USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 381 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 Single : A 1 GLY N :NH3+ -120:sc= 0.112 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 3:sc= 0.603 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 150:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 18 ASN : amide:sc= -2.93! C(o=-2.9!,f=-3.1!) USER MOD Single : A 19 TYR OH : rot 165:sc= -0.103 USER MOD Single : A 21 ASN : amide:sc= -2.69! C(o=-2.7!,f=-11!) USER MOD Single : B 1 PHE N :NH3+ -107:sc= 0.102 (180deg=0.0155) USER MOD Single : B 3 ASN : amide:sc= -7.67! C(o=-7.7!,f=-12!) USER MOD Single : B 4 GLN : amide:sc= -0.0347 K(o=-0.035,f=-1.8!) USER MOD Single : B 5 HIS : no HE2:sc= -22.1! C(o=-22!,f=-28!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -3! C(o=-3!,f=-3.7!) USER MOD Single : B 16 TYR OH : rot -21:sc= -1.97! USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 28 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.098 -9.592 -6.478 1.00 0.00 N ATOM 2 CA GLY A 1 1.516 -8.224 -6.359 1.00 0.00 C ATOM 3 C GLY A 1 2.643 -7.195 -6.266 1.00 0.00 C ATOM 4 O GLY A 1 3.807 -7.537 -6.214 1.00 0.00 O ATOM 0 H1 GLY A 1 1.784 -10.026 -7.369 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.136 -9.530 -6.470 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.780 -10.175 -5.678 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.884 -8.010 -7.221 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.880 -8.163 -5.476 1.00 0.00 H new ATOM 10 N ILE A 2 2.306 -5.934 -6.245 1.00 0.00 N ATOM 11 CA ILE A 2 3.359 -4.883 -6.156 1.00 0.00 C ATOM 12 C ILE A 2 4.086 -4.997 -4.817 1.00 0.00 C ATOM 13 O ILE A 2 5.247 -4.673 -4.706 1.00 0.00 O ATOM 14 CB ILE A 2 2.718 -3.497 -6.278 1.00 0.00 C ATOM 15 CG1 ILE A 2 1.499 -3.407 -5.355 1.00 0.00 C ATOM 16 CG2 ILE A 2 2.276 -3.264 -7.724 1.00 0.00 C ATOM 17 CD1 ILE A 2 1.030 -1.953 -5.268 1.00 0.00 C ATOM 0 H ILE A 2 1.348 -5.587 -6.286 1.00 0.00 H new ATOM 0 HA ILE A 2 4.074 -5.021 -6.967 1.00 0.00 H new ATOM 0 HB ILE A 2 3.446 -2.739 -5.991 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.695 -4.037 -5.735 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.753 -3.778 -4.362 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.820 -2.278 -7.811 1.00 0.00 H new ATOM 0 HG22 ILE A 2 3.142 -3.322 -8.383 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.551 -4.026 -8.010 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.162 -1.889 -4.611 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.834 -1.335 -4.869 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.759 -1.598 -6.262 1.00 0.00 H new ATOM 29 N VAL A 3 3.413 -5.450 -3.797 1.00 0.00 N ATOM 30 CA VAL A 3 4.062 -5.579 -2.469 1.00 0.00 C ATOM 31 C VAL A 3 5.285 -6.493 -2.568 1.00 0.00 C ATOM 32 O VAL A 3 6.324 -6.220 -2.000 1.00 0.00 O ATOM 33 CB VAL A 3 3.055 -6.174 -1.487 1.00 0.00 C ATOM 34 CG1 VAL A 3 3.491 -5.849 -0.068 1.00 0.00 C ATOM 35 CG2 VAL A 3 1.671 -5.570 -1.738 1.00 0.00 C ATOM 0 H VAL A 3 2.435 -5.738 -3.829 1.00 0.00 H new ATOM 0 HA VAL A 3 4.386 -4.597 -2.124 1.00 0.00 H new ATOM 0 HB VAL A 3 3.009 -7.254 -1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.776 -6.271 0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.477 -6.275 0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.533 -4.767 0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.955 -5.997 -1.036 1.00 0.00 H new ATOM 0 HG22 VAL A 3 1.715 -4.490 -1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.356 -5.793 -2.757 1.00 0.00 H new ATOM 45 N GLU A 4 5.170 -7.579 -3.276 1.00 0.00 N ATOM 46 CA GLU A 4 6.327 -8.512 -3.401 1.00 0.00 C ATOM 47 C GLU A 4 7.484 -7.813 -4.116 1.00 0.00 C ATOM 48 O GLU A 4 8.624 -7.896 -3.703 1.00 0.00 O ATOM 49 CB GLU A 4 5.904 -9.745 -4.202 1.00 0.00 C ATOM 50 CG GLU A 4 7.013 -10.797 -4.143 1.00 0.00 C ATOM 51 CD GLU A 4 7.081 -11.389 -2.734 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.045 -11.790 -2.231 1.00 0.00 O ATOM 53 OE2 GLU A 4 8.168 -11.431 -2.182 1.00 0.00 O ATOM 0 H GLU A 4 4.327 -7.863 -3.774 1.00 0.00 H new ATOM 0 HA GLU A 4 6.651 -8.816 -2.406 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.978 -10.154 -3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.705 -9.469 -5.237 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.820 -11.585 -4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.970 -10.347 -4.406 1.00 0.00 H new ATOM 60 N GLN A 5 7.201 -7.130 -5.188 1.00 0.00 N ATOM 61 CA GLN A 5 8.283 -6.429 -5.937 1.00 0.00 C ATOM 62 C GLN A 5 8.607 -5.096 -5.257 1.00 0.00 C ATOM 63 O GLN A 5 9.727 -4.627 -5.290 1.00 0.00 O ATOM 64 CB GLN A 5 7.817 -6.166 -7.371 1.00 0.00 C ATOM 65 CG GLN A 5 8.920 -5.441 -8.144 1.00 0.00 C ATOM 66 CD GLN A 5 8.332 -4.822 -9.414 1.00 0.00 C ATOM 67 OE1 GLN A 5 8.259 -5.467 -10.441 1.00 0.00 O ATOM 68 NE2 GLN A 5 7.906 -3.589 -9.387 1.00 0.00 N ATOM 0 H GLN A 5 6.265 -7.026 -5.580 1.00 0.00 H new ATOM 0 HA GLN A 5 9.176 -7.054 -5.947 1.00 0.00 H new ATOM 0 HB2 GLN A 5 7.573 -7.107 -7.863 1.00 0.00 H new ATOM 0 HB3 GLN A 5 6.908 -5.564 -7.364 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.365 -4.665 -7.521 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.717 -6.139 -8.402 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.967 -3.047 -8.525 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.512 -3.167 -10.228 1.00 0.00 H new ATOM 77 N CYS A 6 7.632 -4.480 -4.652 1.00 0.00 N ATOM 78 CA CYS A 6 7.873 -3.172 -3.979 1.00 0.00 C ATOM 79 C CYS A 6 8.790 -3.362 -2.770 1.00 0.00 C ATOM 80 O CYS A 6 9.432 -2.434 -2.322 1.00 0.00 O ATOM 81 CB CYS A 6 6.539 -2.582 -3.518 1.00 0.00 C ATOM 82 SG CYS A 6 5.773 -1.689 -4.893 1.00 0.00 S ATOM 0 H CYS A 6 6.674 -4.826 -4.594 1.00 0.00 H new ATOM 0 HA CYS A 6 8.351 -2.493 -4.685 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.877 -3.376 -3.171 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.698 -1.909 -2.676 1.00 0.00 H new ATOM 87 N CYS A 7 8.855 -4.550 -2.234 1.00 0.00 N ATOM 88 CA CYS A 7 9.733 -4.788 -1.049 1.00 0.00 C ATOM 89 C CYS A 7 11.161 -4.332 -1.365 1.00 0.00 C ATOM 90 O CYS A 7 11.996 -5.116 -1.770 1.00 0.00 O ATOM 91 CB CYS A 7 9.738 -6.280 -0.708 1.00 0.00 C ATOM 92 SG CYS A 7 8.783 -6.555 0.804 1.00 0.00 S ATOM 0 H CYS A 7 8.340 -5.366 -2.563 1.00 0.00 H new ATOM 0 HA CYS A 7 9.353 -4.221 -0.199 1.00 0.00 H new ATOM 0 HB2 CYS A 7 9.311 -6.854 -1.530 1.00 0.00 H new ATOM 0 HB3 CYS A 7 10.761 -6.630 -0.573 1.00 0.00 H new ATOM 97 N THR A 8 11.447 -3.070 -1.179 1.00 0.00 N ATOM 98 CA THR A 8 12.818 -2.557 -1.466 1.00 0.00 C ATOM 99 C THR A 8 12.908 -1.088 -1.037 1.00 0.00 C ATOM 100 O THR A 8 12.596 -0.192 -1.796 1.00 0.00 O ATOM 101 CB THR A 8 13.105 -2.668 -2.969 1.00 0.00 C ATOM 102 OG1 THR A 8 13.342 -4.027 -3.307 1.00 0.00 O ATOM 103 CG2 THR A 8 14.337 -1.834 -3.324 1.00 0.00 C ATOM 0 H THR A 8 10.787 -2.370 -0.839 1.00 0.00 H new ATOM 0 HA THR A 8 13.550 -3.146 -0.914 1.00 0.00 H new ATOM 0 HB THR A 8 12.245 -2.297 -3.527 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.218 -4.588 -2.513 1.00 0.00 H new ATOM 0 HG21 THR A 8 14.537 -1.916 -4.392 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.156 -0.790 -3.068 1.00 0.00 H new ATOM 0 HG23 THR A 8 15.198 -2.200 -2.765 1.00 0.00 H new ATOM 111 N SER A 9 13.331 -0.834 0.172 1.00 0.00 N ATOM 112 CA SER A 9 13.438 0.577 0.643 1.00 0.00 C ATOM 113 C SER A 9 12.135 1.320 0.336 1.00 0.00 C ATOM 114 O SER A 9 11.205 1.312 1.118 1.00 0.00 O ATOM 115 CB SER A 9 14.600 1.267 -0.073 1.00 0.00 C ATOM 116 OG SER A 9 15.790 1.087 0.682 1.00 0.00 O ATOM 0 H SER A 9 13.607 -1.541 0.853 1.00 0.00 H new ATOM 0 HA SER A 9 13.616 0.588 1.718 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.724 0.852 -1.073 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.389 2.330 -0.193 1.00 0.00 H new ATOM 0 HG SER A 9 16.537 1.527 0.225 1.00 0.00 H new ATOM 122 N ILE A 10 12.057 1.962 -0.798 1.00 0.00 N ATOM 123 CA ILE A 10 10.812 2.702 -1.161 1.00 0.00 C ATOM 124 C ILE A 10 10.375 2.301 -2.571 1.00 0.00 C ATOM 125 O ILE A 10 11.067 2.547 -3.539 1.00 0.00 O ATOM 126 CB ILE A 10 11.091 4.205 -1.115 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.085 4.978 -1.990 1.00 0.00 C ATOM 128 CG2 ILE A 10 12.502 4.442 -1.642 1.00 0.00 C ATOM 129 CD1 ILE A 10 8.673 4.396 -1.831 1.00 0.00 C ATOM 0 H ILE A 10 12.804 2.007 -1.492 1.00 0.00 H new ATOM 0 HA ILE A 