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 12 SER OG : rot -88:sc= 0.953 USER MOD Set 1.2: B 33 ASN : amide:sc= 0.829 K(o=1.8,f=-1.4) USER MOD Set 2.1: A 5 GLN : amide:sc= 0.178 X(o=0.36,f=-0.059) USER MOD Set 2.2: A 19 TYR OH : rot -1:sc= 0.185 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -77:sc= 0.721 USER MOD Single : A 9 SER OG : rot 180:sc= 0.215 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.283 K(o=-0.28,f=-3.9!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 21 ASN : amide:sc=-0.00462 X(o=-0.0046,f=0) USER MOD Single : B 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 35 HIS : no HE2:sc= 0.518 K(o=0.52,f=-4.5!) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc=-0.00226 X(o=-0.0023,f=-0.0023) USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= -0.0927 X(o=-0.093,f=-0.32) 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= 0.103 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.665 1.184 0.120 1.00 25.00 N ATOM 2 CA GLY A 1 2.763 0.759 -1.289 1.00 25.00 C ATOM 3 C GLY A 1 3.506 -0.549 -1.477 1.00 25.00 C ATOM 4 O GLY A 1 2.999 -1.561 -1.957 1.00 25.00 O ATOM 0 H1 GLY A 1 2.146 2.084 0.176 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.160 0.458 0.667 1.00 25.00 H new ATOM 0 H3 GLY A 1 3.620 1.310 0.512 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.759 0.659 -1.701 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.266 1.539 -1.861 1.00 25.00 H new ATOM 9 N ILE A 2 4.775 -0.495 -0.992 1.00 25.00 N ATOM 10 CA ILE A 2 5.766 -1.561 -1.075 1.00 25.00 C ATOM 11 C ILE A 2 5.220 -2.882 -0.536 1.00 25.00 C ATOM 12 O ILE A 2 5.368 -3.919 -1.165 1.00 25.00 O ATOM 13 CB ILE A 2 7.171 -1.188 -0.351 1.00 25.00 C ATOM 14 CG1 ILE A 2 8.118 -2.418 -0.232 1.00 25.00 C ATOM 15 CG2 ILE A 2 6.915 -0.608 1.064 1.00 25.00 C ATOM 16 CD1 ILE A 2 9.480 -2.140 0.518 1.00 25.00 C ATOM 0 H ILE A 2 5.134 0.333 -0.516 1.00 25.00 H new ATOM 0 HA ILE A 2 5.980 -1.680 -2.137 1.00 25.00 H new ATOM 0 HB ILE A 2 7.659 -0.442 -0.979 1.00 25.00 H new ATOM 0 HG12 ILE A 2 7.589 -3.216 0.290 1.00 25.00 H new ATOM 0 HG13 ILE A 2 8.340 -2.785 -1.234 1.00 25.00 H new ATOM 0 HG21 ILE A 2 7.867 -0.364 1.535 1.00 25.00 H new ATOM 0 HG22 ILE A 2 6.308 0.294 0.983 1.00 25.00 H new ATOM 0 HG23 ILE A 2 6.389 -1.346 1.670 1.00 25.00 H new ATOM 0 HD11 ILE A 2 10.071 -3.055 0.550 1.00 25.00 H new ATOM 0 HD12 ILE A 2 10.036 -1.367 -0.013 1.00 25.00 H new ATOM 0 HD13 ILE A 2 9.274 -1.805 1.535 1.00 25.00 H new ATOM 28 N VAL A 3 4.567 -2.831 0.624 1.00 25.00 N ATOM 29 CA VAL A 3 4.009 -4.052 1.218 1.00 25.00 C ATOM 30 C VAL A 3 2.918 -4.704 0.372 1.00 25.00 C ATOM 31 O VAL A 3 2.948 -5.906 0.148 1.00 25.00 O ATOM 32 CB VAL A 3 3.472 -3.742 2.656 1.00 25.00 C ATOM 33 CG1 VAL A 3 2.658 -2.416 2.702 1.00 25.00 C ATOM 34 CG2 VAL A 3 2.628 -4.937 3.229 1.00 25.00 C ATOM 0 H VAL A 3 4.412 -1.980 1.164 1.00 25.00 H new ATOM 0 HA VAL A 3 4.823 -4.776 1.267 1.00 25.00 H new ATOM 0 HB VAL A 3 4.346 -3.612 3.294 1.00 25.00 H new ATOM 0 HG11 VAL A 3 2.305 -2.241 3.718 1.00 25.00 H new ATOM 0 HG12 VAL A 3 3.294 -1.587 2.391 1.00 25.00 H new ATOM 0 HG13 VAL A 3 1.804 -2.490 2.029 1.00 25.00 H new ATOM 0 HG21 VAL A 3 2.272 -4.685 4.228 1.00 25.00 H new ATOM 0 HG22 VAL A 3 1.775 -5.126 2.577 1.00 25.00 H new ATOM 0 HG23 VAL A 3 3.250 -5.830 3.280 1.00 25.00 H new ATOM 44 N GLU A 4 1.964 -3.939 -0.162 1.00 25.00 N ATOM 45 CA GLU A 4 0.896 -4.527 -0.984 1.00 25.00 C ATOM 46 C GLU A 4 1.404 -4.982 -2.332 1.00 25.00 C ATOM 47 O GLU A 4 0.998 -6.019 -2.841 1.00 25.00 O ATOM 48 CB GLU A 4 -0.312 -3.586 -1.165 1.00 25.00 C ATOM 49 CG GLU A 4 -0.014 -2.270 -1.926 1.00 25.00 C ATOM 50 CD GLU A 4 -1.206 -1.391 -2.076 1.00 25.00 C ATOM 51 OE1 GLU A 4 -2.327 -1.674 -1.737 1.00 25.00 O ATOM 52 OE2 GLU A 4 -0.896 -0.248 -2.541 1.00 25.00 O ATOM 0 H GLU A 4 1.905 -2.927 -0.045 1.00 25.00 H new ATOM 0 HA GLU A 4 0.552 -5.400 -0.429 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.096 -4.125 -1.697 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.708 -3.336 -0.181 1.00 25.00 H new ATOM 0 HG2 GLU A 4 0.768 -1.723 -1.399 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.377 -2.511 -2.914 1.00 25.00 H new ATOM 60 N GLN A 5 2.421 -4.288 -2.830 1.00 25.00 N ATOM 61 CA GLN A 5 3.103 -4.722 -4.052 1.00 25.00 C ATOM 62 C GLN A 5 3.760 -6.062 -3.930 1.00 25.00 C ATOM 63 O GLN A 5 3.527 -6.982 -4.694 1.00 25.00 O ATOM 64 CB GLN A 5 4.167 -3.701 -4.468 1.00 25.00 C ATOM 65 CG GLN A 5 3.612 -2.390 -5.025 1.00 25.00 C ATOM 66 CD GLN A 5 4.678 -1.343 -5.156 1.00 25.00 C ATOM 67 OE1 GLN A 5 5.786 -1.605 -5.627 1.00 25.00 O ATOM 68 NE2 GLN A 5 4.329 -0.111 -4.785 1.00 25.00 N ATOM 0 H GLN A 5 2.791 -3.432 -2.416 1.00 25.00 H new ATOM 0 HA GLN A 5 2.321 -4.801 -4.807 1.00 25.00 H new ATOM 0 HB2 GLN A 5 4.793 -3.477 -3.604 1.00 25.00 H new ATOM 0 HB3 GLN A 5 4.812 -4.155 -5.220 1.00 25.00 H new ATOM 0 HG2 GLN A 5 3.160 -2.572 -6.000 1.00 25.00 H new ATOM 0 HG3 GLN A 5 2.821 -2.023 -4.371 1.00 25.00 H new ATOM 0 HE21 GLN A 5 3.401 0.062 -4.399 1.00 25.00 H new ATOM 0 HE22 GLN A 5 4.990 0.659 -4.887 1.00 25.00 H new ATOM 77 N CYS A 6 4.611 -6.238 -2.908 1.00 25.00 N ATOM 78 CA CYS A 6 5.322 -7.517 -2.760 1.00 25.00 C ATOM 79 C CYS A 6 4.393 -8.612 -2.292 1.00 25.00 C ATOM 80 O CYS A 6 4.668 -9.814 -2.525 1.00 25.00 O ATOM 81 CB CYS A 6 6.566 -7.384 -1.858 1.00 25.00 C ATOM 82 SG CYS A 6 7.803 -6.190 -2.526 1.00 25.00 S ATOM 0 H CYS A 6 4.819 -5.539 -2.195 1.00 25.00 H new ATOM 0 HA CYS A 6 5.685 -7.804 -3.747 1.00 25.00 H new ATOM 0 HB2 