USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 382 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 12 SER OG : rot 180:sc= 0.139 USER MOD Set 1.2: A 15 GLN : amide:sc= -0.23 X(o=-0.091,f=0.082) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 8 THR OG1 : rot -23:sc= 0.0804 USER MOD Single : A 9 SER OG : rot 180:sc=-0.00474 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0153 K(o=-0.015,f=-1.4) USER MOD Single : B 33 ASN : amide:sc= 0.259 K(o=0.26,f=-3.4!) USER MOD Single : B 34 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : B 35 HIS : no HE2:sc= 0.567 K(o=0.57,f=-2!) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc= -0.0175 X(o=-0.017,f=0) USER MOD Single : B 46 TYR OH : rot -30:sc= 2.01 USER MOD Single : B 52 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : B 56 TYR OH : rot 180:sc= 0 USER MOD Single : B 57 THR OG1 : rot 88:sc= 1.05 USER MOD Single : B 59 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0047) USER MOD Single : B 60 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.258 2.132 -0.217 1.00 25.00 N ATOM 2 CA GLY A 1 2.563 0.790 -0.416 1.00 25.00 C ATOM 3 C GLY A 1 3.388 -0.382 -0.832 1.00 25.00 C ATOM 4 O GLY A 1 3.016 -1.210 -1.612 1.00 25.00 O ATOM 0 H1 GLY A 1 2.558 2.846 0.070 1.00 25.00 H new ATOM 0 H2 GLY A 1 3.983 2.041 0.523 1.00 25.00 H new ATOM 0 H3 GLY A 1 3.707 2.426 -1.108 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.067 0.531 0.519 1.00 25.00 H new ATOM 0 HA3 GLY A 1 1.782 0.928 -1.164 1.00 25.00 H new ATOM 9 N ILE A 2 4.599 -0.442 -0.288 1.00 25.00 N ATOM 10 CA ILE A 2 5.577 -1.510 -0.560 1.00 25.00 C ATOM 11 C ILE A 2 5.004 -2.898 -0.337 1.00 25.00 C ATOM 12 O ILE A 2 5.194 -3.803 -1.142 1.00 25.00 O ATOM 13 CB ILE A 2 6.964 -1.316 0.323 1.00 25.00 C ATOM 14 CG1 ILE A 2 7.934 -2.510 0.124 1.00 25.00 C ATOM 15 CG2 ILE A 2 6.695 -1.097 1.848 1.00 25.00 C ATOM 16 CD1 ILE A 2 9.319 -2.347 0.697 1.00 25.00 C ATOM 0 H ILE A 2 4.943 0.260 0.368 1.00 25.00 H new ATOM 0 HA ILE A 2 5.826 -1.422 -1.618 1.00 25.00 H new ATOM 0 HB ILE A 2 7.431 -0.408 -0.058 1.00 25.00 H new ATOM 0 HG12 ILE A 2 7.482 -3.396 0.569 1.00 25.00 H new ATOM 0 HG13 ILE A 2 8.026 -2.702 -0.945 1.00 25.00 H new ATOM 0 HG21 ILE A 2 7.644 -0.977 2.371 1.00 25.00 H new ATOM 0 HG22 ILE A 2 6.088 -0.202 1.986 1.00 25.00 H new ATOM 0 HG23 ILE A 2 6.165 -1.960 2.252 1.00 25.00 H new ATOM 0 HD11 ILE A 2 9.904 -3.244 0.496 1.00 25.00 H new ATOM 0 HD12 ILE A 2 9.804 -1.487 0.236 1.00 25.00 H new ATOM 0 HD13 ILE A 2 9.251 -2.192 1.774 1.00 25.00 H new ATOM 28 N VAL A 3 4.295 -3.102 0.780 1.00 25.00 N ATOM 29 CA VAL A 3 3.650 -4.428 1.016 1.00 25.00 C ATOM 30 C VAL A 3 2.705 -4.833 -0.094 1.00 25.00 C ATOM 31 O VAL A 3 2.834 -5.892 -0.647 1.00 25.00 O ATOM 32 CB VAL A 3 2.927 -4.397 2.380 1.00 25.00 C ATOM 33 CG1 VAL A 3 2.151 -5.705 2.667 1.00 25.00 C ATOM 34 CG2 VAL A 3 3.954 -4.211 3.541 1.00 25.00 C ATOM 0 H VAL A 3 4.149 -2.409 1.514 1.00 25.00 H new ATOM 0 HA VAL A 3 4.433 -5.186 1.026 1.00 25.00 H new ATOM 0 HB VAL A 3 2.228 -3.562 2.329 1.00 25.00 H new ATOM 0 HG11 VAL A 3 1.661 -5.632 3.638 1.00 25.00 H new ATOM 0 HG12 VAL A 3 1.400 -5.860 1.892 1.00 25.00 H new ATOM 0 HG13 VAL A 3 2.845 -6.546 2.673 1.00 25.00 H new ATOM 0 HG21 VAL A 3 3.426 -4.192 4.494 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.663 -5.039 3.536 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.491 -3.272 3.405 1.00 25.00 H new ATOM 44 N GLU A 4 1.767 -3.951 -0.506 1.00 25.00 N ATOM 45 CA GLU A 4 0.831 -4.306 -1.576 1.00 25.00 C ATOM 46 C GLU A 4 1.577 -4.412 -2.916 1.00 25.00 C ATOM 47 O GLU A 4 1.128 -5.108 -3.814 1.00 25.00 O ATOM 48 CB GLU A 4 -0.358 -3.290 -1.739 1.00 25.00 C ATOM 49 CG GLU A 4 0.015 -1.900 -2.189 1.00 25.00 C ATOM 50 CD GLU A 4 -1.189 -1.049 -2.398 1.00 25.00 C ATOM 51 OE1 GLU A 4 -2.022 -0.882 -1.550 1.00 25.00 O ATOM 52 OE2 GLU A 4 -1.250 -0.489 -3.569 1.00 25.00 O ATOM 0 H GLU A 4 1.645 -3.014 -0.121 1.00 25.00 H new ATOM 0 HA GLU A 4 0.400 -5.265 -1.289 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.067 -3.704 -2.456 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.878 -3.214 -0.784 1.00 25.00 H new ATOM 0 HG2 GLU A 4 0.663 -1.438 -1.444 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.585 -1.958 -3.116 1.00 25.00 H new ATOM 60 N GLN A 5 2.679 -3.713 -3.050 1.00 25.00 N ATOM 61 CA GLN A 5 3.449 -3.709 -4.279 1.00 25.00 C ATOM 62 C GLN A 5 4.193 -5.028 -4.503 1.00 25.00 C ATOM 63 O GLN A 5 4.319 -5.534 -5.600 1.00 25.00 O ATOM 64 CB GLN A 5 4.459 -2.575 -4.204 1.00 25.00 C ATOM 65 CG GLN A 5 5.047 -2.139 -5.564 1.00 25.00 C ATOM 66 CD GLN A 5 4.183 -1.128 -6.248 1.00 25.00 C ATOM 67 OE1 GLN A 5 3.153 -1.451 -6.774 1.00 25.00 O ATOM 68 NE2 GLN A 5 4.605 0.108 -6.234 1.00 25.00 N ATOM 0 H GLN A 5 3.071 -3.129 -2.311 1.00 25.00 H new ATOM 0 HA GLN A 5 2.760 -3.577 -5.113 1.00 25.00 H new ATOM 0 HB2 GLN A 5 3.982 -1.713 -3.737 1.00 25.00 H new ATOM 0 HB3 GLN A 5 5.277 -2.879 -3.551 1.00 25.00 H new ATOM 0 HG2 GLN A 5 6.043 -1.722 -5.412 1.00 25.00 H new ATOM 0 HG3 GLN A 5 5.162 -3.012 -6.206 1.00 25.00 H new ATOM 0 HE21 GLN A 5 5.486 0.341 -5.776 1.00 25.00 H new ATOM 0 HE22 GLN A 5 4.053 0.840 -6.681 1.00 25.00 H new ATOM 77 N CYS A 6 4.714 -5.574 -3.396 1.00 25.00 N ATOM 78 CA CYS A 6 5.551 -6.749 -3.417 1.00 25.00 C ATOM 79 C CYS A 6 4.795 -8.060 -3.212 1.00 25.00 C ATOM 80 O CYS A 6 5.083 -9.071 -3.848 1.00 25.00 O ATOM 81 CB CYS A 6 6.558 -6.603 -2.255 1.00 25.00 C ATOM 82 SG CYS A 6 7.785 -7.980 -2.098 1.00 25.00 S ATOM 0 H CYS A 6 4.557 -5.199 -2.461 1.00 25.00 