USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=11 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 5 GLN : amide:sc= 0.361 K(o=0.75,f=-2.6!) USER MOD Set 1.2: A 19 TYR OH : rot 10:sc= 0.393 USER MOD Single : A 1 GLY N :NH3+ -178:sc= -0.184 (180deg=-0.191) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -61:sc= 0.252 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 15 GLN : amide:sc= -0.036 K(o=-0.036,f=-1.6!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 21 ASN : amide:sc=-0.00808 X(o=-0.0081,f=-0.092) USER MOD Single : B 33 ASN : amide:sc= 0.136 K(o=0.14,f=-2.6!) USER MOD Single : B 34 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : B 35 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.052) USER MOD Single : B 39 SER OG : rot 180:sc= 0.151 USER MOD Single : B 40 HIS : no HD1:sc= -0.0653 X(o=-0.065,f=-0.0034) USER MOD Single : B 46 TYR OH : rot 30:sc= -0.0296 USER MOD Single : B 52 GLN : amide:sc= -0.0356 K(o=-0.036,f=-1.1) USER MOD Single : B 56 TYR OH : rot 180:sc= 0 USER MOD Single : B 57 THR OG1 : rot -97:sc= 0.191 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 THR OG1 : rot 42:sc= 0.0898 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.976 1.314 1.793 1.00 25.00 N ATOM 2 CA GLY A 1 2.521 0.790 0.491 1.00 25.00 C ATOM 3 C GLY A 1 3.428 -0.256 -0.157 1.00 25.00 C ATOM 4 O GLY A 1 3.166 -0.921 -1.109 1.00 25.00 O ATOM 0 H1 GLY A 1 2.275 1.989 2.160 1.00 25.00 H new ATOM 0 H2 GLY A 1 3.084 0.528 2.465 1.00 25.00 H new ATOM 0 H3 GLY A 1 3.890 1.795 1.673 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.531 0.354 0.622 1.00 25.00 H new ATOM 0 HA3 GLY A 1 2.412 1.627 -0.199 1.00 25.00 H new ATOM 9 N ILE A 2 4.616 -0.352 0.416 1.00 25.00 N ATOM 10 CA ILE A 2 5.738 -1.164 -0.060 1.00 25.00 C ATOM 11 C ILE A 2 5.411 -2.600 -0.078 1.00 25.00 C ATOM 12 O ILE A 2 5.691 -3.312 -1.063 1.00 25.00 O ATOM 13 CB ILE A 2 7.042 -0.861 0.781 1.00 25.00 C ATOM 14 CG1 ILE A 2 8.096 -1.981 0.693 1.00 25.00 C ATOM 15 CG2 ILE A 2 6.718 -0.693 2.308 1.00 25.00 C ATOM 16 CD1 ILE A 2 9.452 -1.668 1.402 1.00 25.00 C ATOM 0 H ILE A 2 4.842 0.158 1.270 1.00 25.00 H new ATOM 0 HA ILE A 2 5.938 -0.884 -1.094 1.00 25.00 H new ATOM 0 HB ILE A 2 7.435 0.058 0.347 1.00 25.00 H new ATOM 0 HG12 ILE A 2 7.677 -2.889 1.127 1.00 25.00 H new ATOM 0 HG13 ILE A 2 8.293 -2.192 -0.358 1.00 25.00 H new ATOM 0 HG21 ILE A 2 7.638 -0.486 2.855 1.00 25.00 H new ATOM 0 HG22 ILE A 2 6.021 0.134 2.443 1.00 25.00 H new ATOM 0 HG23 ILE A 2 6.269 -1.611 2.688 1.00 25.00 H new ATOM 0 HD11 ILE A 2 10.128 -2.515 1.285 1.00 25.00 H new ATOM 0 HD12 ILE A 2 9.901 -0.781 0.954 1.00 25.00 H new ATOM 0 HD13 ILE A 2 9.275 -1.489 2.463 1.00 25.00 H new ATOM 28 N VAL A 3 4.622 -2.994 0.904 1.00 25.00 N ATOM 29 CA VAL A 3 4.148 -4.390 0.928 1.00 25.00 C ATOM 30 C VAL A 3 3.223 -4.653 -0.265 1.00 25.00 C ATOM 31 O VAL A 3 3.303 -5.680 -0.878 1.00 25.00 O ATOM 32 CB VAL A 3 3.393 -4.715 2.235 1.00 25.00 C ATOM 33 CG1 VAL A 3 3.106 -6.230 2.329 1.00 25.00 C ATOM 34 CG2 VAL A 3 4.190 -4.291 3.492 1.00 25.00 C ATOM 0 H VAL A 3 4.299 -2.405 1.672 1.00 25.00 H new ATOM 0 HA VAL A 3 5.026 -5.033 0.869 1.00 25.00 H new ATOM 0 HB VAL A 3 2.461 -4.150 2.205 1.00 25.00 H new ATOM 0 HG11 VAL A 3 2.573 -6.443 3.256 1.00 25.00 H new ATOM 0 HG12 VAL A 3 2.495 -6.538 1.481 1.00 25.00 H new ATOM 0 HG13 VAL A 3 4.047 -6.780 2.317 1.00 25.00 H new ATOM 0 HG21 VAL A 3 3.619 -4.540 4.386 1.00 25.00 H new ATOM 0 HG22 VAL A 3 5.144 -4.818 3.513 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.370 -3.216 3.464 1.00 25.00 H new ATOM 44 N GLU A 4 2.408 -3.683 -0.631 1.00 25.00 N ATOM 45 CA GLU A 4 1.468 -3.889 -1.695 1.00 25.00 C ATOM 46 C GLU A 4 2.219 -3.906 -3.026 1.00 25.00 C ATOM 47 O GLU A 4 1.862 -4.623 -3.956 1.00 25.00 O ATOM 48 CB GLU A 4 0.375 -2.829 -1.674 1.00 25.00 C ATOM 49 CG GLU A 4 -0.362 -2.749 -0.364 1.00 25.00 C ATOM 50 CD GLU A 4 -1.625 -1.915 -0.442 1.00 25.00 C ATOM 51 OE1 GLU A 4 -2.670 -2.163 0.130 1.00 25.00 O ATOM 52 OE2 GLU A 4 -1.547 -0.894 -1.203 1.00 25.00 O ATOM 0 H GLU A 4 2.383 -2.756 -0.207 1.00 25.00 H new ATOM 0 HA GLU A 4 0.971 -4.850 -1.561 1.00 25.00 H new ATOM 0 HB2 GLU A 4 0.819 -1.857 -1.892 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.339 -3.039 -2.471 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -0.619 -3.756 -0.036 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.299 -2.326 0.393 1.00 25.00 H new ATOM 60 N GLN A 5 3.302 -3.133 -3.099 1.00 25.00 N ATOM 61 CA GLN A 5 4.077 -3.031 -4.332 1.00 25.00 C ATOM 62 C GLN A 5 4.895 -4.330 -4.544 1.00 25.00 C ATOM 63 O GLN A 5 5.101 -4.744 -5.686 1.00 25.00 O ATOM 64 CB GLN A 5 5.089 -1.853 -4.263 1.00 25.00 C ATOM 65 CG GLN A 5 4.433 -0.477 -4.230 1.00 25.00 C ATOM 66 CD GLN A 5 5.441 0.608 -4.103 1.00 25.00 C ATOM 67 OE1 GLN A 5 6.169 0.668 -3.152 1.00 25.00 O ATOM 68 NE2 GLN A 5 5.582 1.402 -5.144 1.00 25.00 N ATOM 0 H GLN A 5 3.659 -2.573 -2.325 1.00 25.00 H new ATOM 0 HA GLN A 5 3.374 -2.868 -5.148 1.00 25.00 H new ATOM 0 HB2 GLN A 5 5.709 -1.971 -3.374 1.00 25.00 H new ATOM 0 HB3 GLN A 5 5.754 -1.907 -5.125 1.00 25.00 H new ATOM 0 HG2 GLN A 5 3.851 -0.329 -5.140 1.00 25.00 H new ATOM 0 HG3 GLN A 5 3.736 -0.426 -3.394 1.00 25.00 H new ATOM 0 HE21 GLN A 5 4.944 1.323 -5.936 1.00 25.00 H new ATOM 0 HE22 GLN A 5 6.329 2.096 -5.158 1.00 25.00 H new ATOM 77 N CYS A 6 5.448 -4.921 -3.480 1.00 25.00 N ATOM 78 CA CYS A 6 6.303 -6.127 -3.635 1.00 25.00 C ATOM 79 C CYS A 6 5.544 -7.456 -3.424 1.00 25.00 C ATOM 80 O CYS A 6 5.784 -8.441 -4.109 1.00 25.00 O ATOM 81 CB CYS A 6 7.438 -6.048 -2.613 1.00 25.00 C ATOM 82 SG CYS A 6 9.110 -6.041 -3.344 1.00 25.00 S ATOM 0 H CYS A 6 5.330 -4.602 -2.518 1.00 25.00 H new ATOM 0 HA CYS A 6 6.669 -6.130 -4.662 1.00 25.00 H new ATOM 0 HB2 CYS A 6 7.311 -5.144 -2.017 1.00 25.00 H new ATOM 0 HB3 CYS A 6 7.356 -6.894 -1.931 1.00 25.00 H new ATOM 87 N CYS A 7 4.657 -7.524 -2.463 1.00 25.00 N ATOM 88 CA CYS A 7 3.918 -8.732 -2.143 1.00 25.00 C ATOM 89 C CYS A 7 2.685 -8.838 -3.042 1.00 25.00 C ATOM 90 O CYS A 7 1.562 -8.517 -2.672 1.00 25.00 O ATOM 91 CB CYS A 7 3.561 -8.792 -0.660 1.00 25.00 C ATOM 92 SG CYS A 7 2.768 -10.385 -0.222 1.00 25.00 S ATOM 0 H CYS A 7 4.420 -6.731 -1.867 1.00 25.00 H new ATOM 0 HA CYS A 7 4.552 -9.597 -2.338 1.00 25.00 H new ATOM 0 HB2 CYS A 7 4.462 -8.657 -0.062 1.00 25.00 H new ATOM 0 HB3 CYS A 7 2.889 -7.970 -0.413 1.00 25.00 H new ATOM 97 N THR A 8 2.933 -9.230 -4.270 1.00 25.00 N ATOM 98 CA THR A 8 1.879 -9.404 -5.295 1.00 25.00 C ATOM 99 C THR A 8 2.271 -10.430 -6.353 1.00 25.00 C ATOM 100 O THR A 8 1.446 -11.245 -6.738 1.00 25.00 O ATOM 101 CB THR A 8 1.544 -8.095 -6.051 1.00 25.00 C ATOM 102 OG1 THR A 8 1.462 -8.348 -7.441 1.00 25.00 O ATOM 103 CG2 THR A 8 2.680 -7.070 -5.918 1.00 25.00 C ATOM 0 H THR A 8 3.871 -9.444 -4.608 1.00 25.00 H new ATOM 0 HA THR A 8 1.010 -9.739 -4.729 1.00 25.00 H new ATOM 0 HB THR A 8 0.611 -7.724 -5.628 1.00 25.00 H new ATOM 0 HG1 THR A 8 1.248 -7.516 -7.913 1.00 25.00 H new ATOM 0 HG21 THR A 8 2.416 -6.162 -6.459 1.00 25.00 H new ATOM 0 HG22 THR A 8 2.835 -6.833 -4.865 1.00 25.00 H new ATOM 0 HG23 THR A 8 3.597 -7.487 -6.335 1.00 25.00 H new ATOM 111 N SER A 9 3.533 -10.422 -6.797 1.00 25.00 N ATOM 112 CA SER A 9 3.945 -11.340 -7.832 1.00 25.00 C ATOM 113 C SER A 9 5.386 -11.777 -7.671 1.00 25.00 C ATOM 114 O SER A 9 6.121 -11.949 -8.621 1.00 25.00 O ATOM 115 CB SER A 9 3.758 -10.731 -9.233 1.00 25.00 C ATOM 116 OG SER A 9 3.805 -11.771 -10.190 1.00 25.00 O ATOM 0 H SER A 9 4.264 -9.798 -6.456 1.00 25.00 H new ATOM 0 HA SER A 9 3.304 -12.215 -7.730 1.00 25.00 H new ATOM 0 HB2 SER A 9 2.805 -10.206 -9.292 1.00 25.00 H new ATOM 0 HB3 SER A 9 4.539 -9.998 -9.433 1.00 25.00 H new ATOM 0 HG SER A 9 4.681 -12.209 -10.155 1.00 25.00 H new ATOM 122 N ILE A 10 5.772 -11.943 -6.405 1.00 25.00 N ATOM 123 CA ILE A 10 7.150 -12.344 -6.008 1.00 25.00 C ATOM 124 C ILE A 10 8.170 -11.356 -6.575 1.00 25.00 C ATOM 125 O ILE A 10 8.779 -11.623 -7.591 1.00 25.00 O ATOM 126 CB ILE A 10 7.503 -13.815 -6.482 1.00 25.00 C ATOM 127 CG1 ILE A 10 6.384 -14.797 -6.131 1.00 25.00 C ATOM 128 CG2 ILE A 10 8.844 -14.310 -5.794 1.00 25.00 C ATOM 129 CD1 ILE A 10 6.661 -16.274 -6.567 1.00 25.00 C ATOM 0 H ILE A 10 5.145 -11.806 -5.612 1.00 25.00 H new ATOM 0 HA ILE A 10 7.191 -12.330 -4.919 1.00 25.00 H new ATOM 0 HB ILE A 10 7.626 -13.786 -7.565 1.00 25.00 H new ATOM 0 HG12 ILE A 10 6.221 -14.773 -5.054 1.00 25.00 H new ATOM 0 HG13 ILE A 10 5.460 -14.459 -6.601 1.00 25.00 H new ATOM 0 HG21 ILE A 10 9.073 -15.322 -6.129 1.00 25.00 H new ATOM 0 HG22 ILE A 10 9.661 -13.643 -6.068 1.00 25.00 H new ATOM 0 HG23 ILE A 10 8.720 -14.306 -4.711 1.00 25.00 H new ATOM 0 HD11 ILE A 10 5.818 -16.902 -6.280 1.00 25.00 H new ATOM 0 HD12 ILE A 10 6.793 -16.316 -7.648 1.00 25.00 H new ATOM 0 HD13 ILE A 10 7.566 -16.634 -6.077 1.00 25.00 H new ATOM 141 N CYS A 11 8.291 -10.175 -5.973 1.00 25.00 N ATOM 142 CA CYS A 11 9.183 -9.183 -6.524 1.00 25.00 C ATOM 143 C CYS A 11 10.666 -9.652 -6.537 1.00 25.00 C ATOM 144 O CYS A 11 11.049 -10.503 -5.725 1.00 25.00 O ATOM 145 CB CYS A 11 9.037 -7.883 -5.732 1.00 25.00 C ATOM 146 SG CYS A 11 9.525 -7.919 -3.961 1.00 25.00 S ATOM 0 H CYS A 11 7.794 -9.895 -5.127 1.00 25.00 H new ATOM 0 HA CYS A 11 8.903 -9.021 -7.565 1.00 25.00 H new ATOM 0 HB2 CYS A 11 9.630 -7.116 -6.230 1.00 25.00 H new ATOM 0 HB3 CYS A 11 7.995 -7.568 -5.789 1.00 25.00 H new ATOM 151 N SER A 12 11.452 -9.202 -7.534 1.00 25.00 N ATOM 152 CA SER A 12 12.841 -9.678 -7.692 1.00 25.00 C ATOM 153 C SER A 12 13.813 -8.873 -6.811 1.00 25.00 C ATOM 154 O SER A 12 13.434 -7.778 -6.341 1.00 25.00 O ATOM 155 CB SER A 12 13.280 -9.539 -9.147 1.00 25.00 C ATOM 156 OG SER A 12 12.247 -10.034 -9.961 1.00 25.00 O ATOM 0 H SER A 12 11.156 -8.520 -8.232 1.00 25.00 H new ATOM 0 HA SER A 12 12.865 -10.724 -7.386 1.00 25.00 H new ATOM 0 HB2 SER A 12 13.486 -8.495 -9.385 1.00 25.00 H new ATOM 0 HB3 SER A 12 14.202 -10.094 -9.322 1.00 25.00 H new ATOM 0 HG SER A 12 12.506 -9.954 -10.903 1.00 25.00 H new ATOM 162 N LEU A 13 15.038 -9.355 -6.630 1.00 25.00 N ATOM 163 CA LEU A 13 15.985 -8.674 -5.733 1.00 25.00 C ATOM 164 C LEU A 13 16.354 -7.330 -6.323 1.00 25.00 C ATOM 165 O LEU A 13 16.645 -6.404 -5.597 1.00 25.00 O ATOM 166 CB LEU A 13 17.228 -9.539 -5.423 1.00 25.00 C ATOM 167 CG LEU A 13 18.364 -9.579 -6.448 1.00 25.00 C ATOM 168 CD1 LEU A 13 19.553 -8.624 -6.148 1.00 25.00 C ATOM 169 CD2 LEU A 13 18.902 -11.012 -6.484 1.00 25.00 C ATOM 0 H LEU A 13 15.400 -10.196 -7.079 1.00 25.00 H new ATOM 0 HA LEU A 13 15.498 -8.512 -4.771 1.00 25.00 H new ATOM 0 HB2 LEU A 13 17.646 -9.192 -4.478 1.00 25.00 H new ATOM 0 HB3 LEU A 13 16.888 -10.563 -5.264 1.00 25.00 H new ATOM 0 HG LEU A 13 17.941 -9.245 -7.396 1.00 25.00 H new ATOM 0 HD11 LEU A 13 20.306 -8.724 -6.929 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.195 -7.595 -6.119 1.00 25.00 H new ATOM 0 HD13 LEU A 13 19.993 -8.882 -5.185 1.00 25.00 H new ATOM 0 HD21 LEU A 13 19.716 -11.077 -7.206 1.00 25.00 H new ATOM 0 HD22 LEU A 13 19.271 -11.287 -5.496 1.00 25.00 H new ATOM 0 HD23 LEU A 13 18.103 -11.694 -6.775 1.00 25.00 H new ATOM 181 N TYR A 