USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 651 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 76 SER OG : rot 52:sc= 0.576 USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 89 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 61 TYR OH : rot 30:sc= 1.23 USER MOD Set 3.2: A 63 THR OG1 : rot 78:sc= 0.0581 USER MOD Set 4.1: A 30 ASN :FLIP amide:sc= 0.232 F(o=-0.33,f=0.49) USER MOD Set 4.2: A 58 SER OG : rot 147:sc= 0.262 USER MOD Set 5.1: A 18 THR OG1 : rot -20:sc= 1.49 USER MOD Set 5.2: A 20 SER OG : rot -25:sc= 0.442 USER MOD Set 5.3: A 21 SER OG : rot 32:sc= 0.16 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.00602 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 91:sc= 0.762 USER MOD Single : A 40 THR OG1 : rot 21:sc= 0.725 USER MOD Single : A 57 SER OG : rot 74:sc= 0.217 USER MOD Single : A 62 TYR OH : rot 13:sc= 0.465 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 6:sc= 1.28 USER MOD Single : A 79 THR OG1 : rot 100:sc= 0.189 USER MOD Single : A 82 ASN :FLIP amide:sc= -0.0995 F(o=-0.62,f=-0.1) USER MOD Single : A 86 SER OG : rot -153:sc= 0.0826 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.519 X(o=-0.52,f=-0.05) USER MOD Single : A 94 GLN : amide:sc= 0.437 X(o=0.44,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.105 USER MOD ----------------------------------------------------------------- ATOM 77 N VAL A 6 -14.881 6.846 3.258 1.00 0.00 N ATOM 78 CA VAL A 6 -13.627 7.551 2.992 1.00 0.00 C ATOM 79 C VAL A 6 -13.134 7.157 1.582 1.00 0.00 C ATOM 80 O VAL A 6 -13.329 6.012 1.155 1.00 0.00 O ATOM 81 CB VAL A 6 -12.613 7.209 4.115 1.00 0.00 C ATOM 82 CG1 VAL A 6 -11.236 7.855 3.923 1.00 0.00 C ATOM 83 CG2 VAL A 6 -13.106 7.690 5.491 1.00 0.00 C ATOM 0 HA VAL A 6 -13.758 8.633 3.000 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.527 6.124 4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.582 7.570 4.747 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.803 7.516 2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.343 8.940 3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.369 7.432 6.252 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.244 8.771 5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.055 7.208 5.727 1.00 0.00 H new ATOM 93 N PRO A 7 -12.507 8.067 0.816 1.00 0.00 N ATOM 94 CA PRO A 7 -11.952 7.743 -0.494 1.00 0.00 C ATOM 95 C PRO A 7 -10.617 6.986 -0.350 1.00 0.00 C ATOM 96 O PRO A 7 -9.663 7.503 0.245 1.00 0.00 O ATOM 97 CB PRO A 7 -11.831 9.102 -1.190 1.00 0.00 C ATOM 98 CG PRO A 7 -11.522 10.066 -0.046 1.00 0.00 C ATOM 99 CD PRO A 7 -12.362 9.494 1.094 1.00 0.00 C ATOM 0 HA PRO A 7 -12.571 7.065 -1.082 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.038 9.100 -1.938 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.753 9.373 -1.704 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.460 10.080 0.199 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.807 11.090 -0.288 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.875 9.656 2.056 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -13.335 9.982 1.143 1.00 0.00 H new ATOM 107 N GLN A 8 -10.524 5.762 -0.880 1.00 0.00 N ATOM 108 CA GLN A 8 -9.290 4.969 -0.918 1.00 0.00 C ATOM 109 C GLN A 8 -8.399 5.413 -2.081 1.00 0.00 C ATOM 110 O GLN A 8 -8.839 6.179 -2.941 1.00 0.00 O ATOM 111 CB GLN A 8 -9.648 3.469 -0.979 1.00 0.00 C ATOM 112 CG GLN A 8 -10.160 3.008 -2.352 1.00 0.00 C ATOM 113 CD GLN A 8 -10.945 1.701 -2.259 1.00 0.00 C ATOM 114 OE1 GLN A 8 -12.055 1.693 -1.731 1.00 0.00 O ATOM 115 NE2 GLN A 8 -10.425 0.603 -2.770 1.00 0.00 N ATOM 0 H GLN A 8 -11.320 5.285 -1.303 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.713 5.135 -0.009 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.767 2.884 -0.715 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.409 3.256 -0.228 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.795 3.783 -2.781 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.316 2.877 -3.029 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.502 0.630 -3.204 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.945 -0.274 -2.731 1.00 0.00 H new ATOM 124 N LEU A 9 -7.156 4.935 -2.131 1.00 0.00 N ATOM 125 CA LEU A 9 -6.304 5.034 -3.315 1.00 0.00 C ATOM 126 C LEU A 9 -6.857 4.104 -4.397 1.00 0.00 C ATOM 127 O LEU A 9 -6.383 2.987 -4.588 1.00 0.00 O ATOM 128 CB LEU A 9 -4.847 4.696 -2.959 1.00 0.00 C ATOM 129 CG LEU A 9 -4.159 5.765 -2.092 1.00 0.00 C ATOM 130 CD1 LEU A 9 -2.831 5.200 -1.579 1.00 0.00 C ATOM 131 CD2 LEU A 9 -3.989 7.089 -2.839 1.00 0.00 C ATOM 0 H LEU A 9 -6.709 4.464 -1.344 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.308 6.055 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.823 3.742 -2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.278 4.566 -3.880 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.792 6.001 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.332 5.947 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.021 4.307 -0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.194 4.943 -2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.499 7.814 -2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.379 6.929 -3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.967 7.469 -3.133 1.00 0.00 H new ATOM 143 N THR A 10 -7.892 4.549 -5.092 1.00 0.00 N ATOM 144 CA THR A 10 -8.607 3.837 -6.146 1.00 0.00 C ATOM 145 C THR A 10 -7.714 3.601 -7.378 1.00 0.00 C ATOM 146 O THR A 10 -8.042 2.768 -8.219 1.00 0.00 O ATOM 147 CB THR A 10 -9.874 4.654 -6.470 1.00 0.00 C ATOM 148 OG1 THR A 10 -10.571 4.953 -5.272 1.00 0.00 O ATOM 149 CG2 THR A 10 -10.868 3.944 -7.386 1.00 0.00 C ATOM 0 H THR A 10 -8.282 5.477 -4.926 1.00 0.00 H new ATOM 0 HA THR A 10 -8.894 2.839 -5.814 1.00 0.00 H new ATOM 0 HB THR A 10 -9.510 5.543 -6.986 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.374 5.474 -5.482 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.728 4.591 -7.561 1.00 0.00 H new ATOM 0 HG22 THR A 10 -10.387 3.715 -8.337 1.00 0.00 H new ATOM 0 HG23 THR A 10 -11.200 3.019 -6.915 1.00 0.00 H new ATOM 157 N ASP A 11 -6.568 4.283 -7.474 1.00 0.00 N ATOM 158 CA ASP A 11 -5.574 4.122 -8.536 1.00 0.00 C ATOM 159 C ASP A 11 -4.261 3.537 -7.993 1.00 0.00 C ATOM 160 O ASP A 11 -3.181 3.776 -8.536 1.00 0.00 O ATOM 161 CB ASP A 11 -5.376 5.464 -9.243 1.00 0.00 C ATOM 162 CG ASP A 11 -4.667 5.351 -10.595 1.00 0.00 C ATOM 163 OD1 ASP A 11 -4.507 4.244 -11.161 1.00 0.00 O ATOM 164 OD2 ASP A 11 -4.393 6.434 -11.156 1.00 0.00 O ATOM 0 H ASP A 11 -6.299 4.988 -6.788 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.936 3.401 -9.269 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.349 5.933 -9.391 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.799 6.124 -8.595 1.00 0.00 H new ATOM 169 N LEU A 12 -4.338 2.820 -6.864 1.00 0.00 N ATOM 170 CA LEU A 12 -3.222 2.035 -6.328 1.00 0.00 C ATOM 171 C LEU A 12 -2.723 1.024 -7.360 1.00 0.00 C ATOM 172 O LEU A 12 -3.508 0.223 -7.868 1.00 0.00 O ATOM 173 CB LEU A 12 -3.666 1.334 -5.029 1.00 0.00 C ATOM 174 CG LEU A 12 -2.606 0.530 -4.244 1.00 0.00 C ATOM 175 CD1 LEU A 12 -2.339 -0.896 -4.764 1.00 0.00 C ATOM 176 CD2 LEU A 12 -1.306 1.335 -4.093 1.00 0.00 C ATOM 0 H LEU A 12 -5.183 2.769 -6.294 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.391 2.703 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.072 2.093 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.484 0.657 -5.277 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.045 0.373 -3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.580 -1.373 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.260 -1.477 -4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.988 -0.848 -5.795 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.576 0.747 -3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.907 1.570 -5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.512 2.261 -3.555 1.00 0.00 H new ATOM 188 N SER A 13 -1.423 1.023 -7.650 1.00 0.00 N ATOM 189 CA SER A 13 -0.777 0.023 -8.483 1.00 0.00 C ATOM 190 C SER A 13 0.666 -0.218 -8.043 1.00 0.00 C ATOM 191 O SER A 13 1.247 0.586 -7.311 1.00 0.00 O ATOM 192 CB SER A 13 -0.848 0.491 -9.942 1.00 0.00 C ATOM 193 OG SER A 13 -1.649 -0.392 -10.698 1.00 0.00 O ATOM 0 H SER A 13 -0.780 1.735 -7.303 1.00 0.00 H new ATOM 0 HA SER A 13 -1.295 -0.931 -8.380 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.261 1.499 -9.989 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.155 0.537 -10.366 1.00 0.00 H new ATOM 0 HG SER A 13 -1.689 -0.083 -11.627 1.00 0.00 H new ATOM 199 N PHE A 14 1.259 -1.316 -8.522 1.00 0.00 N ATOM 200 CA PHE A 14 2.677 -1.609 -8.410 1.00 0.00 C ATOM 201 C PHE A 14 3.290 -1.546 -9.800 1.00 0.00 C ATOM 202 O PHE A 14 2.583 -1.718 -10.799 1.00 0.00 O ATOM 203 CB PHE A 14 2.861 -2.995 -7.803 1.00 0.00 C ATOM 204 CG PHE A 14 2.054 -3.256 -6.551 1.00 0.00 C ATOM 205 CD1 PHE A 14 1.899 -2.266 -5.561 1.00 0.00 C ATOM 206 CD2 PHE A 14 1.428 -4.501 -6.395 1.00 0.00 C ATOM 207 CE1 PHE A 14 1.072 -2.498 -4.451 1.00 0.00 C ATOM 208 CE2 PHE A 14 0.628 -4.739 -5.273 1.00 0.00 C ATOM 209 CZ PHE A 14 0.397 -3.719 -4.337 1.00 0.00 C ATOM 0 H PHE A 14 0.741 -2.045 -9.013 1.00 0.00 H new ATOM 0 HA PHE A 14 3.170 -0.883 -7.764 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.594 -3.741 -8.551 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.917 -3.137 -7.573 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.419 -1.324 -5.657 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.563 -5.273 -7.138 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.957 -1.740 -3.690 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.185 -5.713 -5.126 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.302 -3.876 -3.529 1.00 0.00 H new ATOM 219 N VAL A 15 4.584 -1.273 -9.855 1.00 0.00 N ATOM 220 CA VAL A 15 5.410 -1.197 -11.046 1.00 0.00 C ATOM 221 C VAL A 15 6.797 -1.707 -10.650 