H new ATOM 0 HA CYS A 6 6.014 -6.804 -4.402 1.00 25.00 H new ATOM 0 HB2 CYS A 6 7.101 -5.666 -2.382 1.00 25.00 H new ATOM 0 HB3 CYS A 6 6.002 -6.525 -1.321 1.00 25.00 H new ATOM 87 N CYS A 7 3.807 -8.055 -2.346 1.00 25.00 N ATOM 88 CA CYS A 7 3.002 -9.233 -2.043 1.00 25.00 C ATOM 89 C CYS A 7 2.219 -9.792 -3.219 1.00 25.00 C ATOM 90 O CYS A 7 1.896 -10.980 -3.238 1.00 25.00 O ATOM 91 CB CYS A 7 2.054 -8.895 -0.895 1.00 25.00 C ATOM 92 SG CYS A 7 1.338 -10.343 -0.048 1.00 25.00 S ATOM 0 H CYS A 7 3.530 -7.225 -1.821 1.00 25.00 H new ATOM 0 HA CYS A 7 3.701 -10.023 -1.768 1.00 25.00 H new ATOM 0 HB2 CYS A 7 2.592 -8.292 -0.163 1.00 25.00 H new ATOM 0 HB3 CYS A 7 1.242 -8.279 -1.281 1.00 25.00 H new ATOM 97 N THR A 8 1.945 -8.953 -4.221 1.00 25.00 N ATOM 98 CA THR A 8 1.182 -9.435 -5.352 1.00 25.00 C ATOM 99 C THR A 8 2.089 -10.082 -6.428 1.00 25.00 C ATOM 100 O THR A 8 1.622 -10.633 -7.425 1.00 25.00 O ATOM 101 CB THR A 8 0.333 -8.279 -5.867 1.00 25.00 C ATOM 102 OG1 THR A 8 -0.618 -8.746 -6.822 1.00 25.00 O ATOM 103 CG2 THR A 8 1.177 -7.159 -6.447 1.00 25.00 C ATOM 0 H THR A 8 2.231 -7.975 -4.266 1.00 25.00 H new ATOM 0 HA THR A 8 0.515 -10.243 -5.051 1.00 25.00 H new ATOM 0 HB THR A 8 -0.201 -7.863 -5.013 1.00 25.00 H new ATOM 0 HG1 THR A 8 -0.300 -9.585 -7.217 1.00 25.00 H new ATOM 0 HG21 THR A 8 0.527 -6.359 -6.800 1.00 25.00 H new ATOM 0 HG22 THR A 8 1.845 -6.771 -5.678 1.00 25.00 H new ATOM 0 HG23 THR A 8 1.767 -7.542 -7.280 1.00 25.00 H new ATOM 111 N SER A 9 3.385 -10.018 -6.234 1.00 25.00 N ATOM 112 CA SER A 9 4.298 -10.530 -7.222 1.00 25.00 C ATOM 113 C SER A 9 5.446 -11.298 -6.567 1.00 25.00 C ATOM 114 O SER A 9 5.492 -11.466 -5.349 1.00 25.00 O ATOM 115 CB SER A 9 4.867 -9.380 -8.035 1.00 25.00 C ATOM 116 OG SER A 9 3.787 -8.601 -8.502 1.00 25.00 O ATOM 0 H SER A 9 3.827 -9.619 -5.406 1.00 25.00 H new ATOM 0 HA SER A 9 3.749 -11.213 -7.870 1.00 25.00 H new ATOM 0 HB2 SER A 9 5.537 -8.775 -7.423 1.00 25.00 H new ATOM 0 HB3 SER A 9 5.454 -9.758 -8.872 1.00 25.00 H new ATOM 0 HG SER A 9 4.130 -7.850 -9.030 1.00 25.00 H new ATOM 122 N ILE A 10 6.383 -11.795 -7.373 1.00 25.00 N ATOM 123 CA ILE A 10 7.634 -12.353 -6.850 1.00 25.00 C ATOM 124 C ILE A 10 8.569 -11.146 -6.794 1.00 25.00 C ATOM 125 O ILE A 10 8.875 -10.530 -7.847 1.00 25.00 O ATOM 126 CB ILE A 10 8.241 -13.500 -7.772 1.00 25.00 C ATOM 127 CG1 ILE A 10 7.437 -14.809 -7.661 1.00 25.00 C ATOM 128 CG2 ILE A 10 9.730 -13.765 -7.431 1.00 25.00 C ATOM 129 CD1 ILE A 10 7.479 -15.597 -6.280 1.00 25.00 C ATOM 0 H ILE A 10 6.302 -11.824 -8.389 1.00 25.00 H new ATOM 0 HA ILE A 10 7.484 -12.836 -5.885 1.00 25.00 H new ATOM 0 HB ILE A 10 8.174 -13.145 -8.801 1.00 25.00 H new ATOM 0 HG12 ILE A 10 6.395 -14.580 -7.883 1.00 25.00 H new ATOM 0 HG13 ILE A 10 7.789 -15.484 -8.441 1.00 25.00 H new ATOM 0 HG21 ILE A 10 10.117 -14.553 -8.077 1.00 25.00 H new ATOM 0 HG22 ILE A 10 10.307 -12.853 -7.586 1.00 25.00 H new ATOM 0 HG23 ILE A 10 9.815 -14.075 -6.390 1.00 25.00 H new ATOM 0 HD11 ILE A 10 6.867 -16.496 -6.355 1.00 25.00 H new ATOM 0 HD12 ILE A 10 8.507 -15.877 -6.052 1.00 25.00 H new ATOM 0 HD13 ILE A 10 7.092 -14.959 -5.485 1.00 25.00 H new ATOM 141 N CYS A 11 8.979 -10.749 -5.607 1.00 25.00 N ATOM 142 CA CYS A 11 9.877 -9.594 -5.429 1.00 25.00 C ATOM 143 C CYS A 11 11.316 -9.954 -5.876 1.00 25.00 C ATOM 144 O CYS A 11 11.978 -10.757 -5.240 1.00 25.00 O ATOM 145 CB CYS A 11 9.853 -9.197 -3.938 1.00 25.00 C ATOM 146 SG CYS A 11 9.023 -7.606 -3.632 1.00 25.00 S ATOM 0 H CYS A 11 8.709 -11.205 -4.735 1.00 25.00 H new ATOM 0 HA CYS A 11 9.542 -8.758 -6.043 1.00 25.00 H new ATOM 0 HB2 CYS A 11 9.348 -9.978 -3.369 1.00 25.00 H new ATOM 0 HB3 CYS A 11 10.876 -9.143 -3.567 1.00 25.00 H new ATOM 151 N SER A 12 11.795 -9.350 -6.925 1.00 25.00 N ATOM 152 CA SER A 12 13.157 -9.555 -7.322 1.00 25.00 C ATOM 153 C SER A 12 14.019 -8.895 -6.249 1.00 25.00 C ATOM 154 O SER A 12 13.687 -7.821 -5.814 1.00 25.00 O ATOM 155 CB SER A 12 13.423 -8.931 -8.686 1.00 25.00 C ATOM 156 OG SER A 12 12.246 -8.282 -9.200 1.00 25.00 O ATOM 0 H SER A 12 11.264 -8.713 -7.519 1.00 25.00 H new ATOM 0 HA SER A 12 13.384 -10.617 -7.413 1.00 25.00 H new ATOM 0 HB2 SER A 12 14.235 -8.208 -8.606 1.00 25.00 H new ATOM 0 HB3 SER A 12 13.751 -9.702 -9.384 1.00 25.00 H new ATOM 0 HG SER A 12 12.445 -7.889 -10.075 1.00 25.00 H new ATOM 162 N LEU A 13 15.074 -9.520 -5.820 1.00 25.00 N ATOM 163 CA LEU A 13 15.955 -8.890 -4.787 1.00 25.00 C ATOM 164 C LEU A 13 16.681 -7.708 -5.352 1.00 25.00 C ATOM 165 O LEU A 13 16.998 -6.782 -4.622 1.00 25.00 O ATOM 166 CB LEU A 13 16.953 -9.884 -4.127 1.00 25.00 C ATOM 167 CG LEU A 13 18.257 -10.319 -4.834 1.00 25.00 C ATOM 168 CD1 LEU A 13 19.142 -11.135 -3.905 1.00 25.00 C ATOM 169 CD2 LEU A 13 17.941 -11.186 -6.092 1.00 25.00 C ATOM 0 H LEU A 13 15.371 -10.443 -6.137 1.00 25.00 H new ATOM 0 HA LEU A 13 15.290 -8.555 -3.991 1.00 25.00 H new ATOM 0 HB2 LEU A 13 17.243 -9.451 -3.170 1.00 25.00 H new ATOM 0 HB3 LEU A 13 16.394 -10.794 -3.909 1.00 25.00 H new ATOM 0 HG LEU A 13 18.778 -9.408 -5.128 1.00 25.00 H new ATOM 0 HD11 LEU A 13 20.051 -11.426 -4.431 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.404 -10.536 -3.033 1.00 25.00 H new ATOM 0 HD13 LEU A 13 18.607 -12.029 -3.584 1.00 25.00 H new ATOM 0 HD21 LEU A 13 18.873 -11.481 -6.574 1.00 25.00 H new ATOM 0 HD22 LEU A 13 17.390 -12.077 -5.791 1.00 25.00 H new ATOM 0 HD23 LEU A 13 17.339 -10.606 -6.791 1.00 25.00 H new ATOM 181 N TYR A 14 16.829 -7.682 -6.662 1.00 25.00 N ATOM 182 CA TYR A 14 17.410 -6.529 -7.284 1.00 25.00 C ATOM 183 C