 0.00 O ATOM 525 CB ILE A 34 -3.057 -0.750 -6.038 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.420 0.545 -5.549 1.00 0.00 C ATOM 527 CG2 ILE A 34 -1.940 -1.797 -6.247 1.00 0.00 C ATOM 528 CD1 ILE A 34 -3.315 1.172 -4.482 1.00 0.00 C ATOM 0 H ILE A 34 -5.247 0.578 -6.294 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.051 -0.213 -8.148 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.782 -1.107 -5.306 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.430 0.345 -5.139 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.287 1.236 -6.381 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.431 -1.980 -5.301 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.377 -2.727 -6.611 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.223 -1.423 -6.978 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.864 2.099 -4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.295 1.385 -4.908 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.425 0.480 -3.647 1.00 0.00 H new ATOM 540 N THR A 35 -4.080 -2.257 -8.965 1.00 0.00 N ATOM 541 CA THR A 35 -4.688 -3.503 -9.498 1.00 0.00 C ATOM 542 C THR A 35 -3.611 -4.547 -9.706 1.00 0.00 C ATOM 543 O THR A 35 -2.544 -4.233 -10.195 1.00 0.00 O ATOM 544 CB THR A 35 -5.326 -3.185 -10.852 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.284 -3.329 -11.794 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.722 -1.704 -10.940 1.00 0.00 C ATOM 0 H THR A 35 -3.370 -1.833 -9.563 1.00 0.00 H new ATOM 0 HA THR A 35 -5.432 -3.881 -8.797 1.00 0.00 H new ATOM 0 HB THR A 35 -6.197 -3.821 -11.008 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.420 -3.304 -11.332 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.173 -1.505 -11.912 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.439 -1.472 -10.153 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.835 -1.082 -10.817 1.00 0.00 H new ATOM 554 N TYR A 36 -3.892 -5.773 -9.328 1.00 0.00 N ATOM 555 CA TYR A 36 -2.866 -6.826 -9.514 1.00 0.00 C ATOM 556 C TYR A 36 -3.490 -8.147 -9.929 1.00 0.00 C ATOM 557 O TYR A 36 -4.667 -8.394 -9.707 1.00 0.00 O ATOM 558 CB TYR A 36 -2.107 -7.017 -8.185 1.00 0.00 C ATOM 559 CG TYR A 36 -3.068 -7.511 -7.097 1.00 0.00 C ATOM 560 CD1 TYR A 36 -4.036 -6.673 -6.581 1.00 0.00 C ATOM 561 CD2 TYR A 36 -2.970 -8.798 -6.610 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.891 -7.117 -5.591 1.00 0.00 C ATOM 563 CE2 TYR A 36 -3.823 -9.241 -5.621 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.791 -8.404 -5.104 1.00 0.00 C ATOM 565 OH TYR A 36 -5.646 -8.850 -4.114 1.00 0.00 O ATOM 0 H TYR A 36 -4.771 -6.077 -8.908 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.187 -6.512 -10.307 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.297 -7.734 -8.319 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.651 -6.075 -7.879 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.125 -5.663 -6.954 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.219 -9.465 -7.007 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.644 -6.451 -5.195 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.733 -10.251 -5.248 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.506 -8.385 -4.190 1.00 0.00 H new ATOM 575 N GLY A 37 -2.678 -8.968 -10.540 1.00 0.00 N ATOM 576 CA GLY A 37 -3.156 -10.297 -11.002 1.00 0.00 C ATOM 577 C GLY A 37 -1.989 -11.064 -11.633 1.00 0.00 C ATOM 578 O GLY A 37 -0.928 -10.510 -11.847 1.00 0.00 O ATOM 0 H GLY A 37 -1.697 -8.770 -10.739 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.566 -10.860 -10.164 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.960 -10.175 -11.727 1.00 0.00 H new ATOM 582 N GLU A 38 -2.200 -12.318 -11.916 1.00 0.00 N ATOM 583 CA GLU A 38 -1.119 -13.113 -12.525 1.00 0.00 C ATOM 584 C GLU A 38 -0.713 -12.536 -13.879 1.00 0.00 C ATOM 585 O GLU A 38 -1.011 -11.398 -14.183 1.00 0.00 O ATOM 586 CB GLU A 38 -1.652 -14.536 -12.721 1.00 0.00 C ATOM 587 CG GLU A 38 -1.806 -15.210 -11.356 1.00 0.00 C ATOM 588 CD GLU A 38 -3.099 -16.029 -11.340 1.00 0.00 C ATOM 589 OE1 GLU A 38 -3.175 -16.935 -12.154 1.00 0.00 O ATOM 590 OE2 GLU A 38 -3.938 -15.701 -10.517 1.00 0.00 O ATOM 0 H GLU A 38 -3.073 -12.818 -11.750 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.242 -13.101 -11.878 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.612 -14.509 -13.237 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.969 -15.109 -13.348 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.950 -15.856 -11.158 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.828 -14.459 -10.567 1.00 0.00 H new ATOM 597 N THR A 39 -0.034 -13.330 -14.667 1.00 0.00 N ATOM 598 CA THR A 39 0.400 -12.841 -16.002 1.00 0.00 C ATOM 599 C THR A 39 -0.741 -12.145 -16.731 1.00 0.00 C ATOM 600 O THR A 39 -0.530 -11.460 -17.712 1.00 0.00 O ATOM 601 CB THR A 39 0.857 -14.043 -16.834 1.00 0.00 C ATOM 602 OG1 THR A 39 1.386 -13.495 -18.026 1.00 0.00 O ATOM 603 CG2 THR A 39 -0.345 -14.882 -17.293 1.00 0.00 C ATOM 0 H THR A 39 0.235 -14.288 -14.443 1.00 0.00 H new ATOM 0 HA THR A 39 1.210 -12.125 -15.867 1.00 0.00 H new ATOM 0 HB THR A 39 1.546 -14.653 -16.251 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.978 -12.619 -18.193 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.006 -15.729 -17.882 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.889 -15.246 -16.421 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.007 -14.266 -17.902 1.00 0.00 H new ATOM 664 N VAL A 45 -6.482 -11.285 -10.136 1.00 0.00 N ATOM 665 CA VAL A 45 -7.097 -11.117 -8.801 1.00 0.00 C ATOM 666 C VAL A 45 -8.139 -10.011 -8.803 1.00 0.00 C ATOM 667 O VAL A 45 -9.300 -10.252 -9.068 1.00 0.00 O ATOM 668 CB VAL A 45 -5.993 -10.760 -7.797 1.00 0.00 C ATOM 669 CG1 VAL A 45 -6.630 -10.519 -6.423 1.00 0.00 C ATOM 670 CG2 VAL A 45 -5.000 -11.921 -7.711 1.00 0.00 C ATOM 0 HA VAL A 45 -7.592 -12.049 -8.527 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.469 -9.860 -8.118 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.854 -10.264 -5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.344 -9.699 -6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.146 -11.423 -6.097 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.212 -11.674 -6.999 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.519 -12.820 -7.380 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.560 -12.097 -8.693 1.00 0.00 H new ATOM 680 N GLN A 46 -7.710 -8.814 -8.515 1.00 0.00 N ATOM 681 CA GLN A 46 -8.676 -7.674 -8.495 1.00 0.00 C ATOM 682 C GLN A 46 -7.952 -6.348 -8.254 1.00 0.00 C ATOM 683 O GLN A 46 -6.852 -6.149 -8.726 1.00 0.00 O ATOM 684 CB GLN A 46 -9.699 -7.904 -7.353 1.00 0.00 C ATOM 685 CG GLN A 46 -11.050 -7.311 -7.770 1.00 0.00 C ATOM 686 CD GLN A 46 -12.058 -7.508 -6.642 1.00 0.00 C ATOM 687 OE1 GLN A 46 -12.181 -8.579 -6.085 1.00 0.00 O ATOM 688 NE2 GLN A 46 -12.797 -6.499 -6.270 1.00 0.00 N ATOM 0 H GLN A 46 -6.743 -8.574 -8.294 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.180 -7.625 -9.460 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.802 -8.970 -7.148 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.349 -7.435 -6.433 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.941 -6.250 -7.994 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.407 -7.794 -8.680 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.698 -5.596 -6.734 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.473 -6.613 -5.515 1.00 0.00 H new ATOM 697 N GLU A 47 -8.585 -5.461 -7.522 1.00 0.00 N ATOM 698 CA GLU A 47 -7.941 -4.153 -7.250 1.00 0.00 C ATOM 699 C GLU A 47 -8.642 -3.413 -6.116 1.00 0.00 C ATOM 700 O GLU A 47 -9.718 -3.787 -5.695 1.00 0.00 O ATOM 701 CB GLU A 47 -8.051 -3.300 -8.514 1.00 0.00 C ATOM 702 CG GLU A 47 -9.512 -2.880 -8.703 1.00 0.00 C ATOM 703 CD GLU A 47 -9.758 -2.552 -10.175 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.085 -1.652 -10.648 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.606 -3.220 -10.745 1.00 0.00 O ATOM 0 H GLU A 47 -9.509 -5.591 -7.109 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.904 -4.326 -6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.413 -2.420 -8.432 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.706 -3.864 -9.381 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.177 -3.681 -8.381 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.736 -2.012 -8.083 1.00 0.00 H new ATOM 712 N PHE A 48 -8.012 -2.368 -5.644 1.00 0.00 N ATOM 713 CA PHE A 48 -8.615 -1.579 -4.540 1.00 0.00 C ATOM 714 C PHE A 48 -8.114 -0.142 -4.588 1.00 0.00 C ATOM 715 O PHE A 48 -6.937 0.101 -4.792 1.00 0.00 O ATOM 716 CB PHE A 48 -8.209 -2.211 -3.199 1.00 0.00 C ATOM 717 CG PHE A 48 -6.693 -2.391 -3.157 1.00 0.00 C ATOM 718 CD1 PHE A 48 -6.088 -3.389 -3.897 1.00 0.00 C ATOM 719 CD2 PHE A 48 -5.907 -1.562 -2.375 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.721 -3.555 -3.857 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.540 -1.730 -2.337 1.00 0.00 C ATOM 722 CZ PHE A 48 -3.948 -2.727 -3.078 1.00 0.00 C ATOM 0 H PHE A 48 -7.109 -2.031 -5.977 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.700 -1.580 -4.646 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.533 -1.577 -2.374 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.704 -3.174 -3.075 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.690 -4.043 -4.510 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.368 -0.779 -1.791 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.256 -4.337 -4.439 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.933 -1.079 -1.725 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.877 -2.859 -3.048 1.00 0.00 H new ATOM 732 N THR A 49 -9.018 0.786 -4.402 1.00 0.00 N ATOM 733 CA THR A 49 -8.620 2.217 -4.436 1.00 0.00 C ATOM 734 C THR A 49 -8.459 2.789 -3.037 1.00 0.00 C ATOM 735 O THR A 49 -8.982 2.258 -2.075 1.00 0.00 O ATOM 736 CB THR A 49 -9.716 3.002 -5.158 1.00 0.00 C ATOM 737 OG1 THR A 49 -10.792 3.070 -4.244 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.266 2.204 -6.349 1.00 0.00 C ATOM 0 H THR A 49 -10.008 0.612 -4.229 1.00 0.00 H new ATOM 0 HA THR A 49 -7.662 2.297 -4.950 1.00 0.00 H new ATOM 0 HB THR A 49 -9.323 3.962 -5.493 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.534 3.567 -4.648 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.044 2.783 -6.847 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.460 1.999 -7.053 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.685 1.263 -5.994 1.00 0.00 H new ATOM 746 N VAL A 50 -7.734 3.873 -2.955 1.00 0.00 N ATOM 747 CA VAL A 50 -7.511 4.517 -1.642 1.00 0.00 C ATOM 748 C VAL A 50 -7.383 6.049 -1.828 1.00 0.00 C ATOM 749 O VAL A 50 -6.939 6.497 -2.866 1.00 0.00 O ATOM 750 CB VAL A 50 -6.186 3.965 -1.062 1.00 0.00 C ATOM 751 CG1 VAL