CYS A 6 6.256 -7.062 -0.864 1.00 25.00 H new ATOM 0 HB3 CYS A 6 7.035 -8.362 -1.745 1.00 25.00 H new ATOM 87 N CYS A 7 3.298 -8.225 -1.654 1.00 25.00 N ATOM 88 CA CYS A 7 2.299 -9.188 -1.232 1.00 25.00 C ATOM 89 C CYS A 7 1.585 -9.901 -2.384 1.00 25.00 C ATOM 90 O CYS A 7 0.972 -10.960 -2.213 1.00 25.00 O ATOM 91 CB CYS A 7 1.289 -8.547 -0.332 1.00 25.00 C ATOM 92 SG CYS A 7 0.446 -9.757 0.752 1.00 25.00 S ATOM 0 H CYS A 7 3.082 -7.256 -1.420 1.00 25.00 H new ATOM 0 HA CYS A 7 2.853 -9.955 -0.691 1.00 25.00 H new ATOM 0 HB2 CYS A 7 1.782 -7.794 0.284 1.00 25.00 H new ATOM 0 HB3 CYS A 7 0.546 -8.027 -0.937 1.00 25.00 H new ATOM 97 N THR A 8 1.717 -9.314 -3.612 1.00 25.00 N ATOM 98 CA THR A 8 1.048 -9.765 -4.843 1.00 25.00 C ATOM 99 C THR A 8 2.034 -9.954 -6.024 1.00 25.00 C ATOM 100 O THR A 8 1.660 -10.248 -7.149 1.00 25.00 O ATOM 101 CB THR A 8 -0.008 -8.748 -5.279 1.00 25.00 C ATOM 102 OG1 THR A 8 0.584 -7.420 -5.341 1.00 25.00 O ATOM 103 CG2 THR A 8 -1.149 -8.689 -4.318 1.00 25.00 C ATOM 0 H THR A 8 2.308 -8.496 -3.762 1.00 25.00 H new ATOM 0 HA THR A 8 0.595 -10.727 -4.604 1.00 25.00 H new ATOM 0 HB THR A 8 -0.375 -9.064 -6.255 1.00 25.00 H new ATOM 0 HG1 THR A 8 0.683 -7.063 -4.434 1.00 25.00 H new ATOM 0 HG21 THR A 8 -1.878 -7.955 -4.663 1.00 25.00 H new ATOM 0 HG22 THR A 8 -1.623 -9.669 -4.255 1.00 25.00 H new ATOM 0 HG23 THR A 8 -0.781 -8.400 -3.334 1.00 25.00 H new ATOM 111 N SER A 9 3.337 -9.832 -5.729 1.00 25.00 N ATOM 112 CA SER A 9 4.418 -10.065 -6.709 1.00 25.00 C ATOM 113 C SER A 9 5.614 -10.883 -6.092 1.00 25.00 C ATOM 114 O SER A 9 5.536 -11.376 -4.964 1.00 25.00 O ATOM 115 CB SER A 9 4.959 -8.775 -7.282 1.00 25.00 C ATOM 116 OG SER A 9 5.702 -9.056 -8.448 1.00 25.00 O ATOM 0 H SER A 9 3.675 -9.569 -4.803 1.00 25.00 H new ATOM 0 HA SER A 9 3.961 -10.647 -7.509 1.00 25.00 H new ATOM 0 HB2 SER A 9 4.139 -8.095 -7.515 1.00 25.00 H new ATOM 0 HB3 SER A 9 5.590 -8.274 -6.547 1.00 25.00 H new ATOM 0 HG SER A 9 6.052 -8.221 -8.822 1.00 25.00 H new ATOM 122 N ILE A 10 6.694 -11.029 -6.834 1.00 25.00 N ATOM 123 CA ILE A 10 7.877 -11.769 -6.374 1.00 25.00 C ATOM 124 C ILE A 10 8.756 -10.829 -5.510 1.00 25.00 C ATOM 125 O ILE A 10 9.285 -11.267 -4.511 1.00 25.00 O ATOM 126 CB ILE A 10 8.727 -12.304 -7.627 1.00 25.00 C ATOM 127 CG1 ILE A 10 7.849 -13.145 -8.580 1.00 25.00 C ATOM 128 CG2 ILE A 10 10.026 -13.034 -7.158 1.00 25.00 C ATOM 129 CD1 ILE A 10 7.182 -14.444 -7.933 1.00 25.00 C ATOM 0 H ILE A 10 6.787 -10.643 -7.773 1.00 25.00 H new ATOM 0 HA ILE A 10 7.556 -12.626 -5.783 1.00 25.00 H new ATOM 0 HB ILE A 10 9.063 -11.448 -8.212 1.00 25.00 H new ATOM 0 HG12 ILE A 10 7.056 -12.508 -8.973 1.00 25.00 H new ATOM 0 HG13 ILE A 10 8.459 -13.455 -9.429 1.00 25.00 H new ATOM 0 HG21 ILE A 10 10.581 -13.385 -8.028 1.00 25.00 H new ATOM 0 HG22 ILE A 10 10.646 -12.343 -6.587 1.00 25.00 H new ATOM 0 HG23 ILE A 10 9.759 -13.884 -6.531 1.00 25.00 H new ATOM 0 HD11 ILE A 10 6.588 -14.961 -8.686 1.00 25.00 H new ATOM 0 HD12 ILE A 10 7.963 -15.110 -7.567 1.00 25.00 H new ATOM 0 HD13 ILE A 10 6.539 -14.148 -7.104 1.00 25.00 H new ATOM 141 N CYS A 11 8.999 -9.633 -6.030 1.00 25.00 N ATOM 142 CA CYS A 11 9.983 -8.719 -5.508 1.00 25.00 C ATOM 143 C CYS A 11 11.325 -9.437 -5.324 1.00 25.00 C ATOM 144 O CYS A 11 11.795 -9.623 -4.192 1.00 25.00 O ATOM 145 CB CYS A 11 9.515 -8.001 -4.210 1.00 25.00 C ATOM 146 SG CYS A 11 8.145 -6.835 -4.418 1.00 25.00 S ATOM 0 H CYS A 11 8.502 -9.272 -6.844 1.00 25.00 H new ATOM 0 HA CYS A 11 10.117 -7.924 -6.242 1.00 25.00 H new ATOM 0 HB2 CYS A 11 9.219 -8.757 -3.483 1.00 25.00 H new ATOM 0 HB3 CYS A 11 10.364 -7.466 -3.785 1.00 25.00 H new ATOM 151 N SER A 12 11.947 -9.774 -6.416 1.00 25.00 N ATOM 152 CA SER A 12 13.313 -10.295 -6.376 1.00 25.00 C ATOM 153 C SER A 12 14.288 -9.191 -5.965 1.00 25.00 C ATOM 154 O SER A 12 13.967 -7.993 -6.057 1.00 25.00 O ATOM 155 CB SER A 12 13.737 -10.789 -7.705 1.00 25.00 C ATOM 156 OG SER A 12 12.897 -11.825 -8.129 1.00 25.00 O ATOM 0 H SER A 12 11.545 -9.704 -7.351 1.00 25.00 H new ATOM 0 HA SER A 12 13.324 -11.112 -5.655 1.00 25.00 H new ATOM 0 HB2 SER A 12 13.713 -9.974 -8.428 1.00 25.00 H new ATOM 0 HB3 SER A 12 14.767 -11.143 -7.657 1.00 25.00 H new ATOM 0 HG SER A 12 13.243 -12.681 -7.802 1.00 25.00 H new ATOM 162 N LEU A 13 15.516 -9.605 -5.659 1.00 25.00 N ATOM 163 CA LEU A 13 16.583 -8.739 -5.213 1.00 25.00 C ATOM 164 C LEU A 13 16.699 -7.446 -5.975 1.00 25.00 C ATOM 165 O LEU A 13 16.861 -6.394 -5.377 1.00 25.00 O ATOM 166 CB LEU A 13 17.866 -9.495 -5.308 1.00 25.00 C ATOM 167 CG LEU A 13 19.025 -8.873 -4.530 1.00 25.00 C ATOM 168 CD1 LEU A 13 18.759 -8.846 -3.047 1.00 25.00 C ATOM 169 CD2 LEU A 13 20.295 -9.700 -4.847 1.00 25.00 C ATOM 0 H LEU A 13 15.795 -10.584 -5.720 1.00 25.00 H new ATOM 0 HA LEU A 13 16.352 -8.451 -4.188 1.00 25.00 H new ATOM 0 HB2 LEU A 13 17.703 -10.510 -4.944 1.00 25.00 H new ATOM 0 HB3 LEU A 13 18.150 -9.574 -6.357 1.00 25.00 H new ATOM 0 HG LEU A 13 19.154 -7.834 -4.834 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.608 -8.396 -2.533 1.00 25.00 H new ATOM 0 HD12 LEU A 13 17.862 -8.259 -2.849 1.00 25.00 H new ATOM 0 HD13 LEU A 13 18.614 -9.864 -2.685 1.00 25.00 H new ATOM 0 HD21 LEU A 13 21.145 -9.283 -4.307 1.00 25.00 H new ATOM 0 HD22 LEU A 13 20.142 -10.734 -4.540 1.00 25.00 H new ATOM 0 HD23 LEU A 13 20.494 -9.666 -5.918 1.00 25.00 H new ATOM 181 N TYR A 14 16.610 -7.482 -7.312 1.00 25.00 N ATOM 182 CA TYR A 14 16.707 -6.239 -8.150 1.00 25.00 C ATOM 183 C TYR A 14 15.659 -5.188 -7.821 1.00 25.00 C ATOM 184 O TYR A 14 