TYR A 14 16.496 -5.353 -7.103 1.00 25.00 C ATOM 184 O TYR A 14 16.917 -4.200 -6.871 1.00 25.00 O ATOM 185 CB TYR A 14 17.633 -6.825 -8.719 1.00 25.00 C ATOM 186 CG TYR A 14 18.086 -5.647 -9.496 1.00 25.00 C ATOM 187 CD1 TYR A 14 19.444 -5.256 -9.538 1.00 25.00 C ATOM 188 CD2 TYR A 14 17.123 -4.879 -10.224 1.00 25.00 C ATOM 189 CE1 TYR A 14 19.855 -4.174 -10.269 1.00 25.00 C ATOM 190 CE2 TYR A 14 17.534 -3.804 -10.986 1.00 25.00 C ATOM 191 CZ TYR A 14 18.912 -3.451 -10.996 1.00 25.00 C ATOM 192 OH TYR A 14 19.381 -2.430 -11.765 1.00 25.00 O ATOM 0 H TYR A 14 16.559 -8.433 -7.297 1.00 25.00 H new ATOM 0 HA TYR A 14 18.368 -6.285 -6.825 1.00 25.00 H new ATOM 0 HB2 TYR A 14 18.375 -7.618 -8.808 1.00 25.00 H new ATOM 0 HB3 TYR A 14 16.708 -7.204 -9.153 1.00 25.00 H new ATOM 0 HD1 TYR A 14 20.174 -5.824 -8.980 1.00 25.00 H new ATOM 0 HD2 TYR A 14 16.076 -5.140 -10.177 1.00 25.00 H new ATOM 0 HE1 TYR A 14 20.896 -3.885 -10.282 1.00 25.00 H new ATOM 0 HE2 TYR A 14 16.820 -3.239 -11.566 1.00 25.00 H new ATOM 0 HH TYR A 14 18.633 -1.998 -12.227 1.00 25.00 H new ATOM 202 N GLN A 15 15.219 -5.636 -7.177 1.00 25.00 N ATOM 203 CA GLN A 15 14.224 -4.579 -7.035 1.00 25.00 C ATOM 204 C GLN A 15 14.128 -4.209 -5.578 1.00 25.00 C ATOM 205 O GLN A 15 13.985 -3.016 -5.267 1.00 25.00 O ATOM 206 CB GLN A 15 12.888 -5.053 -7.545 1.00 25.00 C ATOM 207 CG GLN A 15 12.095 -3.930 -8.229 1.00 25.00 C ATOM 208 CD GLN A 15 12.605 -3.590 -9.587 1.00 25.00 C ATOM 209 OE1 GLN A 15 12.866 -2.462 -9.872 1.00 25.00 O ATOM 210 NE2 GLN A 15 12.712 -4.593 -10.451 1.00 25.00 N ATOM 0 H GLN A 15 14.839 -6.570 -7.332 1.00 25.00 H new ATOM 0 HA GLN A 15 14.519 -3.707 -7.619 1.00 25.00 H new ATOM 0 HB2 GLN A 15 13.040 -5.870 -8.251 1.00 25.00 H new ATOM 0 HB3 GLN A 15 12.306 -5.453 -6.715 1.00 25.00 H new ATOM 0 HG2 GLN A 15 11.049 -4.228 -8.305 1.00 25.00 H new ATOM 0 HG3 GLN A 15 12.127 -3.038 -7.603 1.00 25.00 H new ATOM 0 HE21 GLN A 15 12.477 -5.543 -10.162 1.00 25.00 H new ATOM 0 HE22 GLN A 15 13.029 -4.414 -11.404 1.00 25.00 H new ATOM 219 N LEU A 16 14.236 -5.189 -4.723 1.00 25.00 N ATOM 220 CA LEU A 16 14.132 -4.968 -3.298 1.00 25.00 C ATOM 221 C LEU A 16 15.274 -4.030 -2.836 1.00 25.00 C ATOM 222 O LEU A 16 15.007 -3.112 -2.048 1.00 25.00 O ATOM 223 CB LEU A 16 14.140 -6.318 -2.545 1.00 25.00 C ATOM 224 CG LEU A 16 13.674 -6.229 -1.068 1.00 25.00 C ATOM 225 CD1 LEU A 16 12.244 -5.669 -0.930 1.00 25.00 C ATOM 226 CD2 LEU A 16 13.763 -7.603 -0.358 1.00 25.00 C ATOM 0 H LEU A 16 14.398 -6.161 -4.988 1.00 25.00 H new ATOM 0 HA LEU A 16 13.186 -4.480 -3.066 1.00 25.00 H new ATOM 0 HB2 LEU A 16 13.496 -7.020 -3.075 1.00 25.00 H new ATOM 0 HB3 LEU A 16 15.149 -6.729 -2.571 1.00 25.00 H new ATOM 0 HG LEU A 16 14.357 -5.532 -0.583 1.00 25.00 H new ATOM 0 HD11 LEU A 16 11.969 -5.629 0.124 1.00 25.00 H new ATOM 0 HD12 LEU A 16 12.204 -4.666 -1.354 1.00 25.00 H new ATOM 0 HD13 LEU A 16 11.547 -6.316 -1.462 1.00 25.00 H new ATOM 0 HD21 LEU A 16 13.429 -7.501 0.674 1.00 25.00 H new ATOM 0 HD22 LEU A 16 13.128 -8.322 -0.876 1.00 25.00 H new ATOM 0 HD23 LEU A 16 14.795 -7.954 -0.372 1.00 25.00 H new ATOM 238 N GLU A 17 16.470 -4.207 -3.363 1.00 25.00 N ATOM 239 CA GLU A 17 17.620 -3.339 -3.049 1.00 25.00 C ATOM 240 C GLU A 17 17.386 -1.914 -3.433 1.00 25.00 C ATOM 241 O GLU A 17 17.932 -0.981 -2.796 1.00 25.00 O ATOM 242 CB GLU A 17 18.857 -3.853 -3.795 1.00 25.00 C ATOM 243 CG GLU A 17 19.437 -5.105 -3.197 1.00 25.00 C ATOM 244 CD GLU A 17 20.578 -4.815 -2.262 1.00 25.00 C ATOM 245 OE1 GLU A 17 21.716 -5.117 -2.503 1.00 25.00 O ATOM 246 OE2 GLU A 17 20.237 -4.232 -1.195 1.00 25.00 O ATOM 0 H GLU A 17 16.686 -4.954 -4.023 1.00 25.00 H new ATOM 0 HA GLU A 17 17.766 -3.373 -1.969 1.00 25.00 H new ATOM 0 HB2 GLU A 17 18.592 -4.045 -4.835 1.00 25.00 H new ATOM 0 HB3 GLU A 17 19.619 -3.074 -3.799 1.00 25.00 H new ATOM 0 HG2 GLU A 17 18.657 -5.643 -2.659 1.00 25.00 H new ATOM 0 HG3 GLU A 17 19.783 -5.760 -3.996 1.00 25.00 H new ATOM 254 N ASN A 18 16.509 -1.709 -4.395 1.00 25.00 N ATOM 255 CA ASN A 18 16.202 -0.377 -4.849 1.00 25.00 C ATOM 256 C ASN A 18 15.388 0.404 -3.818 1.00 25.00 C ATOM 257 O ASN A 18 15.325 1.595 -3.887 1.00 25.00 O ATOM 258 CB ASN A 18 15.474 -0.437 -6.172 1.00 25.00 C ATOM 259 CG ASN A 18 15.702 0.834 -7.014 1.00 25.00 C ATOM 260 OD1 ASN A 18 15.031 1.837 -6.843 1.00 25.00 O ATOM 261 ND2 ASN A 18 16.661 0.781 -7.902 1.00 25.00 N ATOM 0 H ASN A 18 15.999 -2.451 -4.874 1.00 25.00 H new ATOM 0 HA ASN A 18 17.143 0.156 -4.983 1.00 25.00 H new ATOM 0 HB2 ASN A 18 15.812 -1.309 -6.733 1.00 25.00 H new ATOM 0 HB3 ASN A 18 14.407 -0.567 -5.993 1.00 25.00 H new ATOM 0 HD21 ASN A 18 16.868 1.596 -8.479 1.00 25.00 H new ATOM 0 HD22 ASN A 18 17.202 -0.076 -8.018 1.00 25.00 H new ATOM 268 N TYR A 19 14.789 -0.287 -2.874 1.00 25.00 N ATOM 269 CA TYR A 19 14.060 0.408 -1.788 1.00 25.00 C ATOM 270 C TYR A 19 15.091 0.928 -0.752 1.00 25.00 C ATOM 271 O TYR A 19 14.706 1.593 0.228 1.00 25.00 O ATOM 272 CB TYR A 19 13.044 -0.518 -1.107 1.00 25.00 C ATOM 273 CG TYR A 19 11.844 -0.941 -1.951 1.00 25.00 C ATOM 274 CD1 TYR A 19 11.916 -2.070 -2.781 1.00 25.00 C ATOM 275 CD2 TYR A 19 10.660 -0.256 -1.913 1.00 25.00 C ATOM 276 CE1 TYR A 19 10.826 -2.490 -3.569 1.00 25.00 C ATOM 277 CE2 TYR A 19 9.542 -0.686 -2.676 1.00 25.00 C ATOM 278 CZ TYR A 19 9.639 -1.799 -3.498 1.00 25.00 C ATOM 279 OH TYR A 19 8.563 -2.178 -4.257 1.00 25.00 O ATOM 0 H TYR A 19 14.780 -1.305 -2.818 1.00 25.00 H new ATOM 0 HA TYR A 19 13.502 1.241 -2.215 1.00 25.00 H new ATOM 0 HB2 TYR A 19 13.566 -1.417 -0.779 1.00 25.00 H