1.00 0.00 C ATOM 222 O VAL A 15 7.057 -1.909 -9.466 1.00 0.00 O ATOM 223 CB VAL A 15 5.468 0.265 -11.542 1.00 0.00 C ATOM 224 CG1 VAL A 15 4.249 0.580 -12.408 1.00 0.00 C ATOM 225 CG2 VAL A 15 5.598 1.331 -10.441 1.00 0.00 C ATOM 0 H VAL A 15 5.121 -1.086 -9.008 1.00 0.00 H new ATOM 0 HA VAL A 15 5.007 -1.799 -11.860 1.00 0.00 H new ATOM 0 HB VAL A 15 6.390 0.323 -12.120 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.303 1.613 -12.750 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.233 -0.087 -13.270 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.340 0.439 -11.822 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.630 2.321 -10.895 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.741 1.267 -9.770 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.515 1.161 -9.876 1.00 0.00 H new ATOM 235 N ASP A 16 7.716 -1.832 -11.608 1.00 0.00 N ATOM 236 CA ASP A 16 9.150 -1.921 -11.368 1.00 0.00 C ATOM 237 C ASP A 16 9.420 -3.095 -10.422 1.00 0.00 C ATOM 238 O ASP A 16 10.093 -2.969 -9.402 1.00 0.00 O ATOM 239 CB ASP A 16 9.695 -0.551 -10.900 1.00 0.00 C ATOM 240 CG ASP A 16 9.280 0.635 -11.790 1.00 0.00 C ATOM 241 OD1 ASP A 16 9.198 0.487 -13.036 1.00 0.00 O ATOM 242 OD2 ASP A 16 9.032 1.739 -11.249 1.00 0.00 O ATOM 0 H ASP A 16 7.473 -1.875 -12.598 1.00 0.00 H new ATOM 0 HA ASP A 16 9.702 -2.139 -12.282 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.350 -0.365 -9.883 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.783 -0.599 -10.864 1.00 0.00 H new ATOM 247 N ILE A 17 8.793 -4.234 -10.743 1.00 0.00 N ATOM 248 CA ILE A 17 8.765 -5.471 -9.974 1.00 0.00 C ATOM 249 C ILE A 17 10.090 -6.200 -10.250 1.00 0.00 C ATOM 250 O ILE A 17 10.141 -7.190 -10.978 1.00 0.00 O ATOM 251 CB ILE A 17 7.458 -6.260 -10.286 1.00 0.00 C ATOM 252 CG1 ILE A 17 6.200 -5.444 -9.870 1.00 0.00 C ATOM 253 CG2 ILE A 17 7.361 -7.618 -9.558 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.009 -5.559 -10.821 1.00 0.00 C ATOM 0 H ILE A 17 8.257 -4.314 -11.607 1.00 0.00 H new ATOM 0 HA ILE A 17 8.715 -5.315 -8.896 1.00 0.00 H new ATOM 0 HB ILE A 17 7.495 -6.433 -11.362 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.886 -5.770 -8.878 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.479 -4.393 -9.787 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.425 -8.108 -9.825 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.198 -8.250 -9.854 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.391 -7.456 -8.481 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.183 -4.955 -10.445 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.297 -5.203 -11.810 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.696 -6.601 -10.887 1.00 0.00 H new ATOM 266 N THR A 18 11.191 -5.605 -9.795 1.00 0.00 N ATOM 267 CA THR A 18 12.548 -6.151 -9.904 1.00 0.00 C ATOM 268 C THR A 18 12.662 -7.422 -9.035 1.00 0.00 C ATOM 269 O THR A 18 11.744 -7.812 -8.312 1.00 0.00 O ATOM 270 CB THR A 18 13.610 -5.109 -9.486 1.00 0.00 C ATOM 271 OG1 THR A 18 13.446 -4.640 -8.174 1.00 0.00 O ATOM 272 CG2 THR A 18 13.458 -3.835 -10.308 1.00 0.00 C ATOM 0 H THR A 18 11.165 -4.700 -9.325 1.00 0.00 H new ATOM 0 HA THR A 18 12.737 -6.407 -10.947 1.00 0.00 H new ATOM 0 HB THR A 18 14.559 -5.630 -9.617 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.526 -4.807 -7.879 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.213 -3.112 -10.001 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.586 -4.067 -11.365 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.466 -3.414 -10.146 1.00 0.00 H new ATOM 280 N ASP A 19 13.826 -8.066 -9.084 1.00 0.00 N ATOM 281 CA ASP A 19 14.262 -9.062 -8.086 1.00 0.00 C ATOM 282 C ASP A 19 14.686 -8.438 -6.747 1.00 0.00 C ATOM 283 O ASP A 19 15.079 -9.155 -5.826 1.00 0.00 O ATOM 284 CB ASP A 19 15.505 -9.809 -8.604 1.00 0.00 C ATOM 285 CG ASP A 19 16.755 -8.916 -8.570 1.00 0.00 C ATOM 286 OD1 ASP A 19 16.768 -7.899 -9.305 1.00 0.00 O ATOM 287 OD2 ASP A 19 17.733 -9.234 -7.849 1.00 0.00 O ATOM 0 H ASP A 19 14.509 -7.914 -9.826 1.00 0.00 H new ATOM 0 HA ASP A 19 13.401 -9.713 -7.932 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.675 -10.698 -7.997 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.327 -10.149 -9.624 1.00 0.00 H new ATOM 292 N SER A 20 14.693 -7.108 -6.666 1.00 0.00 N ATOM 293 CA SER A 20 15.406 -6.371 -5.627 1.00 0.00 C ATOM 294 C SER A 20 14.576 -5.384 -4.818 1.00 0.00 C ATOM 295 O SER A 20 15.016 -4.894 -3.779 1.00 0.00 O ATOM 296 CB SER A 20 16.630 -5.724 -6.288 1.00 0.00 C ATOM 297 OG SER A 20 16.252 -4.620 -7.103 1.00 0.00 O ATOM 0 H SER A 20 14.199 -6.508 -7.326 1.00 0.00 H new ATOM 0 HA SER A 20 15.703 -7.083 -4.857 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.327 -5.390 -5.520 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.153 -6.464 -6.894 1.00 0.00 H new ATOM 0 HG SER A 20 15.323 -4.732 -7.395 1.00 0.00 H new ATOM 303 N SER A 21 13.396 -5.048 -5.304 1.00 0.00 N ATOM 304 CA SER A 21 12.531 -4.005 -4.826 1.00 0.00 C ATOM 305 C SER A 21 11.213 -4.075 -5.598 1.00 0.00 C ATOM 306 O SER A 21 11.108 -4.785 -6.598 1.00 0.00 O ATOM 307 CB SER A 21 13.222 -2.624 -4.948 1.00 0.00 C ATOM 308 OG SER A 21 14.204 -2.540 -5.982 1.00 0.00 O ATOM 0 H SER A 21 12.994 -5.539 -6.103 1.00 0.00 H new ATOM 0 HA SER A 21 12.316 -4.144 -3.766 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.460 -1.865 -5.126 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.695 -2.383 -3.996 1.00 0.00 H new ATOM 0 HG SER A 21 13.943 -3.119 -6.729 1.00 0.00 H new ATOM 314 N ILE A 22 10.186 -3.361 -5.152 1.00 0.00 N ATOM 315 CA ILE A 22 8.943 -3.214 -5.908 1.00 0.00 C ATOM 316 C ILE A 22 8.534 -1.748 -5.882 1.00 0.00 C ATOM 317 O ILE A 22 8.457 -1.149 -4.807 1.00 0.00 O ATOM 318 CB ILE A 22 7.863 -4.204 -5.413 1.00 0.00 C ATOM 319 CG1 ILE A 22 6.725 -4.300 -6.446 1.00 0.00 C ATOM 320 CG2 ILE A 22 7.290 -3.867 -4.036 1.00 0.00 C ATOM 321 CD1 ILE A 22 5.561 -5.231 -6.059 1.00 0.00 C ATOM 0 H ILE A 22 10.189 -2.868 -4.259 1.00 0.00 H new ATOM 0 HA ILE A 22 9.086 -3.486 -6.954 1.00 0.00 H new ATOM 0 HB ILE A 22 8.364 -5.166 -5.304 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.327 -3.300 -6.617 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.144 -4.643 -7.392 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.540 -4.609 -3.763 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.091 -3.872 -3.297 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.830 -2.879 -4.065 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.813 -5.228 -6.852 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.937 -6.244 -5.919 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.108 -4.881 -5.132 1.00 0.00 H new ATOM 333 N GLY A 23 8.353 -1.151 -7.058 1.00 0.00 N ATOM 334 CA GLY A 23 7.849 0.203 -7.192 1.00 0.00 C ATOM 335 C GLY A 23 6.333 0.222 -7.029 1.00 0.00 C ATOM 336 O GLY A 23 5.645 -0.791 -7.180 1.00 0.00 O ATOM 0 H GLY A 23 8.556 -1.603 -7.950 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.310 0.846 -6.442 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.122 0.605 -8.168 1.00 0.00 H new ATOM 340 N LEU A 24 5.780 1.395 -6.746 1.00 0.00 N ATOM 341 CA LEU A 24 4.351 1.630 -6.604 1.00 0.00 C ATOM 342 C LEU A 24 3.979 2.877 -7.385 1.00 0.00 C ATOM 343 O LEU A 24 4.830 3.716 -7.675 1.00 0.00 O ATOM 344 CB LEU A 24 3.969 1.789 -5.132 1.00 0.00 C ATOM 345 CG LEU A 24 4.188 0.497 -4.319 1.00 0.00 C ATOM 346 CD1 LEU A 24 5.444 0.610 -3.460 1.00 0.00 C ATOM 347 CD2 LEU A 24 2.996 0.198 -3.403 1.00 0.00 C ATOM 0 H LEU A 24 6.336 2.238 -6.604 1.00 0.00 H new ATOM 0 HA LEU A 24 3.805 0.773 -6.997 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.558 2.594 -4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.922 2.085 -5.062 1.00 0.00 H new ATOM 0 HG LEU A 24 4.297 -0.316 -5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.582 -0.311 -2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.310 0.775 -4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.339 1.448 -2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.186 -0.719 -2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.857 1.024 -2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.096 0.077 -4.005 1.00 0.00 H new ATOM 359 N ARG A 25 2.694 3.025 -7.691 1.00 0.00 N ATOM 360 CA ARG A 25 2.131 4.315 -8.045 1.00 0.00 C ATOM 361 C ARG A 25 0.783 4.418 -7.363 1.00 0.00 C ATOM 362 O ARG A 25 0.097 3.407 -7.190 1.00 0.00 O ATOM 363 CB ARG A 25 2.037 4.498 -9.569 1.00 0.00 C ATOM 364 CG ARG A 25 1.317 3.351 -10.297 1.00 0.00 C ATOM 365 CD ARG A 25 1.024 3.746 -11.745 1.00 0.00 C ATOM 366 NE ARG A 25 0.658 2.577 -12.565 1.00 0.00 N ATOM 367 CZ ARG A 25 1.406 2.081 -13.558 1.00 0.00 C ATOM 368 NH1 ARG A 25 2.297 2.855 -14.172 1.00 0.00 N ATOM 369 NH2 ARG A 25 1.301 0.803 -13.898 1.00 0.00 N ATOM 0 H ARG A 25 2.021 2.258 -7.700 1.00 0.00 H new ATOM 0 HA ARG A 25 2.779 5.122 -7.704 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.516 5.432 -9.780 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.044 4.596 -9.975 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.934 2.453 -10.275 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.387 3.111 -9.782 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.213 4.474 -11.767 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.900 4.232 -12.174 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.228 2.114 -12.361 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.411 3.828 -13.886 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.866 2.476 -14.929 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.649 0.195 -13.402 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.872 0.428 -14.655 1.00 0.00 H new ATOM 383 N TRP A 26 0.394 5.627 -6.984 1.00 0.00 N ATOM 384 CA TRP A 26 -0.998 5.983 -6.742 1.00 0.00 C ATOM 385 C TRP A 26 -1.143 7.504 -6.892 1.00 0.00 C ATOM 386 O TRP A 26 -0.135 8.207 -7.005 1.00 0.00 O ATOM 387 CB TRP A 26 -1.442 5.445 -5.373 1.00 0.00 C ATOM 388 CG TRP A 26 -0.707 5.956 -4.184 1.00 0.00 C ATOM 389 CD1 TRP A 26 -0.836 7.190 -3.651 1.00 0.00 C ATOM 390 CD2 TRP A 26 0.338 5.284 -3.417 1.00 0.00 C ATOM 391 NE1 TRP A 26 0.055 7.330 -2.617 1.00 0.00 N ATOM 392 CE2 TRP A 26 0.820 6.199 -2.438 1.00 0.00 C ATOM 393 CE3 TRP A 26 1.042 4.067 -3.558 1.00 0.00 C ATOM 394 CZ2 TRP A 26 1.959 5.941 -1.668 1.00 0.00 C ATOM 395 CZ3 TRP A 26 2.182 3.804 -2.776 1.00 0.00 C ATOM 396 CH2 TRP A 26 2.645 4.730 -1.832 1.00 0.00 C ATOM 0 H TRP A 26 1.044 6.399 -6.834 1.00 0.00 H new ATOM 0 HA TRP A 26 -1.664 5.522 -7.472 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.500 5.675 -5.244 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -1.351 4.359 -5.388 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -1.530 7.947 -3.985 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.141 8.172 -2.048 1.00 0.00 H new ATOM 0 HE3 TRP A 26 0.702 3.332 -4.