15.941 -4.015 -7.810 1.00 25.00 O ATOM 185 CB TYR A 14 16.614 -6.699 -9.593 1.00 25.00 C ATOM 186 CG TYR A 14 16.642 -5.527 -10.573 1.00 25.00 C ATOM 187 CD1 TYR A 14 17.861 -4.891 -10.905 1.00 25.00 C ATOM 188 CD2 TYR A 14 15.446 -5.081 -11.132 1.00 25.00 C ATOM 189 CE1 TYR A 14 17.842 -3.828 -11.848 1.00 25.00 C ATOM 190 CE2 TYR A 14 15.429 -3.947 -12.026 1.00 25.00 C ATOM 191 CZ TYR A 14 16.639 -3.341 -12.372 1.00 25.00 C ATOM 192 OH TYR A 14 16.611 -2.316 -13.268 1.00 25.00 O ATOM 0 H TYR A 14 16.473 -8.339 -7.848 1.00 25.00 H new ATOM 0 HA TYR A 14 17.650 -5.731 -7.946 1.00 25.00 H new ATOM 0 HB2 TYR A 14 17.442 -7.374 -9.812 1.00 25.00 H new ATOM 0 HB3 TYR A 14 15.694 -7.267 -9.734 1.00 25.00 H new ATOM 0 HD1 TYR A 14 18.788 -5.207 -10.451 1.00 25.00 H new ATOM 0 HD2 TYR A 14 14.523 -5.588 -10.894 1.00 25.00 H new ATOM 0 HE1 TYR A 14 18.775 -3.387 -12.167 1.00 25.00 H new ATOM 0 HE2 TYR A 14 14.496 -3.573 -12.421 1.00 25.00 H new ATOM 0 HH TYR A 14 15.683 -2.123 -13.515 1.00 25.00 H new ATOM 202 N GLN A 15 14.462 -5.646 -7.545 1.00 25.00 N ATOM 203 CA GLN A 15 13.372 -4.722 -7.160 1.00 25.00 C ATOM 204 C GLN A 15 13.490 -4.359 -5.673 1.00 25.00 C ATOM 205 O GLN A 15 13.257 -3.216 -5.327 1.00 25.00 O ATOM 206 CB GLN A 15 11.987 -5.368 -7.386 1.00 25.00 C ATOM 207 CG GLN A 15 10.804 -4.442 -7.028 1.00 25.00 C ATOM 208 CD GLN A 15 9.512 -4.942 -7.626 1.00 25.00 C ATOM 209 OE1 GLN A 15 9.123 -6.093 -7.418 1.00 25.00 O ATOM 210 NE2 GLN A 15 8.909 -4.176 -8.471 1.00 25.00 N ATOM 0 H GLN A 15 14.200 -6.631 -7.573 1.00 25.00 H new ATOM 0 HA GLN A 15 13.464 -3.831 -7.781 1.00 25.00 H new ATOM 0 HB2 GLN A 15 11.901 -5.665 -8.431 1.00 25.00 H new ATOM 0 HB3 GLN A 15 11.918 -6.278 -6.789 1.00 25.00 H new ATOM 0 HG2 GLN A 15 10.705 -4.379 -5.944 1.00 25.00 H new ATOM 0 HG3 GLN A 15 11.007 -3.434 -7.389 1.00 25.00 H new ATOM 0 HE21 GLN A 15 9.246 -3.226 -8.629 1.00 25.00 H new ATOM 0 HE22 GLN A 15 8.095 -4.520 -8.981 1.00 25.00 H new ATOM 219 N LEU A 16 13.885 -5.314 -4.868 1.00 25.00 N ATOM 220 CA LEU A 16 14.092 -5.084 -3.452 1.00 25.00 C ATOM 221 C LEU A 16 15.108 -3.998 -3.155 1.00 25.00 C ATOM 222 O LEU A 16 14.937 -3.126 -2.266 1.00 25.00 O ATOM 223 CB LEU A 16 14.496 -6.394 -2.762 1.00 25.00 C ATOM 224 CG LEU A 16 14.470 -6.432 -1.213 1.00 25.00 C ATOM 225 CD1 LEU A 16 13.043 -6.290 -0.677 1.00 25.00 C ATOM 226 CD2 LEU A 16 15.062 -7.728 -0.742 1.00 25.00 C ATOM 0 H LEU A 16 14.073 -6.270 -5.170 1.00 25.00 H new ATOM 0 HA LEU A 16 13.142 -4.728 -3.054 1.00 25.00 H new ATOM 0 HB2 LEU A 16 13.838 -7.182 -3.128 1.00 25.00 H new ATOM 0 HB3 LEU A 16 15.506 -6.646 -3.086 1.00 25.00 H new ATOM 0 HG LEU A 16 15.055 -5.593 -0.836 1.00 25.00 H new ATOM 0 HD11 LEU A 16 13.059 -6.320 0.412 1.00 25.00 H new ATOM 0 HD12 LEU A 16 12.623 -5.340 -1.007 1.00 25.00 H new ATOM 0 HD13 LEU A 16 12.430 -7.108 -1.054 1.00 25.00 H new ATOM 0 HD21 LEU A 16 15.046 -7.760 0.347 1.00 25.00 H new ATOM 0 HD22 LEU A 16 14.479 -8.560 -1.138 1.00 25.00 H new ATOM 0 HD23 LEU A 16 16.091 -7.807 -1.093 1.00 25.00 H new ATOM 238 N GLU A 17 16.168 -3.996 -3.960 1.00 25.00 N ATOM 239 CA GLU A 17 17.198 -3.009 -3.857 1.00 25.00 C ATOM 240 C GLU A 17 16.681 -1.579 -4.231 1.00 25.00 C ATOM 241 O GLU A 17 17.308 -0.587 -3.841 1.00 25.00 O ATOM 242 CB GLU A 17 18.360 -3.373 -4.769 1.00 25.00 C ATOM 243 CG GLU A 17 19.257 -4.424 -4.173 1.00 25.00 C ATOM 244 CD GLU A 17 20.454 -3.814 -3.463 1.00 25.00 C ATOM 245 OE1 GLU A 17 21.584 -4.006 -3.822 1.00 25.00 O ATOM 246 OE2 GLU A 17 20.175 -3.075 -2.462 1.00 25.00 O ATOM 0 H GLU A 17 16.321 -4.685 -4.696 1.00 25.00 H new ATOM 0 HA GLU A 17 17.525 -2.991 -2.817 1.00 25.00 H new ATOM 0 HB2 GLU A 17 17.971 -3.731 -5.722 1.00 25.00 H new ATOM 0 HB3 GLU A 17 18.946 -2.478 -4.980 1.00 25.00 H new ATOM 0 HG2 GLU A 17 18.687 -5.030 -3.468 1.00 25.00 H new ATOM 0 HG3 GLU A 17 19.605 -5.093 -4.960 1.00 25.00 H new ATOM 254 N ASN A 18 15.580 -1.499 -4.976 1.00 25.00 N ATOM 255 CA ASN A 18 15.112 -0.200 -5.406 1.00 25.00 C ATOM 256 C ASN A 18 14.527 0.496 -4.150 1.00 25.00 C ATOM 257 O ASN A 18 14.446 1.710 -4.058 1.00 25.00 O ATOM 258 CB ASN A 18 14.112 -0.373 -6.573 1.00 25.00 C ATOM 259 CG ASN A 18 13.978 0.846 -7.380 1.00 25.00 C ATOM 260 OD1 ASN A 18 13.737 1.935 -6.898 1.00 25.00 O ATOM 261 ND2 ASN A 18 14.047 0.682 -8.667 1.00 25.00 N ATOM 0 H ASN A 18 15.018 -2.293 -5.282 1.00 25.00 H new ATOM 0 HA ASN A 18 15.904 0.434 -5.805 1.00 25.00 H new ATOM 0 HB2 ASN A 18 14.441 -1.194 -7.211 1.00 25.00 H new ATOM 0 HB3 ASN A 18 13.136 -0.650 -6.174 1.00 25.00 H new ATOM 0 HD21 ASN A 18 13.898 1.475 -9.291 1.00 25.00 H new ATOM 0 HD22 ASN A 18 14.250 -0.240 -9.053 1.00 25.00 H new ATOM 268 N TYR A 19 14.136 -0.276 -3.140 1.00 25.00 N ATOM 269 CA TYR A 19 13.585 0.250 -1.896 1.00 25.00 C ATOM 270 C TYR A 19 14.681 0.695 -0.948 1.00 25.00 C ATOM 271 O TYR A 19 14.377 1.286 0.069 1.00 25.00 O ATOM 272 CB TYR A 19 12.740 -0.813 -1.236 1.00 25.00 C ATOM 273 CG TYR A 19 11.576 -1.296 -2.135 1.00 25.00 C ATOM 274 CD1 TYR A 19 10.576 -0.390 -2.531 1.00 25.00 C ATOM 275 CD2 TYR A 19 11.474 -2.620 -2.551 1.00 25.00 C ATOM 276 CE1 TYR A 19 9.432 -0.824 -3.373 1.00 25.00 C ATOM 277 CE2 TYR A 19 10.371 -3.057 -3.336 1.00 25.00 C ATOM 278 CZ TYR A 19 9.373 -2.156 -3.745 1.00 25.00 C ATOM 279 OH TYR A 19 8.324 -2.653 -4.457 1.00 25.00 O ATOM 0 H TYR A 19 14.194 -1.294 -3.163 1.00 25.00 H new ATOM 0 HA TYR A 19 12.974 1.121 -2.133 1.00 25.00 H new ATOM 0 HB2 TYR A 19 13.371 -1.664 -0.977 1.00 25.00 H new ATOM 0 HB3 TYR A 19 12.334 -0.421 -0.303 