new ATOM 0 HB3 TYR A 19 12.674 -0.020 -0.211 1.00 25.00 H new ATOM 0 HD1 TYR A 19 12.836 -2.635 -2.817 1.00 25.00 H new ATOM 0 HD2 TYR A 19 10.574 0.625 -1.294 1.00 25.00 H new ATOM 0 HE1 TYR A 19 10.922 -3.345 -4.222 1.00 25.00 H new ATOM 0 HE2 TYR A 19 8.610 -0.143 -2.616 1.00 25.00 H new ATOM 0 HH TYR A 19 7.809 -1.578 -4.078 1.00 25.00 H new ATOM 289 N CYS A 20 16.378 0.610 -0.941 1.00 25.00 N ATOM 290 CA CYS A 20 17.359 0.952 0.066 1.00 25.00 C ATOM 291 C CYS A 20 18.676 1.099 -0.697 1.00 25.00 C ATOM 292 O CYS A 20 19.649 0.399 -0.508 1.00 25.00 O ATOM 293 CB CYS A 20 17.433 -0.169 1.096 1.00 25.00 C ATOM 294 SG CYS A 20 18.129 0.185 2.719 1.00 25.00 S ATOM 0 H CYS A 20 16.746 0.130 -1.762 1.00 25.00 H new ATOM 0 HA CYS A 20 17.117 1.866 0.608 1.00 25.00 H new ATOM 0 HB2 CYS A 20 16.421 -0.546 1.246 1.00 25.00 H new ATOM 0 HB3 CYS A 20 18.014 -0.981 0.658 1.00 25.00 H new ATOM 299 N ASN A 21 18.642 2.009 -1.699 1.00 25.00 N ATOM 300 CA ASN A 21 19.724 2.178 -2.633 1.00 25.00 C ATOM 301 C ASN A 21 20.644 3.310 -2.169 1.00 25.00 C ATOM 302 O ASN A 21 20.344 4.487 -2.082 1.00 25.00 O ATOM 303 CB ASN A 21 19.169 2.428 -4.035 1.00 25.00 C ATOM 304 CG ASN A 21 20.203 2.041 -5.048 1.00 25.00 C ATOM 305 OD1 ASN A 21 21.389 2.124 -4.891 1.00 25.00 O ATOM 306 ND2 ASN A 21 19.697 1.567 -6.180 1.00 25.00 N ATOM 307 OXT ASN A 21 21.710 2.835 -1.633 1.00 25.00 O ATOM 0 H ASN A 21 17.853 2.635 -1.862 1.00 25.00 H new ATOM 0 HA ASN A 21 20.320 1.266 -2.673 1.00 25.00 H new ATOM 0 HB2 ASN A 21 18.258 1.849 -4.188 1.00 25.00 H new ATOM 0 HB3 ASN A 21 18.903 3.478 -4.152 1.00 25.00 H new ATOM 0 HD21 ASN A 21 20.319 1.267 -6.931 1.00 25.00 H new ATOM 0 HD22 ASN A 21 18.686 1.502 -6.299 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 31 19.554 -17.278 -1.060 1.00 25.00 N ATOM 317 CA PHE B 31 18.283 -16.498 -1.270 1.00 25.00 C ATOM 318 C PHE B 31 17.232 -17.295 -1.990 1.00 25.00 C ATOM 319 O PHE B 31 17.554 -18.201 -2.723 1.00 25.00 O ATOM 320 CB PHE B 31 18.619 -15.215 -2.037 1.00 25.00 C ATOM 321 CG PHE B 31 17.430 -14.271 -2.175 1.00 25.00 C ATOM 322 CD1 PHE B 31 17.169 -13.343 -1.149 1.00 25.00 C ATOM 323 CD2 PHE B 31 16.615 -14.312 -3.263 1.00 25.00 C ATOM 324 CE1 PHE B 31 16.078 -12.477 -1.236 1.00 25.00 C ATOM 325 CE2 PHE B 31 15.515 -13.452 -3.372 1.00 25.00 C ATOM 326 CZ PHE B 31 15.231 -12.524 -2.365 1.00 25.00 C ATOM 0 HA PHE B 31 17.861 -16.253 -0.295 1.00 25.00 H new ATOM 0 HB2 PHE B 31 19.430 -14.696 -1.527 1.00 25.00 H new ATOM 0 HB3 PHE B 31 18.984 -15.478 -3.030 1.00 25.00 H new ATOM 0 HD1 PHE B 31 17.819 -13.301 -0.287 1.00 25.00 H new ATOM 0 HD2 PHE B 31 16.819 -15.018 -4.054 1.00 25.00 H new ATOM 0 HE1 PHE B 31 15.882 -11.772 -0.441 1.00 25.00 H new ATOM 0 HE2 PHE B 31 14.879 -13.506 -4.243 1.00 25.00 H new ATOM 0 HZ PHE B 31 14.384 -11.859 -2.449 1.00 25.00 H new ATOM 337 N VAL B 32 15.960 -17.034 -1.696 1.00 25.00 N ATOM 338 CA VAL B 32 14.864 -17.817 -2.285 1.00 25.00 C ATOM 339 C VAL B 32 13.871 -16.858 -2.960 1.00 25.00 C ATOM 340 O VAL B 32 13.616 -15.765 -2.498 1.00 25.00 O ATOM 341 CB VAL B 32 14.144 -18.706 -1.143 1.00 25.00 C ATOM 342 CG1 VAL B 32 13.399 -17.807 -0.108 1.00 25.00 C ATOM 343 CG2 VAL B 32 13.196 -19.714 -1.731 1.00 25.00 C ATOM 0 H VAL B 32 15.660 -16.295 -1.060 1.00 25.00 H new ATOM 0 HA VAL B 32 15.254 -18.501 -3.038 1.00 25.00 H new ATOM 0 HB VAL B 32 14.934 -19.250 -0.625 1.00 25.00 H new ATOM 0 HG11 VAL B 32 12.926 -18.436 0.646 1.00 25.00 H new ATOM 0 HG12 VAL B 32 14.113 -17.138 0.373 1.00 25.00 H new ATOM 0 HG13 VAL B 32 12.637 -17.218 -0.619 1.00 25.00 H new ATOM 0 HG21 VAL B 32 12.734 -20.290 -0.929 1.00 25.00 H new ATOM 0 HG22 VAL B 32 12.422 -19.198 -2.299 1.00 25.00 H new ATOM 0 HG23 VAL B 32 13.744 -20.386 -2.392 1.00 25.00 H new ATOM 353 N ASN B 33 13.247 -17.335 -4.016 1.00 25.00 N ATOM 354 CA ASN B 33 12.179 -16.585 -4.663 1.00 25.00 C ATOM 355 C ASN B 33 10.867 -16.862 -3.918 1.00 25.00 C ATOM 356 O ASN B 33 10.352 -17.937 -3.947 1.00 25.00 O ATOM 357 CB ASN B 33 12.073 -16.936 -6.189 1.00 25.00 C ATOM 358 CG ASN B 33 11.833 -18.399 -6.439 1.00 25.00 C ATOM 359 OD1 ASN B 33 12.597 -19.259 -6.004 1.00 25.00 O ATOM 360 ND2 ASN B 33 10.774 -18.702 -7.156 1.00 25.00 N ATOM 0 H ASN B 33 13.456 -18.235 -4.447 1.00 25.00 H new ATOM 0 HA ASN B 33 12.399 -15.519 -4.614 1.00 25.00 H new ATOM 0 HB2 ASN B 33 11.262 -16.359 -6.634 1.00 25.00 H new ATOM 0 HB3 ASN B 33 12.992 -16.633 -6.691 1.00 25.00 H new ATOM 0 HD21 ASN B 33 10.564 -19.677 -7.368 1.00 25.00 H new ATOM 0 HD22 ASN B 33 10.162 -17.962 -7.500 1.00 25.00 H new ATOM 367 N GLN B 34 10.319 -15.851 -3.263 1.00 25.00 N ATOM 368 CA GLN B 34 9.129 -16.028 -2.443 1.00 25.00 C ATOM 369 C GLN B 34 8.279 -14.791 -2.467 1.00 25.00 C ATOM 370 O GLN B 34 8.750 -13.683 -2.636 1.00 25.00 O ATOM 371 CB GLN B 34 9.526 -16.367 -1.026 1.00 25.00 C ATOM 372 CG GLN B 34 8.409 -17.060 -0.238 1.00 25.00 C ATOM 373 CD GLN B 34 8.880 -17.390 1.190 1.00 25.00 C ATOM 374 OE1 GLN B 34 9.989 -17.797 1.400 1.00 25.00 O ATOM 375 NE2 GLN B 34 8.026 -17.179 2.176 1.00 25.00 N ATOM 0 H GLN B 34 10.679 -14.897 -3.283 1.00 25.00 H new ATOM 0 HA GLN B 34 8.543 -16.851 -2.853 1.00 25.00 H new ATOM 0 HB2 GLN B 34 10.403 -17.013 -1.046 1.00 25.00 H new ATOM 0 HB3 GLN B 34 9.815 -15.453 -0.507 1.00 25.00 H new ATOM 0 HG2 GLN B 34 7.531 -16.415 -0.198 1.00 25.00 H new ATOM 0 HG3 GLN B 34 8.110 -17.975 -0.749 1.00 25.00 H new ATOM 0 HE21 GLN B 34 7.088 -16.833 1.973 1.00 25.00 H new ATOM 0 HE22 GLN B 34 8.304 -17.362 3.140 1.00 25.00 H new ATOM 384 N HIS B 35 7.002 -14.970 -2.233 