USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=10 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 15 GLN : amide:sc= 0.0011 X(o=0.002,f=-0.15) USER MOD Set 1.2: A 19 TYR OH : rot 30:sc=0.000871 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.14) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0165 X(o=-0.016,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.0654 K(o=-0.065,f=-1.5) USER MOD Single : B 33 ASN : amide:sc= -0.0376 K(o=-0.038,f=-1.9!) USER MOD Single : B 34 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : B 35 HIS : no HD1:sc= -0.0189 X(o=-0.019,f=-0.41) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc= -0.0668 X(o=-0.067,f=0) USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= 0.00765 X(o=0.0076,f=-0.041) USER MOD Single : B 56 TYR OH : rot 180:sc= 0 USER MOD Single : B 57 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 THR OG1 : rot 180:sc= 0.0836 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.762 0.521 1.339 1.00 25.00 N ATOM 2 CA GLY A 1 3.047 0.691 -0.110 1.00 25.00 C ATOM 3 C GLY A 1 4.023 -0.336 -0.717 1.00 25.00 C ATOM 4 O GLY A 1 3.727 -1.061 -1.664 1.00 25.00 O ATOM 0 H1 GLY A 1 2.097 1.258 1.651 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.342 -0.416 1.503 1.00 25.00 H new ATOM 0 H3 GLY A 1 3.647 0.602 1.879 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.105 0.639 -0.657 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.453 1.690 -0.268 1.00 25.00 H new ATOM 9 N ILE A 2 5.173 -0.479 -0.119 1.00 25.00 N ATOM 10 CA ILE A 2 6.133 -1.533 -0.531 1.00 25.00 C ATOM 11 C ILE A 2 5.523 -2.943 -0.435 1.00 25.00 C ATOM 12 O ILE A 2 5.855 -3.795 -1.260 1.00 25.00 O ATOM 13 CB ILE A 2 7.378 -1.453 0.382 1.00 25.00 C ATOM 14 CG1 ILE A 2 8.382 -2.529 -0.057 1.00 25.00 C ATOM 15 CG2 ILE A 2 7.039 -1.574 1.891 1.00 25.00 C ATOM 16 CD1 ILE A 2 9.724 -2.367 0.587 1.00 25.00 C ATOM 0 H ILE A 2 5.491 0.105 0.654 1.00 25.00 H new ATOM 0 HA ILE A 2 6.400 -1.360 -1.574 1.00 25.00 H new ATOM 0 HB ILE A 2 7.819 -0.463 0.267 1.00 25.00 H new ATOM 0 HG12 ILE A 2 7.983 -3.513 0.188 1.00 25.00 H new ATOM 0 HG13 ILE A 2 8.497 -2.492 -1.140 1.00 25.00 H new ATOM 0 HG21 ILE A 2 7.956 -1.510 2.476 1.00 25.00 H new ATOM 0 HG22 ILE A 2 6.368 -0.765 2.179 1.00 25.00 H new ATOM 0 HG23 ILE A 2 6.554 -2.532 2.079 1.00 25.00 H new ATOM 0 HD11 ILE A 2 10.392 -3.155 0.239 1.00 25.00 H new ATOM 0 HD12 ILE A 2 10.140 -1.395 0.321 1.00 25.00 H new ATOM 0 HD13 ILE A 2 9.618 -2.433 1.670 1.00 25.00 H new ATOM 28 N VAL A 3 4.715 -3.193 0.559 1.00 25.00 N ATOM 29 CA VAL A 3 4.109 -4.523 0.739 1.00 25.00 C ATOM 30 C VAL A 3 3.235 -4.783 -0.518 1.00 25.00 C ATOM 31 O VAL A 3 3.446 -5.792 -1.210 1.00 25.00 O ATOM 32 CB VAL A 3 3.260 -4.630 2.078 1.00 25.00 C ATOM 33 CG1 VAL A 3 2.629 -6.036 2.223 1.00 25.00 C ATOM 34 CG2 VAL A 3 4.183 -4.361 3.330 1.00 25.00 C ATOM 0 H VAL A 3 4.449 -2.507 1.266 1.00 25.00 H new ATOM 0 HA VAL A 3 4.886 -5.281 0.840 1.00 25.00 H new ATOM 0 HB VAL A 3 2.468 -3.883 2.029 1.00 25.00 H new ATOM 0 HG11 VAL A 3 2.053 -6.083 3.147 1.00 25.00 H new ATOM 0 HG12 VAL A 3 1.971 -6.229 1.376 1.00 25.00 H new ATOM 0 HG13 VAL A 3 3.418 -6.788 2.248 1.00 25.00 H new ATOM 0 HG21 VAL A 3 3.591 -4.437 4.242 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.985 -5.099 3.356 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.612 -3.361 3.258 1.00 25.00 H new ATOM 44 N GLU A 4 2.258 -3.925 -0.809 1.00 25.00 N ATOM 45 CA GLU A 4 1.338 -4.208 -1.906 1.00 25.00 C ATOM 46 C GLU A 4 2.004 -4.131 -3.300 1.00 25.00 C ATOM 47 O GLU A 4 1.469 -4.637 -4.251 1.00 25.00 O ATOM 48 CB GLU A 4 0.119 -3.275 -1.853 1.00 25.00 C ATOM 49 CG GLU A 4 0.399 -1.811 -2.186 1.00 25.00 C ATOM 50 CD GLU A 4 -0.815 -0.952 -2.030 1.00 25.00 C ATOM 51 OE1 GLU A 4 -0.901 -0.078 -1.212 1.00 25.00 O ATOM 52 OE2 GLU A 4 -1.789 -1.285 -2.808 1.00 25.00 O ATOM 0 H GLU A 4 2.086 -3.050 -0.314 1.00 25.00 H new ATOM 0 HA GLU A 4 1.014 -5.239 -1.767 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -0.634 -3.650 -2.546 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.313 -3.326 -0.854 1.00 25.00 H new ATOM 0 HG2 GLU A 4 1.191 -1.438 -1.537 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.765 -1.737 -3.210 1.00 25.00 H new ATOM 60 N GLN A 5 3.156 -3.492 -3.399 1.00 25.00 N ATOM 61 CA GLN A 5 3.877 -3.401 -4.650 1.00 25.00 C ATOM 62 C GLN A 5 4.776 -4.626 -4.925 1.00 25.00 C ATOM 63 O GLN A 5 4.897 -5.020 -6.075 1.00 25.00 O ATOM 64 CB GLN A 5 4.712 -2.084 -4.650 1.00 25.00 C ATOM 65 CG GLN A 5 5.310 -1.743 -6.008 1.00 25.00 C ATOM 66 CD GLN A 5 4.253 -1.575 -7.086 1.00 25.00 C ATOM 67 OE1 GLN A 5 4.318 -2.219 -8.119 1.00 25.00 O ATOM 68 NE2 GLN A 5 3.350 -0.658 -6.908 1.00 25.00 N ATOM 0 H GLN A 5 3.614 -3.024 -2.617 1.00 25.00 H new ATOM 0 HA GLN A 5 3.147 -3.387 -5.459 1.00 25.00 H new ATOM 0 HB2 GLN A 5 4.076 -1.260 -4.325 1.00 25.00 H new ATOM 0 HB3 GLN A 5 5.516 -2.173 -3.920 1.00 25.00 H new ATOM 0 HG2 GLN A 5 5.889 -0.823 -5.925 1.00 25.00 H new ATOM 0 HG3 GLN A 5 6.003 -2.530 -6.304 1.00 25.00 H new ATOM 0 HE21 GLN A 5 3.320 -0.135 -6.033 1.00 25.00 H new ATOM 0 HE22 GLN A 5 2.671 -0.461 -7.643 1.00 25.00 H new ATOM 77 N CYS A 6 5.427 -5.203 -3.893 1.00 25.00 N ATOM 78 CA CYS A 6 6.389 -6.312 -4.106 1.00 25.00 C ATOM 79 C CYS A 6 5.828 -7.735 -3.813 1.00 25.00 C ATOM 80 O CYS A 6 6.380 -8.755 -4.256 1.00 25.00 O ATOM 81 CB CYS A 6 7.626 -6.096 -3.215 1.00 25.00 C ATOM 82 SG CYS A 6 9.123 -5.525 -4.093 1.00 25.00 S ATOM 0 H CYS A 6 5.309 -4.927 -2.918 1.00 25.00 H new ATOM 0 HA CYS