14 16.317 -7.237 -7.640 1.00 25.00 N ATOM 182 CA TYR A 14 16.583 -5.987 -8.343 1.00 25.00 C ATOM 183 C TYR A 14 15.576 -4.902 -7.876 1.00 25.00 C ATOM 184 O TYR A 14 15.946 -3.732 -7.716 1.00 25.00 O ATOM 185 CB TYR A 14 16.419 -6.176 -9.861 1.00 25.00 C ATOM 186 CG TYR A 14 16.615 -4.903 -10.629 1.00 25.00 C ATOM 187 CD1 TYR A 14 17.901 -4.392 -10.834 1.00 25.00 C ATOM 188 CD2 TYR A 14 15.524 -4.234 -11.149 1.00 25.00 C ATOM 189 CE1 TYR A 14 18.113 -3.219 -11.574 1.00 25.00 C ATOM 190 CE2 TYR A 14 15.710 -3.036 -11.923 1.00 25.00 C ATOM 191 CZ TYR A 14 17.004 -2.565 -12.154 1.00 25.00 C ATOM 192 OH TYR A 14 17.275 -1.451 -12.922 1.00 25.00 O ATOM 0 H TYR A 14 16.102 -8.022 -8.255 1.00 25.00 H new ATOM 0 HA TYR A 14 17.605 -5.681 -8.121 1.00 25.00 H new ATOM 0 HB2 TYR A 14 17.136 -6.919 -10.210 1.00 25.00 H new ATOM 0 HB3 TYR A 14 15.424 -6.571 -10.068 1.00 25.00 H new ATOM 0 HD1 TYR A 14 18.749 -4.912 -10.413 1.00 25.00 H new ATOM 0 HD2 TYR A 14 14.528 -4.612 -10.974 1.00 25.00 H new ATOM 0 HE1 TYR A 14 19.110 -2.822 -11.698 1.00 25.00 H new ATOM 0 HE2 TYR A 14 14.857 -2.506 -12.321 1.00 25.00 H new ATOM 0 HH TYR A 14 16.437 -1.083 -13.272 1.00 25.00 H new ATOM 202 N GLN A 15 14.315 -5.328 -7.661 1.00 25.00 N ATOM 203 CA GLN A 15 13.223 -4.435 -7.227 1.00 25.00 C ATOM 204 C GLN A 15 13.340 -4.117 -5.741 1.00 25.00 C ATOM 205 O GLN A 15 13.242 -2.983 -5.343 1.00 25.00 O ATOM 206 CB GLN A 15 11.907 -5.137 -7.531 1.00 25.00 C ATOM 207 CG GLN A 15 10.811 -4.233 -8.126 1.00 25.00 C ATOM 208 CD GLN A 15 11.099 -3.849 -9.560 1.00 25.00 C ATOM 209 OE1 GLN A 15 11.865 -4.498 -10.215 1.00 25.00 O ATOM 210 NE2 GLN A 15 10.474 -2.789 -10.045 1.00 25.00 N ATOM 0 H GLN A 15 14.026 -6.299 -7.783 1.00 25.00 H new ATOM 0 HA GLN A 15 13.276 -3.486 -7.760 1.00 25.00 H new ATOM 0 HB2 GLN A 15 12.100 -5.954 -8.226 1.00 25.00 H new ATOM 0 HB3 GLN A 15 11.529 -5.583 -6.611 1.00 25.00 H new ATOM 0 HG2 GLN A 15 9.852 -4.748 -8.076 1.00 25.00 H new ATOM 0 HG3 GLN A 15 10.720 -3.330 -7.522 1.00 25.00 H new ATOM 0 HE21 GLN A 15 9.829 -2.263 -9.455 1.00 25.00 H new ATOM 0 HE22 GLN A 15 10.637 -2.498 -11.009 1.00 25.00 H new ATOM 219 N LEU A 16 13.629 -5.116 -4.945 1.00 25.00 N ATOM 220 CA LEU A 16 13.934 -4.931 -3.534 1.00 25.00 C ATOM 221 C LEU A 16 15.065 -3.895 -3.292 1.00 25.00 C ATOM 222 O LEU A 16 14.934 -3.002 -2.468 1.00 25.00 O ATOM 223 CB LEU A 16 14.334 -6.264 -2.958 1.00 25.00 C ATOM 224 CG LEU A 16 14.316 -6.279 -1.431 1.00 25.00 C ATOM 225 CD1 LEU A 16 12.931 -6.200 -0.855 1.00 25.00 C ATOM 226 CD2 LEU A 16 14.964 -7.581 -0.942 1.00 25.00 C ATOM 0 H LEU A 16 13.661 -6.088 -5.252 1.00 25.00 H new ATOM 0 HA LEU A 16 13.043 -4.539 -3.044 1.00 25.00 H new ATOM 0 HB2 LEU A 16 13.659 -7.034 -3.332 1.00 25.00 H new ATOM 0 HB3 LEU A 16 15.334 -6.520 -3.307 1.00 25.00 H new ATOM 0 HG LEU A 16 14.863 -5.397 -1.097 1.00 25.00 H new ATOM 0 HD11 LEU A 16 12.988 -6.215 0.233 1.00 25.00 H new ATOM 0 HD12 LEU A 16 12.454 -5.276 -1.181 1.00 25.00 H new ATOM 0 HD13 LEU A 16 12.345 -7.052 -1.199 1.00 25.00 H new ATOM 0 HD21 LEU A 16 14.957 -7.604 0.148 1.00 25.00 H new ATOM 0 HD22 LEU A 16 14.403 -8.433 -1.326 1.00 25.00 H new ATOM 0 HD23 LEU A 16 15.992 -7.632 -1.300 1.00 25.00 H new ATOM 238 N GLU A 17 16.099 -3.964 -4.079 1.00 25.00 N ATOM 239 CA GLU A 17 17.194 -2.996 -4.041 1.00 25.00 C ATOM 240 C GLU A 17 16.818 -1.585 -4.406 1.00 25.00 C ATOM 241 O GLU A 17 17.545 -0.682 -4.081 1.00 25.00 O ATOM 242 CB GLU A 17 18.276 -3.471 -5.013 1.00 25.00 C ATOM 243 CG GLU A 17 19.167 -4.489 -4.416 1.00 25.00 C ATOM 244 CD GLU A 17 19.980 -3.941 -3.265 1.00 25.00 C ATOM 245 OE1 GLU A 17 20.486 -2.877 -3.279 1.00 25.00 O ATOM 246 OE2 GLU A 17 20.089 -4.724 -2.258 1.00 25.00 O ATOM 0 H GLU A 17 16.222 -4.696 -4.778 1.00 25.00 H new ATOM 0 HA GLU A 17 17.528 -2.956 -3.004 1.00 25.00 H new ATOM 0 HB2 GLU A 17 17.803 -3.884 -5.904 1.00 25.00 H new ATOM 0 HB3 GLU A 17 18.871 -2.616 -5.335 1.00 25.00 H new ATOM 0 HG2 GLU A 17 18.569 -5.331 -4.066 1.00 25.00 H new ATOM 0 HG3 GLU A 17 19.840 -4.873 -5.182 1.00 25.00 H new ATOM 254 N ASN A 18 15.692 -1.378 -5.093 1.00 25.00 N ATOM 255 CA ASN A 18 15.223 -0.014 -5.327 1.00 25.00 C ATOM 256 C ASN A 18 14.844 0.658 -4.001 1.00 25.00 C ATOM 257 O ASN A 18 14.840 1.879 -3.925 1.00 25.00 O ATOM 258 CB ASN A 18 14.025 -0.003 -6.336 1.00 25.00 C ATOM 259 CG ASN A 18 13.824 1.371 -6.980 1.00 25.00 C ATOM 260 OD1 ASN A 18 13.310 2.293 -6.351 1.00 25.00 O ATOM 261 ND2 ASN A 18 14.271 1.523 -8.195 1.00 25.00 N ATOM 0 H ASN A 18 15.105 -2.114 -5.486 1.00 25.00 H new ATOM 0 HA ASN A 18 16.035 0.560 -5.774 1.00 25.00 H new ATOM 0 HB2 ASN A 18 14.201 -0.745 -7.115 1.00 25.00 H new ATOM 0 HB3 ASN A 18 13.112 -0.296 -5.817 1.00 25.00 H new ATOM 0 HD21 ASN A 18 14.200 2.431 -8.655 1.00 25.00 H new ATOM 0 HD22 ASN A 18 14.692 0.734 -8.686 1.00 25.00 H new ATOM 268 N TYR A 19 14.525 -0.135 -2.969 1.00 25.00 N ATOM 269 CA TYR A 19 14.165 0.417 -1.649 1.00 25.00 C ATOM 270 C TYR A 19 15.408 0.647 -0.805 1.00 25.00 C ATOM 271 O TYR A 19 15.340 1.210 0.304 1.00 25.00 O ATOM 272 CB TYR A 19 13.284 -0.598 -0.920 1.00 25.00 C ATOM 273 CG TYR A 19 11.960 -0.843 -1.611 1.00 25.00 C ATOM 274 CD1 TYR A 19 10.846 -0.010 -1.362 1.00 25.00 C ATOM 275 CD2 TYR A 19 11.806 -1.929 -2.454 1.00 25.00 C ATOM 276 CE1 TYR A 19 9.608 -0.237 -1.995 1.00 25.00 C ATOM 277 CE2 TYR A 19 10.569 -2.188 -3.096 1.00 25.00 C ATOM 278 CZ TYR A 19 9.467 -1.321 -2.862 1.00 25.00 C ATOM 279 OH TYR A 19 8.217 -1.538 -3.474 1.00 25.00 O ATOM 0 H TYR A 19 14.508 -1.154 -3.018 1.00 25.00 H new ATOM 0 HA TYR A 19 