1.00 25.00 N ATOM 385 CA HIS B 35 6.028 -13.877 -2.153 1.00 25.00 C ATOM 386 C HIS B 35 6.107 -13.140 -0.790 1.00 25.00 C ATOM 387 O HIS B 35 5.322 -13.330 0.127 1.00 25.00 O ATOM 388 CB HIS B 35 4.606 -14.425 -2.387 1.00 25.00 C ATOM 389 CG HIS B 35 4.407 -14.961 -3.771 1.00 25.00 C ATOM 390 ND1 HIS B 35 4.438 -14.161 -4.902 1.00 25.00 N ATOM 391 CD2 HIS B 35 4.155 -16.220 -4.226 1.00 25.00 C ATOM 392 CE1 HIS B 35 4.234 -14.926 -5.977 1.00 25.00 C ATOM 393 NE2 HIS B 35 4.042 -16.169 -5.583 1.00 25.00 N ATOM 0 H HIS B 35 6.590 -15.892 -2.088 1.00 25.00 H new ATOM 0 HA HIS B 35 6.268 -13.152 -2.931 1.00 25.00 H new ATOM 0 HB2 HIS B 35 4.404 -15.216 -1.664 1.00 25.00 H new ATOM 0 HB3 HIS B 35 3.882 -13.632 -2.203 1.00 25.00 H new ATOM 0 HD1 HIS B 35 4.592 -13.153 -4.912 1.00 25.00 H new ATOM 0 HD2 HIS B 35 4.061 -17.106 -3.616 1.00 25.00 H new ATOM 0 HE1 HIS B 35 4.227 -14.583 -7.001 1.00 25.00 H new ATOM 402 N LEU B 36 7.202 -12.453 -0.596 1.00 25.00 N ATOM 403 CA LEU B 36 7.454 -11.788 0.656 1.00 25.00 C ATOM 404 C LEU B 36 6.336 -10.732 0.890 1.00 25.00 C ATOM 405 O LEU B 36 5.980 -9.942 0.028 1.00 25.00 O ATOM 406 CB LEU B 36 8.825 -11.078 0.633 1.00 25.00 C ATOM 407 CG LEU B 36 10.064 -12.004 0.483 1.00 25.00 C ATOM 408 CD1 LEU B 36 11.196 -11.079 0.055 1.00 25.00 C ATOM 409 CD2 LEU B 36 10.451 -12.713 1.811 1.00 25.00 C ATOM 0 H LEU B 36 7.938 -12.339 -1.293 1.00 25.00 H new ATOM 0 HA LEU B 36 7.460 -12.527 1.457 1.00 25.00 H new ATOM 0 HB2 LEU B 36 8.828 -10.362 -0.189 1.00 25.00 H new ATOM 0 HB3 LEU B 36 8.932 -10.506 1.555 1.00 25.00 H new ATOM 0 HG LEU B 36 9.856 -12.801 -0.231 1.00 25.00 H new ATOM 0 HD11 LEU B 36 12.111 -11.658 -0.073 1.00 25.00 H new ATOM 0 HD12 LEU B 36 10.936 -10.598 -0.888 1.00 25.00 H new ATOM 0 HD13 LEU B 36 11.353 -10.318 0.819 1.00 25.00 H new ATOM 0 HD21 LEU B 36 11.323 -13.346 1.645 1.00 25.00 H new ATOM 0 HD22 LEU B 36 10.685 -11.965 2.568 1.00 25.00 H new ATOM 0 HD23 LEU B 36 9.617 -13.326 2.152 1.00 25.00 H new ATOM 421 N CYS B 37 5.711 -10.825 2.033 1.00 25.00 N ATOM 422 CA CYS B 37 4.519 -10.058 2.308 1.00 25.00 C ATOM 423 C CYS B 37 4.480 -9.424 3.741 1.00 25.00 C ATOM 424 O CYS B 37 4.561 -8.187 3.882 1.00 25.00 O ATOM 425 CB CYS B 37 3.295 -10.956 2.151 1.00 25.00 C ATOM 426 SG CYS B 37 1.756 -10.022 1.882 1.00 25.00 S ATOM 0 H CYS B 37 6.009 -11.430 2.798 1.00 25.00 H new ATOM 0 HA CYS B 37 4.521 -9.235 1.593 1.00 25.00 H new ATOM 0 HB2 CYS B 37 3.454 -11.633 1.312 1.00 25.00 H new ATOM 0 HB3 CYS B 37 3.188 -11.573 3.043 1.00 25.00 H new ATOM 431 N GLY B 38 4.524 -10.269 4.769 1.00 25.00 N ATOM 432 CA GLY B 38 4.590 -9.791 6.162 1.00 25.00 C ATOM 433 C GLY B 38 5.936 -9.333 6.681 1.00 25.00 C ATOM 434 O GLY B 38 6.781 -8.799 5.918 1.00 25.00 O ATOM 0 H GLY B 38 4.516 -11.284 4.672 1.00 25.00 H new ATOM 0 HA2 GLY B 38 3.890 -8.962 6.267 1.00 25.00 H new ATOM 0 HA3 GLY B 38 4.235 -10.592 6.810 1.00 25.00 H new ATOM 438 N SER B 39 6.195 -9.524 7.948 1.00 25.00 N ATOM 439 CA SER B 39 7.448 -9.055 8.568 1.00 25.00 C ATOM 440 C SER B 39 8.697 -9.714 7.935 1.00 25.00 C ATOM 441 O SER B 39 9.774 -9.131 7.965 1.00 25.00 O ATOM 442 CB SER B 39 7.388 -9.357 10.056 1.00 25.00 C ATOM 443 OG SER B 39 7.357 -10.742 10.296 1.00 25.00 O ATOM 0 H SER B 39 5.563 -10.002 8.590 1.00 25.00 H new ATOM 0 HA SER B 39 7.541 -7.982 8.398 1.00 25.00 H new ATOM 0 HB2 SER B 39 8.254 -8.919 10.553 1.00 25.00 H new ATOM 0 HB3 SER B 39 6.502 -8.891 10.488 1.00 25.00 H new ATOM 0 HG SER B 39 7.320 -10.906 11.261 1.00 25.00 H new ATOM 449 N HIS B 40 8.486 -10.783 7.185 1.00 25.00 N ATOM 450 CA HIS B 40 9.564 -11.374 6.391 1.00 25.00 C ATOM 451 C HIS B 40 10.116 -10.415 5.381 1.00 25.00 C ATOM 452 O HIS B 40 11.313 -10.429 5.116 1.00 25.00 O ATOM 453 CB HIS B 40 9.046 -12.583 5.593 1.00 25.00 C ATOM 454 CG HIS B 40 8.758 -13.799 6.441 1.00 25.00 C ATOM 455 ND1 HIS B 40 8.798 -15.109 5.950 1.00 25.00 N ATOM 456 CD2 HIS B 40 8.400 -13.933 7.752 1.00 25.00 C ATOM 457 CE1 HIS B 40 8.506 -15.936 6.959 1.00 25.00 C ATOM 458 NE2 HIS B 40 8.300 -15.261 8.045 1.00 25.00 N ATOM 0 H HIS B 40 7.588 -11.260 7.106 1.00 25.00 H new ATOM 0 HA HIS B 40 10.338 -11.657 7.105 1.00 25.00 H new ATOM 0 HB2 HIS B 40 8.136 -12.295 5.067 1.00 25.00 H new ATOM 0 HB3 HIS B 40 9.783 -12.848 4.834 1.00 25.00 H new ATOM 0 HD2 HIS B 40 8.225 -13.121 8.443 1.00 25.00 H new ATOM 0 HE1 HIS B 40 8.450 -17.012 6.880 1.00 25.00 H new ATOM 0 HE2 HIS B 40 8.097 -15.656 8.963 1.00 25.00 H new ATOM 467 N LEU B 41 9.233 -9.622 4.809 1.00 25.00 N ATOM 468 CA LEU B 41 9.639 -8.664 3.774 1.00 25.00 C ATOM 469 C LEU B 41 10.592 -7.636 4.334 1.00 25.00 C ATOM 470 O LEU B 41 11.605 -7.324 3.729 1.00 25.00 O ATOM 471 CB LEU B 41 8.366 -8.006 3.190 1.00 25.00 C ATOM 472 CG LEU B 41 8.571 -6.886 2.142 1.00 25.00 C ATOM 473 CD1 LEU B 41 9.506 -7.283 1.060 1.00 25.00 C ATOM 474 CD2 LEU B 41 7.211 -6.486 1.572 1.00 25.00 C ATOM 0 H LEU B 41 8.238 -9.613 5.033 1.00 25.00 H new ATOM 0 HA LEU B 41 10.173 -9.181 2.977 1.00 25.00 H new ATOM 0 HB2 LEU B 41 7.759 -8.788 2.735 1.00 25.00 H new ATOM 0 HB3 LEU B 41 7.788 -7.594 4.017 1.00 25.00 H new ATOM 0 HG LEU B 41 9.031 -6.032 2.639 1.00 25.00 H new ATOM 0 HD11 LEU B 41 9.614 -6.461 0.352 1.00 25.00 H new ATOM 0 HD12 LEU B 41 10.479 -7.522 1.489 1.00 25.00 H new ATOM 0 HD13 LEU B 41 9.113 -8.158 0.542 1.00 25.00 H new ATOM 0 HD21 LEU B 41 7.344 -5.697 0.832 1.00 25.00 H new ATOM 0 HD22 LEU B 41 6.746 -7.351 1.100 1.00 25.00 H new ATOM 0 HD23 LEU B 41 6.571 -6.124 2.377 1.00 25.00 H new ATOM 486 N VAL B 42 10.296 -7.195 5.539 1.00 25.00 