A 50 -6.312 2.452 -0.879 1.00 0.00 C ATOM 752 CG2 VAL A 50 -5.043 4.254 -2.041 1.00 0.00 C ATOM 0 H VAL A 50 -7.288 4.336 -3.747 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.345 4.308 -0.972 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.980 4.441 -0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.382 2.056 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.131 2.235 -0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.513 1.984 -1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.109 3.866 -1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.251 3.772 -2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.955 5.330 -2.190 1.00 0.00 H new ATOM 762 N PRO A 51 -7.772 6.838 -0.818 1.00 0.00 N ATOM 763 CA PRO A 51 -7.676 8.298 -0.924 1.00 0.00 C ATOM 764 C PRO A 51 -6.245 8.770 -1.226 1.00 0.00 C ATOM 765 O PRO A 51 -5.975 9.953 -1.240 1.00 0.00 O ATOM 766 CB PRO A 51 -8.107 8.828 0.462 1.00 0.00 C ATOM 767 CG PRO A 51 -8.505 7.596 1.331 1.00 0.00 C ATOM 768 CD PRO A 51 -8.335 6.344 0.455 1.00 0.00 C ATOM 0 HA PRO A 51 -8.297 8.663 -1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -7.293 9.381 0.931 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.947 9.516 0.365 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.875 7.532 2.218 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.535 7.686 1.677 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.669 5.621 0.926 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.289 5.842 0.295 1.00 0.00 H new ATOM 776 N GLY A 52 -5.354 7.838 -1.460 1.00 0.00 N ATOM 777 CA GLY A 52 -3.945 8.231 -1.759 1.00 0.00 C ATOM 778 C GLY A 52 -3.185 8.518 -0.459 1.00 0.00 C ATOM 779 O GLY A 52 -2.064 8.984 -0.483 1.00 0.00 O ATOM 0 H GLY A 52 -5.539 6.835 -1.457 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.447 7.434 -2.311 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.934 9.115 -2.397 1.00 0.00 H new ATOM 783 N SER A 53 -3.817 8.232 0.651 1.00 0.00 N ATOM 784 CA SER A 53 -3.152 8.480 1.956 1.00 0.00 C ATOM 785 C SER A 53 -2.218 7.331 2.313 1.00 0.00 C ATOM 786 O SER A 53 -1.172 7.535 2.896 1.00 0.00 O ATOM 787 CB SER A 53 -4.235 8.587 3.040 1.00 0.00 C ATOM 788 OG SER A 53 -3.929 9.796 3.721 1.00 0.00 O ATOM 0 H SER A 53 -4.757 7.841 0.706 1.00 0.00 H new ATOM 0 HA SER A 53 -2.570 9.399 1.890 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.233 8.618 2.604 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.208 7.732 3.715 1.00 0.00 H new ATOM 0 HG SER A 53 -4.582 9.942 4.437 1.00 0.00 H new ATOM 794 N LYS A 54 -2.617 6.141 1.960 1.00 0.00 N ATOM 795 CA LYS A 54 -1.765 4.965 2.268 1.00 0.00 C ATOM 796 C LYS A 54 -0.534 4.934 1.364 1.00 0.00 C ATOM 797 O LYS A 54 -0.631 4.626 0.193 1.00 0.00 O ATOM 798 CB LYS A 54 -2.589 3.685 2.013 1.00 0.00 C ATOM 799 CG LYS A 54 -3.719 3.575 3.046 1.00 0.00 C ATOM 800 CD LYS A 54 -3.696 2.174 3.665 1.00 0.00 C ATOM 801 CE LYS A 54 -4.950 1.981 4.523 1.00 0.00 C ATOM 802 NZ LYS A 54 -5.248 3.219 5.296 1.00 0.00 N ATOM 0 H LYS A 54 -3.490 5.935 1.475 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.440 5.027 3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.006 3.705 1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.943 2.809 2.073 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.595 4.331 3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.682 3.761 2.571 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.658 1.418 2.881 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.801 2.047 4.274 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.798 1.729 3.886 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.805 1.144 5.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.904 2.995 6.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.365 3.603 5.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.683 3.924 4.668 1.00 0.00 H new ATOM 816 N SER A 55 0.607 5.254 1.924 1.00 0.00 N ATOM 817 CA SER A 55 1.846 5.243 1.103 1.00 0.00 C ATOM 818 C SER A 55 2.354 3.820 0.955 1.00 0.00 C ATOM 819 O SER A 55 3.142 3.517 0.077 1.00 0.00 O ATOM 820 CB SER A 55 2.916 6.084 1.818 1.00 0.00 C ATOM 821 OG SER A 55 2.305 7.355 1.985 1.00 0.00 O ATOM 0 H SER A 55 0.729 5.518 2.902 1.00 0.00 H new ATOM 0 HA SER A 55 1.635 5.654 0.116 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.192 5.646 2.777 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.828 6.155 1.226 1.00 0.00 H new ATOM 0 HG SER A 55 2.927 7.960 2.441 1.00 0.00 H new ATOM 827 N THR A 56 1.883 2.980 1.827 1.00 0.00 N ATOM 828 CA THR A 56 2.292 1.556 1.800 1.00 0.00 C ATOM 829 C THR A 56 1.057 0.677 1.914 1.00 0.00 C ATOM 830 O THR A 56 0.028 1.120 2.381 1.00 0.00 O ATOM 831 CB THR A 56 3.201 1.288 3.003 1.00 0.00 C ATOM 832 OG1 THR A 56 2.471 1.730 4.129 1.00 0.00 O ATOM 833 CG2 THR A 56 4.441 2.193 2.967 1.00 0.00 C ATOM 0 H THR A 56 1.224 3.224 2.566 1.00 0.00 H new ATOM 0 HA THR A 56 2.816 1.336 0.870 1.00 0.00 H new ATOM 0 HB THR A 56 3.496 0.239 3.015 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.001 1.584 4.940 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.070 1.983 3.832 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.004 2.002 2.054 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.130 3.237 2.990 1.00 0.00 H new ATOM 841 N ALA A 57 1.164 -0.548 1.492 1.00 0.00 N ATOM 842 CA ALA A 57 -0.018 -1.434 1.585 