10 10.018 2.457 -0.456 1.00 0.00 H new ATOM 0 HB ILE A 10 10.993 4.559 -0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.084 6.031 -1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.390 4.927 -3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 10 12.725 5.509 -1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 10 13.218 3.908 -1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.573 4.079 -2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.977 4.955 -2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.674 3.349 -2.135 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.364 4.470 -0.788 1.00 0.00 H new ATOM 141 N CYS A 11 9.224 1.711 -2.696 1.00 0.00 N ATOM 142 CA CYS A 11 8.735 1.325 -4.040 1.00 0.00 C ATOM 143 C CYS A 11 7.630 2.299 -4.419 1.00 0.00 C ATOM 144 O CYS A 11 6.654 2.423 -3.710 1.00 0.00 O ATOM 145 CB CYS A 11 8.183 -0.102 -4.006 1.00 0.00 C ATOM 146 SG CYS A 11 7.217 -0.420 -5.506 1.00 0.00 S ATOM 0 H CYS A 11 8.600 1.479 -1.923 1.00 0.00 H new ATOM 0 HA CYS A 11 9.545 1.359 -4.768 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.002 -0.817 -3.931 1.00 0.00 H new ATOM 0 HB3 CYS A 11 7.558 -0.239 -3.124 1.00 0.00 H new ATOM 151 N SER A 12 7.798 2.987 -5.524 1.00 0.00 N ATOM 152 CA SER A 12 6.795 3.987 -6.002 1.00 0.00 C ATOM 153 C SER A 12 5.607 4.102 -5.045 1.00 0.00 C ATOM 154 O SER A 12 4.530 3.618 -5.325 1.00 0.00 O ATOM 155 CB SER A 12 6.291 3.568 -7.382 1.00 0.00 C ATOM 156 OG SER A 12 7.289 3.854 -8.353 1.00 0.00 O ATOM 0 H SER A 12 8.613 2.892 -6.130 1.00 0.00 H new ATOM 0 HA SER A 12 7.283 4.960 -6.049 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.056 2.504 -7.388 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.370 4.100 -7.622 1.00 0.00 H new ATOM 0 HG SER A 12 7.224 3.209 -9.088 1.00 0.00 H new ATOM 162 N LEU A 13 5.782 4.754 -3.924 1.00 0.00 N ATOM 163 CA LEU A 13 4.636 4.905 -2.990 1.00 0.00 C ATOM 164 C LEU A 13 3.508 5.494 -3.811 1.00 0.00 C ATOM 165 O LEU A 13 2.345 5.222 -3.596 1.00 0.00 O ATOM 166 CB LEU A 13 5.008 5.855 -1.849 1.00 0.00 C ATOM 167 CG LEU A 13 4.307 5.409 -0.565 1.00 0.00 C ATOM 168 CD1 LEU A 13 5.353 5.101 0.508 1.00 0.00 C ATOM 169 CD2 LEU A 13 3.386 6.528 -0.073 1.00 0.00 C ATOM 0 H LEU A 13 6.657 5.181 -3.621 1.00 0.00 H new ATOM 0 HA LEU A 13 4.353 3.952 -2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.088 5.860 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.716 6.874 -2.100 1.00 0.00 H new ATOM 0 HG LEU A 13 3.718 4.514 -0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.853 4.783 1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.010 4.305 0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.943 5.996 0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.886 6.211 0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.975 7.423 0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.640 6.748 -0.837 1.00 0.00 H new ATOM 181 N TYR A 14 3.866 6.269 -4.793 1.00 0.00 N ATOM 182 CA TYR A 14 2.834 6.849 -5.690 1.00 0.00 C ATOM 183 C TYR A 14 2.153 5.689 -6.409 1.00 0.00 C ATOM 184 O TYR A 14 0.959 5.693 -6.629 1.00 0.00 O ATOM 185 CB TYR A 14 3.493 7.783 -6.708 1.00 0.00 C ATOM 186 CG TYR A 14 4.224 8.885 -5.980 1.00 0.00 C ATOM 187 CD1 TYR A 14 3.513 9.977 -5.468 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.613 8.814 -5.816 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.191 10.999 -4.792 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.291 9.836 -5.140 1.00 0.00 C ATOM 191 CZ TYR A 14 5.580 10.928 -4.628 1.00 0.00 C ATOM 192 OH TYR A 14 6.248 11.935 -3.962 1.00 0.00 O ATOM 0 H TYR A 14 4.828 6.526 -5.013 1.00 0.00 H new ATOM 0 HA TYR A 14 2.107 7.428 -5.120 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.188 7.223 -7.335 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.738 8.208 -7.370 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.442 10.031 -5.594 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.161 7.971 -6.211 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.643 11.842 -4.397 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.362 9.782 -5.014 1.00 0.00 H new ATOM 0 HH TYR A 14 7.206 11.730 -3.935 1.00 0.00 H new ATOM 202 N GLN