13.646 1.364 -1.796 1.00 25.00 H new ATOM 0 HB2 TYR A 19 13.822 -1.542 -0.835 1.00 25.00 H new ATOM 0 HB3 TYR A 19 13.097 -0.245 0.094 1.00 25.00 H new ATOM 0 HD1 TYR A 19 10.945 0.816 -0.674 1.00 25.00 H new ATOM 0 HD2 TYR A 19 12.642 -2.591 -2.626 1.00 25.00 H new ATOM 0 HE1 TYR A 19 8.774 0.424 -1.810 1.00 25.00 H new ATOM 0 HE2 TYR A 19 10.465 -3.036 -3.757 1.00 25.00 H new ATOM 0 HH TYR A 19 7.634 -0.768 -3.308 1.00 25.00 H new ATOM 289 N CYS A 20 16.531 0.164 -1.339 1.00 25.00 N ATOM 290 CA CYS A 20 17.829 0.252 -0.684 1.00 25.00 C ATOM 291 C CYS A 20 18.606 1.301 -1.469 1.00 25.00 C ATOM 292 O CYS A 20 19.769 1.206 -1.725 1.00 25.00 O ATOM 293 CB CYS A 20 18.485 -1.140 -0.750 1.00 25.00 C ATOM 294 SG CYS A 20 19.753 -1.435 0.522 1.00 25.00 S ATOM 0 H CYS A 20 16.561 -0.302 -2.246 1.00 25.00 H new ATOM 0 HA CYS A 20 17.782 0.539 0.366 1.00 25.00 H new ATOM 0 HB2 CYS A 20 17.709 -1.899 -0.654 1.00 25.00 H new ATOM 0 HB3 CYS A 20 18.937 -1.269 -1.733 1.00 25.00 H new ATOM 299 N ASN A 21 17.838 2.382 -1.843 1.00 25.00 N ATOM 300 CA ASN A 21 18.292 3.574 -2.594 1.00 25.00 C ATOM 301 C ASN A 21 18.849 3.266 -3.986 1.00 25.00 C ATOM 302 O ASN A 21 18.207 3.356 -5.002 1.00 25.00 O ATOM 303 CB ASN A 21 19.284 4.438 -1.784 1.00 25.00 C ATOM 304 CG ASN A 21 19.151 5.860 -2.261 1.00 25.00 C ATOM 305 OD1 ASN A 21 19.433 6.302 -3.354 1.00 25.00 O ATOM 306 ND2 ASN A 21 18.627 6.663 -1.361 1.00 25.00 N ATOM 307 OXT ASN A 21 20.105 2.971 -4.004 1.00 25.00 O ATOM 0 H ASN A 21 16.846 2.432 -1.611 1.00 25.00 H new ATOM 0 HA ASN A 21 17.384 4.155 -2.753 1.00 25.00 H new ATOM 0 HB2 ASN A 21 19.067 4.371 -0.718 1.00 25.00 H new ATOM 0 HB3 ASN A 21 20.304 4.082 -1.925 1.00 25.00 H new ATOM 0 HD21 ASN A 21 18.463 7.644 -1.587 1.00 25.00 H new ATOM 0 HD22 ASN A 21 18.385 6.305 -0.437 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 31 20.857 -14.715 -2.638 1.00 25.00 N ATOM 317 CA PHE B 31 19.473 -14.260 -2.348 1.00 25.00 C ATOM 318 C PHE B 31 18.410 -15.208 -2.934 1.00 25.00 C ATOM 319 O PHE B 31 18.367 -15.462 -4.102 1.00 25.00 O ATOM 320 CB PHE B 31 19.301 -12.788 -2.859 1.00 25.00 C ATOM 321 CG PHE B 31 17.945 -12.198 -2.571 1.00 25.00 C ATOM 322 CD1 PHE B 31 16.830 -12.399 -3.412 1.00 25.00 C ATOM 323 CD2 PHE B 31 17.747 -11.441 -1.416 1.00 25.00 C ATOM 324 CE1 PHE B 31 15.579 -11.897 -3.072 1.00 25.00 C ATOM 325 CE2 PHE B 31 16.520 -10.916 -1.082 1.00 25.00 C ATOM 326 CZ PHE B 31 15.432 -11.166 -1.904 1.00 25.00 C ATOM 0 HA PHE B 31 19.315 -14.281 -1.270 1.00 25.00 H new ATOM 0 HB2 PHE B 31 20.065 -12.162 -2.398 1.00 25.00 H new ATOM 0 HB3 PHE B 31 19.476 -12.764 -3.935 1.00 25.00 H new ATOM 0 HD1 PHE B 31 16.950 -12.951 -4.333 1.00 25.00 H new ATOM 0 HD2 PHE B 31 18.587 -11.261 -0.761 1.00 25.00 H new ATOM 0 HE1 PHE B 31 14.728 -12.075 -3.713 1.00 25.00 H new ATOM 0 HE2 PHE B 31 16.406 -10.317 -0.191 1.00 25.00 H new ATOM 0 HZ PHE B 31 14.458 -10.787 -1.631 1.00 25.00 H new ATOM 337 N VAL B 32 17.598 -15.808 -2.034 1.00 25.00 N ATOM 338 CA VAL B 32 16.557 -16.736 -2.433 1.00 25.00 C ATOM 339 C VAL B 32 15.281 -15.946 -2.648 1.00 25.00 C ATOM 340 O VAL B 32 15.170 -14.837 -2.192 1.00 25.00 O ATOM 341 CB VAL B 32 16.328 -17.774 -1.340 1.00 25.00 C ATOM 342 CG1 VAL B 32 17.554 -18.669 -1.154 1.00 25.00 C ATOM 343 CG2 VAL B 32 15.957 -17.113 0.027 1.00 25.00 C ATOM 0 H VAL B 32 17.657 -15.654 -1.027 1.00 25.00 H new ATOM 0 HA VAL B 32 16.852 -17.252 -3.347 1.00 25.00 H new ATOM 0 HB VAL B 32 15.487 -18.384 -1.669 1.00 25.00 H new ATOM 0 HG11 VAL B 32 17.357 -19.397 -0.368 1.00 25.00 H new ATOM 0 HG12 VAL B 32 17.768 -19.191 -2.087 1.00 25.00 H new ATOM 0 HG13 VAL B 32 18.412 -18.057 -0.875 1.00 25.00 H new ATOM 0 HG21 VAL B 32 15.803 -17.889 0.777 1.00 25.00 H new ATOM 0 HG22 VAL B 32 16.767 -16.457 0.346 1.00 25.00 H new ATOM 0 HG23 VAL B 32 15.042 -16.531 -0.087 1.00 25.00 H new ATOM 353 N ASN B 33 14.337 -16.530 -3.373 1.00 25.00 N ATOM 354 CA ASN B 33 13.048 -15.868 -3.670 1.00 25.00 C ATOM 355 C ASN B 33 11.930 -16.681 -3.018 1.00 25.00 C ATOM 356 O ASN B 33 11.990 -17.874 -2.933 1.00 25.00 O ATOM 357 CB ASN B 33 12.882 -15.747 -5.208 1.00 25.00 C ATOM 358 CG ASN B 33 12.837 -17.118 -5.908 1.00 25.00 C ATOM 359 OD1 ASN B 33 13.711 -17.945 -5.770 1.00 25.00 O ATOM 360 ND2 ASN B 33 11.821 -17.326 -6.704 1.00 25.00 N ATOM 0 H ASN B 33 14.428 -17.464 -3.773 1.00 25.00 H new ATOM 0 HA ASN B 33 13.011 -14.858 -3.262 1.00 25.00 H new ATOM 0 HB2 ASN B 33 11.965 -15.200 -5.429 1.00 25.00 H new ATOM 0 HB3 ASN B 33 13.708 -15.163 -5.614 1.00 25.00 H new ATOM 0 HD21 ASN B 33 11.752 -18.200 -7.225 1.00 25.00 H new ATOM 0 HD22 ASN B 33 11.097 -16.614 -6.804 1.00 25.00 H new ATOM 367 N GLN B 34 10.889 -15.998 -2.563 1.00 25.00 N ATOM 368 CA GLN B 34 9.751 -16.669 -1.949 1.00 25.00 C ATOM 369 C GLN B 34 8.652 -15.634 -1.893 1.00 25.00 C ATOM 370 O GLN B 34 8.857 -14.489 -2.291 1.00 25.00 O ATOM 371 CB GLN B 34 10.043 -17.177 -0.498 1.00 25.00 C ATOM 372 CG GLN B 34 10.407 -16.091 0.536 1.00 25.00 C ATOM 373 CD GLN B 34 11.889 -15.855 0.596 1.00 25.00 C ATOM 374 OE1 GLN B 34 12.400 -15.075 -0.160 1.00 25.00 O ATOM 375 NE2 GLN B 34 12.592 -16.520 1.487 1.00 25.00 N ATOM 0 H GLN B 34 10.808 -14.982 -2.607 1.00 25.00 H new ATOM 0 HA GLN B 34 9.493 -17.552 -2.533 1.00 25.00 H new ATOM 0 HB2 GLN B 34 9.165 -17.714 -0.138 1.00 25.00 H new ATOM 0 HB3 GLN B 34 10.860 -17.897 -0.543 1.00 25.00 H new ATOM 0 HG2 GLN B 34 9.900 -15.160 0.280 1.00 25.00 H new ATOM 0 HG3 GLN B 34 10.046 -16.390 1.520 1.00 25.00 H new ATOM 0 HE21 GLN B 34 12.129 -17.176 2.116 1.00 25.00 H new ATOM 0 HE22 