A 6 6.629 -6.282 -5.169 1.00 25.00 H new ATOM 0 HB2 CYS A 6 7.376 -5.368 -2.443 1.00 25.00 H new ATOM 0 HB3 CYS A 6 7.857 -7.032 -2.707 1.00 25.00 H new ATOM 87 N CYS A 7 4.805 -7.771 -2.939 1.00 25.00 N ATOM 88 CA CYS A 7 4.199 -9.001 -2.475 1.00 25.00 C ATOM 89 C CYS A 7 3.069 -9.424 -3.430 1.00 25.00 C ATOM 90 O CYS A 7 1.973 -9.841 -3.030 1.00 25.00 O ATOM 91 CB CYS A 7 3.695 -8.898 -1.061 1.00 25.00 C ATOM 92 SG CYS A 7 3.137 -10.482 -0.346 1.00 25.00 S ATOM 0 H CYS A 7 4.383 -6.932 -2.541 1.00 25.00 H new ATOM 0 HA CYS A 7 4.974 -9.767 -2.473 1.00 25.00 H new ATOM 0 HB2 CYS A 7 4.487 -8.489 -0.434 1.00 25.00 H new ATOM 0 HB3 CYS A 7 2.868 -8.189 -1.033 1.00 25.00 H new ATOM 97 N THR A 8 3.366 -9.311 -4.710 1.00 25.00 N ATOM 98 CA THR A 8 2.456 -9.743 -5.759 1.00 25.00 C ATOM 99 C THR A 8 3.324 -10.053 -6.982 1.00 25.00 C ATOM 100 O THR A 8 4.142 -9.258 -7.348 1.00 25.00 O ATOM 101 CB THR A 8 1.427 -8.654 -6.095 1.00 25.00 C ATOM 102 OG1 THR A 8 0.881 -8.927 -7.408 1.00 25.00 O ATOM 103 CG2 THR A 8 2.064 -7.255 -6.079 1.00 25.00 C ATOM 0 H THR A 8 4.242 -8.918 -5.054 1.00 25.00 H new ATOM 0 HA THR A 8 1.889 -10.616 -5.437 1.00 25.00 H new ATOM 0 HB THR A 8 0.640 -8.668 -5.341 1.00 25.00 H new ATOM 0 HG1 THR A 8 0.220 -8.240 -7.637 1.00 25.00 H new ATOM 0 HG21 THR A 8 1.308 -6.508 -6.321 1.00 25.00 H new ATOM 0 HG22 THR A 8 2.471 -7.052 -5.088 1.00 25.00 H new ATOM 0 HG23 THR A 8 2.866 -7.212 -6.816 1.00 25.00 H new ATOM 111 N SER A 9 3.182 -11.267 -7.538 1.00 25.00 N ATOM 112 CA SER A 9 4.047 -11.754 -8.614 1.00 25.00 C ATOM 113 C SER A 9 5.537 -11.676 -8.302 1.00 25.00 C ATOM 114 O SER A 9 6.347 -11.675 -9.226 1.00 25.00 O ATOM 115 CB SER A 9 3.781 -10.983 -9.904 1.00 25.00 C ATOM 116 OG SER A 9 3.892 -11.827 -11.016 1.00 25.00 O ATOM 0 H SER A 9 2.465 -11.934 -7.252 1.00 25.00 H new ATOM 0 HA SER A 9 3.795 -12.809 -8.726 1.00 25.00 H new ATOM 0 HB2 SER A 9 2.784 -10.544 -9.872 1.00 25.00 H new ATOM 0 HB3 SER A 9 4.489 -10.159 -9.994 1.00 25.00 H new ATOM 0 HG SER A 9 3.717 -11.316 -11.834 1.00 25.00 H new ATOM 122 N ILE A 10 5.845 -11.626 -7.000 1.00 25.00 N ATOM 123 CA ILE A 10 7.177 -11.550 -6.402 1.00 25.00 C ATOM 124 C ILE A 10 8.199 -10.753 -7.219 1.00 25.00 C ATOM 125 O ILE A 10 8.795 -11.231 -8.152 1.00 25.00 O ATOM 126 CB ILE A 10 7.704 -12.963 -6.068 1.00 25.00 C ATOM 127 CG1 ILE A 10 6.704 -13.721 -5.152 1.00 25.00 C ATOM 128 CG2 ILE A 10 9.090 -12.886 -5.239 1.00 25.00 C ATOM 129 CD1 ILE A 10 6.159 -12.959 -3.920 1.00 25.00 C ATOM 0 H ILE A 10 5.114 -11.639 -6.288 1.00 25.00 H new ATOM 0 HA ILE A 10 7.053 -10.983 -5.480 1.00 25.00 H new ATOM 0 HB ILE A 10 7.841 -13.473 -7.021 1.00 25.00 H new ATOM 0 HG12 ILE A 10 5.855 -14.030 -5.761 1.00 25.00 H new ATOM 0 HG13 ILE A 10 7.191 -14.630 -4.799 1.00 25.00 H new ATOM 0 HG21 ILE A 10 9.438 -13.895 -5.017 1.00 25.00 H new ATOM 0 HG22 ILE A 10 9.841 -12.365 -5.833 1.00 25.00 H new ATOM 0 HG23 ILE A 10 8.927 -12.346 -4.307 1.00 25.00 H new ATOM 0 HD11 ILE A 10 5.473 -13.602 -3.369 1.00 25.00 H new ATOM 0 HD12 ILE A 10 6.988 -12.673 -3.273 1.00 25.00 H new ATOM 0 HD13 ILE A 10 5.631 -12.064 -4.250 1.00 25.00 H new ATOM 141 N CYS A 11 8.404 -9.508 -6.783 1.00 25.00 N ATOM 142 CA CYS A 11 9.367 -8.584 -7.443 1.00 25.00 C ATOM 143 C CYS A 11 10.820 -9.157 -7.461 1.00 25.00 C ATOM 144 O CYS A 11 11.203 -9.904 -6.562 1.00 25.00 O ATOM 145 CB CYS A 11 9.293 -7.200 -6.730 1.00 25.00 C ATOM 146 SG CYS A 11 9.851 -7.177 -4.995 1.00 25.00 S ATOM 0 H CYS A 11 7.924 -9.105 -5.979 1.00 25.00 H new ATOM 0 HA CYS A 11 9.089 -8.467 -8.490 1.00 25.00 H new ATOM 0 HB2 CYS A 11 9.894 -6.488 -7.296 1.00 25.00 H new ATOM 0 HB3 CYS A 11 8.262 -6.847 -6.766 1.00 25.00 H new ATOM 151 N SER A 12 11.597 -8.808 -8.463 1.00 25.00 N ATOM 152 CA SER A 12 13.012 -9.169 -8.520 1.00 25.00 C ATOM 153 C SER A 12 13.901 -8.300 -7.604 1.00 25.00 C ATOM 154 O SER A 12 13.498 -7.230 -7.160 1.00 25.00 O ATOM 155 CB SER A 12 13.522 -9.086 -9.953 1.00 25.00 C ATOM 156 OG SER A 12 12.497 -9.518 -10.850 1.00 25.00 O ATOM 0 H SER A 12 11.274 -8.266 -9.265 1.00 25.00 H new ATOM 0 HA SER A 12 13.080 -10.194 -8.154 1.00 25.00 H new ATOM 0 HB2 SER A 12 13.817 -8.063 -10.187 1.00 25.00 H new ATOM 0 HB3 SER A 12 14.409 -9.708 -10.071 1.00 25.00 H new ATOM 0 HG SER A 12 12.825 -9.463 -11.772 1.00 25.00 H new ATOM 162 N LEU A 13 15.157 -8.722 -7.441 1.00 25.00 N ATOM 163 CA LEU A 13 16.148 -7.985 -6.614 1.00 25.00 C ATOM 164 C LEU A 13 16.433 -6.627 -7.290 1.00 25.00 C ATOM 165 O LEU A 13 16.768 -5.681 -6.643 1.00 25.00 O ATOM 166 CB LEU A 13 17.469 -8.837 -6.504 1.00 25.00 C ATOM 167 CG LEU A 13 18.607 -8.215 -5.650 1.00 25.00 C ATOM 168 CD1 LEU A 13 18.202 -7.992 -4.184 1.00 25.00 C ATOM 169 CD2 LEU A 13 19.846 -9.190 -5.676 1.00 25.00 C ATOM 0 H LEU A 13 15.524 -9.572 -7.868 1.00 25.00 H new ATOM 0 HA LEU A 13 15.761 -7.815 -5.609 1.00 25.00 H new ATOM 0 HB2 LEU A 13 17.217 -9.811 -6.084 1.00 25.00 H new ATOM 0 HB3 LEU A 13 17.850 -9.013 -7.510 1.00 25.00 H new ATOM 0 HG LEU A 13 18.842 -7.242 -6.081 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.038 -7.555 -3.638 1.00 25.00 H new ATOM 0 HD12 LEU A 13 17.348 -7.316 -4.141 1.00 25.00 H new ATOM 0 HD13 LEU A 13 17.932 -8.946 -3.732 1.00 25.00 H new ATOM 0 HD21 LEU A 13 20.655 -8.767 -5.080 1.00 25.00 H new ATOM 0 HD22 LEU A 13 19.557 -10.156 -5.262 1.00 25.00 H new ATOM 0 HD23 LEU A 13 20.184 -9.322 -6.704 1.00 25.00 H new ATOM 181 N TYR A 14 16.333 -6.552 -8.596 1.00 25.00 N ATOM 182 CA TYR A 14 16.561 -5.314 -9.364 1.00 25.00 C ATOM 183 C TYR A 14 15.695 -4.200 -8.822 1.00 25.00 C ATOM 184 O TYR A 14 16.157 -3.120 -8.615 1.00 25.00 O ATOM 185 CB TYR A 14 16.266 -5.579 -10.837 1.00 25.00 C ATOM 186 CG TYR A 14 16.850 -4.527 -11.751 1.00 25.00 C ATOM 187 CD1 TYR A 14 18.199 -4.592 -12.173 1.00 25.00 C ATOM 188 CD2 TYR A 14 16.059 -3.449 -12.208 1.00 25.00 C ATOM 189 CE1 TYR A 14 18.715 -3.629 -13.065 1.00 25.00 C ATOM 190 CE2 TYR A 14 16.588 -2.454 -13.092 1.00 25.00 C ATOM 191 CZ TYR A 14 17.895 -2.585 -13.521 1.00 25.00 C ATOM 192 OH TYR A 14 18.371 -1.615 -14.346 1.00 25.00 O ATOM 0 H TYR A 14 16.088 -7.352 -9.180 1.00 25.00 H new ATOM 0 HA TYR A 14 17.601 -5.002 -9.267 1.00 25.00 H new ATOM 0 HB2 TYR A 14 16.665 -6.555 -11.113 1.00 25.00 H new ATOM 0 HB3 TYR A 14 15.187 -5.623 -10.984 1.00 25.00 H new ATOM 0 HD1 TYR A 14 18.837 -5.384 -11.810 1.00 25.00 H new ATOM 0 HD2 TYR A 14 15.032 -3.374 -11.883 1.00 25.00 H new ATOM 0 HE1 TYR A 14 19.741 -3.695 -13.397 1.00 25.00 H new ATOM 0 HE2 TYR A 14 15.980 -1.622 -13.415 1.00 25.00 H new ATOM 0 HH TYR A 14 17.653 -0.981 -14.553 1.00 25.00 H new ATOM 202 N GLN A 15 14.436 -4.499 -8.495 1.00 25.00 N ATOM 203 CA GLN A 15 13.586 -3.439 -7.910 1.00 25.00 C ATOM 204 C GLN A 15 13.752 -3.457 -6.402 1.00 25.00 C ATOM 205 O GLN A 15 13.595 -2.413 -5.759 1.00 25.00 O ATOM 206 CB GLN A 15 12.154 -3.667 -8.337 1.00 25.00 C ATOM 207 CG GLN A 15 11.228 -2.531 -7.887 1.00 25.00 C ATOM 208 CD GLN A 15 9.815 -2.698 -8.348 1.00 25.00 C ATOM 209 OE1 GLN A 15 9.592 -2.998 -9.491 1.00 25.00 O ATOM 210 NE2 GLN A 15 8.875 -2.605 -7.470 1.00 25.00 N ATOM 0 H GLN A 15 13.993 -5.410 -8.613 1.00 25.00 H new ATOM 0 HA GLN A 15 13.882 -2.452 -8.265 1.00 25.00 H new ATOM 0 HB2 GLN A 15 12.111 -3.761 -9.422 1.00 25.00 H new ATOM 0 HB3 GLN A 15 11.798 -4.610 -7.921 1.00 25.00 H new ATOM 0 HG2 GLN A 15 11.242 -2.470 -6.799 1.00 25.00 H new ATOM 0 HG3 GLN A 15 11.616 -1.585 -8.264 1.00 25.00 H new ATOM 0 HE21 GLN A 15 9.099 -2.348 -6.509 1.00 25.00 H new ATOM 0 HE22 GLN A 15 7.908 -2.788 -7.737 1.00 25.00 H new ATOM 219 N LEU A 16 13.964 -4.616 -5.816 1.00 25.00 N ATOM 220 CA LEU A 16 14.036 -4.696 -4.366 1.00 25.00 C ATOM 221 C LEU A 16 15.182 -3.880 -3.762 1.00 25.00 C ATOM 222 O LEU A 16 15.014 -3.218 -2.718 1.00 25.00 O ATOM 223 CB LEU A 16 14.109 -6.125 -3.937 1.00 25.00 C ATOM 224 CG LEU A 16 13.853 -6.335 -2.437 1.00 25.00 C ATOM 225 CD1 LEU A 16 12.715 -7.318 -2.304 1.00 25.00 C ATOM 226 CD2 LEU A 16 15.077 -6.835 -1.721 1.00 25.00 C ATOM 0 H LEU A 16 14.088 -5.502 -6.306 1.00 25.00 H new ATOM 0 HA LEU A 16 13.122 -4.245 -3.980 1.00 25.00 H new ATOM 0 HB2 LEU A 16 13.380 -6.703 -4.505 1.00 25.00 H new ATOM 0 HB3 LEU A 16 15.094 -6.520 -4.187 1.00 25.00 H new ATOM 0 HG LEU A 16 13.598 -5.382 -1.973 1.00 25.00 H new ATOM 0 HD11 LEU A 16 12.505 -7.491 -1.248 1.00 25.00 H new ATOM 0 HD12 LEU A 16 11.826 -6.914 -2.789 1.00 25.00 H new ATOM 0 HD13 LEU A 16 12.990 -8.260 -2.779 1.00 25.00 H new ATOM 0 HD21 LEU A 16 14.850 -6.969 -0.663 1.00 25.00 H new ATOM 0 HD22 LEU A 16 15.385 -7.788 -2.150 1.00 25.00 H new ATOM 0 HD23 LEU A 16 15.884 -6.110 -1.830 1.00 25.00 H new ATOM 238 N GLU A 17 16.272 -3.785 -4.534 1.00 25.00 N ATOM 239 CA GLU A 17 17.412 -2.933 -4.167 1.00 25.00 C ATOM 240 C GLU A 17 17.050 -1.439 -4.115 1.00 25.00 C ATOM 241 O GLU A 17 17.697 -0.643 -3.440 1.00 25.00 O ATOM 242 CB GLU A 17 18.538 -3.083 -5.194 1.00 25.00 C ATOM 243 CG GLU A 17 19.428 -4.290 -4.975 1.00 25.00 C ATOM 244 CD GLU A 17 20.647 -4.289 -5.854 1.00 25.00 C ATOM 245 OE1 GLU A 17 20.909 -3.391 -6.607 1.00 25.00 O ATOM 246 OE2 GLU A 17 21.344 -5.349 -5.742 1.00 25.00 O ATOM 0 H GLU A 17 16.389 -4.286 -5.415 1.00 25.00 H new ATOM 0 HA GLU A 17 17.721 -3.262 -3.175 1.00 25.00 H new ATOM 0 HB2 GLU A 17 18.099 -3.146 -6.190 1.00 25.00 H new ATOM 0 HB3 GLU A 17 19.154 -2.184 -5.174 1.00 25.00 H new ATOM 0 HG2 GLU A 17 19.740 -4.320 -3.931 1.00 25.00 H new ATOM 0 HG3 GLU A 17 18.853 -5.197 -5.162 1.00 25.00 H new ATOM 254 N ASN A 18 16.030 -1.021 -4.866 1.00 25.00 N ATOM 255 CA ASN A 18 15.649 0.383 -4.854 1.00 25.00 C ATOM 256 C ASN A 18 15.132 0.753 -3.467 1.00 25.00 C ATOM 257 O ASN A 18 15.227 1.924 -3.060 1.00 25.00 O ATOM 258 CB ASN A 18 14.535 0.633 -5.917 1.00 25.00 C ATOM 259 CG ASN A 18 14.304 2.074 -6.162 1.00 25.00 C ATOM 260 OD1 ASN A 18 13.212 2.546 -5.970 1.00 25.00 O ATOM 261 ND2 ASN A 18 15.326 2.752 -6.657 1.00 25.00 N ATOM 0 H ASN A 18 15.469 -1.619 -5.473 1.00 25.00 H new ATOM 0 HA ASN A 18 16.516 0.999 -5.094 1.00 25.00 H new ATOM 0 HB2 ASN A 18 14.814 0.148 -6.853 1.00 25.00 H new ATOM 0 HB3 ASN A 18 13.606 0.170 -5.582 1.00 25.00 H new ATOM 0 HD21 ASN A 18 15.215 3.736 -6.901 1.00 25.00 H new ATOM 0 HD22 ASN A 18 16.225 2.291 -6.795 1.00 25.00 H new ATOM 268 N TYR A 19 14.567 -0.205 -2.710 1.00 25.00 N ATOM 269 CA TYR A 19 14.019 0.063 -1.381 1.00 25.00 C ATOM 270 C TYR A 19 15.151 0.210 -0.382 1.00 25.00 C ATOM 271 O TYR A 19 14.941 0.749 0.700 1.00 25.00 O ATOM 272 CB TYR A 19 13.068 -1.087 -0.947 1.00 25.00 C ATOM 273 CG TYR A 19 11.874 -1.206 -1.821 1.00 25.00 C ATOM 274 CD1 TYR A 19 10.874 -0.200 -1.815 1.00 25.00 C ATOM 275 CD2 TYR A 19 11.682 -2.318 -2.690 1.00 25.00 C ATOM 276 CE1 TYR A 19 9.779 -0.253 -2.669 1.00 25.00 C ATOM 277 CE2 TYR A 19 10.595 -2.400 -3.556 1.00 25.00 C ATOM 278 CZ TYR A 19 9.636 -1.311 -3.541 1.00 25.00 C ATOM 279 OH TYR A 19 8.579 -1.302 -4.426 1.00 25.00 O ATOM 0 H TYR A 19 14.481 -1.178 -3.005 1.00 25.00 H new ATOM 0 HA TYR A 19 13.448 0.991 -1.414 1.00 25.00 H new ATOM 0 HB2 TYR A 19 13.616 -2.029 -0.958 1.00 25.00 H new ATOM 0 