1.00 0.00 C ATOM 843 C ALA A 57 0.378 -2.898 1.547 1.00 0.00 C ATOM 844 O ALA A 57 1.361 -3.267 0.931 1.00 0.00 O ATOM 845 CB ALA A 57 -0.932 -1.142 0.387 1.00 0.00 C ATOM 0 H ALA A 57 2.004 -0.967 1.094 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.524 -1.242 2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.811 -1.785 0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.244 -0.098 0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.391 -1.336 -0.539 1.00 0.00 H new ATOM 851 N THR A 58 -0.407 -3.705 2.216 1.00 0.00 N ATOM 852 CA THR A 58 -0.124 -5.159 2.254 1.00 0.00 C ATOM 853 C THR A 58 -1.313 -5.936 1.711 1.00 0.00 C ATOM 854 O THR A 58 -2.392 -5.881 2.268 1.00 0.00 O ATOM 855 CB THR A 58 0.103 -5.570 3.712 1.00 0.00 C ATOM 856 OG1 THR A 58 1.265 -4.879 4.121 1.00 0.00 O ATOM 857 CG2 THR A 58 0.481 -7.055 3.809 1.00 0.00 C ATOM 0 H THR A 58 -1.233 -3.411 2.737 1.00 0.00 H new ATOM 0 HA THR A 58 0.755 -5.374 1.647 1.00 0.00 H new ATOM 0 HB THR A 58 -0.794 -5.366 4.296 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.465 -5.100 5.055 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.637 -7.323 4.854 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.323 -7.663 3.395 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.398 -7.235 3.247 1.00 0.00 H new ATOM 865 N ILE A 59 -1.094 -6.649 0.636 1.00 0.00 N ATOM 866 CA ILE A 59 -2.185 -7.433 0.038 1.00 0.00 C ATOM 867 C ILE A 59 -1.962 -8.919 0.275 1.00 0.00 C ATOM 868 O ILE A 59 -0.835 -9.366 0.361 1.00 0.00 O ATOM 869 CB ILE A 59 -2.172 -7.165 -1.462 1.00 0.00 C ATOM 870 CG1 ILE A 59 -0.827 -7.567 -2.059 1.00 0.00 C ATOM 871 CG2 ILE A 59 -2.381 -5.656 -1.693 1.00 0.00 C ATOM 872 CD1 ILE A 59 -0.782 -7.137 -3.528 1.00 0.00 C ATOM 0 H ILE A 59 -0.198 -6.714 0.154 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.137 -7.149 0.486 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.963 -7.744 -1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.014 -7.098 -1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.687 -8.645 -1.978 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.374 -5.447 -2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.339 -5.352 -1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.578 -5.099 -1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.177 -7.421 -3.961 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.587 -7.627 -4.075 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.904 -6.056 -3.595 1.00 0.00 H new ATOM 884 N SER A 60 -3.045 -9.659 0.379 1.00 0.00 N ATOM 885 CA SER A 60 -2.917 -11.125 0.614 1.00 0.00 C ATOM 886 C SER A 60 -3.722 -11.926 -0.401 1.00 0.00 C ATOM 887 O SER A 60 -4.428 -11.369 -1.221 1.00 0.00 O ATOM 888 CB SER A 60 -3.450 -11.434 2.022 1.00 0.00 C ATOM 889 OG SER A 60 -2.297 -11.838 2.747 1.00 0.00 O ATOM 0 H SER A 60 -4.001 -9.309 0.311 1.00 0.00 H new ATOM 0 HA SER A 60 -1.868 -11.405 0.514 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.918 -10.559 2.472 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.203 -12.222 1.999 1.00 0.00 H new ATOM 0 HG SER A 60 -2.088 -12.772 2.536 1.00 0.00 H new ATOM 895 N GLY A 61 -3.601 -13.227 -0.326 1.00 0.00 N ATOM 896 CA GLY A 61 -4.349 -14.095 -1.280 1.00 0.00 C ATOM 897 C GLY A 61 -3.567 -14.221 -2.588 1.00 0.00 C ATOM 898 O GLY A 61 -4.110 -14.028 -3.659 1.00 0.00 O ATOM 0 H GLY A 61 -3.020 -13.722 0.351 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.505 -15.081 -0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.335 -13.672 -1.474 1.00 0.00 H new ATOM 902 N LEU A 62 -2.298 -14.541 -2.463 1.00 0.00 N ATOM 903 CA LEU A 62 -1.440 -14.688 -3.674 1.00 0.00 C ATOM 904 C LEU A 62 -0.910 -16.104 -3.813 1.00 0.00 C ATOM 905 O LEU A 62 -1.340 -17.014 -3.134 1.00 0.00 O ATOM 906 CB LEU A 62 -0.217 -13.748 -3.545 1.00 0.00 C ATOM 907 CG LEU A 62 -0.555 -12.544 -2.661 1.00 0.00 C ATOM 908 CD1 LEU A 62 0.676 -11.654 -2.544 1.00 0.00 C ATOM 909 CD2 LEU A 62 -1.680 -11.745 -3.308 1.00 0.00 C ATOM 0 H LEU A 62 -1.825 -14.705 -1.574 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.050 -14.443 -4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.625 -14.294 -3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.092 -13.406 -4.533 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.865 -12.888 -1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.445 -10.794 -1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.493 -12.220 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.972 -11.311 -3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.924 -10.887 -2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.361 -11.398 -4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.561 -12.378 -3.415 1.00 0.00 H new ATOM 921 N LYS A 63 0.024 -16.249 -4.705 1.00 0.00 N ATOM 922 CA LYS A 63 0.638 -17.574 -4.952 1.00 0.00 C ATOM 923 C LYS A 63 2.104 -17.375 -5.388 1.00 0.00 C ATOM 924 O LYS A 63 2.397 -17.386 -6.568 1.00 0.00 O ATOM 925 CB LYS A 63 -0.127 -18.253 -6.118 1.00 0.00 C ATOM 926 CG LYS A 63 -1.474 -18.829 -5.623 1.00 0.00 C ATOM 927 CD LYS A 63 -2.613 -17.920 -6.085 1.00 0.00 C ATOM 928 CE LYS A 63 -3.925 -18.409 -5.464 1.00 0.00 C ATOM 929 NZ LYS A 63 -4.027 -17.971 -4.042 1.00 0.00 N ATOM 0 H LYS A 63 0.392 -15.492 -5.281 1.00 0.00 H new ATOM 0 HA LYS A 63 0.594 -18.183 -4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.305 -17.529 -6.913 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.482 -19.051 -6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.617 -19.837 -6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.472 -18.905 -4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.417 -16.890 -5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.685 -17.930 -7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.770 -18.019 -6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.977 -19.496 -5.