GLN B 34 13.600 -16.379 1.549 1.00 25.00 H new ATOM 384 N HIS B 35 7.478 -15.965 -1.419 1.00 25.00 N ATOM 385 CA HIS B 35 6.439 -14.958 -1.308 1.00 25.00 C ATOM 386 C HIS B 35 6.688 -14.075 -0.092 1.00 25.00 C ATOM 387 O HIS B 35 6.083 -14.262 0.954 1.00 25.00 O ATOM 388 CB HIS B 35 5.080 -15.644 -1.136 1.00 25.00 C ATOM 389 CG HIS B 35 4.635 -16.419 -2.344 1.00 25.00 C ATOM 390 ND1 HIS B 35 4.122 -15.808 -3.513 1.00 25.00 N ATOM 391 CD2 HIS B 35 4.613 -17.742 -2.617 1.00 25.00 C ATOM 392 CE1 HIS B 35 3.825 -16.771 -4.393 1.00 25.00 C ATOM 393 NE2 HIS B 35 4.115 -17.938 -3.861 1.00 25.00 N ATOM 0 H HIS B 35 7.215 -16.900 -1.108 1.00 25.00 H new ATOM 0 HA HIS B 35 6.447 -14.349 -2.212 1.00 25.00 H new ATOM 0 HB2 HIS B 35 5.129 -16.318 -0.281 1.00 25.00 H new ATOM 0 HB3 HIS B 35 4.329 -14.889 -0.903 1.00 25.00 H new ATOM 0 HD2 HIS B 35 4.942 -18.523 -1.947 1.00 25.00 H new ATOM 0 HE1 HIS B 35 3.414 -16.615 -5.380 1.00 25.00 H new ATOM 0 HE2 HIS B 35 3.986 -18.844 -4.312 1.00 25.00 H new ATOM 402 N LEU B 36 7.614 -13.121 -0.202 1.00 25.00 N ATOM 403 CA LEU B 36 7.935 -12.210 0.923 1.00 25.00 C ATOM 404 C LEU B 36 6.771 -11.239 1.181 1.00 25.00 C ATOM 405 O LEU B 36 6.401 -10.451 0.279 1.00 25.00 O ATOM 406 CB LEU B 36 9.156 -11.387 0.586 1.00 25.00 C ATOM 407 CG LEU B 36 10.510 -12.099 0.527 1.00 25.00 C ATOM 408 CD1 LEU B 36 11.538 -11.133 -0.102 1.00 25.00 C ATOM 409 CD2 LEU B 36 10.973 -12.526 1.934 1.00 25.00 C ATOM 0 H LEU B 36 8.157 -12.951 -1.048 1.00 25.00 H new ATOM 0 HA LEU B 36 8.115 -12.821 1.808 1.00 25.00 H new ATOM 0 HB2 LEU B 36 8.984 -10.916 -0.382 1.00 25.00 H new ATOM 0 HB3 LEU B 36 9.232 -10.586 1.321 1.00 25.00 H new ATOM 0 HG LEU B 36 10.420 -13.002 -0.077 1.00 25.00 H new ATOM 0 HD11 LEU B 36 12.511 -11.621 -0.154 1.00 25.00 H new ATOM 0 HD12 LEU B 36 11.214 -10.861 -1.107 1.00 25.00 H new ATOM 0 HD13 LEU B 36 11.615 -10.234 0.510 1.00 25.00 H new ATOM 0 HD21 LEU B 36 11.937 -13.029 1.863 1.00 25.00 H new ATOM 0 HD22 LEU B 36 11.070 -11.645 2.568 1.00 25.00 H new ATOM 0 HD23 LEU B 36 10.240 -13.206 2.367 1.00 25.00 H new ATOM 421 N CYS B 37 6.209 -11.277 2.377 1.00 25.00 N ATOM 422 CA CYS B 37 5.061 -10.451 2.738 1.00 25.00 C ATOM 423 C CYS B 37 5.276 -10.114 4.199 1.00 25.00 C ATOM 424 O CYS B 37 6.081 -10.814 4.868 1.00 25.00 O ATOM 425 CB CYS B 37 3.730 -11.231 2.538 1.00 25.00 C ATOM 426 SG CYS B 37 2.385 -10.233 1.770 1.00 25.00 S ATOM 0 H CYS B 37 6.535 -11.883 3.130 1.00 25.00 H new ATOM 0 HA CYS B 37 4.984 -9.559 2.116 1.00 25.00 H new ATOM 0 HB2 CYS B 37 3.922 -12.104 1.914 1.00 25.00 H new ATOM 0 HB3 CYS B 37 3.388 -11.600 3.505 1.00 25.00 H new ATOM 431 N GLY B 38 4.498 -9.166 4.727 1.00 25.00 N ATOM 432 CA GLY B 38 4.542 -8.824 6.146 1.00 25.00 C ATOM 433 C GLY B 38 5.956 -8.638 6.702 1.00 25.00 C ATOM 434 O GLY B 38 6.814 -7.972 6.167 1.00 25.00 O ATOM 0 H GLY B 38 3.827 -8.620 4.187 1.00 25.00 H new ATOM 0 HA2 GLY B 38 3.977 -7.905 6.305 1.00 25.00 H new ATOM 0 HA3 GLY B 38 4.041 -9.608 6.713 1.00 25.00 H new ATOM 438 N SER B 39 6.190 -9.250 7.854 1.00 25.00 N ATOM 439 CA SER B 39 7.491 -9.112 8.548 1.00 25.00 C ATOM 440 C SER B 39 8.663 -9.729 7.798 1.00 25.00 C ATOM 441 O SER B 39 9.780 -9.242 7.882 1.00 25.00 O ATOM 442 CB SER B 39 7.368 -9.794 9.932 1.00 25.00 C ATOM 443 OG SER B 39 5.998 -9.952 10.270 1.00 25.00 O ATOM 0 H SER B 39 5.514 -9.843 8.335 1.00 25.00 H new ATOM 0 HA SER B 39 7.704 -8.046 8.624 1.00 25.00 H new ATOM 0 HB2 SER B 39 7.862 -10.765 9.914 1.00 25.00 H new ATOM 0 HB3 SER B 39 7.872 -9.194 10.690 1.00 25.00 H new ATOM 0 HG SER B 39 5.925 -10.386 11.146 1.00 25.00 H new ATOM 449 N HIS B 40 8.433 -10.818 7.075 1.00 25.00 N ATOM 450 CA HIS B 40 9.539 -11.447 6.343 1.00 25.00 C ATOM 451 C HIS B 40 10.035 -10.433 5.321 1.00 25.00 C ATOM 452 O HIS B 40 11.229 -10.412 5.058 1.00 25.00 O ATOM 453 CB HIS B 40 9.066 -12.685 5.603 1.00 25.00 C ATOM 454 CG HIS B 40 8.969 -13.923 6.494 1.00 25.00 C ATOM 455 ND1 HIS B 40 8.261 -15.085 6.109 1.00 25.00 N ATOM 456 CD2 HIS B 40 9.521 -14.238 7.706 1.00 25.00 C ATOM 457 CE1 HIS B 40 8.440 -16.033 7.008 1.00 25.00 C ATOM 458 NE2 HIS B 40 9.183 -15.541 7.983 1.00 25.00 N ATOM 0 H HIS B 40 7.527 -11.275 6.977 1.00 25.00 H new ATOM 0 HA HIS B 40 10.322 -11.742 7.042 1.00 25.00 H new ATOM 0 HB2 HIS B 40 8.089 -12.485 5.163 1.00 25.00 H new ATOM 0 HB3 HIS B 40 9.750 -12.891 4.780 1.00 25.00 H new ATOM 0 HD2 HIS B 40 10.113 -13.584 8.329 1.00 25.00 H new ATOM 0 HE1 HIS B 40 8.047 -17.038 6.956 1.00 25.00 H new ATOM 0 HE2 HIS B 40 9.465 -16.053 8.819 1.00 25.00 H new ATOM 467 N LEU B 41 9.182 -9.610 4.755 1.00 25.00 N ATOM 468 CA LEU B 41 9.645 -8.665 3.724 1.00 25.00 C ATOM 469 C LEU B 41 10.654 -7.648 4.365 1.00 25.00 C ATOM 470 O LEU B 41 11.713 -7.390 3.790 1.00 25.00 O ATOM 471 CB LEU B 41 8.368 -7.960 3.117 1.00 25.00 C ATOM 472 CG LEU B 41 8.485 -7.168 1.789 1.00 25.00 C ATOM 473 CD1 LEU B 41 7.047 -6.936 1.302 1.00 25.00 C ATOM 474 CD2 LEU B 41 9.182 -5.826 1.889 1.00 25.00 C ATOM 0 H LEU B 41 8.187 -9.563 4.972 1.00 25.00 H new ATOM 0 HA LEU B 41 10.179 -9.169 2.918 1.00 25.00 H new ATOM 0 HB2 LEU B 41 7.610 -8.729 2.971 1.00 25.00 H new ATOM 0 HB3 LEU B 41 7.985 -7.274 3.872 1.00 25.00 H new ATOM 0 HG LEU B 41 9.103 -7.757 1.111 1.00 25.00 H new ATOM 0 HD11 LEU B 41 7.066 -6.380 0.365 1.00 25.00 H new ATOM 0 HD12 LEU B 41 6.557 -7.897 1.144 1.00 25.00 H new ATOM 0 HD13 LEU B 41 6.497 -6.367 2.051 1.00 25.00 H new ATOM 0 HD21 LEU B 41 9.210 -5.356 0.906 1.00 25.00 H new ATOM 0 HD22 LEU B 41 8.638 -5.184 2.582 1.00 25.00 H new ATOM 0 HD23 LEU B 41 10.200 -5.971 