1.00 25.00 H new ATOM 0 HD1 TYR A 19 10.641 0.641 -2.217 1.00 25.00 H new ATOM 0 HD2 TYR A 19 12.243 -3.326 -2.274 1.00 25.00 H new ATOM 0 HE1 TYR A 19 8.671 -0.124 -3.685 1.00 25.00 H new ATOM 0 HE2 TYR A 19 10.300 -4.096 -3.622 1.00 25.00 H new ATOM 0 HH TYR A 19 7.675 -1.938 -4.626 1.00 25.00 H new ATOM 289 N CYS A 20 15.909 0.369 -1.277 1.00 25.00 N ATOM 290 CA CYS A 20 17.038 0.757 -0.444 1.00 25.00 C ATOM 291 C CYS A 20 17.578 2.075 -1.006 1.00 25.00 C ATOM 292 O CYS A 20 18.801 2.237 -1.223 1.00 25.00 O ATOM 293 CB CYS A 20 18.073 -0.376 -0.425 1.00 25.00 C ATOM 294 SG CYS A 20 19.367 -0.041 0.780 1.00 25.00 S ATOM 0 H CYS A 20 16.158 -0.162 -2.111 1.00 25.00 H new ATOM 0 HA CYS A 20 16.756 0.919 0.596 1.00 25.00 H new ATOM 0 HB2 CYS A 20 17.582 -1.319 -0.185 1.00 25.00 H new ATOM 0 HB3 CYS A 20 18.513 -0.489 -1.416 1.00 25.00 H new ATOM 299 N ASN A 21 16.657 3.070 -1.207 1.00 25.00 N ATOM 300 CA ASN A 21 16.947 4.372 -1.748 1.00 25.00 C ATOM 301 C ASN A 21 16.559 5.476 -0.720 1.00 25.00 C ATOM 302 O ASN A 21 17.292 6.339 -0.323 1.00 25.00 O ATOM 303 CB ASN A 21 16.228 4.612 -3.098 1.00 25.00 C ATOM 304 CG ASN A 21 16.522 5.982 -3.603 1.00 25.00 C ATOM 305 OD1 ASN A 21 17.612 6.355 -3.919 1.00 25.00 O ATOM 306 ND2 ASN A 21 15.485 6.779 -3.658 1.00 25.00 N ATOM 307 OXT ASN A 21 15.378 5.360 -0.192 1.00 25.00 O ATOM 0 H ASN A 21 15.670 2.949 -0.978 1.00 25.00 H new ATOM 0 HA ASN A 21 18.019 4.420 -1.940 1.00 25.00 H new ATOM 0 HB2 ASN A 21 16.553 3.870 -3.828 1.00 25.00 H new ATOM 0 HB3 ASN A 21 15.153 4.486 -2.973 1.00 25.00 H new ATOM 0 HD21 ASN A 21 15.598 7.742 -3.976 1.00 25.00 H new ATOM 0 HD22 ASN A 21 14.564 6.437 -3.383 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 31 20.044 -15.421 -4.326 1.00 25.00 N ATOM 317 CA PHE B 31 18.801 -14.939 -3.673 1.00 25.00 C ATOM 318 C PHE B 31 17.622 -15.850 -3.899 1.00 25.00 C ATOM 319 O PHE B 31 17.463 -16.474 -4.920 1.00 25.00 O ATOM 320 CB PHE B 31 18.536 -13.547 -4.164 1.00 25.00 C ATOM 321 CG PHE B 31 17.387 -12.839 -3.487 1.00 25.00 C ATOM 322 CD1 PHE B 31 17.594 -12.153 -2.282 1.00 25.00 C ATOM 323 CD2 PHE B 31 16.109 -12.860 -4.035 1.00 25.00 C ATOM 324 CE1 PHE B 31 16.518 -11.550 -1.670 1.00 25.00 C ATOM 325 CE2 PHE B 31 15.065 -12.216 -3.408 1.00 25.00 C ATOM 326 CZ PHE B 31 15.285 -11.603 -2.220 1.00 25.00 C ATOM 0 HA PHE B 31 18.944 -14.938 -2.592 1.00 25.00 H new ATOM 0 HB2 PHE B 31 19.439 -12.952 -4.029 1.00 25.00 H new ATOM 0 HB3 PHE B 31 18.338 -13.587 -5.235 1.00 25.00 H new ATOM 0 HD1 PHE B 31 18.579 -12.099 -1.842 1.00 25.00 H new ATOM 0 HD2 PHE B 31 15.933 -13.386 -4.961 1.00 25.00 H new ATOM 0 HE1 PHE B 31 16.662 -11.027 -0.736 1.00 25.00 H new ATOM 0 HE2 PHE B 31 14.083 -12.200 -3.858 1.00 25.00 H new ATOM 0 HZ PHE B 31 14.456 -11.146 -1.701 1.00 25.00 H new ATOM 337 N VAL B 32 16.849 -16.054 -2.856 1.00 25.00 N ATOM 338 CA VAL B 32 15.704 -16.937 -2.875 1.00 25.00 C ATOM 339 C VAL B 32 14.491 -16.116 -3.320 1.00 25.00 C ATOM 340 O VAL B 32 14.118 -15.182 -2.620 1.00 25.00 O ATOM 341 CB VAL B 32 15.475 -17.510 -1.469 1.00 25.00 C ATOM 342 CG1 VAL B 32 14.196 -18.363 -1.381 1.00 25.00 C ATOM 343 CG2 VAL B 32 16.740 -18.385 -1.058 1.00 25.00 C ATOM 0 H VAL B 32 17.001 -15.603 -1.954 1.00 25.00 H new ATOM 0 HA VAL B 32 15.865 -17.769 -3.561 1.00 25.00 H new ATOM 0 HB VAL B 32 15.346 -16.674 -0.782 1.00 25.00 H new ATOM 0 HG11 VAL B 32 14.082 -18.744 -0.366 1.00 25.00 H new ATOM 0 HG12 VAL B 32 13.332 -17.751 -1.638 1.00 25.00 H new ATOM 0 HG13 VAL B 32 14.268 -19.199 -2.076 1.00 25.00 H new ATOM 0 HG21 VAL B 32 16.589 -18.797 -0.060 1.00 25.00 H new ATOM 0 HG22 VAL B 32 16.867 -19.199 -1.772 1.00 25.00 H new ATOM 0 HG23 VAL B 32 17.632 -17.758 -1.060 1.00 25.00 H new ATOM 353 N ASN B 33 13.939 -16.433 -4.479 1.00 25.00 N ATOM 354 CA ASN B 33 12.837 -15.643 -5.023 1.00 25.00 C ATOM 355 C ASN B 33 11.512 -16.112 -4.356 1.00 25.00 C ATOM 356 O ASN B 33 11.106 -17.266 -4.592 1.00 25.00 O ATOM 357 CB ASN B 33 12.740 -15.862 -6.537 1.00 25.00 C ATOM 358 CG ASN B 33 13.814 -15.178 -7.307 1.00 25.00 C ATOM 359 OD1 ASN B 33 14.174 -14.057 -6.969 1.00 25.00 O ATOM 360 ND2 ASN B 33 14.193 -15.748 -8.444 1.00 25.00 N ATOM 0 H ASN B 33 14.228 -17.221 -5.059 1.00 25.00 H new ATOM 0 HA ASN B 33 13.009 -14.586 -4.823 1.00 25.00 H new ATOM 0 HB2 ASN B 33 12.780 -16.931 -6.744 1.00 25.00 H new ATOM 0 HB3 ASN B 33 11.771 -15.506 -6.886 1.00 25.00 H new ATOM 0 HD21 ASN B 33 14.813 -15.249 -9.083 1.00 25.00 H new ATOM 0 HD22 ASN B 33 13.865 -16.685 -8.679 1.00 25.00 H new ATOM 367 N GLN B 34 10.906 -15.358 -3.447 1.00 25.00 N ATOM 368 CA GLN B 34 9.726 -15.823 -2.680 1.00 25.00 C ATOM 369 C GLN B 34 8.799 -14.674 -2.552 1.00 25.00 C ATOM 370 O GLN B 34 9.247 -13.534 -2.496 1.00 25.00 O ATOM 371 CB GLN B 34 10.199 -16.236 -1.251 1.00 25.00 C ATOM 372 CG GLN B 34 9.166 -16.969 -0.379 1.00 25.00 C ATOM 373 CD GLN B 34 9.807 -17.439 0.946 1.00 25.00 C ATOM 374 OE1 GLN B 34 9.953 -16.686 1.911 1.00 25.00 O ATOM 375 NE2 GLN B 34 10.169 -18.726 0.997 1.00 25.00 N ATOM 0 H GLN B 34 11.205 -14.412 -3.212 1.00 25.00 H new ATOM 0 HA GLN B 34 9.242 -16.665 -3.175 1.00 25.00 H new ATOM 0 HB2 GLN B 34 11.077 -16.874 -1.352 1.00 25.00 H new ATOM 0 HB3 GLN B 34 10.517 -15.337 -0.723 1.00 25.00 H new ATOM 0 HG2 GLN B 34 8.326 -16.308 -0.168 1.00 25.00 H new ATOM 0 HG3 GLN B 34 8.768 -17.827 -0.921 1.00 25.00 H new ATOM 0 HE21 GLN B 34 10.036 -19.326 0.183 1.00 25.00 H new ATOM 0 HE22 GLN B 34 10.578 -19.107 1.850 1.00 25.00 H new ATOM 384 N HIS B 35 7.518 -14.939 -2.457 1.00 25.00 N