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.337 -18.771 -3.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.098 -17.640 -3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.717 -17.197 -3.966 1.00 0.00 H new ATOM 943 N PRO A 64 3.015 -17.200 -4.423 1.00 0.00 N ATOM 944 CA PRO A 64 4.425 -17.000 -4.751 1.00 0.00 C ATOM 945 C PRO A 64 4.964 -18.116 -5.633 1.00 0.00 C ATOM 946 O PRO A 64 4.636 -19.273 -5.450 1.00 0.00 O ATOM 947 CB PRO A 64 5.156 -16.981 -3.394 1.00 0.00 C ATOM 948 CG PRO A 64 4.063 -16.976 -2.283 1.00 0.00 C ATOM 949 CD PRO A 64 2.712 -17.224 -2.975 1.00 0.00 C ATOM 0 HA PRO A 64 4.571 -16.079 -5.315 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.803 -17.852 -3.293 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.792 -16.100 -3.312 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.264 -17.750 -1.542 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.056 -16.023 -1.754 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.285 -18.182 -2.677 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.986 -16.455 -2.711 1.00 0.00 H new ATOM 957 N GLY A 65 5.787 -17.734 -6.582 1.00 0.00 N ATOM 958 CA GLY A 65 6.378 -18.739 -7.509 1.00 0.00 C ATOM 959 C GLY A 65 5.813 -18.537 -8.914 1.00 0.00 C ATOM 960 O GLY A 65 5.671 -19.475 -9.673 1.00 0.00 O ATOM 0 H GLY A 65 6.072 -16.769 -6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.463 -18.639 -7.525 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.156 -19.747 -7.158 1.00 0.00 H new ATOM 964 N VAL A 66 5.503 -17.305 -9.234 1.00 0.00 N ATOM 965 CA VAL A 66 4.949 -17.021 -10.579 1.00 0.00 C ATOM 966 C VAL A 66 5.063 -15.531 -10.924 1.00 0.00 C ATOM 967 O VAL A 66 5.398 -14.712 -10.083 1.00 0.00 O ATOM 968 CB VAL A 66 3.459 -17.423 -10.565 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.635 -16.288 -9.945 1.00 0.00 C ATOM 970 CG2 VAL A 66 2.979 -17.682 -12.000 1.00 0.00 C ATOM 0 H VAL A 66 5.611 -16.495 -8.623 1.00 0.00 H new ATOM 0 HA VAL A 66 5.508 -17.583 -11.327 1.00 0.00 H new ATOM 0 HB VAL A 66 3.333 -18.331 -9.976 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.582 -16.568 -9.933 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.974 -16.107 -8.925 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.763 -15.381 -10.536 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.927 -17.966 -11.986 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.103 -16.777 -12.594 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.566 -18.488 -12.440 1.00 0.00 H new ATOM 980 N ASP A 67 4.791 -15.217 -12.163 1.00 0.00 N ATOM 981 CA ASP A 67 4.868 -13.807 -12.608 1.00 0.00 C ATOM 982 C ASP A 67 3.592 -13.053 -12.256 1.00 0.00 C ATOM 983 O ASP A 67 2.506 -13.478 -12.601 1.00 0.00 O ATOM 984 CB ASP A 67 5.040 -13.791 -14.133 1.00 0.00 C ATOM 985 CG ASP A 67 5.737 -12.495 -14.547 1.00 0.00 C ATOM 986 OD1 ASP A 67 5.329 -11.471 -14.025 1.00 0.00 O ATOM 987 OD2 ASP A 67 6.640 -12.603 -15.358 1.00 0.00 O ATOM 0 H ASP A 67 4.518 -15.884 -12.885 1.00 0.00 H new ATOM 0 HA ASP A 67 5.708 -13.324 -12.109 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.627 -14.652 -14.454 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.068 -13.867 -14.621 1.00 0.00 H new ATOM 992 N TYR A 68 3.753 -11.944 -11.575 1.00 0.00 N ATOM 993 CA TYR A 68 2.574 -11.133 -11.182 1.00 0.00 C ATOM 994 C TYR A 68 2.627 -9.753 -11.833 1.00 0.00 C ATOM 995 O TYR A 68 3.654 -9.098 -11.819 1.00 0.00 O ATOM 996 CB TYR A 68 2.607 -10.962 -9.661 1.00 0.00 C ATOM 997 CG TYR A 68 1.496 -11.805 -9.031 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.201 -11.330 -8.974 1.00 0.00 C ATOM 999 CD2 TYR A 68 1.773 -13.051 -8.507 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.800 -12.088 -8.403 1.00 0.00 C ATOM 1001 CE2 TYR A 68 0.772 -13.810 -7.935 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.522 -13.334 -7.879 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.523 -14.092 -7.305 1.00 0.00 O ATOM 0 H TYR A 68 4.654 -11.571 -11.277 1.00 0.00 H new ATOM 0 HA TYR A 68 1.663 -11.636 -11.506 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.577 -11.269 -9.270 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.475 -9.912 -9.399 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -0.030 -10.356 -9.380 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.781 -13.436 -8.545 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.809 -11.704 -8.366 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.003 -14.783 -7.528 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.150 -14.941 -6.989 1.00 0.00 H new ATOM 1013 N THR A 69 1.516 -9.339 -12.394 1.00 0.00 N ATOM 1014 CA THR A 69 1.472 -8.000 -13.056 1.00 0.00 C ATOM 1015 C THR A 69 0.748 -6.983 -12.177 1.00 0.00 C ATOM 1016 O THR A 69 -0.267 -7.294 -11.579 1.00 0.00 O ATOM 1017 CB THR A 69 0.708 -8.152 -14.373 1.00 0.00 C ATOM 1018 OG1 THR A 69 1.618 -8.765 -15.263 1.00 0.00 O ATOM 1019 CG2 THR A 69 0.414 -6.781 -15.004 1.00 0.00 C ATOM 0 H THR A 69 0.644 -9.867 -12.421 1.00 0.00 H new ATOM 0 HA THR A 69 2.489 -7.645 -13.226 1.00 0.00 H new ATOM 0 HB THR A 69 -0.221 -8.695 -14.198 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.187 -8.894 -16.134 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.130 -6.920 -15.939 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.189 -6.187 -14.318 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.352 -6.264 -15.203 1.00 0.00 H new ATOM 1027 N ILE A 70 1.285 -5.780 -12.114 1.00 0.00 N ATOM 1028 CA ILE A 70 0.638 -4.723 -11.275 1.00 0.00 C ATOM 1029 C ILE A 70 0.497 -3.413 -12.040 1.00 0.00 C ATOM 1030 O ILE A 70 1.220 -3.154 -12.986 1.00 0.00 O ATOM 1031 CB ILE A 70 1.515 -4.470 -10.045 1.00 0.00 C ATOM 1032 CG1 ILE A 70 1.005 -3.231 -9.295 1.00 0.00 C ATOM 1033 CG2 ILE A 70 2.966 -4.218 -10.524 1.00 0.00 C ATOM 1034 CD1 ILE A 70 1.589 -3.213 -7.878 1.00 0.00 C ATOM 0 H ILE A 70 2.133 -5.492 -12.603 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.356 -5.070 -10.992 1.00 0.00 H new ATOM 0 HB ILE A 70 1.481 -5.331 -9.377 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.293 -2.326 -9.830 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.084 -3.243 -9.251 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.607 -4.035 -9.662 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.327 -5.092 -11.066 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.986 -3.349 -11.182 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.227 -2.333 -7.346 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.279 -4.112 -7.345 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.677 -3.181 -7.933 1.00 0.00 H new ATOM 1046 N THR A 71 -0.435 -2.604 -11.605 1.00 0.00 N ATOM 1047 CA THR A 71 -0.657 -1.302 -12.277 1.00 0.00 C ATOM 1048 C THR A 71 -1.207 -0.281 -11.294 1.00 0.00 C ATOM 1049 O THR A 71 -2.236 -0.506 -10.687 1.00 0.00 O ATOM 1050 CB THR A 71 -1.676 -1.506 -13.398 1.00 0.00 C ATOM 1051 OG1 THR A 71 -1.020 -2.303 -14.362 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.968 -0.182 -14.118 1.00 0.00 C ATOM 0 H THR A 71 -1.049 -2.795 -10.813 1.00 0.00 H new ATOM 0 HA THR A 71 0.290 -0.935 -12.672 1.00 0.00 H new ATOM 0 HB THR A 71 -2.595 -1.927 -12.990 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.626 -2.473 -15.113 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.696 -0.352 -14.912 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.370 0.539 -13.406 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.046 0.209 -14.549 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.510 0.828 -11.156 1.00 0.00 N ATOM 1061 CA VAL A 72 -0.984 1.883 -10.209 1.00 0.00 C ATOM 1062 C VAL A 72 -1.359 3.154 -10.956 1.00 0.00 C ATOM 1063 O VAL A 72 -0.644 3.598 -11.841 1.00 0.00 O ATOM 1064 CB VAL A 72 0.152 2.210 -9.211 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.553 0.938 -8.466 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.357 2.747 -9.973 1.00 0.00 C ATOM 0 H VAL A 72 0.355 1.042 -11.653 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.864 1.510 -9.685 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.194 2.959 -8.499 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.353 1.166 -7.762 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.308 0.548 -7.923 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.900 0.192 -9.181 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.158 2.978 -9.271 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.702 1.996 -10.684 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.074 3.652 -10.511 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.487 3.710 -10.587 1.00 0.00 N ATOM 1077 CA TYR A 73 -2.960 4.957 -11.244 1.00 0.00 C ATOM 1078 C TYR A 73 -2.927 6.113 -10.252 1.00 0.00 C ATOM 1079 O TYR A 73 -3.565 6.055 -9.212 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.417 4.746 -11.692 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.470 4.338 -13.172 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -3.903 3.152 -13.597 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -5.115 5.138 -14.098 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -3.983 2.770 -14.922 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -5.194 4.756 -15.422 1.00 0.00 C ATOM 1086 CZ TYR A 73 -4.629 3.568 -15.844 1.00 0.00 C ATOM 1087 OH TYR A 73 -4.712 3.185 -17.167 1.00 0.00 O ATOM 0 H TYR A 73 -3.099 3.349 -9.856 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.317 5.187 -12.093 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.884 3.975 -11.079 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.987 5.663 -11.541 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.393 2.518 -12.887 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.561 6.070 -13.782 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.536 1.839 -15.239 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.701 5.391 -16.133 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.202 3.865 -17.674 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.184 7.142 -10.586 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.094 8.314 -9.674 1.00 0.00 C ATOM 1099 C ALA A 74 -2.979 9.450 -10.170 1.00 0.00 C ATOM 1100 O ALA A 74 -2.642 10.125 -11.125 1.00 0.00 O ATOM 1101 CB ALA A 74 -0.637 8.798 -9.660 1.00 0.00 C ATOM 0 H ALA A 74 -1.641 7.216 -11.446 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.424 8.021 -8.677 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.546 9.658 -8.997 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.010 7.996 -9.304 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.339 9.084 -10.669 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.094 9.646 -9.508 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.019 10.736 -9.926 1.00 0.00 C ATOM 1109 C VAL A 75 -4.948 11.918 -8.969 1.00 0.00 C ATOM 1110 O VAL A 75 -5.551 11.901 -7.912 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.451 10.184 -9.914 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.375 11.177 -10.630 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.483 8.842 -10.650 1.00 0.00 C ATOM 0 H VAL A 75 -4.399 9.100 -8.702 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.731 11.078 -10.920 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.784 10.044 -8.886 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.395 10.793 -10.626 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.347 12.137 -10.114 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.041 11.308 -11.659 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.499 8.447 -10.643 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.156 8.984 -11.680 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.817 8.138 -10.152 1.00 0.00 H new ATOM 1123 N THR A 76 -4.204 12.926 -9.361 1.00 0.00 N ATOM 1124 CA THR A 76 -4.064 14.135 -8.501 1.00 0.00 C ATOM 1125 C THR A 76 -4.706 15.338 -9.176 1.00 0.00 C ATOM 1126 O THR A 76 -4.811 15.391 -10.386 1.00 0.00 O ATOM 1127 CB THR A 76 -2.574 14.415 -8.307 1.00 0.00 C ATOM 1128 OG1 THR A 76 -2.103 14.825 -9.574 1.00 0.00 O ATOM 1129 CG2 THR A 76 -1.813 13.117 -8.011 1.00 0.00 C ATOM 0 H THR A 76 -3.689 12.959 -10.241 1.00 0.00 H new ATOM 0 HA THR A 76 -4.556 13.961 -7.544 1.00 0.00 H new ATOM 0 HB THR A 76 -2.433 15.134 -7.500 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.145 15.024 -9.518 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.754 13.339 -7.876 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.207 12.663 -7.102 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.936 12.425 -8.844 1.00 0.00 H new ATOM 1266 N PRO A 87 -0.158 6.997 -15.608 1.00 0.00 N ATOM 1267 CA PRO A 87 -0.123 5.732 -14.867 1.00 0.00 C ATOM 1268 C PRO A 87 1.050 4.863 -15.294 1.00 0.00 C ATOM 1269 O PRO A 87 1.694 5.133 -16.288 1.00 0.00 O ATOM 1270 CB PRO A 87 -1.450 5.031 -15.220 1.00 0.00 C ATOM 1271 CG PRO A 87 -2.333 6.069 -15.970 1.00 0.00 C ATOM 1272 CD PRO A 87 -1.428 7.258 -16.324 1.00 0.00 C ATOM 0 HA PRO A 87 -0.004 5.904 -13.797 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.269 4.157 -15.845 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.951 4.680 -14.318 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -2.763 5.630 -16.871 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.165 6.391 -15.344 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.268 7.326 -17.400 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.873 8.201 -16.008 1.00 0.00 H new ATOM 1280 N ILE A 88 1.313 3.830 -14.532 1.00 0.00 N ATOM 1281 CA ILE A 88 2.444 2.945 -14.896 1.00 0.00 C ATOM 1282 C ILE A 88 2.208 1.524 -14.411 1.00 0.00 C ATOM 1283 O ILE A 88 1.600 1.307 -13.382 1.00 0.00 O ATOM 1284 CB ILE A 88 3.712 3.485 -14.235 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.923 2.700 -14.730 1.00 0.00 C ATOM 1286 CG2 ILE A 88 3.594 3.300 -12.710 1.00 0.00 C ATOM 1287 CD1 ILE A 88 6.192 3.269 -14.089 1.00 0.00 C ATOM 0 H ILE A 88 0.800 3.570 -13.690 1.00 0.00 H new ATOM 0 HA ILE A 88 2.541 2.928 -15.982 1.00 0.00 H new ATOM 0 HB ILE A 88 3.832 4.539 -14.484 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.815 1.645 -14.477 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.991 2.762 -15.816 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.493 3.682 -12.227 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.725 3.846 -12.343 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.480 2.241 -12.480 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.059 2.710 -14.441 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.300 4.318 -14.365 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.121 3.184 -13.005 1.00 0.00 H new ATOM 1299 N SER A 89 2.695 0.581 -15.172 1.00 0.00 N ATOM 1300 CA SER A 89 2.520 -0.838 -14.787 1.00 0.00 C ATOM 1301 C SER A 89 3.776 -1.629 -15.113 1.00 0.00 C ATOM 1302 O SER A 89 4.451 -1.346 -16.083 1.00 0.00 O ATOM 1303 CB SER A 89 1.351 -1.415 -15.595 1.00 0.00 C ATOM 1304 OG SER A 89 1.783 -1.317 -16.944 1.00 0.00 O ATOM 0 H SER A 89 3.205 0.737 -16.041 1.00 0.00 H new ATOM 0 HA SER A 89 2.325 -0.904 -13.717 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.145 -2.448 -15.316 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.434 -0.851 -15.428 1.00 0.00 H new ATOM 0 HG SER A 89 1.087 -1.670 -17.537 1.00 0.00 H new ATOM 1310 N ILE A 90 4.073 -2.608 -14.302 1.00 0.00 N ATOM 1311 CA ILE A 90 5.289 -3.420 -14.566 1.00 0.00 C ATOM 1312 C ILE A 90 5.089 -4.868 -14.145 1.00 0.00 C ATOM 1313 O ILE A 90 4.319 -5.161 -13.250 1.00 0.00 O ATOM 1314 CB ILE A 90 6.450 -2.843 -13.753 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.963 -2.453 -12.366 1.00 0.00 C ATOM 1316 CG2 