HB3 TYR A 19 12.745 -0.918 0.080 1.00 25.00 H new ATOM 0 HD1 TYR A 19 10.966 0.629 -1.129 1.00 25.00 H new ATOM 0 HD2 TYR A 19 12.402 -3.123 -2.677 1.00 25.00 H new ATOM 0 HE1 TYR A 19 9.040 0.535 -2.650 1.00 25.00 H new ATOM 0 HE2 TYR A 19 10.470 -3.245 -4.216 1.00 25.00 H new ATOM 0 HH TYR A 19 8.348 -0.376 -4.650 1.00 25.00 H new ATOM 289 N CYS A 20 16.334 -0.226 -0.769 1.00 25.00 N ATOM 290 CA CYS A 20 17.518 -0.040 0.094 1.00 25.00 C ATOM 291 C CYS A 20 17.929 1.440 0.081 1.00 25.00 C ATOM 292 O CYS A 20 18.755 1.835 0.879 1.00 25.00 O ATOM 293 CB CYS A 20 18.740 -0.835 -0.375 1.00 25.00 C ATOM 294 SG CYS A 20 18.667 -2.636 -0.341 1.00 25.00 S ATOM 0 H CYS A 20 16.515 -0.703 -1.652 1.00 25.00 H new ATOM 0 HA CYS A 20 17.227 -0.391 1.084 1.00 25.00 H new ATOM 0 HB2 CYS A 20 18.958 -0.532 -1.399 1.00 25.00 H new ATOM 0 HB3 CYS A 20 19.589 -0.527 0.236 1.00 25.00 H new ATOM 299 N ASN A 21 17.391 2.220 -0.887 1.00 25.00 N ATOM 300 CA ASN A 21 17.697 3.653 -1.102 1.00 25.00 C ATOM 301 C ASN A 21 19.177 3.962 -1.416 1.00 25.00 C ATOM 302 O ASN A 21 19.540 4.330 -2.510 1.00 25.00 O ATOM 303 CB ASN A 21 17.201 4.492 0.088 1.00 25.00 C ATOM 304 CG ASN A 21 17.128 5.980 -0.185 1.00 25.00 C ATOM 305 OD1 ASN A 21 18.041 6.644 -0.606 1.00 25.00 O ATOM 306 ND2 ASN A 21 15.992 6.541 0.138 1.00 25.00 N ATOM 307 OXT ASN A 21 19.995 3.804 -0.417 1.00 25.00 O ATOM 0 H ASN A 21 16.713 1.859 -1.558 1.00 25.00 H new ATOM 0 HA ASN A 21 17.155 3.933 -2.005 1.00 25.00 H new ATOM 0 HB2 ASN A 21 16.212 4.139 0.379 1.00 25.00 H new ATOM 0 HB3 ASN A 21 17.862 4.322 0.938 1.00 25.00 H new ATOM 0 HD21 ASN A 21 15.873 7.549 0.034 1.00 25.00 H new ATOM 0 HD22 ASN A 21 15.225 5.971 0.494 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 31 16.086 -12.813 -10.024 1.00 25.00 N ATOM 317 CA PHE B 31 16.094 -13.264 -8.628 1.00 25.00 C ATOM 318 C PHE B 31 14.719 -13.451 -8.058 1.00 25.00 C ATOM 319 O PHE B 31 13.778 -12.851 -8.458 1.00 25.00 O ATOM 320 CB PHE B 31 16.874 -12.252 -7.743 1.00 25.00 C ATOM 321 CG PHE B 31 17.167 -12.681 -6.332 1.00 25.00 C ATOM 322 CD1 PHE B 31 18.219 -13.541 -6.061 1.00 25.00 C ATOM 323 CD2 PHE B 31 16.420 -12.160 -5.242 1.00 25.00 C ATOM 324 CE1 PHE B 31 18.541 -13.876 -4.774 1.00 25.00 C ATOM 325 CE2 PHE B 31 16.772 -12.544 -3.926 1.00 25.00 C ATOM 326 CZ PHE B 31 17.809 -13.424 -3.682 1.00 25.00 C ATOM 0 HA PHE B 31 16.584 -14.237 -8.625 1.00 25.00 H new ATOM 0 HB2 PHE B 31 17.821 -12.028 -8.235 1.00 25.00 H new ATOM 0 HB3 PHE B 31 16.306 -11.323 -7.706 1.00 25.00 H new ATOM 0 HD1 PHE B 31 18.793 -13.953 -6.878 1.00 25.00 H new ATOM 0 HD2 PHE B 31 15.597 -11.482 -5.415 1.00 25.00 H new ATOM 0 HE1 PHE B 31 19.395 -14.515 -4.600 1.00 25.00 H new ATOM 0 HE2 PHE B 31 16.217 -12.140 -3.093 1.00 25.00 H new ATOM 0 HZ PHE B 31 18.042 -13.749 -2.679 1.00 25.00 H new ATOM 337 N VAL B 32 14.610 -14.318 -7.003 1.00 25.00 N ATOM 338 CA VAL B 32 13.332 -14.560 -6.350 1.00 25.00 C ATOM 339 C VAL B 32 13.575 -14.364 -4.843 1.00 25.00 C ATOM 340 O VAL B 32 14.489 -14.930 -4.262 1.00 25.00 O ATOM 341 CB VAL B 32 12.781 -16.009 -6.698 1.00 25.00 C ATOM 342 CG1 VAL B 32 13.805 -17.175 -6.270 1.00 25.00 C ATOM 343 CG2 VAL B 32 11.414 -16.205 -6.053 1.00 25.00 C ATOM 0 H VAL B 32 15.392 -14.841 -6.610 1.00 25.00 H new ATOM 0 HA VAL B 32 12.563 -13.870 -6.698 1.00 25.00 H new ATOM 0 HB VAL B 32 12.678 -16.079 -7.781 1.00 25.00 H new ATOM 0 HG11 VAL B 32 13.381 -18.145 -6.530 1.00 25.00 H new ATOM 0 HG12 VAL B 32 14.750 -17.040 -6.795 1.00 25.00 H new ATOM 0 HG13 VAL B 32 13.978 -17.131 -5.195 1.00 25.00 H new ATOM 0 HG21 VAL B 32 11.038 -17.199 -6.293 1.00 25.00 H new ATOM 0 HG22 VAL B 32 11.504 -16.102 -4.972 1.00 25.00 H new ATOM 0 HG23 VAL B 32 10.721 -15.454 -6.433 1.00 25.00 H new ATOM 353 N ASN B 33 12.764 -13.522 -4.208 1.00 25.00 N ATOM 354 CA ASN B 33 12.946 -13.208 -2.787 1.00 25.00 C ATOM 355 C ASN B 33 11.906 -13.910 -1.924 1.00 25.00 C ATOM 356 O ASN B 33 11.551 -13.443 -0.838 1.00 25.00 O ATOM 357 CB ASN B 33 12.801 -11.673 -2.572 1.00 25.00 C ATOM 358 CG ASN B 33 13.705 -11.144 -1.412 1.00 25.00 C ATOM 359 OD1 ASN B 33 14.884 -10.993 -1.561 1.00 25.00 O ATOM 360 ND2 ASN B 33 13.134 -10.874 -0.273 1.00 25.00 N ATOM 0 H ASN B 33 11.977 -13.045 -4.649 1.00 25.00 H new ATOM 0 HA ASN B 33 13.939 -13.551 -2.496 1.00 25.00 H new ATOM 0 HB2 ASN B 33 13.059 -11.154 -3.495 1.00 25.00 H new ATOM 0 HB3 ASN B 33 11.760 -11.437 -2.354 1.00 25.00 H new ATOM 0 HD21 ASN B 33 13.692 -10.529 0.508 1.00 25.00 H new ATOM 0 HD22 ASN B 33 12.129 -11.008 -0.162 1.00 25.00 H new ATOM 367 N GLN B 34 11.484 -15.073 -2.421 1.00 25.00 N ATOM 368 CA GLN B 34 10.472 -15.884 -1.765 1.00 25.00 C ATOM 369 C GLN B 34 9.135 -15.173 -1.577 1.00 25.00 C ATOM 370 O GLN B 34 8.977 -14.017 -2.028 1.00 25.00 O ATOM 371 CB GLN B 34 10.994 -16.421 -0.420 1.00 25.00 C ATOM 372 CG GLN B 34 12.276 -17.246 -0.506 1.00 25.00 C ATOM 373 CD GLN B 34 12.444 -18.118 0.758 1.00 25.00 C ATOM 374 OE1 GLN B 34 11.881 -17.794 1.799 1.00 25.00 O ATOM 375 NE2 GLN B 34 13.110 -19.229 0.666 1.00 25.00 N ATOM 0 H GLN B 34 11.837 -15.474 -3.290 1.00 25.00 H new ATOM 0 HA GLN B 34 10.275 -16.718 -2.439 1.00 25.00 H new ATOM 0 HB2 GLN B 34 11.167 -15.577 0.248 1.00 25.00 H new ATOM 0 HB3 GLN B 34 10.216 -17.033 0.036 1.00 25.00 H new ATOM 0 HG2 GLN B 34 12.248 -17.881 -1.392 1.00 25.00 H new ATOM 0 HG3 GLN B 34 13.135 -16.584 -0.615 1.00 25.00 H new ATOM 0 HE21 GLN B 34 13.570 -19.477 -0.210 1.00 25.00 H new ATOM 0 HE22 GLN B 34 13.173 -19.854 1.470 1.00 25.00 H new ATOM 384 N HIS B 35 8.156 -15.890 -1.025 1.00 25.00 N ATOM 385 CA HIS B 35 6.798 -15.317 -0.835 1.00 25.00 C ATOM 386 C HIS B 35 6.756 -14.724 0.552 1.00 25.00 C ATOM 387 O HIS B 35 6.465 -15.459 1.516 1.00 25.00 O ATOM 388 CB HIS B 35 5.694 -16.382 -1.041 1.00 25.00 C ATOM 389 CG HIS B 35 5.560 -16.856 -2.471 1.00 25.00 C ATOM 390 ND1 HIS B 35 4.791 -16.190 -3.437 1.00 25.00 N ATOM 391 CD2 HIS B 35 6.116 -17.902 -3.150 1.00 25.00 C ATOM 392 CE1 HIS B 35 4.873 -16.852 -4.575 1.00 25.00 C ATOM 393 NE2 HIS B 35 5.652 -17.881 -4.422 1.00 25.00 N ATOM 0 H HIS B 35 8.261 -16.852 -0.703 1.00 25.00 H new ATOM 0 HA HIS B 35 6.602 -14.546 -1.580 1.00 25.00 H new ATOM 0 HB2 HIS B 35 5.906 -17.240 -0.403 1.00 25.00 H new ATOM 0 HB3 HIS B 35 4.739 -15.970 -0.714 1.00 25.00 H new ATOM 0 HD2 HIS B 35 6.808 -18.624 -2.742 1.00 25.00 H new ATOM 0 HE1 HIS B 35 4.371 -16.581 -5.492 1.00 25.00 H new ATOM 0 HE2 HIS B 35 5.878 -18.564 -5.145 1.00 25.00 H new ATOM 402 N LEU B 36 7.194 -13.465 0.686 1.00 25.00 N ATOM 403 CA LEU B 36 7.260 -12.776 1.992 1.00 25.00 C ATOM 404 C LEU B 36 6.297 -11.587 1.889 1.00 25.00 C ATOM 405 O LEU B 36 6.258 -10.970 0.810 1.00 25.00 O ATOM 406 CB LEU B 36 8.720 -12.312 2.259 1.00 25.00 C ATOM 407 CG LEU B 36 9.841 -13.373 2.159 1.00 25.00 C ATOM 408 CD1 LEU B 36 11.183 -12.658 2.437 1.00 25.00 C ATOM 409 CD2 LEU B 36 9.627 -14.583 3.116 1.00 25.00 C ATOM 0 H LEU B 36 7.511 -12.895 -0.098 1.00 25.00 H new ATOM 0 HA LEU B 36 6.976 -13.423 2.822 1.00 25.00 H new ATOM 0 HB2 LEU B 36 8.952 -11.512 1.556 1.00 25.00 H new ATOM 0 HB3 LEU B 36 8.757 -11.878 3.258 1.00 25.00 H new ATOM 0 HG LEU B 36 9.834 -13.806 1.159 1.00 25.00 H new ATOM 0 HD11 LEU B 36 11.999 -13.378 2.375 1.00 25.00 H new ATOM 0 HD12 LEU B 36 11.336 -11.871 1.698 1.00 25.00 H new ATOM 0 HD13 LEU B 36 11.162 -12.219 3.435 1.00 25.00 H new ATOM 0 HD21 LEU B 36 10.448 -15.291 2.997 1.00 25.00 H new ATOM 0 HD22 LEU B 36 9.598 -14.231 4.147 1.00 25.00 H new ATOM 0 HD23 LEU B 36 8.685 -15.076 2.875 1.00 25.00 H new ATOM 421 N CYS B 37 5.582 -11.269 2.966 1.00 25.00 N ATOM 422 CA CYS B 37 4.610 -10.167 2.965 1.00 25.00 C ATOM 423 C CYS B 37 4.547 -9.413 4.276 1.00 25.00 C ATOM 424 O CYS B 37 4.266 -8.211 4.319 1.00 25.00 O ATOM 425 CB CYS B 37 3.218 -10.753 2.696 1.00 25.00 C ATOM 426 SG CYS B 37 2.243 -9.898 1.415 1.00 25.00 S ATOM 0 H CYS B 37 5.655 -11.759 3.857 1.00 25.00 H new ATOM 0 HA CYS B 37 4.929 -9.463 2.197 1.00 25.00 H new ATOM 0 HB2 CYS B 37 3.332 -11.797 2.405 1.00 25.00 H new ATOM 0 HB3 CYS B 37 2.652 -10.742 3.627 1.00 25.00 H new ATOM 431 N GLY B 38 4.675 -10.153 5.388 1.00 25.00 N ATOM 432 CA GLY B 38 4.683 -9.499 6.685 1.00 25.00 C ATOM 433 C GLY B 38 6.050 -8.991 7.106 1.00 25.00 C ATOM 434 O GLY B 38 6.835 -8.555 6.334 1.00 25.00 O ATOM 0 H GLY B 38 4.771 -11.168 5.409 1.00 25.00 H new ATOM 0 HA2 GLY B 38 3.985 -8.662 6.664 1.00 25.00 H new ATOM 0 HA3 GLY B 38 4.318 -10.199 7.437 1.00 25.00 H new ATOM 438 N SER B 39 6.362 -9.171 8.378 1.00 25.00 N ATOM 439 CA SER B 39 7.614 -8.721 8.979 1.00 25.00 C ATOM 440 C SER B 39 8.800 -9.297 8.272 1.00 25.00 C ATOM 441 O SER B 39 9.862 -8.695 8.147 1.00 25.00 O ATOM 442 CB SER B 39 7.681 -9.077 10.479 1.00 25.00 C ATOM 443 OG SER B 39 7.767 -10.493 10.657 1.00 25.00 O ATOM 0 H SER B 39 5.743 -9.642 9.038 1.00 25.00 H new ATOM 0 HA SER B 39 7.639 -7.636 8.876 1.00 25.00 H new ATOM 0 HB2 SER B 39 8.546 -8.595 10.934 1.00 25.00 H new ATOM 0 HB3 SER B 39 6.797 -8.694 10.989 1.00 25.00 H new ATOM 0 HG SER B 39 7.810 -10.700 11.614 1.00 25.00 H new ATOM 449 N HIS B 40 8.586 -10.536 7.719 1.00 25.00 N ATOM 450 CA HIS B 40 9.615 -11.244 6.959 1.00 25.00 C ATOM 451 C HIS B 40 10.080 -10.422 5.749 1.00 25.00 C ATOM 452 O HIS B 40 11.227 -10.519 5.344 1.00 25.00 O ATOM 453 CB HIS B 40 9.057 -12.577 6.508 1.00 25.00 C ATOM 454 CG HIS B 40 9.232 -13.690 7.513 1.00 25.00 C ATOM 455 ND1 HIS B 40 8.937 -15.036 7.227 1.00 25.00 N ATOM 456 CD2 HIS B 40 9.694 -13.708 8.786 1.00 25.00 C ATOM 457 CE1 HIS B 40 9.210 -15.750 8.279 1.00 25.00 C ATOM 458 NE2 HIS B 40 9.651 -14.993 9.239 1.00 25.00 N ATOM 0 H HIS B 40 7.705 -11.044 7.798 1.00 25.00 H new ATOM 0 HA HIS B 40 10.484 -11.401 7.598 1.00 25.00 H new ATOM 0 HB2 HIS B 40 7.995 -12.460 6.293 1.00 25.00 H new ATOM 0 HB3 HIS B 40 9.542 -12.865 5.575 1.00 25.00 H new ATOM 0 HD2 HIS B 40 10.038 -12.851 9.346 1.00 25.00 H new ATOM 0 HE1 HIS B 40 9.088 -16.821 8.346 1.00 25.00 H new ATOM 0 HE2 HIS B 40 9.919 -15.307 10.172 1.00 25.00 H new ATOM 467 N LEU B 41 9.169 -9.670 5.122 1.00 25.00 N ATOM 468 CA LEU B 41 9.501 -8.956 3.874 1.00 25.00 C ATOM 469 C LEU B 41 10.541 -7.871 4.243 1.00 25.00 C ATOM 470 O LEU B 41 11.625 -7.808 3.684 1.00 25.00 O ATOM 471 CB LEU B 41 8.204 -8.312 3.291 1.00 25.00 C ATOM 472 CG LEU B 41 8.385 -7.495 2.002 1.00 25.00 C ATOM 473 CD1 LEU B 41 9.041 -8.360 0.897 1.00 25.00 C ATOM 474 CD2 LEU B 41 7.026 -6.976 1.542 1.00 25.00 C ATOM 0 H LEU B 41 8.211 -9.538 5.447 1.00 25.00 H new ATOM 0 HA LEU B 41 9.909 -9.626 3.118 1.00 25.00 H new ATOM 0 HB2 LEU B 41 7.482 -9.105 3.098 1.00 25.00 H new ATOM 0 HB3 LEU B 41 7.769 -7.664 4.052 1.00 25.00 H new ATOM 0 HG LEU B 41 9.044 -6.650 2.200 1.00 25.00 H new ATOM 0 HD11 LEU B 41 9.161 -7.764 -0.008 1.00 25.00 H new ATOM 0 HD12 LEU B 41 10.018 -8.705 1.237 1.00 25.00 H new ATOM 0 HD13 LEU B 41 8.407 -9.220 0.684 1.00 25.00 H new ATOM 0 HD21 LEU B 41 7.149 -6.396 0.628 1.00 25.00 H new ATOM 0 HD22 LEU B 41 6.361 -7.818 1.351 1.00 25.00 H new ATOM 0 HD23 LEU B 41 6.596 -6.343 2.319 1.00 25.00 H new ATOM 486 N VAL B 42 10.209 -7.037 