ATOM 385 CA HIS B 35 6.560 -13.876 -2.161 1.00 25.00 C ATOM 386 C HIS B 35 6.792 -13.397 -0.732 1.00 25.00 C ATOM 387 O HIS B 35 7.063 -14.173 0.192 1.00 25.00 O ATOM 388 CB HIS B 35 5.128 -14.400 -2.294 1.00 25.00 C ATOM 389 CG HIS B 35 4.742 -14.835 -3.690 1.00 25.00 C ATOM 390 ND1 HIS B 35 4.672 -13.944 -4.768 1.00 25.00 N ATOM 391 CD2 HIS B 35 4.429 -16.052 -4.227 1.00 25.00 C ATOM 392 CE1 HIS B 35 4.280 -14.594 -5.859 1.00 25.00 C ATOM 393 NE2 HIS B 35 4.132 -15.863 -5.561 1.00 25.00 N ATOM 0 H HIS B 35 7.109 -15.866 -2.577 1.00 25.00 H new ATOM 0 HA HIS B 35 6.699 -13.055 -2.865 1.00 25.00 H new ATOM 0 HB2 HIS B 35 5.000 -15.244 -1.617 1.00 25.00 H new ATOM 0 HB3 HIS B 35 4.439 -13.622 -1.967 1.00 25.00 H new ATOM 0 HD1 HIS B 35 4.889 -12.948 -4.723 1.00 25.00 H new ATOM 0 HD2 HIS B 35 4.416 -16.995 -3.700 1.00 25.00 H new ATOM 0 HE1 HIS B 35 4.111 -14.151 -6.829 1.00 25.00 H new ATOM 402 N LEU B 36 6.669 -12.078 -0.523 1.00 25.00 N ATOM 403 CA LEU B 36 6.948 -11.497 0.826 1.00 25.00 C ATOM 404 C LEU B 36 5.856 -10.474 1.192 1.00 25.00 C ATOM 405 O LEU B 36 5.581 -9.540 0.466 1.00 25.00 O ATOM 406 CB LEU B 36 8.316 -10.815 0.888 1.00 25.00 C ATOM 407 CG LEU B 36 9.565 -11.661 0.605 1.00 25.00 C ATOM 408 CD1 LEU B 36 10.834 -10.768 0.319 1.00 25.00 C ATOM 409 CD2 LEU B 36 9.878 -12.640 1.706 1.00 25.00 C ATOM 0 H LEU B 36 6.389 -11.402 -1.234 1.00 25.00 H new ATOM 0 HA LEU B 36 6.949 -12.321 1.539 1.00 25.00 H new ATOM 0 HB2 LEU B 36 8.307 -9.988 0.178 1.00 25.00 H new ATOM 0 HB3 LEU B 36 8.426 -10.381 1.882 1.00 25.00 H new ATOM 0 HG LEU B 36 9.323 -12.232 -0.292 1.00 25.00 H new ATOM 0 HD11 LEU B 36 11.694 -11.409 0.124 1.00 25.00 H new ATOM 0 HD12 LEU B 36 10.647 -10.138 -0.550 1.00 25.00 H new ATOM 0 HD13 LEU B 36 11.039 -10.139 1.185 1.00 25.00 H new ATOM 0 HD21 LEU B 36 10.772 -13.207 1.445 1.00 25.00 H new ATOM 0 HD22 LEU B 36 10.050 -12.099 2.636 1.00 25.00 H new ATOM 0 HD23 LEU B 36 9.039 -13.324 1.834 1.00 25.00 H new ATOM 421 N CYS B 37 5.247 -10.614 2.362 1.00 25.00 N ATOM 422 CA CYS B 37 4.084 -9.758 2.675 1.00 25.00 C ATOM 423 C CYS B 37 4.091 -9.308 4.126 1.00 25.00 C ATOM 424 O CYS B 37 3.868 -8.120 4.415 1.00 25.00 O ATOM 425 CB CYS B 37 2.826 -10.571 2.373 1.00 25.00 C ATOM 426 SG CYS B 37 1.322 -9.593 2.567 1.00 25.00 S ATOM 0 H CYS B 37 5.514 -11.278 3.089 1.00 25.00 H new ATOM 0 HA CYS B 37 4.119 -8.853 2.069 1.00 25.00 H new ATOM 0 HB2 CYS B 37 2.879 -10.955 1.354 1.00 25.00 H new ATOM 0 HB3 CYS B 37 2.785 -11.434 3.037 1.00 25.00 H new ATOM 431 N GLY B 38 4.395 -10.250 5.019 1.00 25.00 N ATOM 432 CA GLY B 38 4.474 -9.953 6.417 1.00 25.00 C ATOM 433 C GLY B 38 5.791 -9.308 6.768 1.00 25.00 C ATOM 434 O GLY B 38 6.482 -8.792 5.875 1.00 25.00 O ATOM 0 H GLY B 38 4.588 -11.223 4.781 1.00 25.00 H new ATOM 0 HA2 GLY B 38 3.656 -9.289 6.696 1.00 25.00 H new ATOM 0 HA3 GLY B 38 4.351 -10.870 6.993 1.00 25.00 H new ATOM 438 N SER B 39 6.231 -9.377 8.024 1.00 25.00 N ATOM 439 CA SER B 39 7.533 -8.806 8.391 1.00 25.00 C ATOM 440 C SER B 39 8.677 -9.501 7.587 1.00 25.00 C ATOM 441 O SER B 39 9.813 -9.004 7.553 1.00 25.00 O ATOM 442 CB SER B 39 7.840 -8.947 9.940 1.00 25.00 C ATOM 443 OG SER B 39 6.862 -8.314 10.749 1.00 25.00 O ATOM 0 H SER B 39 5.720 -9.812 8.792 1.00 25.00 H new ATOM 0 HA SER B 39 7.488 -7.745 8.147 1.00 25.00 H new ATOM 0 HB2 SER B 39 7.894 -10.004 10.201 1.00 25.00 H new ATOM 0 HB3 SER B 39 8.818 -8.515 10.154 1.00 25.00 H new ATOM 0 HG SER B 39 7.094 -8.430 11.694 1.00 25.00 H new ATOM 449 N HIS B 40 8.389 -10.598 6.928 1.00 25.00 N ATOM 450 CA HIS B 40 9.387 -11.316 6.129 1.00 25.00 C ATOM 451 C HIS B 40 10.022 -10.434 5.057 1.00 25.00 C ATOM 452 O HIS B 40 11.228 -10.574 4.753 1.00 25.00 O ATOM 453 CB HIS B 40 8.711 -12.504 5.462 1.00 25.00 C ATOM 454 CG HIS B 40 8.189 -13.551 6.390 1.00 25.00 C ATOM 455 ND1 HIS B 40 7.385 -14.589 5.938 1.00 25.00 N ATOM 456 CD2 HIS B 40 8.319 -13.772 7.732 1.00 25.00 C ATOM 457 CE1 HIS B 40 7.087 -15.377 6.985 1.00 25.00 C ATOM 458 NE2 HIS B 40 7.645 -14.896 8.054 1.00 25.00 N ATOM 0 H HIS B 40 7.464 -11.027 6.922 1.00 25.00 H new ATOM 0 HA HIS B 40 10.184 -11.638 6.799 1.00 25.00 H new ATOM 0 HB2 HIS B 40 7.884 -12.136 4.856 1.00 25.00 H new ATOM 0 HB3 HIS B 40 9.423 -12.970 4.781 1.00 25.00 H new ATOM 0 HD2 HIS B 40 8.870 -13.150 8.421 1.00 25.00 H new ATOM 0 HE1 HIS B 40 6.480 -16.269 6.944 1.00 25.00 H new ATOM 0 HE2 HIS B 40 7.584 -15.302 8.988 1.00 25.00 H new ATOM 467 N LEU B 41 9.228 -9.501 4.554 1.00 25.00 N ATOM 468 CA LEU B 41 9.695 -8.529 3.564 1.00 25.00 C ATOM 469 C LEU B 41 10.741 -7.561 4.124 1.00 25.00 C ATOM 470 O LEU B 41 11.843 -7.461 3.583 1.00 25.00 O ATOM 471 CB LEU B 41 8.467 -7.774 3.079 1.00 25.00 C ATOM 472 CG LEU B 41 8.711 -6.664 2.031 1.00 25.00 C ATOM 473 CD1 LEU B 41 9.290 -7.193 0.727 1.00 25.00 C ATOM 474 CD2 LEU B 41 7.341 -5.998 1.723 1.00 25.00 C ATOM 0 H LEU B 41 8.248 -9.392 4.815 1.00 25.00 H new ATOM 0 HA LEU B 41 10.195 -9.053 2.749 1.00 25.00 H new ATOM 0 HB2 LEU B 41 7.768 -8.495 2.656 1.00 25.00 H new ATOM 0 HB3 LEU B 41 7.978 -7.326 3.944 1.00 25.00 H new ATOM 0 HG LEU B 41 9.436 -5.963 2.446 1.00 25.00 H new ATOM 0 HD11 LEU B 41 9.438 -6.366 0.033 1.00 25.00 H new ATOM 0 HD12 LEU B 41 10.246 -7.678 0.924 1.00 25.00 H new ATOM 0 HD13 LEU B 41 8.601 -7.915 0.289 1.00 25.00 H new ATOM 0 HD21 LEU B 41 7.478 -5.208 0.985 1.00 25.00 H new ATOM 0 HD22 LEU B 41 6.653 -6.746 1.330 1.00 25.00 H new ATOM 0 HD23 LEU B 41 6.930 -5.572 2.638 1.00 25.00 H new ATOM 486 N VAL B 42 10.427 -6.827 5.186 1.00 25.00 N