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 2.307 6.670 -0.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.710 2.871 -2.906 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.520 4.513 -1.238 1.00 0.00 H new ATOM 407 N THR A 27 -2.368 8.025 -6.862 1.00 0.00 N ATOM 408 CA THR A 27 -2.658 9.453 -6.902 1.00 0.00 C ATOM 409 C THR A 27 -2.435 10.053 -5.511 1.00 0.00 C ATOM 410 O THR A 27 -3.196 9.706 -4.605 1.00 0.00 O ATOM 411 CB THR A 27 -4.082 9.706 -7.423 1.00 0.00 C ATOM 412 OG1 THR A 27 -4.163 9.246 -8.760 1.00 0.00 O ATOM 413 CG2 THR A 27 -4.468 11.186 -7.392 1.00 0.00 C ATOM 0 H THR A 27 -3.207 7.448 -6.808 1.00 0.00 H new ATOM 0 HA THR A 27 -1.980 9.946 -7.598 1.00 0.00 H new ATOM 0 HB THR A 27 -4.771 9.172 -6.769 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.067 9.400 -9.105 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.483 11.305 -7.771 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.418 11.554 -6.367 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.779 11.755 -8.016 1.00 0.00 H new ATOM 421 N PRO A 28 -1.369 10.834 -5.267 1.00 0.00 N ATOM 422 CA PRO A 28 -1.208 11.504 -3.991 1.00 0.00 C ATOM 423 C PRO A 28 -2.390 12.448 -3.771 1.00 0.00 C ATOM 424 O PRO A 28 -2.795 13.198 -4.663 1.00 0.00 O ATOM 425 CB PRO A 28 0.122 12.247 -4.066 1.00 0.00 C ATOM 426 CG PRO A 28 0.271 12.547 -5.552 1.00 0.00 C ATOM 427 CD PRO A 28 -0.440 11.386 -6.239 1.00 0.00 C ATOM 0 HA PRO A 28 -1.195 10.814 -3.148 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.107 13.160 -3.471 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.945 11.637 -3.694 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.183 13.503 -5.813 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.320 12.601 -5.844 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.968 11.727 -7.129 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.276 10.631 -6.563 1.00 0.00 H new ATOM 435 N LEU A 29 -2.945 12.392 -2.571 1.00 0.00 N ATOM 436 CA LEU A 29 -3.874 13.342 -2.003 1.00 0.00 C ATOM 437 C LEU A 29 -3.070 14.321 -1.177 1.00 0.00 C ATOM 438 O LEU A 29 -2.229 13.901 -0.388 1.00 0.00 O ATOM 439 CB LEU A 29 -4.954 12.649 -1.153 1.00 0.00 C ATOM 440 CG LEU A 29 -5.583 11.427 -1.856 1.00 0.00 C ATOM 441 CD1 LEU A 29 -5.291 10.084 -1.189 1.00 0.00 C ATOM 442 CD2 LEU A 29 -7.090 11.636 -1.990 1.00 0.00 C ATOM 0 H LEU A 29 -2.741 11.627 -1.928 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.408 13.861 -2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.515 12.331 -0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.738 13.368 -0.915 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.110 11.367 -2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.773 9.285 -1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.214 9.915 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.677 10.093 -0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.534 10.773 -2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.531 11.752 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.282 12.532 -2.580 1.00 0.00 H new ATOM 454 N ASN A 30 -3.348 15.607 -1.347 1.00 0.00 N ATOM 455 CA ASN A 30 -2.716 16.708 -0.629 1.00 0.00 C ATOM 456 C ASN A 30 -3.838 17.471 0.095 1.00 0.00 C ATOM 457 O ASN A 30 -3.897 18.707 0.080 1.00 0.00 O ATOM 458 CB ASN A 30 -1.933 17.600 -1.611 1.00 0.00 C ATOM 459 CG ASN A 30 -1.065 16.864 -2.626 1.00 0.00 C ATOM 460 OD1 ASN A 30 0.238 16.809 -2.440 1.00 0.00 O flip ATOM 461 ND2 ASN A 30 -1.551 16.392 -3.650 1.00 0.00 N flip ATOM 0 H ASN A 30 -4.049 15.925 -2.016 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.990 16.353 0.102 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.644 18.223 -2.153 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.296 18.271 -1.035 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.559 16.431 -3.801 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.947 15.961 -4.350 1.00 0.00 H new ATOM 468 N SER A 31 -4.826 16.716 0.585 1.00 0.00 N ATOM 469 CA SER A 31 -6.015 17.165 1.286 1.00 0.00 C ATOM 470 C SER A 31 -5.635 17.459 2.734 1.00 0.00 C ATOM 471 O SER A 31 -5.503 16.516 3.510 1.00 0.00 O ATOM 472 CB SER A 31 -7.052 16.037 1.240 1.00 0.00 C ATOM 473 OG SER A 31 -7.629 15.945 -0.049 1.00 0.00 O ATOM 0 H SER A 31 -4.806 15.701 0.491 1.00 0.00 H new ATOM 0 HA SER A 31 -6.428 18.063 0.827 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.580 15.090 1.502 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.830 16.220 1.981 1.00 0.00 H new ATOM 0 HG SER A 31 -8.287 15.219 -0.062 1.00 0.00 H new ATOM 479 N SER A 32 -5.463 18.734 3.081 1.00 0.00 N ATOM 480 CA SER A 32 -4.946 19.208 4.362 1.00 0.00 C ATOM 481 C SER A 32 -5.794 18.749 5.565 1.00 0.00 C ATOM 482 O SER A 32 -6.674 19.469 6.037 1.00 0.00 O ATOM 483 CB SER A 32 -4.699 20.722 4.288 1.00 0.00 C ATOM 484 OG SER A 32 -5.767 21.473 3.722 1.00 0.00 O ATOM 0 H SER A 32 -5.691 19.499 2.446 1.00 0.00 H new ATOM 0 HA SER A 32 -3.982 18.736 4.550 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.505 21.094 5.294 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.797 20.901 3.702 1.00 0.00 H new ATOM 0 HG SER A 32 -5.530 22.424 3.714 1.00 0.00 H new ATOM 490 N THR A 33 -5.525 17.532 6.045 1.00 0.00 N ATOM 491 CA THR A 33 -6.244 16.686 7.001 1.00 0.00 C ATOM 492 C THR A 33 -5.690 15.248 6.931 1.00 0.00 C ATOM 493 O THR A 33 -5.833 14.468 7.874 1.00 0.00 O ATOM 494 CB THR A 33 -7.771 16.730 6.737 1.00 0.00 C ATOM 495 OG1 THR A 33 -8.440 17.000 7.953 1.00 0.00 O ATOM 496 CG2 THR A 33 -8.385 15.490 6.068 1.00 0.00 C ATOM 0 H THR A 33 -4.682 17.053 5.728 1.00 0.00 H new ATOM 0 HA THR A 33 -6.087 17.066 8.011 1.00 0.00 H new ATOM 0 HB THR A 33 -7.909 17.524 6.003 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.407 17.031 7.795 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.456 15.641 5.936 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.918 15.333 5.096 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.216 14.616 6.697 1.00 0.00 H new ATOM 504 N ILE A 34 -5.118 14.862 5.789 1.00 0.00 N ATOM 505 CA ILE A 34 -4.519 13.563 5.526 1.00 0.00 C ATOM 506 C ILE A 34 -3.330 13.333 6.474 1.00 0.00 C ATOM 507 O ILE A 34 -2.795 14.292 7.037 1.00 0.00 O ATOM 508 CB ILE A 34 -4.201 13.507 4.016 1.00 0.00 C ATOM 509 CG1 ILE A 34 -4.037 12.073 3.481 1.00 0.00 C ATOM 510 CG2 ILE A 34 -3.047 14.442 3.655 1.00 0.00 C ATOM 511 CD1 ILE A 34 -2.615 11.601 3.181 1.00 0.00 C ATOM 0 H ILE A 34 -5.060 15.484 4.983 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.188 12.729 5.739 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.077 13.886 3.489 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.474 11.389 4.208 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.623 11.984 2.566 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.848 14.379 2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.314 15.466 3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.154 14.149 4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.642 10.576 2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.169 12.247 2.425 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.018 11.643 4.092 1.00 0.00 H new ATOM 523 N ILE A 35 -2.911 12.078 6.667 1.00 0.00 N ATOM 524 CA ILE A 35 -1.733 11.769 7.484 1.00 0.00 C ATOM 525 C ILE A 35 -0.746 11.011 6.594 1.00 0.00 C ATOM 526 O ILE A 35 0.435 11.370 6.569 1.00 0.00 O ATOM 527 CB ILE A 35 -2.099 10.962 8.748 1.00 0.00 C ATOM 528 CG1 ILE A 35 -3.202 11.639 9.587 1.00 0.00 C ATOM 529 CG2 ILE A 35 -0.897 10.819 9.697 1.00 0.00 C ATOM 530 CD1 ILE A 35 -4.486 10.836 9.490 1.00 0.00 C ATOM 0 H ILE A 35 -3.371 11.259 6.268 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.282 12.691 7.849 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.436 9.997 8.368 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.886 11.713 10.628 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.370 12.656 9.231 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.193 10.245 10.575 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.087 10.303 9.182 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.558 11.808 10.007 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.262 11.318 10.084 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.805 10.785 8.449 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.314 9.828 9.867 1.00 0.00 H new ATOM 542 N GLY A 36 -1.211 9.999 5.848 1.00 0.00 N ATOM 543 CA GLY A 36 -0.348 9.276 4.931 1.00 0.00 C ATOM 544 C GLY A 36 -1.030 8.051 4.357 1.00 0.00 C ATOM 545 O GLY A 36 -2.259 7.989 4.256 1.00 0.00 O ATOM 0 H GLY A 36 -2.177 9.671 5.868 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.047 9.937 4.119 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.562 8.975 5.450 1.00 0.00 H new ATOM 549 N TYR A 37 -0.211 7.084 3.945 1.00 0.00 N ATOM 550 CA TYR A 37 -0.654 5.815 3.390 1.00 0.00 C ATOM 551 C TYR A 37 0.260 4.785 4.053 1.00 0.00 C ATOM 552 