5.233 1.00 25.00 N ATOM 487 CA VAL B 42 11.138 -5.950 5.664 1.00 25.00 C ATOM 488 C VAL B 42 12.373 -6.497 6.374 1.00 25.00 C ATOM 489 O VAL B 42 13.388 -5.864 6.438 1.00 25.00 O ATOM 490 CB VAL B 42 10.385 -4.907 6.573 1.00 25.00 C ATOM 491 CG1 VAL B 42 9.254 -4.243 5.802 1.00 25.00 C ATOM 492 CG2 VAL B 42 9.847 -5.541 7.854 1.00 25.00 C ATOM 0 H VAL B 42 9.330 -7.078 5.749 1.00 25.00 H new ATOM 0 HA VAL B 42 11.485 -5.443 4.764 1.00 25.00 H new ATOM 0 HB VAL B 42 11.114 -4.150 6.862 1.00 25.00 H new ATOM 0 HG11 VAL B 42 8.746 -3.526 6.447 1.00 25.00 H new ATOM 0 HG12 VAL B 42 9.661 -3.725 4.933 1.00 25.00 H new ATOM 0 HG13 VAL B 42 8.544 -5.001 5.473 1.00 25.00 H new ATOM 0 HG21 VAL B 42 9.336 -4.783 8.448 1.00 25.00 H new ATOM 0 HG22 VAL B 42 9.146 -6.336 7.600 1.00 25.00 H new ATOM 0 HG23 VAL B 42 10.674 -5.956 8.430 1.00 25.00 H new ATOM 502 N GLU B 43 12.308 -7.706 6.901 1.00 25.00 N ATOM 503 CA GLU B 43 13.479 -8.332 7.558 1.00 25.00 C ATOM 504 C GLU B 43 14.460 -8.776 6.488 1.00 25.00 C ATOM 505 O GLU B 43 15.653 -8.621 6.610 1.00 25.00 O ATOM 506 CB GLU B 43 13.023 -9.538 8.363 1.00 25.00 C ATOM 507 CG GLU B 43 14.146 -10.301 9.017 1.00 25.00 C ATOM 508 CD GLU B 43 13.655 -11.186 10.086 1.00 25.00 C ATOM 509 OE1 GLU B 43 14.203 -11.347 11.131 1.00 25.00 O ATOM 510 OE2 GLU B 43 12.562 -11.790 9.833 1.00 25.00 O ATOM 0 H GLU B 43 11.468 -8.285 6.896 1.00 25.00 H new ATOM 0 HA GLU B 43 13.958 -7.616 8.226 1.00 25.00 H new ATOM 0 HB2 GLU B 43 12.327 -9.205 9.133 1.00 25.00 H new ATOM 0 HB3 GLU B 43 12.473 -10.213 7.707 1.00 25.00 H new ATOM 0 HG2 GLU B 43 14.669 -10.893 8.266 1.00 25.00 H new ATOM 0 HG3 GLU B 43 14.870 -9.599 9.430 1.00 25.00 H new ATOM 518 N ALA B 44 13.938 -9.400 5.435 1.00 25.00 N ATOM 519 CA ALA B 44 14.794 -9.899 4.381 1.00 25.00 C ATOM 520 C ALA B 44 15.436 -8.691 3.700 1.00 25.00 C ATOM 521 O ALA B 44 16.584 -8.761 3.344 1.00 25.00 O ATOM 522 CB ALA B 44 13.945 -10.708 3.395 1.00 25.00 C ATOM 0 H ALA B 44 12.941 -9.567 5.296 1.00 25.00 H new ATOM 0 HA ALA B 44 15.575 -10.553 4.769 1.00 25.00 H new ATOM 0 HB1 ALA B 44 14.580 -11.089 2.596 1.00 25.00 H new ATOM 0 HB2 ALA B 44 13.478 -11.543 3.917 1.00 25.00 H new ATOM 0 HB3 ALA B 44 13.172 -10.068 2.970 1.00 25.00 H new ATOM 528 N LEU B 45 14.695 -7.591 3.597 1.00 25.00 N ATOM 529 CA LEU B 45 15.191 -6.352 2.979 1.00 25.00 C ATOM 530 C LEU B 45 16.334 -5.761 3.821 1.00 25.00 C ATOM 531 O LEU B 45 17.360 -5.377 3.272 1.00 25.00 O ATOM 532 CB LEU B 45 14.068 -5.309 2.842 1.00 25.00 C ATOM 533 CG LEU B 45 14.359 -3.998 2.061 1.00 25.00 C ATOM 534 CD1 LEU B 45 14.667 -4.202 0.617 1.00 25.00 C ATOM 535 CD2 LEU B 45 13.169 -3.038 2.191 1.00 25.00 C ATOM 0 H LEU B 45 13.735 -7.527 3.937 1.00 25.00 H new ATOM 0 HA LEU B 45 15.558 -6.601 1.983 1.00 25.00 H new ATOM 0 HB2 LEU B 45 13.220 -5.798 2.363 1.00 25.00 H new ATOM 0 HB3 LEU B 45 13.750 -5.031 3.847 1.00 25.00 H new ATOM 0 HG LEU B 45 15.257 -3.576 2.514 1.00 25.00 H new ATOM 0 HD11 LEU B 45 14.858 -3.238 0.146 1.00 25.00 H new ATOM 0 HD12 LEU B 45 15.549 -4.835 0.519 1.00 25.00 H new ATOM 0 HD13 LEU B 45 13.820 -4.683 0.129 1.00 25.00 H new ATOM 0 HD21 LEU B 45 13.380 -2.121 1.641 1.00 25.00 H new ATOM 0 HD22 LEU B 45 12.275 -3.509 1.782 1.00 25.00 H new ATOM 0 HD23 LEU B 45 13.006 -2.801 3.242 1.00 25.00 H new ATOM 547 N TYR B 46 16.188 -5.728 5.135 1.00 25.00 N ATOM 548 CA TYR B 46 17.311 -5.323 5.979 1.00 25.00 C ATOM 549 C TYR B 46 18.549 -6.159 5.729 1.00 25.00 C ATOM 550 O TYR B 46 19.653 -5.602 5.578 1.00 25.00 O ATOM 551 CB TYR B 46 16.930 -5.493 7.455 1.00 25.00 C ATOM 552 CG TYR B 46 18.100 -5.348 8.408 1.00 25.00 C ATOM 553 CD1 TYR B 46 18.643 -4.080 8.695 1.00 25.00 C ATOM 554 CD2 TYR B 46 18.593 -6.469 9.093 1.00 25.00 C ATOM 555 CE1 TYR B 46 19.691 -3.916 9.616 1.00 25.00 C ATOM 556 CE2 TYR B 46 19.652 -6.312 10.024 1.00 25.00 C ATOM 557 CZ TYR B 46 20.191 -5.048 10.286 1.00 25.00 C ATOM 558 OH TYR B 46 21.191 -4.904 11.235 1.00 25.00 O ATOM 0 H TYR B 46 15.331 -5.968 5.634 1.00 25.00 H new ATOM 0 HA TYR B 46 17.531 -4.284 5.736 1.00 25.00 H new ATOM 0 HB2 TYR B 46 16.170 -4.755 7.712 1.00 25.00 H new ATOM 0 HB3 TYR B 46 16.480 -6.476 7.594 1.00 25.00 H new ATOM 0 HD1 TYR B 46 18.243 -3.211 8.194 1.00 25.00 H new ATOM 0 HD2 TYR B 46 18.169 -7.446 8.913 1.00 25.00 H new ATOM 0 HE1 TYR B 46 20.106 -2.937 9.807 1.00 25.00 H new ATOM 0 HE2 TYR B 46 20.046 -7.177 10.536 1.00 25.00 H new ATOM 0 HH TYR B 46 21.421 -5.782 11.603 1.00 25.00 H new ATOM 568 N LEU B 47 18.369 -7.466 5.657 1.00 25.00 N ATOM 569 CA LEU B 47 19.509 -8.345 5.480 1.00 25.00 C ATOM 570 C LEU B 47 20.222 -8.174 4.159 1.00 25.00 C ATOM 571 O LEU B 47 21.431 -8.185 4.094 1.00 25.00 O ATOM 572 CB LEU B 47 19.091 -9.817 5.637 1.00 25.00 C ATOM 573 CG LEU B 47 18.628 -10.245 7.049 1.00 25.00 C ATOM 574 CD1 LEU B 47 17.703 -11.514 6.946 1.00 25.00 C ATOM 575 CD2 LEU B 47 19.799 -10.562 7.971 1.00 25.00 C ATOM 0 H LEU B 47 17.465 -7.934 5.717 1.00 25.00 H new ATOM 0 HA LEU B 47 20.213 -8.059 6.262 1.00 25.00 H new ATOM 0 HB2 LEU B 47 18.283 -10.021 4.934 1.00 25.00 H new ATOM 0 HB3 LEU B 47 19.933 -10.446 5.347 1.00 25.00 H new ATOM 0 HG LEU B 47 18.081 -9.404 7.475 1.00 25.00 H new ATOM 0 HD11 LEU B 47 17.380 -11.811 7.944 1.00 25.00 H new ATOM 0 HD12 LEU B 47 16.830 -11.279 6.337 1.00 25.00 H new ATOM 0 HD13 LEU B 47 18.257 -12.332 6.486 1.00 25.00 H new ATOM 0 HD21 LEU B 47 19.422 -10.857 8.950 1.00 25.00 H new ATOM 0 HD22 LEU B 47 20.385 -11.377 7.547 1.00 25.00 H new ATOM 0 HD23 LEU B 47 20.429 -9.679 8.076 1.00 25.00 H new