2.251 1.00 25.00 H new ATOM 486 N VAL B 42 10.308 -7.103 5.509 1.00 25.00 N ATOM 487 CA VAL B 42 11.109 -6.079 6.153 1.00 25.00 C ATOM 488 C VAL B 42 12.427 -6.697 6.541 1.00 25.00 C ATOM 489 O VAL B 42 13.503 -6.072 6.362 1.00 25.00 O ATOM 490 CB VAL B 42 10.388 -5.635 7.438 1.00 25.00 C ATOM 491 CG1 VAL B 42 11.132 -4.538 8.191 1.00 25.00 C ATOM 492 CG2 VAL B 42 8.956 -5.188 7.090 1.00 25.00 C ATOM 0 H VAL B 42 9.463 -7.355 6.022 1.00 25.00 H new ATOM 0 HA VAL B 42 11.259 -5.229 5.487 1.00 25.00 H new ATOM 0 HB VAL B 42 10.356 -6.492 8.111 1.00 25.00 H new ATOM 0 HG11 VAL B 42 10.573 -4.269 9.087 1.00 25.00 H new ATOM 0 HG12 VAL B 42 12.121 -4.898 8.475 1.00 25.00 H new ATOM 0 HG13 VAL B 42 11.235 -3.662 7.550 1.00 25.00 H new ATOM 0 HG21 VAL B 42 8.442 -4.873 7.998 1.00 25.00 H new ATOM 0 HG22 VAL B 42 8.995 -4.355 6.388 1.00 25.00 H new ATOM 0 HG23 VAL B 42 8.415 -6.019 6.637 1.00 25.00 H new ATOM 502 N GLU B 43 12.338 -7.943 6.974 1.00 25.00 N ATOM 503 CA GLU B 43 13.501 -8.679 7.458 1.00 25.00 C ATOM 504 C GLU B 43 14.459 -8.934 6.293 1.00 25.00 C ATOM 505 O GLU B 43 15.631 -8.676 6.371 1.00 25.00 O ATOM 506 CB GLU B 43 13.040 -10.002 8.083 1.00 25.00 C ATOM 507 CG GLU B 43 14.126 -10.773 8.790 1.00 25.00 C ATOM 508 CD GLU B 43 13.586 -11.976 9.555 1.00 25.00 C ATOM 509 OE1 GLU B 43 12.447 -12.313 9.499 1.00 25.00 O ATOM 510 OE2 GLU B 43 14.453 -12.578 10.336 1.00 25.00 O ATOM 0 H GLU B 43 11.467 -8.472 7.001 1.00 25.00 H new ATOM 0 HA GLU B 43 14.023 -8.098 8.218 1.00 25.00 H new ATOM 0 HB2 GLU B 43 12.239 -9.794 8.793 1.00 25.00 H new ATOM 0 HB3 GLU B 43 12.617 -10.631 7.300 1.00 25.00 H new ATOM 0 HG2 GLU B 43 14.861 -11.111 8.060 1.00 25.00 H new ATOM 0 HG3 GLU B 43 14.646 -10.110 9.482 1.00 25.00 H new ATOM 518 N ALA B 44 13.941 -9.470 5.195 1.00 25.00 N ATOM 519 CA ALA B 44 14.737 -9.735 4.002 1.00 25.00 C ATOM 520 C ALA B 44 15.388 -8.428 3.459 1.00 25.00 C ATOM 521 O ALA B 44 16.556 -8.427 3.164 1.00 25.00 O ATOM 522 CB ALA B 44 13.840 -10.336 2.922 1.00 25.00 C ATOM 0 H ALA B 44 12.960 -9.733 5.106 1.00 25.00 H new ATOM 0 HA ALA B 44 15.532 -10.432 4.266 1.00 25.00 H new ATOM 0 HB1 ALA B 44 14.431 -10.536 2.028 1.00 25.00 H new ATOM 0 HB2 ALA B 44 13.406 -11.267 3.286 1.00 25.00 H new ATOM 0 HB3 ALA B 44 13.042 -9.634 2.680 1.00 25.00 H new ATOM 528 N LEU B 45 14.657 -7.345 3.450 1.00 25.00 N ATOM 529 CA LEU B 45 15.192 -6.065 2.955 1.00 25.00 C ATOM 530 C LEU B 45 16.308 -5.518 3.865 1.00 25.00 C ATOM 531 O LEU B 45 17.318 -4.989 3.427 1.00 25.00 O ATOM 532 CB LEU B 45 14.028 -5.085 2.861 1.00 25.00 C ATOM 533 CG LEU B 45 14.151 -3.873 1.896 1.00 25.00 C ATOM 534 CD1 LEU B 45 12.720 -3.298 1.825 1.00 25.00 C ATOM 535 CD2 LEU B 45 15.107 -2.832 2.409 1.00 25.00 C ATOM 0 H LEU B 45 13.691 -7.304 3.775 1.00 25.00 H new ATOM 0 HA LEU B 45 15.647 -6.211 1.976 1.00 25.00 H new ATOM 0 HB2 LEU B 45 13.142 -5.650 2.571 1.00 25.00 H new ATOM 0 HB3 LEU B 45 13.843 -4.694 3.861 1.00 25.00 H new ATOM 0 HG LEU B 45 14.543 -4.175 0.925 1.00 25.00 H new ATOM 0 HD11 LEU B 45 12.708 -2.433 1.162 1.00 25.00 H new ATOM 0 HD12 LEU B 45 12.041 -4.059 1.441 1.00 25.00 H new ATOM 0 HD13 LEU B 45 12.399 -2.996 2.822 1.00 25.00 H new ATOM 0 HD21 LEU B 45 15.159 -2.005 1.701 1.00 25.00 H new ATOM 0 HD22 LEU B 45 14.759 -2.462 3.373 1.00 25.00 H new ATOM 0 HD23 LEU B 45 16.097 -3.273 2.525 1.00 25.00 H new ATOM 547 N TYR B 46 16.138 -5.709 5.162 1.00 25.00 N ATOM 548 CA TYR B 46 17.136 -5.303 6.157 1.00 25.00 C ATOM 549 C TYR B 46 18.414 -6.091 5.909 1.00 25.00 C ATOM 550 O TYR B 46 19.481 -5.501 5.838 1.00 25.00 O ATOM 551 CB TYR B 46 16.616 -5.545 7.599 1.00 25.00 C ATOM 552 CG TYR B 46 17.630 -5.289 8.644 1.00 25.00 C ATOM 553 CD1 TYR B 46 18.575 -6.280 8.985 1.00 25.00 C ATOM 554 CD2 TYR B 46 17.666 -4.052 9.337 1.00 25.00 C ATOM 555 CE1 TYR B 46 19.540 -6.036 9.980 1.00 25.00 C ATOM 556 CE2 TYR B 46 18.631 -3.795 10.380 1.00 25.00 C ATOM 557 CZ TYR B 46 19.559 -4.793 10.676 1.00 25.00 C ATOM 558 OH TYR B 46 20.519 -4.626 11.619 1.00 25.00 O ATOM 0 H TYR B 46 15.309 -6.148 5.562 1.00 25.00 H new ATOM 0 HA TYR B 46 17.333 -4.236 6.058 1.00 25.00 H new ATOM 0 HB2 TYR B 46 15.753 -4.904 7.777 1.00 25.00 H new ATOM 0 HB3 TYR B 46 16.271 -6.575 7.684 1.00 25.00 H new ATOM 0 HD1 TYR B 46 18.558 -7.234 8.478 1.00 25.00 H new ATOM 0 HD2 TYR B 46 16.954 -3.283 9.078 1.00 25.00 H new ATOM 0 HE1 TYR B 46 20.270 -6.795 10.217 1.00 25.00 H new ATOM 0 HE2 TYR B 46 18.634 -2.857 10.915 1.00 25.00 H new ATOM 0 HH TYR B 46 21.313 -5.146 11.373 1.00 25.00 H new ATOM 568 N LEU B 47 18.293 -7.396 5.745 1.00 25.00 N ATOM 569 CA LEU B 47 19.445 -8.257 5.540 1.00 25.00 C ATOM 570 C LEU B 47 20.200 -7.938 4.280 1.00 25.00 C ATOM 571 O LEU B 47 21.435 -7.997 4.275 1.00 25.00 O ATOM 572 CB LEU B 47 18.997 -9.722 5.457 1.00 25.00 C ATOM 573 CG LEU B 47 18.467 -10.282 6.783 1.00 25.00 C ATOM 574 CD1 LEU B 47 17.759 -11.601 6.608 1.00 25.00 C ATOM 575 CD2 LEU B 47 19.638 -10.452 7.800 1.00 25.00 C ATOM 0 H LEU B 47 17.399 -7.887 5.750 1.00 25.00 H new ATOM 0 HA LEU B 47 20.105 -8.087 6.391 1.00 25.00 H new ATOM 0 HB2 LEU B 47 18.220 -9.812 4.698 1.00 25.00 H new ATOM 0 HB3 LEU B 47 19.838 -10.331 5.126 1.00 25.00 H new ATOM 0 HG LEU B 47 17.741 -9.564 7.164 1.00 25.00 H new ATOM 0 HD11 LEU B 47 17.403 -11.954 7.576 1.00 25.00 H new ATOM 0 HD12 LEU B 47 16.912 -11.473 5.935 1.00 25.00 H new ATOM 0 HD13 LEU B 47 18.450 -12.332 6.187 1.00 25.00 H new ATOM 0 HD21 LEU B 47 19.251 -10.850 8.738 1.00 25.00 H new ATOM 0 HD22 LEU B 47 20.378 -11.141 7.391 1.00 25.00 H new ATOM 0 HD23 LEU B 47 