A 15 2.906 4.673 -6.745 1.00 0.00 N ATOM 203 CA GLN A 15 2.298 3.492 -7.411 1.00 0.00 C ATOM 204 C GLN A 15 1.383 2.811 -6.395 1.00 0.00 C ATOM 205 O GLN A 15 0.256 2.468 -6.689 1.00 0.00 O ATOM 206 CB GLN A 15 3.392 2.519 -7.855 1.00 0.00 C ATOM 207 CG GLN A 15 3.899 2.919 -9.242 1.00 0.00 C ATOM 208 CD GLN A 15 3.486 1.857 -10.263 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.341 1.453 -10.307 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.377 1.384 -11.091 1.00 0.00 N ATOM 0 H GLN A 15 3.912 4.614 -6.586 1.00 0.00 H new ATOM 0 HA GLN A 15 1.735 3.799 -8.293 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.214 2.528 -7.139 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.001 1.502 -7.878 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.490 3.889 -9.525 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.984 3.023 -9.228 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.338 1.723 -11.054 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.112 0.675 -11.775 1.00 0.00 H new ATOM 219 N LEU A 16 1.855 2.643 -5.187 1.00 0.00 N ATOM 220 CA LEU A 16 1.004 2.021 -4.138 1.00 0.00 C ATOM 221 C LEU A 16 -0.157 2.973 -3.863 1.00 0.00 C ATOM 222 O LEU A 16 -1.303 2.576 -3.800 1.00 0.00 O ATOM 223 CB LEU A 16 1.821 1.817 -2.860 1.00 0.00 C ATOM 224 CG LEU A 16 2.137 0.330 -2.690 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.155 -0.100 -3.748 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.721 0.090 -1.295 1.00 0.00 C ATOM 0 H LEU A 16 2.792 2.910 -4.885 1.00 0.00 H new ATOM 0 HA LEU A 16 0.635 1.050 -4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.745 2.393 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.264 2.183 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 16 1.223 -0.251 -2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.380 -1.160 -3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.742 0.072 -4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.070 0.481 -3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.947 -0.969 -1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.635 0.672 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.997 0.397 -0.540 1.00 0.00 H new ATOM 238 N GLU A 17 0.135 4.240 -3.731 1.00 0.00 N ATOM 239 CA GLU A 17 -0.945 5.232 -3.500 1.00 0.00 C ATOM 240 C GLU A 17 -1.864 5.202 -4.718 1.00 0.00 C ATOM 241 O GLU A 17 -3.064 5.333 -4.615 1.00 0.00 O ATOM 242 CB GLU A 17 -0.342 6.629 -3.339 1.00 0.00 C ATOM 243 CG GLU A 17 -0.702 7.185 -1.959 1.00 0.00 C ATOM 244 CD GLU A 17 -1.431 8.520 -2.119 1.00 0.00 C ATOM 245 OE1 GLU A 17 -2.019 8.729 -3.168 1.00 0.00 O ATOM 246 OE2 GLU A 17 -1.389 9.310 -1.191 1.00 0.00 O ATOM 0 H GLU A 17 1.078 4.627 -3.774 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.500 4.991 -2.593 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.741 6.585 -3.454 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.718 7.291 -4.119 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.333 6.476 -1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.201 7.321 -1.364 1.00 0.00 H new ATOM 253 N ASN A 18 -1.298 5.019 -5.877 1.00 0.00 N ATOM 254 CA ASN A 18 -2.121 4.954 -7.115 1.00 0.00 C ATOM 255 C ASN A 18 -2.722 3.547 -7.244 1.00 0.00 C ATOM 256 O ASN A 18 -3.677 3.332 -7.965 1.00 0.00 O ATOM 257 CB ASN A 18 -1.240 5.246 -8.332 1.00 0.00 C ATOM 258 CG ASN A 18 -0.828 6.719 -8.323 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.620 7.582 -7.998 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.387 7.046 -8.668 1.00 0.00 N ATOM 0 H ASN A 18 -0.294 4.911 -6.021 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.920 5.693 -7.064 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.355 4.610 -8.314 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.781 5.014 -9.250 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.672 8.025 -8.665 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.052 6.322 -8.941 1.00 0.00 H new ATOM 267 N TYR A 19 -2.158 2.585 -6.557 1.00 0.00 N ATOM 268 CA TYR A 19 -2.675 1.191 -6.640 1.00 0.00 C ATOM 269 C TYR A 19 -4.124 1.155 -6.170 1.00 0.00 C ATOM 270 O TYR A 19 -5.028 0.845 -6.921 1.00 0.00 O ATOM 271 CB TYR A 19 -1.829 0.285 -5.735 