ATOM 587 N VAL B 48 19.460 -7.987 3.078 1.00 25.00 N ATOM 588 CA VAL B 48 20.083 -7.865 1.766 1.00 25.00 C ATOM 589 C VAL B 48 20.649 -6.460 1.503 1.00 25.00 C ATOM 590 O VAL B 48 21.631 -6.314 0.737 1.00 25.00 O ATOM 591 CB VAL B 48 19.097 -8.316 0.594 1.00 25.00 C ATOM 592 CG1 VAL B 48 17.875 -7.355 0.465 1.00 25.00 C ATOM 593 CG2 VAL B 48 19.832 -8.453 -0.749 1.00 25.00 C ATOM 0 H VAL B 48 18.442 -7.919 3.086 1.00 25.00 H new ATOM 0 HA VAL B 48 20.930 -8.551 1.772 1.00 25.00 H new ATOM 0 HB VAL B 48 18.717 -9.301 0.865 1.00 25.00 H new ATOM 0 HG11 VAL B 48 17.228 -7.696 -0.343 1.00 25.00 H new ATOM 0 HG12 VAL B 48 17.315 -7.350 1.400 1.00 25.00 H new ATOM 0 HG13 VAL B 48 18.227 -6.346 0.248 1.00 25.00 H new ATOM 0 HG21 VAL B 48 19.126 -8.761 -1.520 1.00 25.00 H new ATOM 0 HG22 VAL B 48 20.272 -7.494 -1.022 1.00 25.00 H new ATOM 0 HG23 VAL B 48 20.620 -9.201 -0.658 1.00 25.00 H new ATOM 603 N CYS B 49 20.106 -5.469 2.173 1.00 25.00 N ATOM 604 CA CYS B 49 20.674 -4.121 2.107 1.00 25.00 C ATOM 605 C CYS B 49 21.891 -3.999 2.972 1.00 25.00 C ATOM 606 O CYS B 49 22.880 -3.337 2.571 1.00 25.00 O ATOM 607 CB CYS B 49 19.606 -3.112 2.548 1.00 25.00 C ATOM 608 SG CYS B 49 18.075 -3.051 1.522 1.00 25.00 S ATOM 0 H CYS B 49 19.281 -5.558 2.766 1.00 25.00 H new ATOM 0 HA CYS B 49 20.980 -3.916 1.081 1.00 25.00 H new ATOM 0 HB2 CYS B 49 19.322 -3.340 3.575 1.00 25.00 H new ATOM 0 HB3 CYS B 49 20.054 -2.119 2.555 1.00 25.00 H new ATOM 613 N GLY B 50 21.864 -4.641 4.137 1.00 25.00 N ATOM 614 CA GLY B 50 23.017 -4.592 5.033 1.00 25.00 C ATOM 615 C GLY B 50 22.708 -4.000 6.382 1.00 25.00 C ATOM 616 O GLY B 50 22.364 -4.708 7.306 1.00 25.00 O ATOM 0 H GLY B 50 21.075 -5.190 4.478 1.00 25.00 H new ATOM 0 HA2 GLY B 50 23.404 -5.602 5.169 1.00 25.00 H new ATOM 0 HA3 GLY B 50 23.808 -4.008 4.562 1.00 25.00 H new ATOM 620 N GLU B 51 22.832 -2.694 6.492 1.00 25.00 N ATOM 621 CA GLU B 51 22.662 -2.023 7.780 1.00 25.00 C ATOM 622 C GLU B 51 22.376 -0.557 7.534 1.00 25.00 C ATOM 623 O GLU B 51 23.049 0.095 6.774 1.00 25.00 O ATOM 624 CB GLU B 51 23.953 -2.203 8.580 1.00 25.00 C ATOM 625 CG GLU B 51 23.736 -2.502 10.012 1.00 25.00 C ATOM 626 CD GLU B 51 25.019 -2.408 10.823 1.00 25.00 C ATOM 627 OE1 GLU B 51 25.639 -1.407 10.972 1.00 25.00 O ATOM 628 OE2 GLU B 51 25.354 -3.531 11.362 1.00 25.00 O ATOM 0 H GLU B 51 23.049 -2.071 5.714 1.00 25.00 H new ATOM 0 HA GLU B 51 21.829 -2.446 8.342 1.00 25.00 H new ATOM 0 HB2 GLU B 51 24.535 -3.010 8.135 1.00 25.00 H new ATOM 0 HB3 GLU B 51 24.550 -1.295 8.495 1.00 25.00 H new ATOM 0 HG2 GLU B 51 23.001 -1.808 10.418 1.00 25.00 H new ATOM 0 HG3 GLU B 51 23.318 -3.504 10.112 1.00 25.00 H new ATOM 636 N GLN B 52 21.297 -0.045 8.133 1.00 25.00 N ATOM 637 CA GLN B 52 20.858 1.359 7.938 1.00 25.00 C ATOM 638 C GLN B 52 20.185 1.854 9.243 1.00 25.00 C ATOM 639 O GLN B 52 20.845 1.969 10.261 1.00 25.00 O ATOM 640 CB GLN B 52 19.862 1.469 6.758 1.00 25.00 C ATOM 641 CG GLN B 52 20.365 0.984 5.366 1.00 25.00 C ATOM 642 CD GLN B 52 19.415 1.429 4.272 1.00 25.00 C ATOM 643 OE1 GLN B 52 19.206 2.627 4.072 1.00 25.00 O ATOM 644 NE2 GLN B 52 18.794 0.494 3.583 1.00 25.00 N ATOM 0 H GLN B 52 20.700 -0.579 8.764 1.00 25.00 H new ATOM 0 HA GLN B 52 21.726 1.976 7.703 1.00 25.00 H new ATOM 0 HB2 GLN B 52 18.969 0.899 7.014 1.00 25.00 H new ATOM 0 HB3 GLN B 52 19.559 2.512 6.665 1.00 25.00 H new ATOM 0 HG2 GLN B 52 21.361 1.382 5.174 1.00 25.00 H new ATOM 0 HG3 GLN B 52 20.450 -0.103 5.362 1.00 25.00 H new ATOM 0 HE21 GLN B 52 18.987 -0.490 3.770 1.00 25.00 H new ATOM 0 HE22 GLN B 52 18.120 0.754 2.862 1.00 25.00 H new ATOM 653 N GLY B 53 18.868 2.118 9.208 1.00 25.00 N ATOM 654 CA GLY B 53 18.163 2.549 10.412 1.00 25.00 C ATOM 655 C GLY B 53 16.722 2.209 10.237 1.00 25.00 C ATOM 656 O GLY B 53 15.895 3.087 10.330 1.00 25.00 O ATOM 0 H GLY B 53 18.286 2.041 8.374 1.00 25.00 H new ATOM 0 HA2 GLY B 53 18.570 2.051 11.292 1.00 25.00 H new ATOM 0 HA3 GLY B 53 18.288 3.621 10.566 1.00 25.00 H new ATOM 660 N PHE B 54 16.440 0.953 9.921 1.00 25.00 N ATOM 661 CA PHE B 54 15.075 0.576 9.578 1.00 25.00 C ATOM 662 C PHE B 54 14.098 0.791 10.716 1.00 25.00 C ATOM 663 O PHE B 54 13.053 1.417 10.526 1.00 25.00 O ATOM 664 CB PHE B 54 14.991 -0.892 9.172 1.00 25.00 C ATOM 665 CG PHE B 54 15.583 -1.201 7.819 1.00 25.00 C ATOM 666 CD1 PHE B 54 16.965 -1.147 7.585 1.00 25.00 C ATOM 667 CD2 PHE B 54 14.725 -1.601 6.763 1.00 25.00 C ATOM 668 CE1 PHE B 54 17.507 -1.459 6.327 1.00 25.00 C ATOM 669 CE2 PHE B 54 15.259 -1.953 5.495 1.00 25.00 C ATOM 670 CZ PHE B 54 16.662 -1.874 5.258 1.00 25.00 C ATOM 0 H PHE B 54 17.120 0.193 9.895 1.00 25.00 H new ATOM 0 HA PHE B 54 14.801 1.225 8.746 1.00 25.00 H new ATOM 0 HB2 PHE B 54 15.501 -1.494 9.924 1.00 25.00 H new ATOM 0 HB3 PHE B 54 13.945 -1.198 9.175 1.00 25.00 H new ATOM 0 HD1 PHE B 54 17.626 -0.859 8.389 1.00 25.00 H new ATOM 0 HD2 PHE B 54 13.658 -1.638 6.924 1.00 25.00 H new ATOM 0 HE1 PHE B 54 18.573 -1.384 6.169 1.00 25.00 H new ATOM 0 HE2 PHE B 54 14.599 -2.282 4.706 1.00 25.00 H new ATOM 0 HZ PHE B 54 17.075 -2.123 4.291 1.00 25.00 H new ATOM 680 N PHE B 55 14.421 0.221 11.856 1.00 25.00 N ATOM 681 CA PHE B 55 13.548 0.295 13.026 1.00 25.00 C ATOM 682 C PHE B 55 14.390 0.360 14.272 1.00 25.00 C ATOM 683 O PHE B 55 15.313 -0.424 14.441 1.00 25.00 O ATOM 684 CB PHE B 55 12.625 -0.911 13.048 1.00 25.00 C ATOM 685 CG PHE B 55 11.144 -0.546 13.065 1.00 25.00 C ATOM 686 CD1 PHE B 55 10.475 -0.241 11.853 1.00 25.00 C ATOM 687 CD2 PHE B 55 10.414 -0.494 14.288 1.00 25.00 C ATOM 688 CE1 PHE B 55 9.081 