20.105 -9.484 7.982 1.00 25.00 H new ATOM 587 N VAL B 48 19.471 -7.684 3.204 1.00 25.00 N ATOM 588 CA VAL B 48 20.119 -7.433 1.902 1.00 25.00 C ATOM 589 C VAL B 48 20.873 -6.087 1.902 1.00 25.00 C ATOM 590 O VAL B 48 21.977 -6.029 1.345 1.00 25.00 O ATOM 591 CB VAL B 48 19.148 -7.538 0.676 1.00 25.00 C ATOM 592 CG1 VAL B 48 18.176 -6.378 0.608 1.00 25.00 C ATOM 593 CG2 VAL B 48 19.918 -7.681 -0.630 1.00 25.00 C ATOM 0 H VAL B 48 18.452 -7.644 3.192 1.00 25.00 H new ATOM 0 HA VAL B 48 20.842 -8.239 1.775 1.00 25.00 H new ATOM 0 HB VAL B 48 18.557 -8.442 0.823 1.00 25.00 H new ATOM 0 HG11 VAL B 48 17.526 -6.498 -0.259 1.00 25.00 H new ATOM 0 HG12 VAL B 48 17.572 -6.356 1.515 1.00 25.00 H new ATOM 0 HG13 VAL B 48 18.730 -5.444 0.519 1.00 25.00 H new ATOM 0 HG21 VAL B 48 19.216 -7.751 -1.461 1.00 25.00 H new ATOM 0 HG22 VAL B 48 20.560 -6.812 -0.771 1.00 25.00 H new ATOM 0 HG23 VAL B 48 20.530 -8.582 -0.595 1.00 25.00 H new ATOM 603 N CYS B 49 20.344 -5.080 2.599 1.00 25.00 N ATOM 604 CA CYS B 49 21.053 -3.799 2.733 1.00 25.00 C ATOM 605 C CYS B 49 22.179 -3.907 3.767 1.00 25.00 C ATOM 606 O CYS B 49 23.311 -3.465 3.486 1.00 25.00 O ATOM 607 CB CYS B 49 20.117 -2.679 3.241 1.00 25.00 C ATOM 608 SG CYS B 49 18.805 -2.279 2.092 1.00 25.00 S ATOM 0 H CYS B 49 19.442 -5.121 3.074 1.00 25.00 H new ATOM 0 HA CYS B 49 21.437 -3.563 1.741 1.00 25.00 H new ATOM 0 HB2 CYS B 49 19.678 -2.984 4.191 1.00 25.00 H new ATOM 0 HB3 CYS B 49 20.706 -1.783 3.436 1.00 25.00 H new ATOM 613 N GLY B 50 21.891 -4.441 4.916 1.00 25.00 N ATOM 614 CA GLY B 50 22.899 -4.546 5.970 1.00 25.00 C ATOM 615 C GLY B 50 23.125 -3.211 6.677 1.00 25.00 C ATOM 616 O GLY B 50 23.205 -3.182 7.906 1.00 25.00 O ATOM 0 H GLY B 50 20.974 -4.814 5.163 1.00 25.00 H new ATOM 0 HA2 GLY B 50 22.586 -5.294 6.698 1.00 25.00 H new ATOM 0 HA3 GLY B 50 23.839 -4.893 5.540 1.00 25.00 H new ATOM 620 N GLU B 51 23.265 -2.106 5.952 1.00 25.00 N ATOM 621 CA GLU B 51 23.560 -0.805 6.567 1.00 25.00 C ATOM 622 C GLU B 51 22.339 -0.218 7.343 1.00 25.00 C ATOM 623 O GLU B 51 21.825 0.828 6.947 1.00 25.00 O ATOM 624 CB GLU B 51 23.961 0.197 5.471 1.00 25.00 C ATOM 625 CG GLU B 51 25.174 -0.200 4.579 1.00 25.00 C ATOM 626 CD GLU B 51 26.506 -0.137 5.284 1.00 25.00 C ATOM 627 OE1 GLU B 51 26.659 0.332 6.385 1.00 25.00 O ATOM 628 OE2 GLU B 51 27.439 -0.686 4.644 1.00 25.00 O ATOM 0 H GLU B 51 23.180 -2.080 4.936 1.00 25.00 H new ATOM 0 HA GLU B 51 24.370 -0.964 7.279 1.00 25.00 H new ATOM 0 HB2 GLU B 51 23.099 0.358 4.823 1.00 25.00 H new ATOM 0 HB3 GLU B 51 24.185 1.152 5.947 1.00 25.00 H new ATOM 0 HG2 GLU B 51 25.020 -1.213 4.206 1.00 25.00 H new ATOM 0 HG3 GLU B 51 25.203 0.459 3.711 1.00 25.00 H new ATOM 636 N GLN B 52 21.947 -0.811 8.467 1.00 25.00 N ATOM 637 CA GLN B 52 20.910 -0.244 9.350 1.00 25.00 C ATOM 638 C GLN B 52 19.587 0.031 8.633 1.00 25.00 C ATOM 639 O GLN B 52 19.021 1.073 8.763 1.00 25.00 O ATOM 640 CB GLN B 52 21.422 1.047 10.021 1.00 25.00 C ATOM 641 CG GLN B 52 22.693 0.836 10.780 1.00 25.00 C ATOM 642 CD GLN B 52 23.077 2.011 11.662 1.00 25.00 C ATOM 643 OE1 GLN B 52 22.440 2.263 12.683 1.00 25.00 O ATOM 644 NE2 GLN B 52 24.101 2.731 11.292 1.00 25.00 N ATOM 0 H GLN B 52 22.332 -1.695 8.798 1.00 25.00 H new ATOM 0 HA GLN B 52 20.706 -1.001 10.107 1.00 25.00 H new ATOM 0 HB2 GLN B 52 21.581 1.810 9.259 1.00 25.00 H new ATOM 0 HB3 GLN B 52 20.658 1.428 10.698 1.00 25.00 H new ATOM 0 HG2 GLN B 52 22.593 -0.055 11.400 1.00 25.00 H new ATOM 0 HG3 GLN B 52 23.501 0.644 10.074 1.00 25.00 H new ATOM 0 HE21 GLN B 52 24.609 2.495 10.439 1.00 25.00 H new ATOM 0 HE22 GLN B 52 24.394 3.529 11.856 1.00 25.00 H new ATOM 653 N GLY B 53 19.135 -0.922 7.849 1.00 25.00 N ATOM 654 CA GLY B 53 17.983 -0.695 6.947 1.00 25.00 C ATOM 655 C GLY B 53 16.706 -0.204 7.586 1.00 25.00 C ATOM 656 O GLY B 53 15.920 0.469 6.950 1.00 25.00 O ATOM 0 H GLY B 53 19.531 -1.861 7.803 1.00 25.00 H new ATOM 0 HA2 GLY B 53 18.283 0.027 6.188 1.00 25.00 H new ATOM 0 HA3 GLY B 53 17.767 -1.630 6.430 1.00 25.00 H new ATOM 660 N PHE B 54 16.482 -0.557 8.842 1.00 25.00 N ATOM 661 CA PHE B 54 15.278 -0.132 9.603 1.00 25.00 C ATOM 662 C PHE B 54 15.721 0.164 11.047 1.00 25.00 C ATOM 663 O PHE B 54 16.794 0.719 11.248 1.00 25.00 O ATOM 664 CB PHE B 54 14.214 -1.257 9.592 1.00 25.00 C ATOM 665 CG PHE B 54 13.565 -1.448 8.241 1.00 25.00 C ATOM 666 CD1 PHE B 54 12.498 -0.646 7.833 1.00 25.00 C ATOM 667 CD2 PHE B 54 14.011 -2.450 7.368 1.00 25.00 C ATOM 668 CE1 PHE B 54 11.908 -0.841 6.539 1.00 25.00 C ATOM 669 CE2 PHE B 54 13.439 -2.640 6.107 1.00 25.00 C ATOM 670 CZ PHE B 54 12.404 -1.834 5.681 1.00 25.00 C ATOM 0 H PHE B 54 17.119 -1.146 9.378 1.00 25.00 H new ATOM 0 HA PHE B 54 14.834 0.754 9.150 1.00 25.00 H new ATOM 0 HB2 PHE B 54 14.681 -2.193 9.899 1.00 25.00 H new ATOM 0 HB3 PHE B 54 13.444 -1.028 10.329 1.00 25.00 H new ATOM 0 HD1 PHE B 54 12.116 0.121 8.491 1.00 25.00 H new ATOM 0 HD2 PHE B 54 14.820 -3.094 7.679 1.00 25.00 H new ATOM 0 HE1 PHE B 54 11.080 -0.222 6.225 1.00 25.00 H new ATOM 0 HE2 PHE B 54 13.810 -3.423 5.462 1.00 25.00 H new ATOM 0 HZ PHE B 54 11.980 -1.966 4.697 1.00 25.00 H new ATOM 680 N PHE B 55 14.940 -0.238 12.031 1.00 25.00 N ATOM 681 CA PHE B 55 15.309 -0.059 13.430 1.00 25.00 C ATOM 682 C PHE B 55 16.669 -0.683 13.704 1.00 25.00 C ATOM 683 O PHE B 55 16.908 -1.862 13.397 1.00 25.00 O ATOM 684 CB PHE B 55 14.293 -0.783 14.307 1.00 25.00 C ATOM 685 CG PHE B 55 14.635 -0.764 15.786 1.00 25.00 C ATOM 686 CD1 PHE B 55 14.411 0.439 16.530 1.00 25.00 C ATOM 687 CD2 PHE B 55 15.128 -1.906 16.439 1.00 25.00 C ATOM 688 CE1 PHE B 