1.00 0.00 C ATOM 272 CG TYR A 19 -2.522 -1.044 -5.536 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.398 -1.532 -6.513 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.282 -1.791 -4.376 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.034 -2.765 -6.330 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.916 -3.025 -4.194 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.793 -3.512 -5.172 1.00 0.00 C ATOM 278 OH TYR A 19 -4.418 -4.729 -4.992 1.00 0.00 O ATOM 0 H TYR A 19 -1.356 2.710 -5.939 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.618 0.843 -7.671 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.847 0.128 -6.180 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.669 0.768 -4.771 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.583 -0.957 -7.408 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.607 -1.414 -3.622 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.711 -3.140 -7.083 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.729 -3.602 -3.300 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.972 -5.223 -4.273 1.00 0.00 H new ATOM 288 N CYS A 20 -4.343 1.459 -4.926 1.00 0.00 N ATOM 289 CA CYS A 20 -5.732 1.432 -4.385 1.00 0.00 C ATOM 290 C CYS A 20 -6.438 0.173 -4.893 1.00 0.00 C ATOM 291 O CYS A 20 -5.808 -0.758 -5.353 1.00 0.00 O ATOM 292 CB CYS A 20 -6.492 2.672 -4.857 1.00 0.00 C ATOM 293 SG CYS A 20 -5.523 4.157 -4.490 1.00 0.00 S ATOM 0 H CYS A 20 -3.621 1.726 -4.256 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.703 1.425 -3.295 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.684 2.607 -5.928 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.461 2.727 -4.362 1.00 0.00 H new ATOM 298 N ASN A 21 -7.739 0.135 -4.818 1.00 0.00 N ATOM 299 CA ASN A 21 -8.473 -1.069 -5.303 1.00 0.00 C ATOM 300 C ASN A 21 -8.327 -1.177 -6.822 1.00 0.00 C ATOM 301 O ASN A 21 -8.530 -0.177 -7.489 1.00 0.00 O ATOM 302 CB ASN A 21 -9.954 -0.950 -4.942 1.00 0.00 C ATOM 303 CG ASN A 21 -10.459 0.448 -5.303 1.00 0.00 C ATOM 304 OD1 ASN A 21 -9.778 1.430 -5.082 1.00 0.00 O ATOM 305 ND2 ASN A 21 -11.634 0.581 -5.854 1.00 0.00 N ATOM 306 OXT ASN A 21 -8.017 -2.260 -7.292 1.00 0.00 O ATOM 0 H ASN A 21 -8.325 0.882 -4.444 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.057 -1.959 -4.831 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.531 -1.705 -5.476 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.095 -1.135 -3.877 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.980 1.509 -6.099 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.206 -0.243 -6.040 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.885 12.756 4.660 1.00 0.00 N ATOM 315 CA PHE B 1 14.712 11.516 4.697 1.00 0.00 C ATOM 316 C PHE B 1 14.106 10.470 3.760 1.00 0.00 C ATOM 317 O PHE B 1 13.235 10.764 2.965 1.00 0.00 O ATOM 318 CB PHE B 1 14.742 10.965 6.124 1.00 0.00 C ATOM 319 CG PHE B 1 15.567 11.878 6.999 1.00 0.00 C ATOM 320 CD1 PHE B 1 16.930 12.058 6.735 1.00 0.00 C ATOM 321 CD2 PHE B 1 14.969 12.545 8.075 1.00 0.00 C ATOM 322 CE1 PHE B 1 17.695 12.904 7.546 1.00 0.00 C ATOM 323 CE2 PHE B 1 15.734 13.391 8.887 1.00 0.00 C ATOM 324 CZ PHE B 1 17.097 13.570 8.623 1.00 0.00 C ATOM 0 H1 PHE B 1 14.393 13.496 4.135 1.00 0.00 H new ATOM 0 H2 PHE B 1 12.980 12.556 4.188 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.704 13.082 5.631 1.00 0.00 H new ATOM 0 HA PHE B 1 15.727 11.747 4.375 1.00 0.00 H new ATOM 0 HB2 PHE B 1 13.728 10.886 6.516 1.00 0.00 H new ATOM 0 HB3 PHE B 1 15.164 9.960 6.128 1.00 0.00 H new ATOM 0 HD1 PHE B 1 17.391 11.544 5.905 1.00 0.00 H new ATOM 0 HD2 PHE B 1 13.917 12.407 8.279 1.00 0.00 H new ATOM 0 HE1 PHE B 1 18.746 13.043 7.341 1.00 0.00 H new ATOM 0 HE2 PHE B 1 15.273 13.905 9.717 1.00 0.00 H new ATOM 0 HZ PHE B 1 17.687 14.222 9.250 1.00 0.00 H new ATOM 336 N VAL B 2 14.558 9.249 3.847 1.00 0.00 N ATOM 337 CA VAL B 2 14.008 8.184 2.961 1.00 0.00 C ATOM 338 C VAL B 2 13.268 7.147 3.809 1.00 0.00 C ATOM 339 O VAL B 2 13.472 7.048 5.003 1.00 0.00 O ATOM 340 CB VAL B 2 15.153 7.505 2.208 1.00 0.00 C ATOM 341 CG1 VAL B 2 14.589 6.710 1.029 1.00 0.00 C ATOM 342 CG2 VAL B 2 16.122 8.569 1.688 1.00 0.00 C ATOM 0 H VAL B 2 15.285 8.943 