ATOM 487 CA VAL B 42 11.420 -5.852 5.788 1.00 25.00 C ATOM 488 C VAL B 42 12.619 -6.558 6.363 1.00 25.00 C ATOM 489 O VAL B 42 13.694 -6.017 6.364 1.00 25.00 O ATOM 490 CB VAL B 42 10.757 -4.969 6.889 1.00 25.00 C ATOM 491 CG1 VAL B 42 9.517 -4.239 6.336 1.00 25.00 C ATOM 492 CG2 VAL B 42 10.332 -5.813 8.149 1.00 25.00 C ATOM 0 H VAL B 42 9.525 -6.862 5.661 1.00 25.00 H new ATOM 0 HA VAL B 42 11.754 -5.209 4.974 1.00 25.00 H new ATOM 0 HB VAL B 42 11.508 -4.241 7.196 1.00 25.00 H new ATOM 0 HG11 VAL B 42 9.072 -3.630 7.123 1.00 25.00 H new ATOM 0 HG12 VAL B 42 9.812 -3.599 5.505 1.00 25.00 H new ATOM 0 HG13 VAL B 42 8.788 -4.971 5.989 1.00 25.00 H new ATOM 0 HG21 VAL B 42 9.875 -5.156 8.889 1.00 25.00 H new ATOM 0 HG22 VAL B 42 9.615 -6.577 7.850 1.00 25.00 H new ATOM 0 HG23 VAL B 42 11.212 -6.290 8.581 1.00 25.00 H new ATOM 502 N GLU B 43 12.425 -7.796 6.784 1.00 25.00 N ATOM 503 CA GLU B 43 13.505 -8.600 7.336 1.00 25.00 C ATOM 504 C GLU B 43 14.479 -9.011 6.237 1.00 25.00 C ATOM 505 O GLU B 43 15.678 -8.965 6.421 1.00 25.00 O ATOM 506 CB GLU B 43 12.920 -9.821 8.021 1.00 25.00 C ATOM 507 CG GLU B 43 13.981 -10.564 8.855 1.00 25.00 C ATOM 508 CD GLU B 43 14.270 -9.917 10.189 1.00 25.00 C ATOM 509 OE1 GLU B 43 13.758 -8.921 10.554 1.00 25.00 O ATOM 510 OE2 GLU B 43 15.097 -10.612 10.921 1.00 25.00 O ATOM 0 H GLU B 43 11.523 -8.270 6.754 1.00 25.00 H new ATOM 0 HA GLU B 43 14.057 -8.011 8.068 1.00 25.00 H new ATOM 0 HB2 GLU B 43 12.096 -9.517 8.666 1.00 25.00 H new ATOM 0 HB3 GLU B 43 12.506 -10.496 7.272 1.00 25.00 H new ATOM 0 HG2 GLU B 43 13.646 -11.588 9.023 1.00 25.00 H new ATOM 0 HG3 GLU B 43 14.906 -10.621 8.281 1.00 25.00 H new ATOM 518 N ALA B 44 13.949 -9.306 5.059 1.00 25.00 N ATOM 519 CA ALA B 44 14.788 -9.618 3.898 1.00 25.00 C ATOM 520 C ALA B 44 15.522 -8.338 3.454 1.00 25.00 C ATOM 521 O ALA B 44 16.708 -8.357 3.160 1.00 25.00 O ATOM 522 CB ALA B 44 13.917 -10.203 2.733 1.00 25.00 C ATOM 0 H ALA B 44 12.946 -9.337 4.876 1.00 25.00 H new ATOM 0 HA ALA B 44 15.524 -10.375 4.168 1.00 25.00 H new ATOM 0 HB1 ALA B 44 14.556 -10.429 1.879 1.00 25.00 H new ATOM 0 HB2 ALA B 44 13.425 -11.115 3.070 1.00 25.00 H new ATOM 0 HB3 ALA B 44 13.164 -9.472 2.439 1.00 25.00 H new ATOM 528 N LEU B 45 14.824 -7.207 3.445 1.00 25.00 N ATOM 529 CA LEU B 45 15.460 -5.919 3.127 1.00 25.00 C ATOM 530 C LEU B 45 16.526 -5.543 4.120 1.00 25.00 C ATOM 531 O LEU B 45 17.539 -4.986 3.789 1.00 25.00 O ATOM 532 CB LEU B 45 14.388 -4.882 3.029 1.00 25.00 C ATOM 533 CG LEU B 45 14.451 -3.780 1.990 1.00 25.00 C ATOM 534 CD1 LEU B 45 13.064 -3.148 1.961 1.00 25.00 C ATOM 535 CD2 LEU B 45 15.549 -2.736 2.200 1.00 25.00 C ATOM 0 H LEU B 45 13.827 -7.148 3.651 1.00 25.00 H new ATOM 0 HA LEU B 45 15.979 -5.999 2.172 1.00 25.00 H new ATOM 0 HB2 LEU B 45 13.447 -5.411 2.875 1.00 25.00 H new ATOM 0 HB3 LEU B 45 14.325 -4.397 4.003 1.00 25.00 H new ATOM 0 HG LEU B 45 14.729 -4.221 1.033 1.00 25.00 H new ATOM 0 HD11 LEU B 45 13.046 -2.342 1.227 1.00 25.00 H new ATOM 0 HD12 LEU B 45 12.326 -3.903 1.689 1.00 25.00 H new ATOM 0 HD13 LEU B 45 12.827 -2.746 2.946 1.00 25.00 H new ATOM 0 HD21 LEU B 45 15.504 -1.995 1.402 1.00 25.00 H new ATOM 0 HD22 LEU B 45 15.403 -2.243 3.161 1.00 25.00 H new ATOM 0 HD23 LEU B 45 16.523 -3.225 2.187 1.00 25.00 H new ATOM 547 N TYR B 46 16.353 -5.908 5.364 1.00 25.00 N ATOM 548 CA TYR B 46 17.379 -5.754 6.412 1.00 25.00 C ATOM 549 C TYR B 46 18.529 -6.711 6.120 1.00 25.00 C ATOM 550 O TYR B 46 19.692 -6.301 6.193 1.00 25.00 O ATOM 551 CB TYR B 46 16.778 -5.987 7.832 1.00 25.00 C ATOM 552 CG TYR B 46 17.863 -5.961 8.909 1.00 25.00 C ATOM 553 CD1 TYR B 46 18.267 -4.754 9.506 1.00 25.00 C ATOM 554 CD2 TYR B 46 18.478 -7.160 9.306 1.00 25.00 C ATOM 555 CE1 TYR B 46 19.198 -4.727 10.526 1.00 25.00 C ATOM 556 CE2 TYR B 46 19.405 -7.149 10.336 1.00 25.00 C ATOM 557 CZ TYR B 46 19.745 -5.948 10.986 1.00 25.00 C ATOM 558 OH TYR B 46 20.650 -5.875 12.015 1.00 25.00 O ATOM 0 H TYR B 46 15.488 -6.329 5.702 1.00 25.00 H new ATOM 0 HA TYR B 46 17.758 -4.732 6.402 1.00 25.00 H new ATOM 0 HB2 TYR B 46 16.034 -5.219 8.044 1.00 25.00 H new ATOM 0 HB3 TYR B 46 16.261 -6.947 7.857 1.00 25.00 H new ATOM 0 HD1 TYR B 46 17.839 -3.825 9.159 1.00 25.00 H new ATOM 0 HD2 TYR B 46 18.229 -8.087 8.810 1.00 25.00 H new ATOM 0 HE1 TYR B 46 19.503 -3.789 10.965 1.00 25.00 H new ATOM 0 HE2 TYR B 46 19.872 -8.073 10.644 1.00 25.00 H new ATOM 0 HH TYR B 46 20.956 -6.777 12.246 1.00 25.00 H new ATOM 568 N LEU B 47 18.242 -7.943 5.726 1.00 25.00 N ATOM 569 CA LEU B 47 19.343 -8.894 5.469 1.00 25.00 C ATOM 570 C LEU B 47 20.261 -8.514 4.300 1.00 25.00 C ATOM 571 O LEU B 47 21.446 -8.790 4.332 1.00 25.00 O ATOM 572 CB LEU B 47 18.821 -10.297 5.211 1.00 25.00 C ATOM 573 CG LEU B 47 18.308 -11.094 6.412 1.00 25.00 C ATOM 574 CD1 LEU B 47 17.448 -12.245 5.940 1.00 25.00 C ATOM 575 CD2 LEU B 47 19.504 -11.663 7.257 1.00 25.00 C ATOM 0 H LEU B 47 17.301 -8.309 5.579 1.00 25.00 H new ATOM 0 HA LEU B 47 19.935 -8.855 6.383 1.00 25.00 H new ATOM 0 HB2 LEU B 47 18.012 -10.226 4.484 1.00 25.00 H new ATOM 0 HB3 LEU B 47 19.620 -10.872 4.743 1.00 25.00 H new ATOM 0 HG LEU B 47 17.719 -10.422 7.036 1.00 25.00 H new ATOM 0 HD11 LEU B 47 17.087 -12.807 6.802 1.00 25.00 H new ATOM 0 HD12 LEU B 47 16.598 -11.858 5.378 1.00 25.00 H new ATOM 0 HD13 LEU B 47 18.038 -12.901 5.300 1.00 25.00 H new ATOM 0 HD21 LEU B 47 19.115 -12.226 8.105 1.00 25.00 H new ATOM 0 HD22 LEU B 47 20.110 -12.320 6.633 1.00 25.00 H new ATOM 0 HD23 LEU B 47 20.118 -10.839 7.620 1.00 25.00 H new ATOM 587 