55 14.662 0.478 17.920 1.00 25.00 C ATOM 689 CE2 PHE B 55 15.429 -1.852 17.843 1.00 25.00 C ATOM 690 CZ PHE B 55 15.185 -0.647 18.568 1.00 25.00 C ATOM 0 H PHE B 55 14.039 -0.694 11.890 1.00 25.00 H new ATOM 0 HA PHE B 55 15.336 1.009 13.647 1.00 25.00 H new ATOM 0 HB2 PHE B 55 13.314 -0.326 14.164 1.00 25.00 H new ATOM 0 HB3 PHE B 55 14.213 -1.818 13.975 1.00 25.00 H new ATOM 0 HD1 PHE B 55 14.048 1.322 16.025 1.00 25.00 H new ATOM 0 HD2 PHE B 55 15.280 -2.822 15.887 1.00 25.00 H new ATOM 0 HE1 PHE B 55 14.450 1.376 18.482 1.00 25.00 H new ATOM 0 HE2 PHE B 55 15.837 -2.717 18.346 1.00 25.00 H new ATOM 0 HZ PHE B 55 15.406 -0.603 19.624 1.00 25.00 H new ATOM 700 N TYR B 56 17.562 0.077 14.322 1.00 25.00 N ATOM 701 CA TYR B 56 18.856 -0.452 14.699 1.00 25.00 C ATOM 702 C TYR B 56 19.308 0.110 16.034 1.00 25.00 C ATOM 703 O TYR B 56 19.375 1.312 16.218 1.00 25.00 O ATOM 704 CB TYR B 56 19.907 -0.092 13.605 1.00 25.00 C ATOM 705 CG TYR B 56 21.205 -0.775 13.821 1.00 25.00 C ATOM 706 CD1 TYR B 56 21.444 -2.050 13.227 1.00 25.00 C ATOM 707 CD2 TYR B 56 22.213 -0.178 14.567 1.00 25.00 C ATOM 708 CE1 TYR B 56 22.690 -2.685 13.361 1.00 25.00 C ATOM 709 CE2 TYR B 56 23.471 -0.819 14.715 1.00 25.00 C ATOM 710 CZ TYR B 56 23.689 -2.083 14.119 1.00 25.00 C ATOM 711 OH TYR B 56 24.921 -2.677 14.248 1.00 25.00 O ATOM 0 H TYR B 56 17.412 1.055 14.570 1.00 25.00 H new ATOM 0 HA TYR B 56 18.768 -1.535 14.791 1.00 25.00 H new ATOM 0 HB2 TYR B 56 19.515 -0.364 12.625 1.00 25.00 H new ATOM 0 HB3 TYR B 56 20.064 0.987 13.597 1.00 25.00 H new ATOM 0 HD1 TYR B 56 20.657 -2.533 12.667 1.00 25.00 H new ATOM 0 HD2 TYR B 56 22.039 0.779 15.037 1.00 25.00 H new ATOM 0 HE1 TYR B 56 22.871 -3.634 12.879 1.00 25.00 H new ATOM 0 HE2 TYR B 56 24.259 -0.343 15.281 1.00 25.00 H new ATOM 0 HH TYR B 56 25.496 -2.118 14.811 1.00 25.00 H new ATOM 721 N THR B 57 19.741 -0.811 16.906 1.00 25.00 N ATOM 722 CA THR B 57 20.383 -0.464 18.203 1.00 25.00 C ATOM 723 C THR B 57 21.599 -1.334 18.427 1.00 25.00 C ATOM 724 O THR B 57 21.713 -2.462 17.876 1.00 25.00 O ATOM 725 CB THR B 57 19.391 -0.659 19.389 1.00 25.00 C ATOM 726 OG1 THR B 57 18.606 -1.817 19.208 1.00 25.00 O ATOM 727 CG2 THR B 57 18.477 0.566 19.529 1.00 25.00 C ATOM 0 H THR B 57 19.662 -1.815 16.743 1.00 25.00 H new ATOM 0 HA THR B 57 20.679 0.584 18.161 1.00 25.00 H new ATOM 0 HB THR B 57 19.979 -0.776 20.299 1.00 25.00 H new ATOM 0 HG1 THR B 57 17.741 -1.568 18.820 1.00 25.00 H new ATOM 0 HG21 THR B 57 17.790 0.414 20.362 1.00 25.00 H new ATOM 0 HG22 THR B 57 19.083 1.453 19.716 1.00 25.00 H new ATOM 0 HG23 THR B 57 17.908 0.702 18.609 1.00 25.00 H new ATOM 735 N PRO B 58 22.612 -0.834 19.177 1.00 25.00 N ATOM 736 CA PRO B 58 23.782 -1.705 19.322 1.00 25.00 C ATOM 737 C PRO B 58 23.544 -2.877 20.305 1.00 25.00 C ATOM 738 O PRO B 58 22.686 -2.798 21.195 1.00 25.00 O ATOM 739 CB PRO B 58 24.844 -0.757 19.869 1.00 25.00 C ATOM 740 CG PRO B 58 24.042 0.205 20.725 1.00 25.00 C ATOM 741 CD PRO B 58 22.780 0.441 19.888 1.00 25.00 C ATOM 0 HA PRO B 58 24.051 -2.187 18.382 1.00 25.00 H new ATOM 0 HB2 PRO B 58 25.594 -1.288 20.455 1.00 25.00 H new ATOM 0 HB3 PRO B 58 25.372 -0.239 19.068 1.00 25.00 H new ATOM 0 HG2 PRO B 58 23.806 -0.222 21.699 1.00 25.00 H new ATOM 0 HG3 PRO B 58 24.585 1.132 20.907 1.00 25.00 H new ATOM 0 HD2 PRO B 58 21.918 0.671 20.514 1.00 25.00 H new ATOM 0 HD3 PRO B 58 22.904 1.275 19.197 1.00 25.00 H new ATOM 749 N LYS B 59 24.265 -3.948 20.094 1.00 25.00 N ATOM 750 CA LYS B 59 24.148 -5.153 20.923 1.00 25.00 C ATOM 751 C LYS B 59 25.475 -5.609 21.436 1.00 25.00 C ATOM 752 O LYS B 59 25.637 -6.073 22.564 1.00 25.00 O ATOM 753 CB LYS B 59 23.450 -6.285 20.169 1.00 25.00 C ATOM 754 CG LYS B 59 22.227 -6.826 20.822 1.00 25.00 C ATOM 755 CD LYS B 59 21.613 -7.843 19.952 1.00 25.00 C ATOM 756 CE LYS B 59 20.281 -8.325 20.504 1.00 25.00 C ATOM 757 NZ LYS B 59 19.575 -9.157 19.444 1.00 25.00 N ATOM 0 H LYS B 59 24.954 -4.024 19.346 1.00 25.00 H new ATOM 0 HA LYS B 59 23.534 -4.883 21.782 1.00 25.00 H new ATOM 0 HB2 LYS B 59 23.183 -5.926 19.175 1.00 25.00 H new ATOM 0 HB3 LYS B 59 24.160 -7.101 20.033 1.00 25.00 H new ATOM 0 HG2 LYS B 59 22.481 -7.264 21.787 1.00 25.00 H new ATOM 0 HG3 LYS B 59 21.518 -6.021 21.014 1.00 25.00 H new ATOM 0 HD2 LYS B 59 21.465 -7.428 18.955 1.00 25.00 H new ATOM 0 HD3 LYS B 59 22.291 -8.690 19.847 1.00 25.00 H new ATOM 0 HE2 LYS B 59 20.440 -8.919 21.404 1.00 25.00 H new ATOM 0 HE3 LYS B 59 19.662 -7.474 20.788 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 18.662 -9.490 19.815 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 19.413 -8.575 18.597 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 20.166 -9.975 19.194 1.00 25.00 H new ATOM 771 N THR B 60 26.477 -5.517 20.558 1.00 25.00 N ATOM 772 CA THR B 60 27.826 -5.917 20.838 1.00 25.00 C ATOM 773 C THR B 60 28.732 -4.682 20.747 1.00 25.00 C ATOM 774 O THR B 60 28.946 -4.097 19.723 1.00 25.00 O ATOM 775 CB THR B 60 28.274 -7.030 19.848 1.00 25.00 C ATOM 776 OG1 THR B 60 28.059 -6.649 18.497 1.00 25.00 O ATOM 777 CG2 THR B 60 27.434 -8.282 20.101 1.00 25.00 C ATOM 778 OXT THR B 60 29.199 -4.251 21.885 1.00 25.00 O ATOM 0 H THR B 60 26.352 -5.151 19.614 1.00 25.00 H new ATOM 0 HA THR B 60 27.896 -6.332 21.843 1.00 25.00 H new ATOM 0 HB THR B 60 29.337 -7.207 20.009 1.00 25.00 H new ATOM 0 HG1 THR B 60 28.321 -5.713 18.376 1.00 25.00 H new ATOM 0 HG21 THR B 60 27.739 -9.070 19.412 1.00 25.00 H new ATOM 0 HG22 THR B 60 27.583 -8.619 21.127 1.00 25.00 H new ATOM 0 HG23 THR B 60 26.380 -8.051 19.944 1.00 25.00 H new TER 787 THR B 60