4.494 1.00 0.00 H new ATOM 0 HA VAL B 2 13.316 8.628 2.245 1.00 0.00 H new ATOM 0 HB VAL B 2 15.681 6.830 2.882 1.00 0.00 H new ATOM 0 HG11 VAL B 2 15.405 6.226 0.493 1.00 0.00 H new ATOM 0 HG12 VAL B 2 13.898 5.952 1.398 1.00 0.00 H new ATOM 0 HG13 VAL B 2 14.061 7.384 0.355 1.00 0.00 H new ATOM 0 HG21 VAL B 2 16.939 8.086 1.151 1.00 0.00 H new ATOM 0 HG22 VAL B 2 15.594 9.244 1.015 1.00 0.00 H new ATOM 0 HG23 VAL B 2 16.525 9.136 2.527 1.00 0.00 H new ATOM 352 N ASN B 3 12.409 6.374 3.202 1.00 0.00 N ATOM 353 CA ASN B 3 11.657 5.345 3.976 1.00 0.00 C ATOM 354 C ASN B 3 12.256 3.963 3.704 1.00 0.00 C ATOM 355 O ASN B 3 13.331 3.841 3.150 1.00 0.00 O ATOM 356 CB ASN B 3 10.188 5.361 3.549 1.00 0.00 C ATOM 357 CG ASN B 3 10.099 5.383 2.022 1.00 0.00 C ATOM 358 OD1 ASN B 3 10.832 6.099 1.369 1.00 0.00 O ATOM 359 ND2 ASN B 3 9.224 4.623 1.421 1.00 0.00 N ATOM 0 H ASN B 3 12.196 6.410 2.205 1.00 0.00 H new ATOM 0 HA ASN B 3 11.727 5.566 5.041 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.675 4.483 3.941 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.687 6.235 3.965 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.156 4.630 0.403 1.00 0.00 H new ATOM 0 HD22 ASN B 3 8.609 4.022 1.969 1.00 0.00 H new ATOM 366 N GLN B 4 11.572 2.921 4.091 1.00 0.00 N ATOM 367 CA GLN B 4 12.107 1.550 3.856 1.00 0.00 C ATOM 368 C GLN B 4 11.047 0.513 4.235 1.00 0.00 C ATOM 369 O GLN B 4 10.892 0.175 5.391 1.00 0.00 O ATOM 370 CB GLN B 4 13.355 1.337 4.716 1.00 0.00 C ATOM 371 CG GLN B 4 13.163 2.019 6.073 1.00 0.00 C ATOM 372 CD GLN B 4 14.488 2.015 6.837 1.00 0.00 C ATOM 373 OE1 GLN B 4 15.545 1.925 6.243 1.00 0.00 O ATOM 374 NE2 GLN B 4 14.477 2.110 8.138 1.00 0.00 N ATOM 0 H GLN B 4 10.667 2.960 4.559 1.00 0.00 H new ATOM 0 HA GLN B 4 12.364 1.438 2.803 1.00 0.00 H new ATOM 0 HB2 GLN B 4 13.536 0.271 4.855 1.00 0.00 H new ATOM 0 HB3 GLN B 4 14.231 1.746 4.212 1.00 0.00 H new ATOM 0 HG2 GLN B 4 12.815 3.042 5.932 1.00 0.00 H new ATOM 0 HG3 GLN B 4 12.397 1.499 6.649 1.00 0.00 H new ATOM 0 HE21 GLN B 4 13.590 2.186 8.636 1.00 0.00 H new ATOM 0 HE22 GLN B 4 15.355 2.109 8.657 1.00 0.00 H new ATOM 383 N HIS B 5 10.311 0.011 3.272 1.00 0.00 N ATOM 384 CA HIS B 5 9.257 -1.007 3.589 1.00 0.00 C ATOM 385 C HIS B 5 9.780 -1.976 4.652 1.00 0.00 C ATOM 386 O HIS B 5 10.970 -2.098 4.864 1.00 0.00 O ATOM 387 CB HIS B 5 8.892 -1.817 2.338 1.00 0.00 C ATOM 388 CG HIS B 5 8.962 -0.953 1.112 1.00 0.00 C ATOM 389 ND1 HIS B 5 10.142 -0.761 0.413 1.00 0.00 N ATOM 390 CD2 HIS B 5 8.005 -0.235 0.440 1.00 0.00 C ATOM 391 CE1 HIS B 5 9.870 0.044 -0.628 1.00 0.00 C ATOM 392 NE2 HIS B 5 8.580 0.393 -0.660 1.00 0.00 N ATOM 0 H HIS B 5 10.393 0.260 2.286 1.00 0.00 H new ATOM 0 HA HIS B 5 8.375 -0.480 3.952 1.00 0.00 H new ATOM 0 HB2 HIS B 5 9.572 -2.662 2.234 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.888 -2.228 2.444 1.00 0.00 H new ATOM 0 HD1 HIS B 5 11.052 -1.158 0.646 1.00 0.00 H new ATOM 0 HD2 HIS B 5 6.965 -0.168 0.722 1.00 0.00 H new ATOM 0 HE1 HIS B 5 10.604 0.369 -1.350 1.00 0.00 H new ATOM 400 N LEU B 6 8.899 -2.674 5.315 1.00 0.00 N ATOM 401 CA LEU B 6 9.346 -3.643 6.354 1.00 0.00 C ATOM 402 C LEU B 6 9.355 -5.049 5.754 1.00 0.00 C ATOM 403 O LEU B 6 9.967 -5.958 6.279 1.00 0.00 O ATOM 404 CB LEU B 6 8.383 -3.598 7.543 1.00 0.00 C ATOM 405 CG LEU B 6 9.070 -2.925 8.732 1.00 0.00 C ATOM 406 CD1 LEU B 6 8.288 -1.672 9.131 1.00 0.00 C ATOM 407 CD2 LEU B 6 9.111 -3.897 9.914 1.00 0.00 C ATOM 0 H LEU B 6 7.889 -2.615 5.182 1.00 0.00 H new ATOM 0 HA LEU B 6 10.348 -3.383 6.694 1.00 0.00 H new ATOM 0 HB2 LEU B 6 7.481 -3.050 7.273 1.00 0.00 H new ATOM 0 HB3 LEU B 6 8.074 -4.608 7.812 1.00 0.00 H new ATOM 0 HG LEU B 6 10.086 -2.646 8.454 1.00 0.00 H new ATOM 0 HD11 LEU B 6 8.777 -1.192 9.978 1.00 0.00 H new ATOM 0 HD12 LEU B 6 8.257 -0.979 8.290 1.00 0.00 H new ATOM 0 HD13 LEU B 6 7.272 -1.951 9.409 1.00 0.00 H new ATOM 0 HD21 LEU B 6 9.601 -3.418 10.762 1.00 0.00 H new ATOM 0 HD22 LEU B 6 8.094 -4.175 10.192 1.00 0.00 H new ATOM 0 HD23 LEU B 6 9.667 -4.791 9.631 1.00 0.00 H new ATOM 419 N CYS B 7 8.679 -5.232 4.651 1.00 0.00 N ATOM 420 CA CYS B 7 8.643 -6.572 4.006 1.00 0.00 C ATOM 421 C CYS B 7 8.140 -7.608 5.010 1.00 