N ATOM 487 CA VAL B 42 11.083 -6.133 6.192 1.00 25.00 C ATOM 488 C VAL B 42 12.447 -6.702 6.547 1.00 25.00 C ATOM 489 O VAL B 42 13.476 -6.082 6.407 1.00 25.00 O ATOM 490 CB VAL B 42 10.380 -5.686 7.527 1.00 25.00 C ATOM 491 CG1 VAL B 42 11.221 -4.633 8.300 1.00 25.00 C ATOM 492 CG2 VAL B 42 8.992 -5.178 7.189 1.00 25.00 C ATOM 0 H VAL B 42 9.519 -7.546 6.098 1.00 25.00 H new ATOM 0 HA VAL B 42 11.171 -5.280 5.519 1.00 25.00 H new ATOM 0 HB VAL B 42 10.295 -6.540 8.199 1.00 25.00 H new ATOM 0 HG11 VAL B 42 10.700 -4.352 9.215 1.00 25.00 H new ATOM 0 HG12 VAL B 42 12.193 -5.057 8.552 1.00 25.00 H new ATOM 0 HG13 VAL B 42 11.361 -3.750 7.676 1.00 25.00 H new ATOM 0 HG21 VAL B 42 8.487 -4.863 8.102 1.00 25.00 H new ATOM 0 HG22 VAL B 42 9.071 -4.331 6.507 1.00 25.00 H new ATOM 0 HG23 VAL B 42 8.419 -5.974 6.714 1.00 25.00 H new ATOM 502 N GLU B 43 12.417 -7.914 7.022 1.00 25.00 N ATOM 503 CA GLU B 43 13.609 -8.617 7.458 1.00 25.00 C ATOM 504 C GLU B 43 14.543 -8.958 6.282 1.00 25.00 C ATOM 505 O GLU B 43 15.738 -8.817 6.362 1.00 25.00 O ATOM 506 CB GLU B 43 13.178 -9.871 8.213 1.00 25.00 C ATOM 507 CG GLU B 43 14.267 -10.571 8.987 1.00 25.00 C ATOM 508 CD GLU B 43 13.699 -11.611 9.910 1.00 25.00 C ATOM 509 OE1 GLU B 43 12.625 -11.527 10.429 1.00 25.00 O ATOM 510 OE2 GLU B 43 14.412 -12.695 9.970 1.00 25.00 O ATOM 0 H GLU B 43 11.559 -8.456 7.122 1.00 25.00 H new ATOM 0 HA GLU B 43 14.186 -7.969 8.118 1.00 25.00 H new ATOM 0 HB2 GLU B 43 12.381 -9.601 8.905 1.00 25.00 H new ATOM 0 HB3 GLU B 43 12.754 -10.576 7.498 1.00 25.00 H new ATOM 0 HG2 GLU B 43 14.965 -11.040 8.293 1.00 25.00 H new ATOM 0 HG3 GLU B 43 14.833 -9.840 9.564 1.00 25.00 H new ATOM 518 N ALA B 44 13.979 -9.333 5.131 1.00 25.00 N ATOM 519 CA ALA B 44 14.759 -9.576 3.903 1.00 25.00 C ATOM 520 C ALA B 44 15.422 -8.311 3.397 1.00 25.00 C ATOM 521 O ALA B 44 16.581 -8.330 2.967 1.00 25.00 O ATOM 522 CB ALA B 44 13.841 -10.129 2.835 1.00 25.00 C ATOM 0 H ALA B 44 12.976 -9.477 5.018 1.00 25.00 H new ATOM 0 HA ALA B 44 15.547 -10.292 4.137 1.00 25.00 H new ATOM 0 HB1 ALA B 44 14.411 -10.311 1.924 1.00 25.00 H new ATOM 0 HB2 ALA B 44 13.402 -11.065 3.181 1.00 25.00 H new ATOM 0 HB3 ALA B 44 13.048 -9.410 2.629 1.00 25.00 H new ATOM 528 N LEU B 45 14.665 -7.231 3.427 1.00 25.00 N ATOM 529 CA LEU B 45 15.134 -5.947 2.967 1.00 25.00 C ATOM 530 C LEU B 45 16.299 -5.495 3.828 1.00 25.00 C ATOM 531 O LEU B 45 17.293 -5.040 3.329 1.00 25.00 O ATOM 532 CB LEU B 45 13.993 -4.956 3.031 1.00 25.00 C ATOM 533 CG LEU B 45 14.071 -3.632 2.249 1.00 25.00 C ATOM 534 CD1 LEU B 45 12.685 -3.067 2.126 1.00 25.00 C ATOM 535 CD2 LEU B 45 14.962 -2.564 2.927 1.00 25.00 C ATOM 0 H LEU B 45 13.705 -7.224 3.773 1.00 25.00 H new ATOM 0 HA LEU B 45 15.480 -6.017 1.936 1.00 25.00 H new ATOM 0 HB2 LEU B 45 13.095 -5.476 2.697 1.00 25.00 H new ATOM 0 HB3 LEU B 45 13.844 -4.703 4.081 1.00 25.00 H new ATOM 0 HG LEU B 45 14.516 -3.863 1.281 1.00 25.00 H new ATOM 0 HD11 LEU B 45 12.723 -2.128 1.574 1.00 25.00 H new ATOM 0 HD12 LEU B 45 12.049 -3.775 1.595 1.00 25.00 H new ATOM 0 HD13 LEU B 45 12.276 -2.887 3.120 1.00 25.00 H new ATOM 0 HD21 LEU B 45 14.970 -1.658 2.320 1.00 25.00 H new ATOM 0 HD22 LEU B 45 14.566 -2.335 3.916 1.00 25.00 H new ATOM 0 HD23 LEU B 45 15.979 -2.946 3.023 1.00 25.00 H new ATOM 547 N TYR B 46 16.166 -5.672 5.144 1.00 25.00 N ATOM 548 CA TYR B 46 17.264 -5.315 6.025 1.00 25.00 C ATOM 549 C TYR B 46 18.483 -6.110 5.667 1.00 25.00 C ATOM 550 O TYR B 46 19.546 -5.544 5.530 1.00 25.00 O ATOM 551 CB TYR B 46 16.940 -5.598 7.491 1.00 25.00 C ATOM 552 CG TYR B 46 18.145 -5.430 8.393 1.00 25.00 C ATOM 553 CD1 TYR B 46 18.849 -4.234 8.426 1.00 25.00 C ATOM 554 CD2 TYR B 46 18.610 -6.512 9.177 1.00 25.00 C ATOM 555 CE1 TYR B 46 19.983 -4.081 9.262 1.00 25.00 C ATOM 556 CE2 TYR B 46 19.710 -6.361 10.057 1.00 25.00 C ATOM 557 CZ TYR B 46 20.396 -5.153 10.095 1.00 25.00 C ATOM 558 OH TYR B 46 21.448 -4.990 10.956 1.00 25.00 O ATOM 0 H TYR B 46 15.337 -6.047 5.605 1.00 25.00 H new ATOM 0 HA TYR B 46 17.436 -4.246 5.898 1.00 25.00 H new ATOM 0 HB2 TYR B 46 16.147 -4.927 7.821 1.00 25.00 H new ATOM 0 HB3 TYR B 46 16.558 -6.614 7.586 1.00 25.00 H new ATOM 0 HD1 TYR B 46 18.528 -3.409 7.807 1.00 25.00 H new ATOM 0 HD2 TYR B 46 18.118 -7.470 9.103 1.00 25.00 H new ATOM 0 HE1 TYR B 46 20.532 -3.151 9.265 1.00 25.00 H new ATOM 0 HE2 TYR B 46 20.013 -7.179 10.694 1.00 25.00 H new ATOM 0 HH TYR B 46 22.079 -4.340 10.582 1.00 25.00 H new ATOM 568 N LEU B 47 18.322 -7.422 5.468 1.00 25.00 N ATOM 569 CA LEU B 47 19.459 -8.275 5.123 1.00 25.00 C ATOM 570 C LEU B 47 20.123 -7.922 3.788 1.00 25.00 C ATOM 571 O LEU B 47 21.324 -8.078 3.665 1.00 25.00 O ATOM 572 CB LEU B 47 19.017 -9.743 5.059 1.00 25.00 C ATOM 573 CG LEU B 47 18.644 -10.467 6.346 1.00 25.00 C ATOM 574 CD1 LEU B 47 17.930 -11.811 6.003 1.00 25.00 C ATOM 575 CD2 LEU B 47 19.856 -10.750 7.221 1.00 25.00 C ATOM 0 H LEU B 47 17.429 -7.909 5.539 1.00 25.00 H new ATOM 0 HA LEU B 47 20.194 -8.109 5.910 1.00 25.00 H new ATOM 0 HB2 LEU B 47 18.157 -9.797 4.392 1.00 25.00 H new ATOM 0 HB3 LEU B 47 19.822 -10.307 4.588 1.00 25.00 H new ATOM 0 HG LEU B 47 17.976 -9.813 6.906 1.00 25.00 H new ATOM 0 HD11 LEU B 47 17.664 -12.327 6.925 1.00 25.00 H new ATOM 0 HD12 LEU B 47 17.027 -11.607 5.428 1.00 25.00 H new ATOM 0 HD13 LEU B 47 18.600 -12.439 5.416 1.00 25.00 H new ATOM 0 HD21 LEU B 47 19.538 -11.267 8.126 1.00 25.00 H new ATOM 0 HD22 LEU B 47 20.561 -11.376 6.674 1.00 25.00 H new ATOM 0 HD23 LEU B 47 20.338 -9.810 7.490 1.00 25.00 H new ATOM 587 N VAL B 48 19.378 -7.459 2.778 1.00 25.00 N ATOM 588 CA VAL B 48 19.982 -7.125 1.503 1.00 25.00 C ATOM 589 C VAL B 48 20.607 -5.739 1.543 1.00 25.00 C ATOM 590 O VAL B 48 21.605 -5.467 0.882 1.00 25.00 O ATOM 591 CB VAL B 48 18.959 -7.215 0.300 1.00 25.00 C ATOM 592 CG1 VAL B 48 18.312 -8.588 0.172 1.00 25.00 C ATOM 593 CG2 VAL B 48 17.846 -6.137 0.355 1.00 25.00 C ATOM 0 H VAL B 48 18.370 -7.312 2.826 1.00 25.00 H new ATOM 0 HA VAL B 48 20.760 -7.869 1.330 1.00 25.00 H new ATOM 0 HB VAL B 48 19.573 -7.030 -0.582 1.00 25.00 H new ATOM 0 HG11 VAL B 48 17.621 -8.587 -0.671 1.00 25.00 H new ATOM 0 HG12 VAL B 48 19.084 -9.340 0.008 1.00 25.00 H new ATOM 0 HG13 VAL B 48 17.768 -8.821 1.087 1.00 25.00 H new ATOM 0 HG21 VAL B 48 17.180 -6.257 -0.500 1.00 25.00 H new ATOM 0 HG22 VAL B 48 17.276 -6.249 1.277 1.00 25.00 H new ATOM 0 HG23 VAL B 48 18.298 -5.146 0.326 1.00 25.00 H new ATOM 603 N CYS B 49 20.026 -4.825 2.316 1.00 25.00 N ATOM 604 CA CYS B 49 20.571 -3.461 2.411 1.00 25.00 C ATOM 605 C CYS B 49 21.767 -3.410 3.365 1.00 25.00 C ATOM 606 O CYS B 49 22.839 -2.940 3.038 1.00 25.00 O ATOM 607 CB CYS B 49 19.471 -2.502 2.904 1.00 25.00 C ATOM 608 SG CYS B 49 19.922 -0.786 2.629 1.00 25.00 S ATOM 0 H CYS B 49 19.192 -4.993 2.879 1.00 25.00 H new ATOM 0 HA CYS B 49 20.912 -3.156 1.422 1.00 25.00 H new ATOM 0 HB2 CYS B 49 18.537 -2.721 2.386 1.00 25.00 H new ATOM 0 HB3 CYS B 49 19.293 -2.667 3.967 1.00 25.00 H new ATOM 613 N GLY B 50 21.596 -3.983 4.568 1.00 25.00 N ATOM 614 CA GLY B 50 22.638 -3.971 5.577 1.00 25.00 C ATOM 615 C GLY B 50 22.832 -2.624 6.244 1.00 25.00 C ATOM 616 O GLY B 50 22.336 -2.368 7.347 1.00 25.00 O ATOM 0 H GLY B 50 20.740 -4.458 4.854 1.00 25.00 H new ATOM 0 HA2 GLY B 50 22.400 -4.712 6.340 1.00 25.00 H new ATOM 0 HA3 GLY B 50 23.578 -4.277 5.118 1.00 25.00 H new ATOM 620 N GLU B 51 23.627 -1.782 5.597 1.00 25.00 N ATOM 621 CA GLU B 51 23.963 -0.465 6.117 1.00 25.00 C ATOM 622 C GLU B 51 22.723 0.449 6.322 1.00 25.00 C ATOM 623 O GLU B 51 21.916 0.598 5.421 1.00 25.00 O ATOM 624 CB GLU B 51 24.934 0.183 5.158 1.00 25.00 C ATOM 625 CG GLU B 51 25.622 1.378 5.767 1.00 25.00 C ATOM 626 CD GLU B 51 26.874 1.764 5.024 1.00 25.00 C ATOM 627 OE1 GLU B 51 26.972 2.781 4.420 1.00 25.00 O ATOM 628 OE2 GLU B 51 27.847 0.925 5.166 1.00 25.00 O ATOM 0 H GLU B 51 24.057 -1.994 4.697 1.00 25.00 H new ATOM 0 HA GLU B 51 24.406 -0.594 7.104 1.00 25.00 H new ATOM 0 HB2 GLU B 51 25.682 -0.548 4.852 1.00 25.00 H new ATOM 0 HB3 GLU B 51 24.402 0.491 4.258 1.00 25.00 H new ATOM 0 HG2 GLU B 51 24.934 2.223 5.777 1.00 25.00 H new ATOM 0 HG3 GLU B 51 25.872 1.159 6.805 1.00 25.00 H new ATOM 636 N GLN B 52 22.589 1.007 7.523 1.00 25.00 N ATOM 637 CA GLN B 52 21.476 1.911 7.906 1.00 25.00 C ATOM 638 C GLN B 52 20.072 1.319 7.662 1.00 25.00 C ATOM 639 O GLN B 52 19.209 1.931 7.104 1.00 25.00 O ATOM 640 CB GLN B 52 21.638 3.268 7.235 1.00 25.00 C ATOM 641 CG GLN B 52 22.989 3.957 7.641 1.00 25.00 C ATOM 642 CD GLN B 52 23.309 5.090 6.744 1.00 25.00 C ATOM 643 OE1 GLN B 52 22.436 5.817 6.287 1.00 25.00 O ATOM 644 NE2 GLN B 52 24.562 5.304 6.496 1.00 25.00 N ATOM 0 H GLN B 52 23.255 0.849 8.279 1.00 25.00 H new ATOM 0 HA GLN B 52 21.543 2.039 8.986 1.00 25.00 H new ATOM 0 HB2 GLN B 52 21.603 3.146 6.152 1.00 25.00 H new ATOM 0 HB3 GLN B 52 20.803 3.913 7.510 1.00 25.00 H new ATOM 0 HG2 GLN B 52 22.923 4.313 8.669 1.00 25.00 H new ATOM 0 HG3 GLN B 52 23.796 3.226 7.608 1.00 25.00 H new ATOM 0 HE21 GLN B 52 25.272 4.685 6.887 1.00 25.00 H new ATOM 0 HE22 GLN B 52 24.839 6.091 5.909 1.00 25.00 H new ATOM 653 N GLY B 53 19.894 0.082 8.073 1.00 25.00 N ATOM 654 CA GLY B 53 18.602 -0.572 7.973 1.00 25.00 C ATOM 655 C GLY B 53 17.580 -0.035 8.957 1.00 25.00 C ATOM 656 O GLY B 53 17.777 0.980 9.593 1.00 25.00 O ATOM 0 H GLY B 53 20.629 -0.495 8.481 1.00 25.00 H new ATOM 0 HA2 GLY B 53 18.219 -0.451 6.960 1.00 25.00 H new ATOM 0 HA3 GLY B 53 18.730 -1.641 8.140 1.00 25.00 H new ATOM 660 N PHE B 54 16.458 -0.729 9.085 1.00 25.00 N ATOM 661 CA PHE B 54 15.434 -0.238 10.012 1.00 25.00 C ATOM 662 C PHE B 54 15.919 -0.146 11.444 1.00 25.00 C ATOM 663 O PHE B 54 15.633 0.806 12.144 1.00 25.00 O ATOM 664 CB PHE B 54 14.146 -1.083 10.008 1.00 25.00 C ATOM 665 CG PHE B 54 13.623 -1.389 8.626 1.00 25.00 C ATOM 666 CD1 PHE B 54 14.186 -2.427 7.890 1.00 25.00 C ATOM 667 CD2 PHE B 54 12.598 -0.622 8.048 1.00 25.00 C ATOM 668 CE1 PHE B 54 13.759 -2.748 6.614 1.00 25.00 C ATOM 669 CE2 PHE B 54 12.160 -0.886 6.710 1.00 25.00 C ATOM 670 CZ PHE B 54 12.739 -1.960 5.987 1.00 25.00 C ATOM 0 H PHE B 54 16.234 -1.592 8.589 1.00 25.00 H new ATOM 0 HA PHE B 54 15.212 0.761 9.635 1.00 25.00 H new ATOM 0 HB2 PHE B 54 14.336 -2.021 10.530 1.00 25.00 H new ATOM 0 HB3 PHE B 54 13.375 -0.556 10.570 1.00 25.00 H new ATOM 0 HD1 PHE B 54 14.986 -3.003 8.331 1.00 25.00 H new ATOM 0 HD2 PHE B 54 12.137 0.172 8.616 1.00 25.00 H new ATOM 0 HE1 PHE B 54 14.192 -3.589 6.093 1.00 25.00 H new ATOM 0 HE2 PHE B 54 11.396 -0.273 6.256 1.00 25.00 H new ATOM 0 HZ PHE B 54 12.417 -2.181 4.980 1.00 25.00 H new ATOM 680 N PHE B 55 16.669 -1.153 11.916 1.00 25.00 N ATOM 681 CA PHE B 55 17.176 -1.218 13.291 1.00 25.00 C ATOM 682 C PHE B 55 18.424 -2.053 13.224 1.00 25.00 C ATOM 683 O PHE B 55 18.492 -2.954 12.386 1.00 25.00 O ATOM 684 CB PHE B 55 16.179 -1.912 14.207 1.00 25.00 C ATOM 685 CG PHE B 55 16.414 -1.674 15.674 1.00 25.00 C ATOM 686 CD1 PHE B 55 16.048 -0.430 16.268 1.00 25.00 C ATOM 687 CD2 PHE B 55 17.058 -2.637 16.481 1.00 25.00 C ATOM 688 CE1 PHE B 55 16.317 -0.170 17.597 1.00 25.00 C ATOM 689 CE2 PHE B 55 17.318 -2.370 17.840 1.00 25.00 C ATOM 690 CZ PHE B 55 16.953 -1.110 18.400 1.00 25.00 C ATOM 0 H PHE B 55 16.942 -1.953 11.346 1.00 25.00 H new ATOM 0 HA PHE B 55 17.353 -0.217 13.684 1.00 25.00 H new ATOM 0 HB2 PHE B 55 15.174 -1.574 13.953 1.00 25.00 H new ATOM 0 HB3 PHE B 55 16.213 -2.984 14.015 1.00 25.00 H new ATOM 0 HD1 PHE B 55 15.553 0.320 15.669 1.00 25.00 H new ATOM 0 HD2 PHE B 55 17.353 -3.584 16.054 1.00 25.00 H new ATOM 0 HE1 PHE B 55 16.028 0.781 18.020 1.00 25.00 H new ATOM 0 HE2 PHE B 55 17.793 -3.119 18.457 1.00 25.00 H new ATOM 0 HZ PHE B 55 17.168 -0.889 19.435 1.00 25.00 H new ATOM 700 N TYR B 56 19.409 -1.787 14.050 1.00 25.00 N ATOM 701 CA TYR B 56 20.659 -2.513 13.944 1.00 25.00 C ATOM 702 C TYR B 56 21.271 -2.658 15.330 1.00 25.00 C ATOM 703 O TYR B 56 21.814 -1.696 15.885 1.00 25.00 O ATOM 704 CB TYR B 56 21.626 -1.638 13.057 1.00 25.00 C ATOM 705 CG TYR B 56 22.705 -2.457 12.397 1.00 25.00 C ATOM 706 CD1 TYR B 56 23.562 -3.265 13.118 1.00 25.00 C ATOM 707 CD2 TYR B 56 22.890 -2.411 10.970 1.00 25.00 C ATOM 708 CE1 TYR B 56 24.599 -4.021 12.453 1.00 25.00 C ATOM 709 CE2 TYR B 56 23.905 -3.145 10.318 1.00 25.00 C ATOM 710 CZ TYR B 56 24.730 -3.947 11.062 1.00 25.00 C ATOM 711 OH TYR B 56 25.732 -4.687 10.513 1.00 25.00 O ATOM 0 H TYR B 56 19.375 -1.087 14.791 1.00 25.00 H new ATOM 0 HA TYR B 56 20.502 -3.501 13.511 1.00 25.00 H new ATOM 0 HB2 TYR B 56 21.045 -1.124 12.291 1.00 25.00 H new ATOM 0 HB3 TYR B 56 22.087 -0.869 13.678 1.00 25.00 H new ATOM 0 HD1 TYR B 56 23.456 -3.333 14.191 1.00 25.00 H new ATOM 0 HD2 TYR B 56 22.230 -1.794 10.378 1.00 25.00 H new ATOM 0 HE1 TYR B 56 25.271 -4.641 13.028 1.00 25.00 H new ATOM 0 HE2 TYR B 56 24.029 -3.075 9.247 1.00 25.00 H new ATOM 0 HH TYR B 56 25.734 -4.564 9.541 1.00 25.00 H new ATOM 721 N THR B 57 21.202 -3.854 15.909 1.00 25.00 N ATOM 722 CA THR B 57 21.857 -4.170 17.211 1.00 25.00 C ATOM 723 C THR B 57 22.620 -5.491 17.044 1.00 25.00 C ATOM 724 O THR B 57 21.996 -6.511 16.795 1.00 25.00 O ATOM 725 CB THR B 57 20.829 -4.292 18.361 1.00 25.00 C ATOM 726 OG1 THR B 57 20.164 -3.039 18.490 1.00 25.00 O ATOM 727 CG2 THR B 57 21.519 -4.579 19.730 1.00 25.00 C ATOM 0 H THR B 57 20.696 -4.641 15.504 1.00 25.00 H new ATOM 0 HA THR B 57 22.534 -3.358 17.477 1.00 25.00 H new ATOM 0 HB THR B 57 20.152 -5.112 18.123 1.00 25.00 H new ATOM 0 HG1 THR B 57 19.384 -3.020 17.897 1.00 25.00 H new ATOM 0 HG21 THR B 57 20.762 -4.657 20.510 1.00 25.00 H new ATOM 0 HG22 THR B 57 22.074 -5.515 19.668 1.00 25.00 H new ATOM 0 HG23 THR B 57 22.204 -3.766 19.970 1.00 25.00 H new ATOM 735 N PRO B 58 23.985 -5.492 17.093 1.00 25.00 N ATOM 736 CA PRO B 58 24.640 -6.805 16.939 1.00 25.00 C ATOM 737 C PRO B 58 24.428 -7.683 18.187 1.00 25.00 C ATOM 738 O PRO B 58 24.166 -7.228 19.279 1.00 25.00 O ATOM 739 CB PRO B 58 26.123 -6.488 16.761 1.00 25.00 C ATOM 740 CG PRO B 58 26.300 -5.181 17.470 1.00 25.00 C ATOM 741 CD PRO B 58 24.971 -4.420 17.262 1.00 25.00 C ATOM 0 HA PRO B 58 24.229 -7.362 16.097 1.00 25.00 H new ATOM 0 HB2 PRO B 58 26.752 -7.266 17.194 1.00 25.00 H new ATOM 0 HB3 PRO B 58 26.391 -6.410 15.707 1.00 25.00 H new ATOM 0 HG2 PRO B 58 26.504 -5.333 18.530 1.00 25.00 H new ATOM 0 HG3 PRO B 58 27.141 -4.622 17.060 1.00 25.00 H new ATOM 0 HD2 PRO B 58 24.733 -3.787 18.117 1.00 25.00 H new ATOM 0 HD3 PRO B 58 25.013 -3.771 16.387 1.00 25.00 H new ATOM 749 N LYS B 59 24.559 -8.989 17.967 1.00 25.00 N ATOM 750 CA LYS B 59 24.401 -9.993 19.002 1.00 25.00 C ATOM 751 C LYS B 59 25.683 -10.842 19.220 1.00 25.00 C ATOM 752 O LYS B 59 25.908 -11.467 20.280 1.00 25.00 O ATOM 753 CB LYS B 59 23.238 -10.911 18.664 1.00 25.00 C ATOM 754 CG LYS B 59 22.670 -11.694 19.889 1.00 25.00 C ATOM 755 CD LYS B 59 21.270 -12.191 19.587 1.00 25.00 C ATOM 756 CE LYS B 59 20.663 -12.948 20.834 1.00 25.00 C ATOM 757 NZ LYS B 59 21.374 -14.236 21.119 1.00 25.00 N ATOM 0 H LYS B 59 24.781 -9.379 17.051 1.00 25.00 H new ATOM 0 HA LYS B 59 24.204 -9.458 19.931 1.00 25.00 H new ATOM 0 HB2 LYS B 59 22.437 -10.318 18.222 1.00 25.00 H new ATOM 0 HB3 LYS B 59 23.561 -11.626 17.907 1.00 25.00 H new ATOM 0 HG2 LYS B 59 23.320 -12.536 20.125 1.00 25.00 H new ATOM 0 HG3 LYS B 59 22.653 -11.048 20.767 1.00 25.00 H new ATOM 0 HD2 LYS B 59 20.630 -11.350 19.320 1.00 25.00 H new ATOM 0 HD3 LYS B 59 21.294 -12.859 18.726 1.00 25.00 H new ATOM 0 HE2 LYS B 59 20.719 -12.303 21.711 1.00 25.00 H new ATOM 0 HE3 LYS B 59 19.607 -13.150 20.655 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 20.919 -14.713 21.924 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 21.328 -14.851 20.281 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 22.369 -14.040 21.350 1.00 25.00 H new ATOM 771 N THR B 60 26.459 -10.866 18.167 1.00 25.00 N ATOM 772 CA THR B 60 27.752 -11.618 18.148 1.00 25.00 C ATOM 773 C THR B 60 28.909 -10.693 17.711 1.00 25.00 C ATOM 774 O THR B 60 30.060 -10.996 17.841 1.00 25.00 O ATOM 775 CB THR B 60 27.657 -12.829 17.220 1.00 25.00 C ATOM 776 OG1 THR B 60 26.470 -12.702 16.441 1.00 25.00 O ATOM 777 CG2 THR B 60 27.622 -14.157 17.979 1.00 25.00 C ATOM 778 OXT THR B 60 28.551 -9.592 17.109 1.00 25.00 O ATOM 0 H THR B 60 26.244 -10.382 17.295 1.00 25.00 H new ATOM 0 HA THR B 60 27.956 -11.974 19.158 1.00 25.00 H new ATOM 0 HB THR B 60 28.549 -12.844 16.594 1.00 25.00 H new ATOM 0 HG1 THR B 60 26.392 -13.470 15.837 1.00 25.00 H new ATOM 0 HG21 THR B 60 27.554 -14.981 17.268 1.00 25.00 H new ATOM 0 HG22 THR B 60 28.531 -14.262 18.571 1.00 25.00 H new ATOM 0 HG23 THR B 60 26.755 -14.176 18.640 1.00 25.00 H new TER 787 THR B 60