ILE A 90 6.987 -1.585 -14.460 1.00 0.00 C ATOM 1317 CD1 ILE A 90 7.066 -2.747 -11.350 1.00 0.00 C ATOM 0 H ILE A 90 3.533 -2.876 -13.479 1.00 0.00 H new ATOM 0 HA ILE A 90 5.496 -3.389 -15.636 1.00 0.00 H new ATOM 0 HB ILE A 90 7.236 -3.593 -13.668 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.702 -1.395 -12.342 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.061 -3.010 -12.114 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.815 -1.170 -13.885 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.336 -1.850 -15.458 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.191 -0.844 -14.538 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.725 -2.470 -10.352 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.305 -3.810 -11.370 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.956 -2.170 -11.602 1.00 0.00 H new ATOM 1329 N ASN A 91 5.787 -5.747 -14.806 1.00 0.00 N ATOM 1330 CA ASN A 91 5.664 -7.178 -14.470 1.00 0.00 C ATOM 1331 C ASN A 91 6.730 -7.552 -13.449 1.00 0.00 C ATOM 1332 O ASN A 91 7.715 -6.855 -13.305 1.00 0.00 O ATOM 1333 CB ASN A 91 5.890 -7.990 -15.751 1.00 0.00 C ATOM 1334 CG ASN A 91 6.474 -7.075 -16.831 1.00 0.00 C ATOM 1335 OD1 ASN A 91 5.766 -6.330 -17.479 1.00 0.00 O ATOM 1336 ND2 ASN A 91 7.759 -7.098 -17.054 1.00 0.00 N ATOM 0 H ASN A 91 6.435 -5.530 -15.563 1.00 0.00 H new ATOM 0 HA ASN A 91 4.678 -7.385 -14.054 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.569 -8.820 -15.555 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.949 -8.422 -16.093 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.164 -6.493 -17.769 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.359 -7.721 -16.514 1.00 0.00 H new ATOM 1343 N TYR A 92 6.533 -8.638 -12.754 1.00 0.00 N ATOM 1344 CA TYR A 92 7.554 -9.028 -11.751 1.00 0.00 C ATOM 1345 C TYR A 92 7.440 -10.492 -11.356 1.00 0.00 C ATOM 1346 O TYR A 92 6.357 -11.024 -11.217 1.00 0.00 O ATOM 1347 CB TYR A 92 7.343 -8.167 -10.496 1.00 0.00 C ATOM 1348 CG TYR A 92 8.625 -8.173 -9.657 1.00 0.00 C ATOM 1349 CD1 TYR A 92 8.953 -9.270 -8.889 1.00 0.00 C ATOM 1350 CD2 TYR A 92 9.471 -7.083 -9.660 1.00 0.00 C ATOM 1351 CE1 TYR A 92 10.109 -9.278 -8.136 1.00 0.00 C ATOM 1352 CE2 TYR A 92 10.627 -7.090 -8.906 1.00 0.00 C ATOM 1353 CZ TYR A 92 10.955 -8.190 -8.138 1.00 0.00 C ATOM 1354 OH TYR A 92 12.112 -8.199 -7.387 1.00 0.00 O ATOM 0 H TYR A 92 5.727 -9.258 -12.836 1.00 0.00 H new ATOM 0 HA TYR A 92 8.540 -8.875 -12.189 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.085 -7.147 -10.780 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.510 -8.555 -9.910 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.300 -10.130 -8.877 1.00 0.00 H new ATOM 0 HD2 TYR A 92 9.227 -6.217 -10.257 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.353 -10.145 -7.540 1.00 0.00 H new ATOM 0 HE2 TYR A 92 11.280 -6.229 -8.917 1.00 0.00 H new ATOM 0 HH TYR A 92 12.588 -7.351 -7.509 1.00 0.00 H new ATOM 1364 N ARG A 93 8.574 -11.116 -11.184 1.00 0.00 N ATOM 1365 CA ARG A 93 8.581 -12.541 -10.795 1.00 0.00 C ATOM 1366 C ARG A 93 8.731 -12.649 -9.293 1.00 0.00 C ATOM 1367 O ARG A 93 9.823 -12.543 -8.766 1.00 0.00 O ATOM 1368 CB ARG A 93 9.768 -13.219 -11.491 1.00 0.00 C ATOM 1369 CG ARG A 93 9.739 -14.732 -11.237 1.00 0.00 C ATOM 1370 CD ARG A 93 11.104 -15.320 -11.600 1.00 0.00 C ATOM 1371 NE ARG A 93 10.938 -16.759 -11.946 1.00 0.00 N ATOM 1372 CZ ARG A 93 11.847 -17.350 -12.671 1.00 0.00 C ATOM 1373 NH1 ARG A 93 12.865 -17.909 -12.076 1.00 0.00 N ATOM 1374 NH2 ARG A 93 11.708 -17.363 -13.967 1.00 0.00 N ATOM 0 H ARG A 93 9.495 -10.692 -11.298 1.00 0.00 H new ATOM 0 HA ARG A 93 7.650 -13.025 -11.090 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.731 -13.022 -12.562 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.704 -12.799 -11.122 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.507 -14.935 -10.191 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.956 -15.200 -11.834 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.535 -14.778 -12.442 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.795 -15.212 -10.764 1.00 0.00 H new ATOM 0 HE ARG A 93 10.122 -17.277 -11.619 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.941 -17.879 -11.059 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.585 -18.376 -12.628 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.899 -16.916 -14.398 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.409 -17.820 -14.550 1.00 0.00 H new ATOM 1388 N THR A 94 7.621 -12.862 -8.629 1.00 0.00 N ATOM 1389 CA THR A 94 7.657 -12.982 -7.140 1.00 0.00 C ATOM 1390 C THR A 94 7.239 -14.380 -6.702 1.00 0.00 C ATOM 1391 O THR A 94 6.361 -14.914 -7.361 1.00 0.00 O ATOM 1392 CB THR A 94 6.665 -11.957 -6.547 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.973 -11.426 -7.657 1.00 0.00 O ATOM 1394 CG2 THR A 94 7.402 -10.733 -5.932 1.00 0.00 C ATOM 1395 OXT THR A 94 7.819 -14.841 -5.732 1.00 0.00 O ATOM 0 H THR A 94 6.698 -12.957 -9.051 1.00 0.00 H new ATOM 0 HA THR A 94 8.672 -12.794 -6.789 1.00 0.00 H new ATOM 0 HB THR A 94 6.053 -12.446 -5.789 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.320 -10.764 -7.349 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.671 -10.035 -5.525 1.00 0.00 H new ATOM 0 HG22 THR A 94 8.064 -11.070 -5.135 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.988 -10.235 -6.705 1.00 0.00 H new