0.00 C ATOM 422 O CYS B 7 8.888 -8.136 5.808 1.00 0.00 O ATOM 423 CB CYS B 7 10.048 -6.944 3.532 1.00 0.00 C ATOM 424 SG CYS B 7 9.948 -7.770 1.922 1.00 0.00 S ATOM 0 H CYS B 7 8.149 -4.506 4.169 1.00 0.00 H new ATOM 0 HA CYS B 7 7.969 -6.549 3.149 1.00 0.00 H new ATOM 0 HB2 CYS B 7 10.666 -6.049 3.455 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.526 -7.600 4.259 1.00 0.00 H new ATOM 429 N GLY B 8 6.869 -7.893 4.976 1.00 0.00 N ATOM 430 CA GLY B 8 6.292 -8.886 5.924 1.00 0.00 C ATOM 431 C GLY B 8 4.916 -8.398 6.368 1.00 0.00 C ATOM 432 O GLY B 8 4.650 -8.248 7.544 1.00 0.00 O ATOM 0 H GLY B 8 6.200 -7.478 4.328 1.00 0.00 H new ATOM 0 HA2 GLY B 8 6.210 -9.862 5.445 1.00 0.00 H new ATOM 0 HA3 GLY B 8 6.946 -9.008 6.787 1.00 0.00 H new ATOM 436 N SER B 9 4.052 -8.135 5.423 1.00 0.00 N ATOM 437 CA SER B 9 2.681 -7.638 5.746 1.00 0.00 C ATOM 438 C SER B 9 2.711 -6.112 5.891 1.00 0.00 C ATOM 439 O SER B 9 1.716 -5.443 5.698 1.00 0.00 O ATOM 440 CB SER B 9 2.183 -8.269 7.048 1.00 0.00 C ATOM 441 OG SER B 9 0.773 -8.438 6.979 1.00 0.00 O ATOM 0 H SER B 9 4.241 -8.245 4.427 1.00 0.00 H new ATOM 0 HA SER B 9 2.003 -7.915 4.938 1.00 0.00 H new ATOM 0 HB2 SER B 9 2.669 -9.232 7.208 1.00 0.00 H new ATOM 0 HB3 SER B 9 2.444 -7.635 7.896 1.00 0.00 H new ATOM 0 HG SER B 9 0.451 -8.843 7.811 1.00 0.00 H new ATOM 447 N HIS B 10 3.845 -5.557 6.226 1.00 0.00 N ATOM 448 CA HIS B 10 3.937 -4.081 6.379 1.00 0.00 C ATOM 449 C HIS B 10 3.832 -3.413 5.007 1.00 0.00 C ATOM 450 O HIS B 10 3.109 -2.453 4.828 1.00 0.00 O ATOM 451 CB HIS B 10 5.278 -3.719 7.019 1.00 0.00 C ATOM 452 CG HIS B 10 5.040 -3.108 8.373 1.00 0.00 C ATOM 453 ND1 HIS B 10 5.202 -1.752 8.611 1.00 0.00 N ATOM 454 CD2 HIS B 10 4.652 -3.655 9.571 1.00 0.00 C ATOM 455 CE1 HIS B 10 4.915 -1.531 9.907 1.00 0.00 C ATOM 456 NE2 HIS B 10 4.574 -2.658 10.538 1.00 0.00 N ATOM 0 H HIS B 10 4.712 -6.066 6.400 1.00 0.00 H new ATOM 0 HA HIS B 10 3.122 -3.732 7.014 1.00 0.00 H new ATOM 0 HB2 HIS B 10 5.899 -4.609 7.114 1.00 0.00 H new ATOM 0 HB3 HIS B 10 5.819 -3.019 6.383 1.00 0.00 H new ATOM 0 HD2 HIS B 10 4.440 -4.701 9.737 1.00 0.00 H new ATOM 0 HE1 HIS B 10 4.955 -0.561 10.379 1.00 0.00 H new ATOM 0 HE2 HIS B 10 4.313 -2.765 11.518 1.00 0.00 H new ATOM 464 N LEU B 11 4.550 -3.908 4.035 1.00 0.00 N ATOM 465 CA LEU B 11 4.486 -3.292 2.681 1.00 0.00 C ATOM 466 C LEU B 11 3.042 -3.316 2.183 1.00 0.00 C ATOM 467 O LEU B 11 2.527 -2.329 1.697 1.00 0.00 O ATOM 468 CB LEU B 11 5.376 -4.076 1.714 1.00 0.00 C ATOM 469 CG LEU B 11 5.312 -3.437 0.324 1.00 0.00 C ATOM 470 CD1 LEU B 11 5.436 -1.916 0.447 1.00 0.00 C ATOM 471 CD2 LEU B 11 6.460 -3.971 -0.532 1.00 0.00 C ATOM 0 H LEU B 11 5.175 -4.709 4.120 1.00 0.00 H new ATOM 0 HA LEU B 11 4.837 -2.261 2.734 1.00 0.00 H new ATOM 0 HB2 LEU B 11 6.404 -4.083 2.075 1.00 0.00 H new ATOM 0 HB3 LEU B 11 5.049 -5.114 1.663 1.00 0.00 H new ATOM 0 HG LEU B 11 4.359 -3.684 -0.143 1.00 0.00 H new ATOM 0 HD11 LEU B 11 5.390 -1.466 -0.545 1.00 0.00 H new ATOM 0 HD12 LEU B 11 4.619 -1.533 1.058 1.00 0.00 H new ATOM 0 HD13 LEU B 11 6.388 -1.665 0.915 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.417 -3.518 -1.522 1.00 0.00 H new ATOM 0 HD22 LEU B 11 7.411 -3.723 -0.061 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.372 -5.054 -0.624 1.00 0.00 H new ATOM 483 N VAL B 12 2.377 -4.431 2.311 1.00 0.00 N ATOM 484 CA VAL B 12 0.962 -4.501 1.856 1.00 0.00 C ATOM 485 C VAL B 12 0.113 -3.646 2.792 1.00 0.00 C ATOM 486 O VAL B 12 -0.728 -2.883 2.361 1.00 0.00 O ATOM 487 CB VAL B 12 0.476 -5.951 1.894 1.00 0.00 C ATOM 488 CG1 VAL B 12 0.615 -6.501 3.315 1.00 0.00 C ATOM 489 CG2 VAL B 12 -0.993 -6.007 1.468 1.00 0.00 C ATOM 0 H VAL B 12 2.751 -5.292 2.709 1.00 0.00 H new ATOM 0 HA VAL B 12 0.879 -4.132 0.834 1.00 0.00 H new ATOM 0 HB VAL B 12 1.077 -6.553 1.212 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.268 -7.534 3.341 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.661 -6.461 3.620 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.015 -5.900 3.998 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -1.340 -7.040 1.495 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.593 -5.405 2.150 