O TYR A 37 1.477 4.987 4.065 1.00 0.00 O ATOM 553 CB TYR A 37 -0.456 5.802 1.858 1.00 0.00 C ATOM 554 CG TYR A 37 -0.781 7.115 1.171 1.00 0.00 C ATOM 555 CD1 TYR A 37 -2.093 7.608 1.206 1.00 0.00 C ATOM 556 CD2 TYR A 37 0.233 7.885 0.576 1.00 0.00 C ATOM 557 CE1 TYR A 37 -2.405 8.844 0.628 1.00 0.00 C ATOM 558 CE2 TYR A 37 -0.076 9.103 -0.051 1.00 0.00 C ATOM 559 CZ TYR A 37 -1.400 9.591 -0.018 1.00 0.00 C ATOM 560 OH TYR A 37 -1.697 10.781 -0.598 1.00 0.00 O ATOM 0 H TYR A 37 0.804 7.168 3.991 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.711 5.620 3.571 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.579 5.539 1.640 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.081 5.018 1.430 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.870 7.029 1.683 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.255 7.538 0.601 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.415 9.225 0.677 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.696 9.664 -0.556 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.571 11.503 0.053 1.00 0.00 H new ATOM 570 N ARG A 38 -0.295 3.725 4.628 1.00 0.00 N ATOM 571 CA ARG A 38 0.454 2.703 5.345 1.00 0.00 C ATOM 572 C ARG A 38 0.609 1.524 4.407 1.00 0.00 C ATOM 573 O ARG A 38 -0.399 0.950 3.990 1.00 0.00 O ATOM 574 CB ARG A 38 -0.290 2.365 6.646 1.00 0.00 C ATOM 575 CG ARG A 38 0.178 1.103 7.392 1.00 0.00 C ATOM 576 CD ARG A 38 -0.598 -0.159 6.971 1.00 0.00 C ATOM 577 NE ARG A 38 -0.808 -1.083 8.099 1.00 0.00 N ATOM 578 CZ ARG A 38 -1.751 -2.033 8.168 1.00 0.00 C ATOM 579 NH1 ARG A 38 -2.365 -2.466 7.072 1.00 0.00 N ATOM 580 NH2 ARG A 38 -2.120 -2.526 9.341 1.00 0.00 N ATOM 0 H ARG A 38 -1.300 3.549 4.608 1.00 0.00 H new ATOM 0 HA ARG A 38 1.450 3.033 5.640 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.200 3.215 7.322 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.349 2.253 6.415 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.241 0.950 7.206 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.061 1.256 8.465 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.563 0.131 6.556 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.052 -0.672 6.179 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.180 -0.992 8.898 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.121 -2.075 6.162 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.081 -3.190 7.140 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.686 -2.183 10.198 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.838 -3.249 9.387 1.00 0.00 H new ATOM 594 N ILE A 39 1.838 1.183 4.035 1.00 0.00 N ATOM 595 CA ILE A 39 2.124 -0.027 3.287 1.00 0.00 C ATOM 596 C ILE A 39 2.370 -1.142 4.294 1.00 0.00 C ATOM 597 O ILE A 39 2.770 -0.944 5.439 1.00 0.00 O ATOM 598 CB ILE A 39 3.262 0.197 2.256 1.00 0.00 C ATOM 599 CG1 ILE A 39 2.668 0.850 0.984 1.00 0.00 C ATOM 600 CG2 ILE A 39 3.965 -1.103 1.811 1.00 0.00 C ATOM 601 CD1 ILE A 39 2.538 2.378 1.059 1.00 0.00 C ATOM 0 H ILE A 39 2.664 1.743 4.247 1.00 0.00 H new ATOM 0 HA ILE A 39 1.279 -0.325 2.666 1.00 0.00 H new ATOM 0 HB ILE A 39 4.000 0.827 2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.295 0.592 0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.683 0.422 0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.748 -0.865 1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.407 -1.593 2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.237 -1.770 1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.114 2.753 0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.885 2.647 1.889 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.522 2.820 1.213 1.00 0.00 H new ATOM 613 N THR A 40 2.053 -2.354 3.886 1.00 0.00 N ATOM 614 CA THR A 40 2.341 -3.581 4.575 1.00 0.00 C ATOM 615 C THR A 40 2.593 -4.607 3.476 1.00 0.00 C ATOM 616 O THR A 40 2.034 -4.533 2.382 1.00 0.00 O ATOM 617 CB THR A 40 1.157 -3.853 5.511 1.00 0.00 C ATOM 618 OG1 THR A 40 1.260 -2.980 6.616 1.00 0.00 O ATOM 619 CG2 THR A 40 1.098 -5.267 6.067 1.00 0.00 C ATOM 0 H THR A 40 1.557 -2.510 3.009 1.00 0.00 H new ATOM 0 HA THR A 40 3.221 -3.585 5.218 1.00 0.00 H new ATOM 0 HB THR A 40 0.259 -3.703 4.912 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.833 -2.221 6.381 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.229 -5.366 6.717 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.019 -5.978 5.245 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.004 -5.472 6.638 1.00 0.00 H new ATOM 627 N VAL A 41 3.454 -5.570 3.743 1.00 0.00 N ATOM 628 CA VAL A 41 3.787 -6.649 2.827 1.00 0.00 C ATOM 629 C VAL A 41 3.809 -7.893 3.703 1.00 0.00 C ATOM 630 O VAL A 41 4.320 -7.876 4.830 1.00 0.00 O ATOM 631 CB VAL A 41 5.112 -6.405 2.045 1.00 0.00 C ATOM 632 CG1 VAL A 41 4.992 -6.258 0.522 1.00 0.00 C ATOM 633 CG2 VAL A 41 5.793 -5.067 2.417 1.00 0.00 C ATOM 0 H VAL A 41 3.957 -5.627 4.629 1.00 0.00 H new ATOM 0 HA VAL A 41 3.059 -6.742 2.021 1.00 0.00 H new ATOM 0 HB VAL A 41 5.659 -7.305 2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.980 -6.092 0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.562 -7.167 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.348 -5.410 0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.711 -4.953 1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.118 -4.241 2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.030 -5.063 3.481 1.00 0.00 H new ATOM 643 N VAL A 42 3.172 -8.945 3.216 1.00 0.00 N ATOM 644 CA VAL A 42 3.007 -10.234 3.864 1.00 0.00 C ATOM 645 C VAL A 42 3.263 -11.319 2.811 1.00 0.00 C ATOM 646 O VAL A 42 3.170 -11.045 1.610 1.00 0.00 O ATOM 647 CB VAL A 42 1.607 -10.312 4.512 1.00 0.00 C ATOM 648 CG1 VAL A 42 1.115 -9.012 5.153 1.00 0.00 C ATOM 649 CG2 VAL A 42 0.555 -10.689 3.485 1.00 0.00 C ATOM 0 H VAL A 42 2.728 -8.919 2.298 1.00 0.00 H new ATOM 0 HA VAL A 42 3.719 -10.382 4.676 1.00 0.00 H new ATOM 0 HB VAL A 42 1.732 -11.063 5.293 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.124 -9.169 5.580 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.806 -8.710 5.940 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.064 -8.230 4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.422 -10.737 3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.533 -9.939 2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.797 -11.662 3.056 1.00 0.00 H new ATOM 659 N ALA A 43 3.475 -12.565 3.226 1.00 0.00 N ATOM 660 CA ALA A 43 3.452 -13.685 2.298 1.00 0.00 C ATOM 661 C ALA A 43 1.980 -14.020 2.073 1.00 0.00 C ATOM 662 O ALA A 43 1.298 -14.307 3.056 1.00 0.00 O ATOM 663 CB ALA A 43 4.212 -14.876 2.892 1.00 0.00 C ATOM 0 H ALA A 43 3.664 -12.821 4.195 1.00 0.00 H new ATOM 0 HA ALA A 43 3.939 -13.441 1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.189 -15.709 2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.247 -14.590 3.081 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.742 -15.177 3.828 1.00 0.00 H new ATOM 669 N ALA A 44 1.506 -13.936 0.827 1.00 0.00 N ATOM 670 CA ALA A 44 0.298 -14.528 0.229 1.00 0.00 C ATOM 671 C ALA A 44 -1.033 -14.455 1.011 1.00 0.00 C ATOM 672 O ALA A 44 -1.953 -15.222 0.709 1.00 0.00 O ATOM 673 CB ALA A 44 0.614 -15.978 -0.175 1.00 0.00 C ATOM 0 H ALA A 44 2.015 -13.390 0.131 1.00 0.00 H new ATOM 0 HA ALA A 44 0.082 -13.882 -0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.271 -16.433 -0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.429 -15.985 -0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.908 -16.546 0.708 1.00 0.00 H new ATOM 708 N ILE A 48 1.446 -15.098 7.713 1.00 0.00 N ATOM 709 CA ILE A 48 2.851 -14.702 7.779 1.00 0.00 C ATOM 710 C ILE A 48 3.035 -13.237 7.333 1.00 0.00 C ATOM 711 O ILE A 48 2.926 -12.963 6.132 1.00 0.00 O ATOM 712 CB ILE A 48 3.677 -15.712 6.947 1.00 0.00 C ATOM 713 CG1 ILE A 48 3.590 -17.107 7.605 1.00 0.00 C ATOM 714 CG2 ILE A 48 5.143 -15.268 6.788 1.00 0.00 C ATOM 715 CD1 ILE A 48 4.262 -18.216 6.798 1.00 0.00 C ATOM 0 HA ILE A 48 3.214 -14.733 8.806 1.00 0.00 H new ATOM 0 HB ILE A 48 3.255 -15.756 5.943 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.049 -17.061 8.593 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.541 -17.363 7.752 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.685 -16.007 6.197 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.178 -14.303 6.283 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.605 -15.180 7.771 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.158 -19.164 7.326 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.789 -18.292 5.819 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.320 -17.985 6.672 1.00 0.00 H new ATOM 727 N PRO A 49 3.264 -12.290 8.260 1.00 0.00 N ATOM 728 CA PRO A 49 3.609 -10.913 7.945 1.00 0.00 C ATOM 729 C PRO A 49 5.101 -10.817 7.617 1.00 0.00 C ATOM 730 O PRO A 49 5.914 -11.529 8.216 1.00 0.00 O ATOM 731 CB PRO A 49 3.273 -10.131 9.216 1.00 0.00 C ATOM 732 CG PRO A 49 3.517 -11.130 10.341 1.00 0.00 C ATOM 733 CD PRO A 49 3.269 -12.491 9.701 1.00 0.00 C ATOM 0 HA PRO A 49 3.071 -10.526 7.080 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.906 -9.250 9.321 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.240 -9.783 9.209 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.533 -11.052 10.728 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.843 -10.957 11.180 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.046 -13.199 9.989 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.319 -12.907 10.035 1.00 0.00 H new ATOM 741 N ILE A 50 5.473 -9.902 6.720 1.00 0.00 N ATOM 742 CA ILE A 50 6.863 -9.590 6.415 1.00 0.00 C ATOM 743 C ILE A 50 7.183 -8.282 7.150 1.00 0.00 C ATOM 744 O ILE A 50 7.805 -8.357 8.214 1.00 0.00 O ATOM 745 CB ILE A 50 7.154 -9.707 4.884 1.00 0.00 C ATOM 746 CG1 ILE A 50 7.719 -11.107 4.542 1.00 0.00 C ATOM 747 CG2 ILE A 50 8.144 -8.671 4.340 1.00 0.00 C ATOM 748 CD1 ILE A 50 6.639 -12.184 4.441 1.00 0.00 C ATOM 0 H ILE