0.124 11.850 1.00 25.00 C ATOM 689 CE2 PHE B 55 9.067 -0.149 14.268 1.00 25.00 C ATOM 690 CZ PHE B 55 8.406 0.156 13.060 1.00 25.00 C ATOM 0 H PHE B 55 15.283 -0.303 12.006 1.00 25.00 H new ATOM 0 HA PHE B 55 12.933 1.193 12.979 1.00 25.00 H new ATOM 0 HB2 PHE B 55 12.828 -1.530 12.174 1.00 25.00 H new ATOM 0 HB3 PHE B 55 12.852 -1.516 13.926 1.00 25.00 H new ATOM 0 HD1 PHE B 55 11.017 -0.283 10.920 1.00 25.00 H new ATOM 0 HD2 PHE B 55 10.903 -0.721 15.224 1.00 25.00 H new ATOM 0 HE1 PHE B 55 8.575 0.367 10.927 1.00 25.00 H new ATOM 0 HE2 PHE B 55 8.516 -0.114 15.196 1.00 25.00 H new ATOM 0 HZ PHE B 55 7.359 0.418 13.078 1.00 25.00 H new ATOM 700 N TYR B 56 14.073 1.285 15.170 1.00 25.00 N ATOM 701 CA TYR B 56 14.828 1.437 16.437 1.00 25.00 C ATOM 702 C TYR B 56 14.248 0.449 17.437 1.00 25.00 C ATOM 703 O TYR B 56 13.167 0.675 17.996 1.00 25.00 O ATOM 704 CB TYR B 56 14.698 2.844 16.981 1.00 25.00 C ATOM 705 CG TYR B 56 15.467 3.007 18.272 1.00 25.00 C ATOM 706 CD1 TYR B 56 16.840 2.687 18.331 1.00 25.00 C ATOM 707 CD2 TYR B 56 14.833 3.477 19.451 1.00 25.00 C ATOM 708 CE1 TYR B 56 17.598 2.792 19.532 1.00 25.00 C ATOM 709 CE2 TYR B 56 15.605 3.633 20.679 1.00 25.00 C ATOM 710 CZ TYR B 56 16.990 3.269 20.664 1.00 25.00 C ATOM 711 OH TYR B 56 17.685 3.383 21.817 1.00 25.00 O ATOM 0 H TYR B 56 13.304 1.945 15.058 1.00 25.00 H new ATOM 0 HA TYR B 56 15.886 1.245 16.261 1.00 25.00 H new ATOM 0 HB2 TYR B 56 15.066 3.557 16.243 1.00 25.00 H new ATOM 0 HB3 TYR B 56 13.646 3.075 17.150 1.00 25.00 H new ATOM 0 HD1 TYR B 56 17.334 2.350 17.432 1.00 25.00 H new ATOM 0 HD2 TYR B 56 13.781 3.719 19.439 1.00 25.00 H new ATOM 0 HE1 TYR B 56 18.638 2.500 19.551 1.00 25.00 H new ATOM 0 HE2 TYR B 56 15.143 4.014 21.578 1.00 25.00 H new ATOM 0 HH TYR B 56 17.100 3.739 22.518 1.00 25.00 H new ATOM 721 N THR B 57 14.964 -0.644 17.645 1.00 25.00 N ATOM 722 CA THR B 57 14.529 -1.706 18.561 1.00 25.00 C ATOM 723 C THR B 57 15.690 -2.096 19.523 1.00 25.00 C ATOM 724 O THR B 57 16.458 -3.021 19.238 1.00 25.00 O ATOM 725 CB THR B 57 14.078 -2.961 17.778 1.00 25.00 C ATOM 726 OG1 THR B 57 13.223 -2.564 16.722 1.00 25.00 O ATOM 727 CG2 THR B 57 13.260 -3.924 18.674 1.00 25.00 C ATOM 0 H THR B 57 15.859 -0.827 17.191 1.00 25.00 H new ATOM 0 HA THR B 57 13.686 -1.325 19.137 1.00 25.00 H new ATOM 0 HB THR B 57 14.975 -3.463 17.416 1.00 25.00 H new ATOM 0 HG1 THR B 57 12.934 -3.355 16.220 1.00 25.00 H new ATOM 0 HG21 THR B 57 12.959 -4.795 18.092 1.00 25.00 H new ATOM 0 HG22 THR B 57 13.872 -4.245 19.517 1.00 25.00 H new ATOM 0 HG23 THR B 57 12.373 -3.411 19.044 1.00 25.00 H new ATOM 735 N PRO B 58 15.887 -1.349 20.613 1.00 25.00 N ATOM 736 CA PRO B 58 16.985 -1.642 21.518 1.00 25.00 C ATOM 737 C PRO B 58 16.753 -2.881 22.401 1.00 25.00 C ATOM 738 O PRO B 58 16.084 -2.811 23.444 1.00 25.00 O ATOM 739 CB PRO B 58 17.076 -0.404 22.401 1.00 25.00 C ATOM 740 CG PRO B 58 15.653 0.099 22.482 1.00 25.00 C ATOM 741 CD PRO B 58 15.139 -0.148 21.077 1.00 25.00 C ATOM 0 HA PRO B 58 17.889 -1.865 20.952 1.00 25.00 H new ATOM 0 HB2 PRO B 58 17.469 -0.647 23.388 1.00 25.00 H new ATOM 0 HB3 PRO B 58 17.739 0.345 21.969 1.00 25.00 H new ATOM 0 HG2 PRO B 58 15.072 -0.444 23.228 1.00 25.00 H new ATOM 0 HG3 PRO B 58 15.610 1.155 22.750 1.00 25.00 H new ATOM 0 HD2 PRO B 58 14.063 -0.324 21.073 1.00 25.00 H new ATOM 0 HD3 PRO B 58 15.324 0.709 20.430 1.00 25.00 H new ATOM 749 N LYS B 59 17.285 -4.006 21.955 1.00 25.00 N ATOM 750 CA LYS B 59 17.155 -5.265 22.698 1.00 25.00 C ATOM 751 C LYS B 59 18.463 -6.034 22.601 1.00 25.00 C ATOM 752 O LYS B 59 18.962 -6.329 21.527 1.00 25.00 O ATOM 753 CB LYS B 59 16.071 -6.143 22.086 1.00 25.00 C ATOM 754 CG LYS B 59 14.681 -5.682 22.408 1.00 25.00 C ATOM 755 CD LYS B 59 13.609 -6.660 21.937 1.00 25.00 C ATOM 756 CE LYS B 59 13.550 -7.970 22.749 1.00 25.00 C ATOM 757 NZ LYS B 59 12.481 -8.895 22.318 1.00 25.00 N ATOM 0 H LYS B 59 17.812 -4.082 21.085 1.00 25.00 H new ATOM 0 HA LYS B 59 16.903 -5.026 23.731 1.00 25.00 H new ATOM 0 HB2 LYS B 59 16.198 -6.163 21.004 1.00 25.00 H new ATOM 0 HB3 LYS B 59 16.198 -7.166 22.441 1.00 25.00 H new ATOM 0 HG2 LYS B 59 14.590 -5.542 23.485 1.00 25.00 H new ATOM 0 HG3 LYS B 59 14.509 -4.711 21.944 1.00 25.00 H new ATOM 0 HD2 LYS B 59 12.637 -6.169 21.989 1.00 25.00 H new ATOM 0 HD3 LYS B 59 13.789 -6.902 20.890 1.00 25.00 H new ATOM 0 HE2 LYS B 59 14.511 -8.479 22.669 1.00 25.00 H new ATOM 0 HE3 LYS B 59 13.404 -7.727 23.802 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 12.504 -9.751 22.908 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 11.557 -8.429 22.419 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 12.629 -9.157 21.323 1.00 25.00 H new ATOM 771 N THR B 60 19.062 -6.379 23.750 1.00 25.00 N ATOM 772 CA THR B 60 20.268 -7.176 23.744 1.00 25.00 C ATOM 773 C THR B 60 20.107 -8.510 23.040 1.00 25.00 C ATOM 774 O THR B 60 19.149 -9.235 23.166 1.00 25.00 O ATOM 775 CB THR B 60 20.735 -7.404 25.164 1.00 25.00 C ATOM 776 OG1 THR B 60 19.602 -7.342 26.012 1.00 25.00 O ATOM 777 CG2 THR B 60 21.684 -6.234 25.579 1.00 25.00 C ATOM 778 OXT THR B 60 21.046 -8.768 22.228 1.00 25.00 O ATOM 0 H THR B 60 18.726 -6.116 24.677 1.00 25.00 H new ATOM 0 HA THR B 60 21.011 -6.612 23.180 1.00 25.00 H new ATOM 0 HB THR B 60 21.245 -8.364 25.240 1.00 25.00 H new ATOM 0 HG1 THR B 60 19.880 -7.489 26.940 1.00 25.00 H new ATOM 0 HG21 THR B 60 22.027 -6.389 26.602 1.00 25.00 H new ATOM 0 HG22 THR B 60 22.543 -6.207 24.909 1.00 25.00 H new ATOM 0 HG23 THR B 60 21.145 -5.289 25.516 1.00 25.00 H new TER 787 THR B 60