N VAL B 48 19.715 -7.827 3.295 1.00 25.00 N ATOM 588 CA VAL B 48 20.558 -7.314 2.183 1.00 25.00 C ATOM 589 C VAL B 48 21.065 -5.846 2.347 1.00 25.00 C ATOM 590 O VAL B 48 22.185 -5.510 1.913 1.00 25.00 O ATOM 591 CB VAL B 48 19.767 -7.458 0.802 1.00 25.00 C ATOM 592 CG1 VAL B 48 18.442 -6.687 0.795 1.00 25.00 C ATOM 593 CG2 VAL B 48 20.644 -7.003 -0.390 1.00 25.00 C ATOM 0 H VAL B 48 18.721 -7.611 3.216 1.00 25.00 H new ATOM 0 HA VAL B 48 21.457 -7.930 2.197 1.00 25.00 H new ATOM 0 HB VAL B 48 19.532 -8.517 0.695 1.00 25.00 H new ATOM 0 HG11 VAL B 48 17.948 -6.821 -0.167 1.00 25.00 H new ATOM 0 HG12 VAL B 48 17.797 -7.064 1.589 1.00 25.00 H new ATOM 0 HG13 VAL B 48 18.637 -5.627 0.958 1.00 25.00 H new ATOM 0 HG21 VAL B 48 20.082 -7.111 -1.318 1.00 25.00 H new ATOM 0 HG22 VAL B 48 20.926 -5.959 -0.256 1.00 25.00 H new ATOM 0 HG23 VAL B 48 21.542 -7.618 -0.436 1.00 25.00 H new ATOM 603 N CYS B 49 20.220 -4.979 2.863 1.00 25.00 N ATOM 604 CA CYS B 49 20.498 -3.535 2.891 1.00 25.00 C ATOM 605 C CYS B 49 20.241 -2.841 4.241 1.00 25.00 C ATOM 606 O CYS B 49 19.977 -1.625 4.330 1.00 25.00 O ATOM 607 CB CYS B 49 19.620 -2.869 1.836 1.00 25.00 C ATOM 608 SG CYS B 49 20.523 -1.689 0.778 1.00 25.00 S ATOM 0 H CYS B 49 19.324 -5.239 3.275 1.00 25.00 H new ATOM 0 HA CYS B 49 21.566 -3.427 2.700 1.00 25.00 H new ATOM 0 HB2 CYS B 49 19.173 -3.639 1.208 1.00 25.00 H new ATOM 0 HB3 CYS B 49 18.802 -2.347 2.332 1.00 25.00 H new ATOM 613 N GLY B 50 20.274 -3.606 5.315 1.00 25.00 N ATOM 614 CA GLY B 50 19.936 -3.077 6.638 1.00 25.00 C ATOM 615 C GLY B 50 21.096 -2.374 7.325 1.00 25.00 C ATOM 616 O GLY B 50 21.572 -2.829 8.348 1.00 25.00 O ATOM 0 H GLY B 50 20.529 -4.593 5.306 1.00 25.00 H new ATOM 0 HA2 GLY B 50 19.105 -2.378 6.540 1.00 25.00 H new ATOM 0 HA3 GLY B 50 19.591 -3.895 7.270 1.00 25.00 H new ATOM 620 N GLU B 51 21.498 -1.231 6.792 1.00 25.00 N ATOM 621 CA GLU B 51 22.538 -0.459 7.386 1.00 25.00 C ATOM 622 C GLU B 51 22.051 0.331 8.651 1.00 25.00 C ATOM 623 O GLU B 51 22.256 1.533 8.713 1.00 25.00 O ATOM 624 CB GLU B 51 23.169 0.461 6.327 1.00 25.00 C ATOM 625 CG GLU B 51 24.664 0.720 6.605 1.00 25.00 C ATOM 626 CD GLU B 51 25.484 -0.501 6.411 1.00 25.00 C ATOM 627 OE1 GLU B 51 26.129 -1.038 7.314 1.00 25.00 O ATOM 628 OE2 GLU B 51 25.508 -0.931 5.162 1.00 25.00 O ATOM 0 H GLU B 51 21.105 -0.828 5.941 1.00 25.00 H new ATOM 0 HA GLU B 51 23.306 -1.141 7.750 1.00 25.00 H new ATOM 0 HB2 GLU B 51 23.056 0.010 5.341 1.00 25.00 H new ATOM 0 HB3 GLU B 51 22.634 1.410 6.306 1.00 25.00 H new ATOM 0 HG2 GLU B 51 25.025 1.508 5.944 1.00 25.00 H new ATOM 0 HG3 GLU B 51 24.786 1.080 7.626 1.00 25.00 H new ATOM 636 N GLN B 52 21.444 -0.358 9.581 1.00 25.00 N ATOM 637 CA GLN B 52 20.934 0.214 10.843 1.00 25.00 C ATOM 638 C GLN B 52 19.906 1.346 10.551 1.00 25.00 C ATOM 639 O GLN B 52 19.747 2.273 11.330 1.00 25.00 O ATOM 640 CB GLN B 52 22.119 0.668 11.711 1.00 25.00 C ATOM 641 CG GLN B 52 23.088 -0.474 12.089 1.00 25.00 C ATOM 642 CD GLN B 52 22.383 -1.478 12.983 1.00 25.00 C ATOM 643 OE1 GLN B 52 21.803 -1.112 13.967 1.00 25.00 O ATOM 644 NE2 GLN B 52 22.481 -2.736 12.680 1.00 25.00 N ATOM 0 H GLN B 52 21.276 -1.361 9.499 1.00 25.00 H new ATOM 0 HA GLN B 52 20.392 -0.542 11.411 1.00 25.00 H new ATOM 0 HB2 GLN B 52 22.673 1.441 11.178 1.00 25.00 H new ATOM 0 HB3 GLN B 52 21.735 1.124 12.624 1.00 25.00 H new ATOM 0 HG2 GLN B 52 23.450 -0.968 11.187 1.00 25.00 H new ATOM 0 HG3 GLN B 52 23.960 -0.068 12.601 1.00 25.00 H new ATOM 0 HE21 GLN B 52 22.980 -3.020 11.837 1.00 25.00 H new ATOM 0 HE22 GLN B 52 22.059 -3.441 13.285 1.00 25.00 H new ATOM 653 N GLY B 53 19.143 1.169 9.478 1.00 25.00 N ATOM 654 CA GLY B 53 18.193 2.193 9.021 1.00 25.00 C ATOM 655 C GLY B 53 16.741 2.000 9.431 1.00 25.00 C ATOM 656 O GLY B 53 15.986 2.940 9.614 1.00 25.00 O ATOM 0 H GLY B 53 19.159 0.326 8.903 1.00 25.00 H new ATOM 0 HA2 GLY B 53 18.528 3.161 9.395 1.00 25.00 H new ATOM 0 HA3 GLY B 53 18.237 2.239 7.933 1.00 25.00 H new ATOM 660 N PHE B 54 16.314 0.759 9.610 1.00 25.00 N ATOM 661 CA PHE B 54 14.929 0.476 9.999 1.00 25.00 C ATOM 662 C PHE B 54 14.704 0.790 11.472 1.00 25.00 C ATOM 663 O PHE B 54 13.589 1.032 11.900 1.00 25.00 O ATOM 664 CB PHE B 54 14.640 -1.005 9.789 1.00 25.00 C ATOM 665 CG PHE B 54 14.383 -1.386 8.347 1.00 25.00 C ATOM 666 CD1 PHE B 54 13.104 -1.081 7.778 1.00 25.00 C ATOM 667 CD2 PHE B 54 15.348 -2.052 7.600 1.00 25.00 C ATOM 668 CE1 PHE B 54 12.864 -1.376 6.461 1.00 25.00 C ATOM 669 CE2 PHE B 54 15.065 -2.407 6.221 1.00 25.00 C ATOM 670 CZ PHE B 54 13.811 -2.042 5.667 1.00 25.00 C ATOM 0 H PHE B 54 16.899 -0.069 9.494 1.00 25.00 H new ATOM 0 HA PHE B 54 14.272 1.096 9.389 1.00 25.00 H new ATOM 0 HB2 PHE B 54 15.484 -1.585 10.162 1.00 25.00 H new ATOM 0 HB3 PHE B 54 13.772 -1.283 10.387 1.00 25.00 H new ATOM 0 HD1 PHE B 54 12.335 -0.622 8.382 1.00 25.00 H new ATOM 0 HD2 PHE B 54 16.301 -2.303 8.042 1.00 25.00 H new ATOM 0 HE1 PHE B 54 11.920 -1.088 6.022 1.00 25.00 H new ATOM 0 HE2 PHE B 54 15.795 -2.939 5.628 1.00 25.00 H new ATOM 0 HZ PHE B 54 13.585 -2.276 4.637 1.00 25.00 H new ATOM 680 N PHE B 55 15.734 0.668 12.278 1.00 25.00 N ATOM 681 CA PHE B 55 15.599 0.746 13.750 1.00 25.00 C ATOM 682 C PHE B 55 16.871 1.247 14.422 1.00 25.00 C ATOM 683 O PHE B 55 17.982 1.067 13.892 1.00 25.00 O ATOM 684 CB PHE B 55 15.284 -0.654 14.238 1.00 25.00 C ATOM 685 CG PHE B 55 14.624 -0.707 15.582 1.00 25.00 C ATOM 686 CD1 PHE B 55 13.251 -0.389 15.694 1.00 25.00 C ATOM 687 CD2 PHE B 55 15.355 -1.019 16.743 1.00 25.00 C ATOM 688 CE1 PHE B 55 12.589 -0.413 16.972 1.00 25.00 C ATOM 689 CE2 PHE B 55 14.723 -1.029 18.013 1.00 25.00 C ATOM 690 CZ PHE B 55 13.311 -0.745 18.136 1.00 25.00 C ATOM 0 H PHE B 55 16.689 0.513 11.955 1.00 25.00 H new ATOM 0 HA PHE B 55 14.812 1.456 14.004 1.00 25.00 H new ATOM 0 HB2 PHE B 55 14.637 -1.143 13.509 1.00 25.00 H new ATOM 0 HB3 PHE B 55 16.209 -1.228 14.278 1.00 25.00 H new ATOM 0 HD1 PHE B 55 12.691 -0.125 14.809 1.00 25.00 H new ATOM 0 HD2 PHE B 55 16.407 -1.253 16.667 1.00 25.00 H new ATOM 0 HE1 PHE B 55 11.537 -0.176 17.039 1.00 25.00 H new ATOM 0 HE2 PHE B 55 15.303 -1.251 18.897 1.00 25.00 H new ATOM 0 HZ PHE B 55 12.821 -0.786 19.097 1.00 25.00 H new ATOM 700 N TYR B 56 16.707 1.875 15.585 1.00 25.00 N ATOM 701 CA TYR B 56 17.800 2.531 16.299 1.00 25.00 C ATOM 702 C TYR B 56 18.062 1.938 17.693 1.00 25.00 C ATOM 703 O TYR B 56 17.260 2.078 18.627 1.00 25.00 O ATOM 704 CB TYR B 56 17.439 4.015 16.381 1.00 25.00 C ATOM 705 CG TYR B 56 18.465 4.822 17.148 1.00 25.00 C ATOM 706 CD1 TYR B 56 19.728 4.986 16.606 1.00 25.00 C ATOM 707 CD2 TYR B 56 18.179 5.403 18.410 1.00 25.00 C ATOM 708 CE1 TYR B 56 20.715 5.769 17.271 1.00 25.00 C ATOM 709 CE2 TYR B 56 19.141 6.135 19.101 1.00 25.00 C ATOM 710 CZ TYR B 56 20.409 6.305 18.514 1.00 25.00 C ATOM 711 OH TYR B 56 21.426 7.026 19.097 1.00 25.00 O ATOM 0 H TYR B 56 15.807 1.943 16.061 1.00 25.00 H new ATOM 0 HA TYR B 56 18.733 2.375 15.758 1.00 25.00 H new ATOM 0 HB2 TYR B 56 17.345 4.418 15.373 1.00 25.00 H new ATOM 0 HB3 TYR B 56 16.466 4.123 16.860 1.00 25.00 H new ATOM 0 HD1 TYR B 56 19.969 4.513 15.665 1.00 25.00 H new ATOM 0 HD2 TYR B 56 17.198 5.275 18.843 1.00 25.00 H new ATOM 0 HE1 TYR B 56 21.680 5.942 16.818 1.00 25.00 H new ATOM 0 HE2 TYR B 56 18.919 6.563 20.067 1.00 25.00 H new ATOM 0 HH TYR B 56 21.128 7.368 19.966 1.00 25.00 H new ATOM 721 N THR B 57 19.191 1.255 17.771 1.00 25.00 N ATOM 722 CA THR B 57 19.641 0.534 18.973 1.00 25.00 C ATOM 723 C THR B 57 21.108 0.905 19.335 1.00 25.00 C ATOM 724 O THR B 57 22.049 0.208 18.930 1.00 25.00 O ATOM 725 CB THR B 57 19.535 -1.009 18.752 1.00 25.00 C ATOM 726 OG1 THR B 57 19.734 -1.257 17.358 1.00 25.00 O ATOM 727 CG2 THR B 57 18.145 -1.513 19.136 1.00 25.00 C ATOM 0 H THR B 57 19.842 1.178 16.990 1.00 25.00 H new ATOM 0 HA THR B 57 18.993 0.829 19.798 1.00 25.00 H new ATOM 0 HB THR B 57 20.277 -1.520 19.366 1.00 25.00 H new ATOM 0 HG1 THR B 57 19.675 -2.220 17.185 1.00 25.00 H new ATOM 0 HG21 THR B 57 18.091 -2.590 18.975 1.00 25.00 H new ATOM 0 HG22 THR B 57 17.956 -1.293 20.187 1.00 25.00 H new ATOM 0 HG23 THR B 57 17.395 -1.016 18.521 1.00 25.00 H new ATOM 735 N PRO B 58 21.332 2.013 20.080 1.00 25.00 N ATOM 736 CA PRO B 58 22.676 2.464 20.413 1.00 25.00 C ATOM 737 C PRO B 58 23.251 1.678 21.576 1.00 25.00 C ATOM 738 O PRO B 58 23.488 2.188 22.662 1.00 25.00 O ATOM 739 CB PRO B 58 22.439 3.937 20.770 1.00 25.00 C ATOM 740 CG PRO B 58 21.135 3.891 21.442 1.00 25.00 C ATOM 741 CD PRO B 58 20.319 2.940 20.642 1.00 25.00 C ATOM 0 HA PRO B 58 23.402 2.326 19.612 1.00 25.00 H new ATOM 0 HB2 PRO B 58 23.219 4.328 21.423 1.00 25.00 H new ATOM 0 HB3 PRO B 58 22.418 4.572 19.884 1.00 25.00 H new ATOM 0 HG2 PRO B 58 21.235 3.553 22.474 1.00 25.00 H new ATOM 0 HG3 PRO B 58 20.673 4.878 21.473 1.00 25.00 H new ATOM 0 HD2 PRO B 58 19.592 2.414 21.261 1.00 25.00 H new ATOM 0 HD3 PRO B 58 19.761 3.450 19.857 1.00 25.00 H new ATOM 749 N LYS B 59 23.515 0.381 21.354 1.00 25.00 N ATOM 750 CA LYS B 59 24.064 -0.541 22.352 1.00 25.00 C ATOM 751 C LYS B 59 25.019 -1.446 21.610 1.00 25.00 C ATOM 752 O LYS B 59 24.902 -1.636 20.400 1.00 25.00 O ATOM 753 CB LYS B 59 22.936 -1.369 23.034 1.00 25.00 C ATOM 754 CG LYS B 59 22.213 -2.344 22.113 1.00 25.00 C ATOM 755 CD LYS B 59 21.312 -3.346 22.889 1.00 25.00 C ATOM 756 CE LYS B 59 19.989 -2.658 23.398 1.00 25.00 C ATOM 757 NZ LYS B 59 19.151 -3.658 24.137 1.00 25.00 N ATOM 0 H LYS B 59 23.347 -0.064 20.452 1.00 25.00 H new ATOM 0 HA LYS B 59 24.571 0.004 23.149 1.00 25.00 H new ATOM 0 HB2 LYS B 59 23.366 -1.927 23.865 1.00 25.00 H new ATOM 0 HB3 LYS B 59 22.205 -0.681 23.457 1.00 25.00 H new ATOM 0 HG2 LYS B 59 21.601 -1.784 21.406 1.00 25.00 H new ATOM 0 HG3 LYS B 59 22.948 -2.899 21.529 1.00 25.00 H new ATOM 0 HD2 LYS B 59 21.061 -4.187 22.243 1.00 25.00 H new ATOM 0 HD3 LYS B 59 21.863 -3.750 23.738 1.00 25.00 H new ATOM 0 HE2 LYS B 59 20.232 -1.819 24.051 1.00 25.00 H new ATOM 0 HE3 LYS B 59 19.430 -2.254 22.554 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 18.279 -3.201 24.471 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 18.908 -4.444 23.501 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 19.684 -4.024 24.952 1.00 25.00 H new ATOM 771 N THR B 60 25.994 -2.048 22.299 1.00 25.00 N ATOM 772 CA THR B 60 27.001 -2.907 21.649 1.00 25.00 C ATOM 773 C THR B 60 26.636 -4.372 21.591 1.00 25.00 C ATOM 774 O THR B 60 26.851 -5.089 20.661 1.00 25.00 O ATOM 775 CB THR B 60 28.276 -2.730 22.461 1.00 25.00 C ATOM 776 OG1 THR B 60 28.022 -1.682 23.440 1.00 25.00 O ATOM 777 CG2 THR B 60 29.511 -2.424 21.591 1.00 25.00 C ATOM 778 OXT THR B 60 26.045 -4.771 22.654 1.00 25.00 O ATOM 0 H THR B 60 26.111 -1.959 23.308 1.00 25.00 H new ATOM 0 HA THR B 60 27.098 -2.605 20.606 1.00 25.00 H new ATOM 0 HB THR B 60 28.523 -3.668 22.959 1.00 25.00 H new ATOM 0 HG1 THR B 60 28.825 -1.541 23.984 1.00 25.00 H new ATOM 0 HG21 THR B 60 30.387 -2.309 22.230 1.00 25.00 H new ATOM 0 HG22 THR B 60 29.676 -3.244 20.893 1.00 25.00 H new ATOM 0 HG23 THR B 60 29.344 -1.502 21.034 1.00 25.00 H new TER 787 THR B 60