A 50 4.805 -9.352 6.180 1.00 0.00 H new ATOM 0 HA ILE A 50 7.584 -10.316 6.790 1.00 0.00 H new ATOM 0 HB ILE A 50 6.188 -9.527 4.411 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.259 -11.053 3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.441 -11.396 5.305 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.285 -8.829 3.271 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.752 -7.668 4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.101 -8.778 4.852 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.101 -13.141 4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.115 -12.264 5.393 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.929 -11.916 3.658 1.00 0.00 H new ATOM 760 N PHE A 51 6.747 -7.107 6.681 1.00 0.00 N ATOM 761 CA PHE A 51 6.970 -5.852 7.398 1.00 0.00 C ATOM 762 C PHE A 51 5.882 -4.830 7.057 1.00 0.00 C ATOM 763 O PHE A 51 5.066 -5.063 6.154 1.00 0.00 O ATOM 764 CB PHE A 51 8.416 -5.339 7.177 1.00 0.00 C ATOM 765 CG PHE A 51 8.668 -4.331 6.064 1.00 0.00 C ATOM 766 CD1 PHE A 51 8.574 -4.693 4.709 1.00 0.00 C ATOM 767 CD2 PHE A 51 9.060 -3.021 6.388 1.00 0.00 C ATOM 768 CE1 PHE A 51 8.780 -3.736 3.698 1.00 0.00 C ATOM 769 CE2 PHE A 51 9.258 -2.063 5.379 1.00 0.00 C ATOM 770 CZ PHE A 51 9.079 -2.402 4.030 1.00 0.00 C ATOM 0 H PHE A 51 6.236 -7.002 5.804 1.00 0.00 H new ATOM 0 HA PHE A 51 6.883 -6.028 8.470 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.756 -4.892 8.112 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.050 -6.206 6.989 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.342 -5.713 4.442 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.211 -2.748 7.422 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.708 -4.028 2.661 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.550 -1.058 5.645 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.169 -1.651 3.259 1.00 0.00 H new ATOM 780 N GLU A 52 5.878 -3.708 7.777 1.00 0.00 N ATOM 781 CA GLU A 52 5.049 -2.541 7.498 1.00 0.00 C ATOM 782 C GLU A 52 5.943 -1.350 7.181 1.00 0.00 C ATOM 783 O GLU A 52 7.082 -1.270 7.648 1.00 0.00 O ATOM 784 CB GLU A 52 4.054 -2.250 8.636 1.00 0.00 C ATOM 785 CG GLU A 52 4.641 -2.025 10.042 1.00 0.00 C ATOM 786 CD GLU A 52 5.552 -0.800 10.201 1.00 0.00 C ATOM 787 OE1 GLU A 52 5.110 0.338 9.927 1.00 0.00 O ATOM 788 OE2 GLU A 52 6.695 -0.967 10.701 1.00 0.00 O ATOM 0 H GLU A 52 6.472 -3.585 8.597 1.00 0.00 H new ATOM 0 HA GLU A 52 4.432 -2.748 6.623 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.479 -1.365 8.364 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.352 -3.082 8.692 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.816 -1.934 10.749 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.206 -2.913 10.325 1.00 0.00 H new ATOM 795 N ASP A 53 5.427 -0.412 6.398 1.00 0.00 N ATOM 796 CA ASP A 53 6.123 0.807 6.039 1.00 0.00 C ATOM 797 C ASP A 53 5.104 1.936 5.917 1.00 0.00 C ATOM 798 O ASP A 53 3.892 1.707 5.896 1.00 0.00 O ATOM 799 CB ASP A 53 6.964 0.606 4.766 1.00 0.00 C ATOM 800 CG ASP A 53 8.227 1.480 4.751 1.00 0.00 C ATOM 801 OD1 ASP A 53 8.253 2.530 5.435 1.00 0.00 O ATOM 802 OD2 ASP A 53 9.224 1.138 4.061 1.00 0.00 O ATOM 0 H ASP A 53 4.495 -0.483 5.989 1.00 0.00 H new ATOM 0 HA ASP A 53 6.834 1.081 6.818 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.251 -0.443 4.686 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.355 0.838 3.892 1.00 0.00 H new ATOM 807 N PHE A 54 5.586 3.167 5.884 1.00 0.00 N ATOM 808 CA PHE A 54 4.776 4.364 5.797 1.00 0.00 C ATOM 809 C PHE A 54 5.454 5.307 4.820 1.00 0.00 C ATOM 810 O PHE A 54 6.656 5.173 4.576 1.00 0.00 O ATOM 811 CB PHE A 54 4.668 4.998 7.190 1.00 0.00 C ATOM 812 CG PHE A 54 3.245 5.094 7.680 1.00 0.00 C ATOM 813 CD1 PHE A 54 2.304 5.798 6.911 1.00 0.00 C ATOM 814 CD2 PHE A 54 2.860 4.504 8.899 1.00 0.00 C ATOM 815 CE1 PHE A 54 0.984 5.912 7.356 1.00 0.00 C ATOM 816 CE2 PHE A 54 1.548 4.680 9.370 1.00 0.00 C ATOM 817 CZ PHE A 54 0.623 5.414 8.614 1.00 0.00 C ATOM 0 H PHE A 54 6.586 3.364 5.918 1.00 0.00 H new ATOM 0 HA PHE A 54 3.768 4.140 5.448 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.252 4.410 7.898 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.107 5.995 7.165 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.600 6.251 5.976 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.568 3.920 9.468 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.242 6.384 6.729 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.252 4.250 10.315 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.368 5.595 9.002 1.00 0.00 H new ATOM 827 N VAL A 55 4.721 6.278 4.283 1.00 0.00 N ATOM 828 CA VAL A 55 5.278 7.282 3.387 1.00 0.00 C ATOM 829 C VAL A 55 4.952 8.672 3.950 1.00 0.00 C ATOM 830 O VAL A 55 4.299 8.767 4.990 1.00 0.00 O ATOM 831 CB VAL A 55 4.754 7.016 1.954 1.00 0.00 C ATOM 832 CG1 VAL A 55 5.855 6.384 1.101 1.00 0.00 C ATOM 833 CG2 VAL A 55 3.489 6.148 1.853 1.00 0.00 C ATOM 0 H VAL A 55 3.722 6.390 4.458 1.00 0.00 H new ATOM 0 HA VAL A 55 6.365 7.230 3.321 1.00 0.00 H new ATOM 0 HB VAL A 55 4.466 8.001 1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.476 6.201 0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.709 7.060 1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.166 5.440 1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.213 6.028 0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.683 5.169 2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.673 6.631 2.390 1.00 0.00 H new ATOM 843 N ASP A 56 5.336 9.735 3.236 1.00 0.00 N ATOM 844 CA ASP A 56 5.395 11.110 3.738 1.00 0.00 C ATOM 845 C ASP A 56 4.019 11.569 4.204 1.00 0.00 C ATOM 846 O ASP A 56 3.765 11.722 5.399 1.00 0.00 O ATOM 847 CB ASP A 56 5.944 12.056 2.644 1.00 0.00 C ATOM 848 CG ASP A 56 6.762 13.240 3.151 1.00 0.00 C ATOM 849 OD1 ASP A 56 6.546 13.701 4.299 1.00 0.00 O ATOM 850 OD2 ASP A 56 7.612 13.736 2.382 1.00 0.00 O ATOM 0 H ASP A 56 5.624 9.658 2.260 1.00 0.00 H new ATOM 0 HA ASP A 56 6.071 11.140 4.593 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.564 11.474 1.962 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.104 12.438 2.064 1.00 0.00 H new ATOM 855 N SER A 57 3.137 11.721 3.216 1.00 0.00 N ATOM 856 CA SER A 57 1.758 12.140 3.281 1.00 0.00 C ATOM 857 C SER A 57 1.176 12.188 1.890 1.00 0.00 C ATOM 858 O SER A 57 0.098 11.657 1.668 1.00 0.00 O ATOM 859 CB SER A 57 1.611 13.495 4.000 1.00 0.00 C ATOM 860 OG SER A 57 0.325 13.650 4.549 1.00 0.00 O ATOM 0 H SER A 57 3.412 11.530 2.253 1.00 0.00 H new ATOM 0 HA SER A 57 1.200 11.411 3.869 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.357 13.571 4.791 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.808 14.304 3.297 1.00 0.00 H new ATOM 0 HG SER A 57 0.238 13.083 5.344 1.00 0.00 H new ATOM 866 N SER A 58 1.921 12.697 0.917 1.00 0.00 N ATOM 867 CA SER A 58 1.395 12.903 -0.418 1.00 0.00 C ATOM 868 C SER A 58 2.455 12.425 -1.386 1.00 0.00 C ATOM 869 O SER A 58 2.852 13.098 -2.335 1.00 0.00 O ATOM 870 CB SER A 58 0.874 14.330 -0.588 1.00 0.00 C ATOM 871 OG SER A 58 1.890 15.302 -0.490 1.00 0.00 O ATOM 0 H SER A 58 2.896 12.975 1.033 1.00 0.00 H new ATOM 0 HA SER A 58 0.502 12.315 -0.628 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.385 14.419 -1.558 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.116 14.527 0.170 1.00 0.00 H new ATOM 0 HG SER A 58 1.683 16.053 -1.084 1.00 0.00 H new ATOM 877 N VAL A 59 2.945 11.227 -1.081 1.00 0.00 N ATOM 878 CA VAL A 59 3.876 10.538 -1.964 1.00 0.00 C ATOM 879 C VAL A 59 3.095 10.001 -3.169 1.00 0.00 C ATOM 880 O VAL A 59 2.116 9.273 -2.995 1.00 0.00 O ATOM 881 CB VAL A 59 4.587 9.443 -1.161 1.00 0.00 C ATOM 882 CG1 VAL A 59 5.448 8.542 -2.045 1.00 0.00 C ATOM 883 CG2 VAL A 59 5.504 10.086 -0.121 1.00 0.00 C ATOM 0 H VAL A 59 2.712 10.715 -0.230 1.00 0.00 H new ATOM 0 HA VAL A 59 4.647 11.204 -2.351 1.00 0.00 H new ATOM 0 HB VAL A 59 3.811 8.838 -0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.931 7.783 -1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.820 8.058 -2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.209 9.142 -2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.009 9.307 0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.246 10.706 -0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.912 10.704 0.554 1.00 0.00 H new ATOM 893 N GLY A 60 3.520 10.363 -4.385 1.00 0.00 N ATOM 894 CA GLY A 60 2.873 10.005 -5.652 1.00 0.00 C ATOM 895 C GLY A 60 3.595 8.900 -6.438 1.00 0.00 C ATOM 896 O GLY A 60 3.099 8.456 -7.476 1.00 0.00 O ATOM 0 H GLY A 60 4.354 10.934 -4.518 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.852 9.682 -5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.806 10.895 -6.277 1.00 0.00 H new ATOM 900 N TYR A 61 4.717 8.419 -5.901 1.00 0.00 N ATOM 901 CA TYR A 61 5.464 7.240 -6.330 1.00 0.00 C ATOM 902 C TYR A 61 6.318 6.799 -5.144 1.00 0.00 C ATOM 903 O TYR A 61 6.978 7.649 -4.544 1.00 0.00 O ATOM 904 CB TYR A 61 6.373 7.636 -7.492 1.00 0.00 C ATOM 905 CG TYR A 61 7.249 6.504 -7.961 1.00 0.00 C ATOM 906 CD1 TYR A 61 6.760 5.618 -8.930 1.00 0.00 C ATOM 907 CD2 TYR A 61 8.510 6.293 -7.380 1.00 0.00 C ATOM 908 CE1 TYR A 61 7.522 4.509 -9.312 1.00 0.00 C ATOM 909 CE2 TYR A 61 9.266 5.175 -7.764 1.00 0.00 C ATOM 910 CZ TYR A 61 8.787 4.272 -8.736 1.00 0.00 C ATOM 911 OH TYR A 61 9.549 3.206 -9.107 1.00 0.00 O ATOM 0 H TYR A 61 5.156 8.875 -5.101 1.00 0.00 H new ATOM 0 HA TYR A 61 4.800 6.437 -6.650 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.761 7.984 -8.324 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.001 8.473 -7.187 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.795 5.791 -9.382 1.00 0.00 H new ATOM 0 HD2 TYR A 61 8.894 6.985 -6.645 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.137 3.827 -10.056 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.230 5.003 -7.308 1.00 0.00 H new ATOM 0 HH TYR A 61 9.362 2.980 -10.042 1.00 0.00 H new ATOM 921 N TYR A 62 6.336 5.517 -4.801 1.00 0.00 N ATOM 922 CA TYR A 62 7.114 4.951 -3.700 1.00 0.00 C ATOM 923 C TYR A 62 7.758 3.675 -4.234 1.00 0.00 C ATOM 924 O TYR A 62 7.378 3.172 -5.290 1.00 0.00 O ATOM 925 CB TYR A 62 6.172 4.748 -2.494 1.00 0.00 C ATOM 926 CG TYR A 62 6.642 3.876 -1.337 1.00 0.00 C ATOM 927 CD1 TYR A 62 7.860 4.131 -0.670 1.00 0.00 C ATOM 928 CD2 TYR A 62 5.825 2.822 -0.884 1.00 0.00 C ATOM 929 CE1 TYR A 62 8.296 3.280 0.363 1.00 0.00 C ATOM 930 CE2 TYR A 62 6.271 1.955 0.116 1.00 0.00 C ATOM 931 CZ TYR A 62 7.527 2.151 0.715 1.00 0.00 C ATOM 932 OH TYR A 62 7.909 1.262 1.665 1.00 0.00 O ATOM 0 H TYR A 62 5.789 4.815 -5.299 1.00 0.00 H new ATOM 0 HA TYR A 62 7.915 5.597 -3.342 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.935 5.732 -2.091 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.241 4.325 -2.870 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.460 4.983 -0.954 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.844 2.683 -1.314 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.218 3.491 0.885 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.648 1.131 0.430 1.00 0.00 H new ATOM 0 HH TYR A 62 8.654 1.635 2.181 1.00 0.00 H new ATOM 942 N THR A 63 8.752 3.147 -3.537 1.00 0.00 N ATOM 943 CA THR A 63 9.358 1.857 -3.828 1.00 0.00 C ATOM 944 C THR A 63 9.679 1.215 -2.485 1.00 0.00 C ATOM 945 O THR A 63 10.024 1.914 -1.534 1.00 0.00 O ATOM 946 CB THR A 63 10.606 2.057 -4.705 1.00 0.00 C ATOM 947 OG1 THR A 63 10.212 2.583 -5.952 1.00 0.00 O ATOM 948 CG2 THR A 63 11.374 0.771 -5.011 1.00 0.00 C ATOM 0 H THR A 63 9.170 3.615 -2.733 1.00 0.00 H new ATOM 0 HA THR A 63 8.692 1.203 -4.391 1.00 0.00 H new ATOM 0 HB THR A 63 11.258 2.719 -4.135 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.035 3.543 -5.861 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.238 1.003 -5.634 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.710 0.317 -4.079 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.722 0.075 -5.539 1.00 0.00 H new ATOM 956 N VAL A 64 9.569 -0.104 -2.406 1.00 0.00 N ATOM 957 CA VAL A 64 9.898 -0.903 -1.237 1.00 0.00 C ATOM 958 C VAL A 64 11.138 -1.704 -1.599 1.00 0.00 C ATOM 959 O VAL A 64 11.237 -2.163 -2.740 1.00 0.00 O ATOM 960 CB VAL A 64 8.724 -1.829 -0.861 1.00 0.00 C ATOM 961 CG1 VAL A 64 8.757 -2.194 0.619 1.00 0.00 C ATOM 962 CG2 VAL A 64 7.351 -1.225 -1.170 1.00 0.00 C ATOM 0 H VAL A 64 9.234 -0.668 -3.187 1.00 0.00 H new ATOM 0 HA VAL A 64 10.085 -0.273 -0.367 1.00 0.00 H new ATOM 0 HB VAL A 64 8.857 -2.717 -1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.916 -2.848 0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.690 -2.709 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.688 -1.287 1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.570 -1.929 -0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.228 -0.297 -0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.276 -1.019 -2.238 1.00 0.00 H new ATOM 972 N THR A 65 12.033 -1.927 -0.641 1.00 0.00 N ATOM 973 CA THR A 65 13.179 -2.816 -0.805 1.00 0.00 C ATOM 974 C THR A 65 13.164 -3.796 0.384 1.00 0.00 C ATOM 975 O THR A 65 12.251 -3.770 1.220 1.00 0.00 O ATOM 976 CB THR A 65 14.475 -1.974 -0.888 1.00 0.00 C ATOM 977 OG1 THR A 65 14.266 -0.792 -1.639 1.00 0.00 O ATOM 978 CG2 THR A 65 15.674 -2.633 -1.577 1.00 0.00 C ATOM 0 H THR A 65 11.983 -1.491 0.280 1.00 0.00 H new ATOM 0 HA THR A 65 13.132 -3.392 -1.729 1.00 0.00 H new ATOM 0 HB THR A 65 14.705 -1.815 0.166 1.00 0.00 H new ATOM 0 HG1 THR A 65 15.098 -0.276 -1.676 1.00 0.00 H new ATOM 0 HG21 THR A 65 16.520 -1.945 -1.572 1.00 0.00 H new ATOM 0 HG22 THR A 65 15.944 -3.544 -1.044 1.00 0.00 H new ATOM 0 HG23 THR A 65 15.412 -2.879 -2.606 1.00 0.00 H new ATOM 986 N GLY A 66 14.157 -4.681 0.450 1.00 0.00 N ATOM 987 CA GLY A 66 14.285 -5.689 1.502 1.00 0.00 C ATOM 988 C GLY A 66 13.296 -6.833 1.363 1.00 0.00 C ATOM 989 O GLY A 66 13.124 -7.618 2.290 1.00 0.00 O ATOM 0 H GLY A 66 14.909 -4.719 -0.238 1.00 0.00 H new ATOM 0 HA2 GLY A 66 15.298 -6.091 1.489 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.144 -5.212 2.472 1.00 0.00 H new ATOM 993 N LEU A 67 12.639 -6.943 0.215 1.00 0.00 N ATOM 994 CA LEU A 67 11.854 -8.093 -0.161 1.00 0.00 C ATOM 995 C LEU A 67 12.799 -9.270 -0.435 1.00 0.00 C ATOM 996 O LEU A 67 14.017 -9.105 -0.571 1.00 0.00 O ATOM 997 CB LEU A 67 11.051 -7.702 -1.407 1.00 0.00 C ATOM 998 CG LEU A 67 9.634 -7.196 -1.094 1.00 0.00 C ATOM 999 CD1 LEU A 67 9.027 -6.580 -2.356 1.00 0.00 C ATOM 1000 CD2 LEU A 67 8.711 -8.310 -0.586 1.00 0.00 C ATOM 0 H LEU A 67 12.643 -6.210 -0.494 1.00 0.00 H new ATOM 0 HA LEU A 67 11.167 -8.401 0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.593 -6.927 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.981 -8.565 -2.069 1.00 0.00 H new ATOM 0 HG LEU A 67 9.721 -6.453 -0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.022 -6.220 -2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.647 -5.747 -2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.980 -7.334 -3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.723 -7.898 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.629 -9.089 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.124 -8.736 0.328 1.00 0.00 H new ATOM 1012 N GLU A 68 12.235 -10.469 -0.502 1.00 0.00 N ATOM 1013 CA GLU A 68 12.917 -11.719 -0.809 1.00 0.00 C ATOM 1014 C GLU A 68 12.104 -12.471 -1.882 1.00 0.00 C ATOM 1015 O GLU A 68 11.001 -12.944 -1.580 1.00 0.00 O ATOM 1016 CB GLU A 68 13.139 -12.523 0.487 1.00 0.00 C ATOM 1017 CG GLU A 68 14.526 -13.171 0.597 1.00 0.00 C ATOM 1018 CD GLU A 68 14.703 -14.393 -0.306 1.00 0.00 C ATOM 1019 OE1 GLU A 68 14.420 -15.529 0.150 1.00 0.00 O ATOM 1020 OE2 GLU A 68 15.164 -14.215 -1.453 1.00 0.00 O ATOM 0 H GLU A 68 11.238 -10.602 -0.335 1.00 0.00 H new ATOM 0 HA GLU A 68 13.909 -11.543 -1.224 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.991 -11.862 1.341 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.380 -13.303 0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.285 -12.430 0.345 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.699 -13.466 1.632 1.00 0.00 H new ATOM 1027 N PRO A 69 12.558 -12.504 -3.148 1.00 0.00 N ATOM 1028 CA PRO A 69 11.817 -13.114 -4.239 1.00 0.00 C ATOM 1029 C PRO A 69 11.813 -14.630 -4.089 1.00 0.00 C ATOM 1030 O PRO A 69 12.730 -15.221 -3.520 1.00 0.00 O ATOM 1031 CB PRO A 69 12.508 -12.648 -5.524 1.00 0.00 C ATOM 1032 CG PRO A 69 13.952 -12.434 -5.080 1.00 0.00 C ATOM 1033 CD PRO A 69 13.799 -11.938 -3.642 1.00 0.00 C ATOM 0 HA PRO A 69 10.768 -12.817 -4.250 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.435 -13.395 -6.315 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.065 -11.730 -5.911 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.530 -13.357 -5.129 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.463 -11.703 -5.707 1.00 0.00 H new ATOM 0 HD2 PRO A 69 14.643 -12.255 -3.029 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.771 -10.849 -3.607 1.00 0.00 H new ATOM 1041 N GLY A 70 10.778 -15.265 -4.628 1.00 0.00 N ATOM 1042 CA GLY A 70 10.530 -16.691 -4.570 1.00 0.00 C ATOM 1043 C GLY A 70 9.140 -16.934 -4.002 1.00 0.00 C ATOM 1044 O GLY A 70 8.364 -17.713 -4.556 1.00 0.00 O ATOM 0 H GLY A 70 10.053 -14.766 -5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.610 -17.127 -5.566 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.281 -17.178 -3.947 1.00 0.00 H new ATOM 1048 N ILE A 71 8.778 -16.213 -2.940 1.00 0.00 N ATOM 1049 CA ILE A 71 7.474 -16.342 -2.302 1.00 0.00 C ATOM 1050 C ILE A 71 6.459 -15.464 -3.063 1.00 0.00 C ATOM 1051 O ILE A 71 6.795 -14.661 -3.939 1.00 0.00 O ATOM 1052 CB ILE A 71 7.639 -16.109 -0.769 1.00 0.00 C ATOM 1053 CG1 ILE A 71 7.886 -17.453 -0.039 1.00 0.00 C ATOM 1054 CG2 ILE A 71 6.443 -15.462 -0.046 1.00 0.00 C ATOM 1055 CD1 ILE A 71 9.110 -18.255 -0.496 1.00 0.00 C ATOM 0 H ILE A 71 9.385 -15.522 -2.499 1.00 0.00 H new ATOM 0 HA ILE A 71 7.049 -17.344 -2.367 1.00 0.00 H new ATOM 0 HB ILE A 71 8.479 -15.416 -0.720 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.987 -17.250 1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.001 -18.078 -0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.675 -15.351 1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.243 -14.482 -0.479 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.563 -16.095 -0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.180 -19.174 0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.010 -18.501 -1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.011 -17.661 -0.345 1.00 0.00 H new ATOM 1067 N ASP A 72 5.184 -15.717 -2.786 1.00 0.00 N ATOM 1068 CA ASP A 72 3.994 -15.047 -3.301 1.00 0.00 C ATOM 1069 C ASP A 72 3.524 -14.089 -2.205 1.00 0.00 C ATOM 1070 O ASP A 72 3.590 -14.440 -1.024 1.00 0.00 O ATOM 1071 CB ASP A 72 2.965 -16.147 -3.585 1.00 0.00 C ATOM 1072 CG ASP A 72 1.774 -15.728 -4.443 1.00 0.00 C ATOM 1073 OD1 ASP A 72 1.967 -15.043 -5.468 1.00 0.00 O ATOM 1074 OD2 ASP A 72 0.682 -16.308 -4.240 1.00 0.00 O ATOM 0 H ASP A 72 4.935 -16.463 -2.137 1.00 0.00 H new ATOM 0 HA ASP A 72 4.163 -14.478 -4.215 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.472 -16.976 -4.079 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.590 -16.524 -2.633 1.00 0.00 H new ATOM 1079 N TYR A 73 3.113 -12.870 -2.545 1.00 0.00 N ATOM 1080 CA TYR A 73 3.068 -11.743 -1.618 1.00 0.00 C ATOM 1081 C TYR A 73 1.739 -10.996 -1.740 1.00 0.00 C ATOM 1082 O TYR A 73 1.264 -10.780 -2.851 1.00 0.00 O ATOM 1083 CB TYR A 73 4.249 -10.807 -1.931 1.00 0.00 C ATOM 1084 CG TYR A 73 5.578 -11.216 -1.325 1.00 0.00 C ATOM 1085 CD1 TYR A 73 6.438 -12.080 -2.028 1.00 0.00 C ATOM 1086 CD2 TYR A 73 5.977 -10.703 -0.076 1.00 0.00 C ATOM 1087 CE1 TYR A 73 7.694 -12.426 -1.491 1.00 0.00 C ATOM 1088 CE2 TYR A 73 7.219 -11.057 0.473 1.00 0.00 C ATOM 1089 CZ TYR A 73 8.088 -11.914 -0.233 1.00 0.00 C ATOM 1090 OH TYR A 73 9.298 -12.217 0.305 1.00 0.00 O ATOM 0 H TYR A 73 2.797 -12.634 -3.486 1.00 0.00 H new ATOM 0 HA TYR A 73 3.147 -12.105 -0.593 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.365 -10.745 -3.013 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.001 -9.806 -1.579 1.00 0.00 H new ATOM 0 HD1 TYR A 73 6.134 -12.480 -2.984 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.323 -10.033 0.463 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.355 -13.081 -2.039 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.510 -10.672 1.439 1.00 0.00 H new ATOM 0 HH TYR A 73 9.823 -12.733 -0.341 1.00 0.00 H new ATOM 1100 N ASP A 74 1.189 -10.518 -0.613 1.00 0.00 N ATOM 1101 CA ASP A 74 -0.033 -9.697 -0.544 1.00 0.00 C ATOM 1102 C ASP A 74 0.321 -8.265 -0.133 1.00 0.00 C ATOM 1103 O ASP A 74 0.393 -7.924 1.054 1.00 0.00 O ATOM 1104 CB ASP A 74 -1.065 -10.281 0.436 1.00 0.00 C ATOM 1105 CG ASP A 74 -2.160 -11.127 -0.196 1.00 0.00 C ATOM 1106 OD1 ASP A 74 -1.876 -12.228 -0.695 1.00 0.00 O ATOM 1107 OD2 ASP A 74 -3.338 -10.704 -0.118 1.00 0.00 O ATOM 0 H ASP A 74 1.594 -10.697 0.306 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.483 -9.695 -1.537 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.539 -10.889 1.172 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.532 -9.459 0.978 1.00 0.00 H new ATOM 1112 N ILE A 75 0.598 -7.412 -1.112 1.00 0.00 N ATOM 1113 CA ILE A 75 1.144 -6.086 -0.878 1.00 0.00 C ATOM 1114 C ILE A 75 -0.058 -5.204 -0.573 1.00 0.00 C ATOM 1115 O ILE A 75 -0.948 -5.001 -1.400 1.00 0.00 O ATOM 1116 CB ILE A 75 1.956 -5.601 -2.089 1.00 0.00 C ATOM 1117 CG1 ILE A 75 3.098 -6.559 -2.486 1.00 0.00 C ATOM 1118 CG2 ILE A 75 2.468 -4.172 -1.839 1.00 0.00 C ATOM 1119 CD1 ILE A 75 2.665 -7.564 -3.558 1.00 0.00 C ATOM 0 H ILE A 75 0.448 -7.626 -2.098 1.00 0.00 H new ATOM 0 HA ILE A 75 1.850 -6.067 -0.048 1.00 0.00 H new ATOM 0 HB ILE A 75 1.283 -5.591 -2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.944 -5.979 -2.855 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.441 -7.098 -1.603 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.043 -3.835 -2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.621 -3.504 -1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.104 -4.163 -0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.503 -8.217 -3.804 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.836 -8.164 -3.181 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.347 -7.028 -4.452 1.00 0.00 H new ATOM 1131 N SER A 76 -0.124 -4.762 0.674 1.00 0.00 N ATOM 1132 CA SER A 76 -1.284 -4.190 1.316 1.00 0.00 C ATOM 1133 C SER A 76 -1.027 -2.714 1.561 1.00 0.00 C ATOM 1134 O SER A 76 -0.050 -2.361 2.204 1.00 0.00 O ATOM 1135 CB SER A 76 -1.566 -4.978 2.605 1.00 0.00 C ATOM 1136 OG SER A 76 -1.505 -6.396 2.469 1.00 0.00 O ATOM 0 H SER A 76 0.683 -4.798 1.297 1.00 0.00 H new ATOM 0 HA SER A 76 -2.173 -4.261 0.690 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.849 -4.670 3.366 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.556 -4.705 2.971 1.00 0.00 H new ATOM 0 HG SER A 76 -0.653 -6.649 2.056 1.00 0.00 H new ATOM 1142 N VAL A 77 -1.895 -1.819 1.106 1.00 0.00 N ATOM 1143 CA VAL A 77 -1.696 -0.383 1.160 1.00 0.00 C ATOM 1144 C VAL A 77 -3.009 0.231 1.664 1.00 0.00 C ATOM 1145 O VAL A 77 -4.004 0.286 0.937 1.00 0.00 O ATOM 1146 CB VAL A 77 -1.244 0.133 -0.224 1.00 0.00 C ATOM 1147 CG1 VAL A 77 -0.851 1.618 -0.123 1.00 0.00 C ATOM 1148 CG2 VAL A 77 -0.116 -0.737 -0.837 1.00 0.00 C ATOM 0 H VAL A 77 -2.782 -2.084 0.677 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.901 -0.093 1.847 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.084 0.048 -0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.533 1.978 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.709 2.199 0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.033 1.730 0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.167 -0.334 -1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.750 -0.729 -0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.471 -1.760 -0.958 1.00 0.00 H new ATOM 1158 N ILE A 78 -3.033 0.637 2.936 1.00 0.00 N ATOM 1159 CA ILE A 78 -4.142 1.378 3.522 1.00 0.00 C ATOM 1160 C ILE A 78 -3.919 2.849 3.194 1.00 0.00 C ATOM 1161 O ILE A 78 -2.798 3.361 3.174 1.00 0.00 O ATOM 1162 CB ILE A 78 -4.242 1.132 5.047 1.00 0.00 C ATOM 1163 CG1 ILE A 78 -4.813 -0.277 5.292 1.00 0.00 C ATOM 1164 CG2 ILE A 78 -5.148 2.152 5.763 1.00 0.00 C ATOM 1165 CD1 ILE A 78 -4.968 -0.637 6.769 1.00 0.00 C ATOM 0 H ILE A 78 -2.273 0.456 3.591 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.092 1.042 3.107 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.236 1.238 5.453 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.786 -0.353 4.806 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.161 -1.010 4.817 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.178 1.927 6.829 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.752 3.157 5.615 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.156 2.095 5.352 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.376 -1.644 6.857 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.995 -0.595 7.258 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.645 0.071 7.247 1.00 0.00 H new ATOM 1177 N THR A 79 -5.022 3.541 2.957 1.00 0.00 N ATOM 1178 CA THR A 79 -5.103 4.979 2.827 1.00 0.00 C ATOM 1179 C THR A 79 -5.745 5.500 4.119 1.00 0.00 C ATOM 1180 O THR A 79 -6.758 4.932 4.528 1.00 0.00 O ATOM 1181 CB THR A 79 -5.982 5.240 1.591 1.00 0.00 C ATOM 1182 OG1 THR A 79 -5.637 4.408 0.494 1.00 0.00 O ATOM 1183 CG2 THR A 79 -5.937 6.693 1.159 1.00 0.00 C ATOM 0 H THR A 79 -5.929 3.087 2.845 1.00 0.00 H new ATOM 0 HA THR A 79 -4.143 5.478 2.694 1.00 0.00 H new ATOM 0 HB THR A 79 -6.999 4.996 1.898 1.00 0.00 H new ATOM 0 HG1 THR A 79 -6.264 3.657 0.443 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.571 6.832 0.284 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.296 7.325 1.971 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.912 6.967 0.911 1.00 0.00 H new ATOM 1191 N LEU A 80 -5.188 6.522 4.789 1.00 0.00 N ATOM 1192 CA LEU A 80 -5.746 7.027 6.033 1.00 0.00 C ATOM 1193 C LEU A 80 -5.868 8.545 5.948 1.00 0.00 C ATOM 1194 O LEU A 80 -5.095 9.193 5.240 1.00 0.00 O ATOM 1195 CB LEU A 80 -4.909 6.605 7.242 1.00 0.00 C ATOM 1196 CG LEU A 80 -3.380 6.538 7.073 1.00 0.00 C ATOM 1197 CD1 LEU A 80 -2.694 6.858 8.400 1.00 0.00 C ATOM 1198 CD2 LEU A 80 -2.919 5.166 6.571 1.00 0.00 C ATOM 0 H LEU A 80 -4.348 7.010 4.480 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.736 6.594 6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.125 7.297 8.056 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.254 5.621 7.560 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.100 7.278 6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.613 6.808 8.272 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.976 7.860 8.723 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.004 6.134 9.154 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.834 5.163 6.466 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.217 4.398 7.285 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.378 4.959 5.604 1.00 0.00 H new ATOM 1210 N ILE A 81 -6.850 9.117 6.646 1.00 0.00 N ATOM 1211 CA ILE A 81 -7.056 10.560 6.771 1.00 0.00 C ATOM 1212 C ILE A 81 -7.364 10.894 8.235 1.00 0.00 C ATOM 1213 O ILE A 81 -7.418 9.988 9.071 1.00 0.00 O ATOM 1214 CB ILE A 81 -8.139 11.082 5.789 1.00 0.00 C ATOM 1215 CG1 ILE A 81 -9.555 10.624 6.184 1.00 0.00 C ATOM 1216 CG2 ILE A 81 -7.831 10.676 4.339 1.00 0.00 C ATOM 1217 CD1 ILE A 81 -10.670 11.343 5.418 1.00 0.00 C ATOM 0 H ILE A 81 -7.545 8.572 7.156 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.142 11.081 6.485 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.113 12.170 5.855 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.642 9.551 6.012 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.696 10.788 7.252 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.611 11.059 3.681 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.868 11.092 4.041 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.795 9.589 4.265 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.639 10.969 5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.610 12.414 5.609 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.555 11.158 4.350 1.00 0.00 H new ATOM 1229 N ASN A 82 -7.582 12.181 8.530 1.00 0.00 N ATOM 1230 CA ASN A 82 -8.127 12.685 9.789 1.00 0.00 C ATOM 1231 C ASN A 82 -9.165 11.715 10.342 1.00 0.00 C ATOM 1232 O ASN A 82 -10.191 11.519 9.691 1.00 0.00 O ATOM 1233 CB ASN A 82 -8.792 14.053 9.555 1.00 0.00 C ATOM 1234 CG ASN A 82 -9.719 14.450 10.701 1.00 0.00 C ATOM 1235 OD1 ASN A 82 -10.957 13.995 10.659 1.00 0.00 O flip ATOM 1236 ND2 ASN A 82 -9.317 15.130 11.646 1.00 0.00 N flip ATOM 0 H ASN A 82 -7.374 12.928 7.868 1.00 0.00 H new ATOM 0 HA ASN A 82 -7.312 12.787 10.506 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -8.021 14.814 9.434 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.359 14.024 8.625 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -8.356 15.471 11.657 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -9.945 15.352 12.418 1.00 0.00 H new ATOM 1243 N GLY A 83 -8.887 11.143 11.521 1.00 0.00 N ATOM 1244 CA GLY A 83 -9.765 10.217 12.226 1.00 0.00 C ATOM 1245 C GLY A 83 -10.477 9.260 11.274 1.00 0.00 C ATOM 1246 O GLY A 83 -11.701 9.154 11.333 1.00 0.00 O ATOM 0 H GLY A 83 -8.016 11.322 12.021 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.182 9.643 12.946 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.506 10.781 12.793 1.00 0.00 H new ATOM 1250 N GLY A 84 -9.753 8.650 10.333 1.00 0.00 N ATOM 1251 CA GLY A 84 -10.363 7.980 9.204 1.00 0.00 C ATOM 1252 C GLY A 84 -9.402 6.981 8.570 1.00 0.00 C ATOM 1253 O GLY A 84 -8.179 7.096 8.687 1.00 0.00 O ATOM 0 H GLY A 84 -8.734 8.612 10.340 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.266 7.464 9.529 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.667 8.717 8.461 1.00 0.00 H new ATOM 1257 N GLU A 85 -9.961 5.982 7.897 1.00 0.00 N ATOM 1258 CA GLU A 85 -9.254 4.887 7.249 1.00 0.00 C ATOM 1259 C GLU A 85 -10.141 4.456 6.081 1.00 0.00 C ATOM 1260 O GLU A 85 -11.352 4.288 6.260 1.00 0.00 O ATOM 1261 CB GLU A 85 -8.998 3.753 8.267 1.00 0.00 C ATOM 1262 CG GLU A 85 -8.084 2.664 7.685 1.00 0.00 C ATOM 1263 CD GLU A 85 -7.490 1.717 8.740 1.00 0.00 C ATOM 1264 OE1 GLU A 85 -6.569 2.136 9.483 1.00 0.00 O ATOM 1265 OE2 GLU A 85 -7.866 0.526 8.827 1.00 0.00 O ATOM 0 H GLU A 85 -10.972 5.912 7.784 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.270 5.175 6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.543 4.167 9.167 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.948 3.310 8.565 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.650 2.077 6.962 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.269 3.141 7.140 1.00 0.00 H new ATOM 1272 N SER A 86 -9.577 4.382 4.878 1.00 0.00 N ATOM 1273 CA SER A 86 -10.270 3.860 3.713 1.00 0.00 C ATOM 1274 C SER A 86 -10.124 2.335 3.683 1.00 0.00 C ATOM 1275 O SER A 86 -9.483 1.740 4.551 1.00 0.00 O ATOM 1276 CB SER A 86 -9.729 4.495 2.427 1.00 0.00 C ATOM 1277 OG SER A 86 -9.191 5.798 2.603 1.00 0.00 O ATOM 0 H SER A 86 -8.622 4.685 4.688 1.00 0.00 H new ATOM 0 HA SER A 86 -11.328 4.113 3.778 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.956 3.848 2.013 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.533 4.542 1.692 1.00 0.00 H new ATOM 0 HG SER A 86 -9.265 6.299 1.764 1.00 0.00 H new ATOM 1283 N ALA A 87 -10.680 1.700 2.648 1.00 0.00 N ATOM 1284 CA ALA A 87 -10.568 0.256 2.499 1.00 0.00 C ATOM 1285 C ALA A 87 -9.092 -0.161 2.426 1.00 0.00 C ATOM 1286 O ALA A 87 -8.302 0.528 1.771 1.00 0.00 O ATOM 1287 CB ALA A 87 -11.312 -0.209 1.245 1.00 0.00 C ATOM 0 H ALA A 87 -11.208 2.163 1.908 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.021 -0.218 3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.219 -1.291 1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.365 0.059 1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.882 0.273 0.367 1.00 0.00 H new ATOM 1293 N PRO A 88 -8.710 -1.297 3.036 1.00 0.00 N ATOM 1294 CA PRO A 88 -7.393 -1.875 2.867 1.00 0.00 C ATOM 1295 C PRO A 88 -7.282 -2.425 1.447 1.00 0.00 C ATOM 1296 O PRO A 88 -7.738 -3.535 1.164 1.00 0.00 O ATOM 1297 CB PRO A 88 -7.272 -2.963 3.943 1.00 0.00 C ATOM 1298 CG PRO A 88 -8.718 -3.403 4.171 1.00 0.00 C ATOM 1299 CD PRO A 88 -9.531 -2.140 3.895 1.00 0.00 C ATOM 0 HA PRO A 88 -6.581 -1.158 2.987 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.649 -3.792 3.607 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.822 -2.575 4.857 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.000 -4.215 3.500 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.871 -3.763 5.188 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.475 -2.385 3.409 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -9.775 -1.625 4.824 1.00 0.00 H new ATOM 1307 N THR A 89 -6.637 -1.687 0.550 1.00 0.00 N ATOM 1308 CA THR A 89 -6.439 -2.160 -0.805 1.00 0.00 C ATOM 1309 C THR A 89 -5.208 -3.044 -0.751 1.00 0.00 C ATOM 1310 O THR A 89 -4.170 -2.637 -0.239 1.00 0.00 O ATOM 1311 CB THR A 89 -6.315 -0.966 -1.756 1.00 0.00 C ATOM 1312 OG1 THR A 89 -7.606 -0.405 -1.881 1.00 0.00 O ATOM 1313 CG2 THR A 89 -5.826 -1.371 -3.149 1.00 0.00 C ATOM 0 H THR A 89 -6.246 -0.764 0.740 1.00 0.00 H new ATOM 0 HA THR A 89 -7.277 -2.740 -1.193 1.00 0.00 H new ATOM 0 HB THR A 89 -5.585 -0.266 -1.348 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.570 0.367 -2.483 1.00 0.00 H new ATOM 0 HG21 THR A 89 -5.756 -0.486 -3.782 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.844 -1.838 -3.069 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.529 -2.078 -3.590 1.00 0.00 H new ATOM 1321 N THR A 90 -5.332 -4.276 -1.225 1.00 0.00 N ATOM 1322 CA THR A 90 -4.214 -5.188 -1.385 1.00 0.00 C ATOM 1323 C THR A 90 -4.233 -5.642 -2.846 1.00 0.00 C ATOM 1324 O THR A 90 -5.276 -5.561 -3.508 1.00 0.00 O ATOM 1325 CB THR A 90 -4.328 -6.326 -0.348 1.00 0.00 C ATOM 1326 OG1 THR A 90 -4.535 -5.789 0.959 1.00 0.00 O ATOM 1327 CG2 THR A 90 -3.097 -7.224 -0.268 1.00 0.00 C ATOM 0 H THR A 90 -6.226 -4.673 -1.513 1.00 0.00 H new ATOM 0 HA THR A 90 -3.245 -4.729 -1.189 1.00 0.00 H new ATOM 0 HB THR A 90 -5.171 -6.927 -0.687 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.607 -6.522 1.606 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.259 -7.997 0.483 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.924 -7.691 -1.238 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.228 -6.626 0.007 1.00 0.00 H new ATOM 1335 N LEU A 91 -3.080 -6.052 -3.363 1.00 0.00 N ATOM 1336 CA LEU A 91 -2.912 -6.701 -4.654 1.00 0.00 C ATOM 1337 C LEU A 91 -1.861 -7.794 -4.428 1.00 0.00 C ATOM 1338 O LEU A 91 -0.906 -7.567 -3.676 1.00 0.00 O ATOM 1339 CB LEU A 91 -2.463 -5.678 -5.716 1.00 0.00 C ATOM 1340 CG LEU A 91 -3.580 -5.028 -6.550 1.00 0.00 C ATOM 1341 CD1 LEU A 91 -3.000 -3.859 -7.357 1.00 0.00 C ATOM 1342 CD2 LEU A 91 -4.217 -6.024 -7.522 1.00 0.00 C ATOM 0 H LEU A 91 -2.196 -5.934 -2.868 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.842 -7.130 -5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.905 -4.887 -5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.771 -6.173 -6.397 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.348 -4.680 -5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.791 -3.398 -7.949 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.578 -3.120 -6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.218 -4.228 -8.021 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.001 -5.525 -8.092 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.457 -6.403 -8.205 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.648 -6.854 -6.962 1.00 0.00 H new ATOM 1354 N THR A 92 -2.010 -8.966 -5.045 1.00 0.00 N ATOM 1355 CA THR A 92 -0.973 -9.993 -5.005 1.00 0.00 C ATOM 1356 C THR A 92 0.143 -9.604 -5.995 1.00 0.00 C ATOM 1357 O THR A 92 -0.151 -9.091 -7.080 1.00 0.00 O ATOM 1358 CB THR A 92 -1.581 -11.367 -5.363 1.00 0.00 C ATOM 1359 OG1 THR A 92 -2.534 -11.786 -4.400 1.00 0.00 O ATOM 1360 CG2 THR A 92 -0.536 -12.486 -5.423 1.00 0.00 C ATOM 0 H THR A 92 -2.840 -9.227 -5.578 1.00 0.00 H new ATOM 0 HA THR A 92 -0.550 -10.067 -4.003 1.00 0.00 H new ATOM 0 HB THR A 92 -2.034 -11.214 -6.342 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.899 -12.658 -4.659 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.024 -13.426 -5.679 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.210 -12.247 -6.181 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.050 -12.582 -4.452 1.00 0.00 H new ATOM 1368 N GLN A 93 1.406 -9.931 -5.702 1.00 0.00 N ATOM 1369 CA GLN A 93 2.461 -10.141 -6.699 1.00 0.00 C ATOM 1370 C GLN A 93 3.294 -11.354 -6.282 1.00 0.00 C ATOM 1371 O GLN A 93 3.347 -11.703 -5.106 1.00 0.00 O ATOM 1372 CB GLN A 93 3.396 -8.922 -6.827 1.00 0.00 C ATOM 1373 CG GLN A 93 2.811 -7.747 -7.621 1.00 0.00 C ATOM 1374 CD GLN A 93 2.645 -8.031 -9.114 1.00 0.00 C ATOM 1375 OE1 GLN A 93 1.654 -7.639 -9.729 1.00 0.00 O ATOM 1376 NE2 GLN A 93 3.606 -8.687 -9.749 1.00 0.00 N ATOM 0 H GLN A 93 1.730 -10.060 -4.744 1.00 0.00 H new ATOM 0 HA GLN A 93 1.981 -10.297 -7.665 1.00 0.00 H new ATOM 0 HB2 GLN A 93 3.656 -8.574 -5.827 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.323 -9.240 -7.305 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.840 -7.485 -7.201 1.00 0.00 H new ATOM 0 HG3 GLN A 93 3.458 -6.879 -7.496 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.427 -9.011 -9.237 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.525 -8.868 -10.750 1.00 0.00 H new ATOM 1385 N GLN A 94 3.977 -11.960 -7.249 1.00 0.00 N ATOM 1386 CA GLN A 94 4.918 -13.042 -7.065 1.00 0.00 C ATOM 1387 C GLN A 94 6.246 -12.658 -7.701 1.00 0.00 C ATOM 1388 O GLN A 94 6.235 -12.101 -8.798 1.00 0.00 O ATOM 1389 CB GLN A 94 4.315 -14.249 -7.769 1.00 0.00 C ATOM 1390 CG GLN A 94 4.830 -15.595 -7.265 1.00 0.00 C ATOM 1391 CD GLN A 94 4.021 -16.717 -7.899 1.00 0.00 C ATOM 1392 OE1 GLN A 94 4.463 -17.371 -8.846 1.00 0.00 O ATOM 1393 NE2 GLN A 94 2.822 -16.955 -7.406 1.00 0.00 N ATOM 0 H GLN A 94 3.879 -11.691 -8.228 1.00 0.00 H new ATOM 0 HA GLN A 94 5.100 -13.259 -6.012 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.232 -14.220 -7.650 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.520 -14.172 -8.837 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.885 -15.708 -7.513 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.750 -15.643 -6.179 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.474 -16.403 -6.622 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.242 -17.691 -7.808 1.00 0.00 H new ATOM 1402 N THR A 95 7.357 -13.069 -7.085 1.00 0.00 N ATOM 1403 CA THR A 95 8.698 -13.059 -7.671 1.00 0.00 C ATOM 1404 C THR A 95 9.010 -11.751 -8.404 1.00 0.00 C ATOM 1405 O THR A 95 8.776 -10.686 -7.796 1.00 0.00 O ATOM 1406 CB THR A 95 8.904 -14.347 -8.500 1.00 0.00 C ATOM 1407 OG1 THR A 95 7.778 -14.664 -9.306 1.00 0.00 O ATOM 1408 CG2 THR A 95 9.161 -15.537 -7.573 1.00 0.00 C ATOM 1409 OXT THR A 95 9.515 -11.810 -9.548 1.00 0.00 O ATOM 0 H THR A 95 7.346 -13.430 -6.131 1.00 0.00 H new ATOM 0 HA THR A 95 9.446 -13.077 -6.878 1.00 0.00 H new ATOM 0 HB THR A 95 9.759 -14.158 -9.149 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.958 -15.484 -9.811 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.304 -16.438 -8.169 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.055 -15.349 -6.979 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.307 -15.673 -6.910 1.00 0.00 H new