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.093 -5.617 0.455 1.00 0.00 H new ATOM 499 N GLU B 13 0.345 -3.749 4.071 1.00 0.00 N ATOM 500 CA GLU B 13 -0.432 -2.918 5.026 1.00 0.00 C ATOM 501 C GLU B 13 -0.280 -1.459 4.606 1.00 0.00 C ATOM 502 O GLU B 13 -1.163 -0.647 4.797 1.00 0.00 O ATOM 503 CB GLU B 13 0.115 -3.110 6.442 1.00 0.00 C ATOM 504 CG GLU B 13 -0.921 -2.626 7.460 1.00 0.00 C ATOM 505 CD GLU B 13 -1.980 -3.711 7.665 1.00 0.00 C ATOM 506 OE1 GLU B 13 -2.255 -4.429 6.718 1.00 0.00 O ATOM 507 OE2 GLU B 13 -2.498 -3.804 8.766 1.00 0.00 O ATOM 0 H GLU B 13 1.036 -4.370 4.493 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.482 -3.209 5.018 1.00 0.00 H new ATOM 0 HB2 GLU B 13 0.346 -4.161 6.614 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.045 -2.555 6.562 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -0.435 -2.394 8.407 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -1.390 -1.707 7.109 1.00 0.00 H new ATOM 514 N ALA B 14 0.840 -1.127 4.019 1.00 0.00 N ATOM 515 CA ALA B 14 1.060 0.270 3.566 1.00 0.00 C ATOM 516 C ALA B 14 0.108 0.565 2.411 1.00 0.00 C ATOM 517 O ALA B 14 -0.554 1.582 2.379 1.00 0.00 O ATOM 518 CB ALA B 14 2.507 0.437 3.098 1.00 0.00 C ATOM 0 H ALA B 14 1.612 -1.768 3.835 1.00 0.00 H new ATOM 0 HA ALA B 14 0.872 0.962 4.387 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.666 1.463 2.766 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.184 0.213 3.922 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.703 -0.246 2.272 1.00 0.00 H new ATOM 524 N LEU B 15 0.023 -0.332 1.468 1.00 0.00 N ATOM 525 CA LEU B 15 -0.901 -0.118 0.321 1.00 0.00 C ATOM 526 C LEU B 15 -2.320 0.019 0.872 1.00 0.00 C ATOM 527 O LEU B 15 -3.118 0.797 0.387 1.00 0.00 O ATOM 528 CB LEU B 15 -0.784 -1.306 -0.661 1.00 0.00 C ATOM 529 CG LEU B 15 -1.950 -2.292 -0.494 1.00 0.00 C ATOM 530 CD1 LEU B 15 -3.170 -1.786 -1.270 1.00 0.00 C ATOM 531 CD2 LEU B 15 -1.537 -3.661 -1.038 1.00 0.00 C ATOM 0 H LEU B 15 0.553 -1.203 1.443 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.645 0.789 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.766 -0.933 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.160 -1.825 -0.494 1.00 0.00 H new ATOM 0 HG LEU B 15 -2.203 -2.376 0.563 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.995 -2.488 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.466 -0.809 -0.887 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.919 -1.700 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.362 -4.363 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.284 -3.571 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.670 -4.025 -0.487 1.00 0.00 H new ATOM 543 N TYR B 16 -2.630 -0.723 1.897 1.00 0.00 N ATOM 544 CA TYR B 16 -3.984 -0.629 2.497 1.00 0.00 C ATOM 545 C TYR B 16 -4.144 0.758 3.112 1.00 0.00 C ATOM 546 O TYR B 16 -5.099 1.463 2.853 1.00 0.00 O ATOM 547 CB TYR B 16 -4.128 -1.687 3.594 1.00 0.00 C ATOM 548 CG TYR B 16 -5.148 -2.721 3.179 1.00 0.00 C ATOM 549 CD1 TYR B 16 -6.513 -2.474 3.373 1.00 0.00 C ATOM 550 CD2 TYR B 16 -4.730 -3.928 2.608 1.00 0.00 C ATOM 551 CE1 TYR B 16 -7.458 -3.435 2.995 1.00 0.00 C ATOM 552 CE2 TYR B 16 -5.675 -4.890 2.231 1.00 0.00 C ATOM 553 CZ TYR B 16 -7.039 -4.643 2.425 1.00 0.00 C ATOM 554 OH TYR B 16 -7.971 -5.592 2.055 1.00 0.00 O ATOM 0 H TYR B 16 -2.002 -1.391 2.344 1.00 0.00 H new ATOM 0 HA TYR B 16 -4.745 -0.794 1.734 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -3.166 -2.166 3.778 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -4.434 -1.216 4.528 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.836 -1.543 3.814 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -3.677 -4.118 2.458 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -8.511 -3.244 3.143 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -5.352 -5.822 1.791 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.807 -5.436 2.541 1.00 0.00 H new ATOM 564 N LEU B 17 -3.210 1.150 3.927 1.00 0.00 N ATOM 565 CA LEU B 17 -3.289 2.489 4.569 1.00 0.00 C ATOM 566 C LEU B 17 -3.058 3.596 3.540 1.00 0.00 C ATOM 567 O LEU B 17 -3.722 4.613 3.554 1.00 0.00 O ATOM 568 CB LEU B 17 -2.241 2.591 5.679 1.00 0.00 C ATOM 569 CG LEU B 17 -2.902 2.319 7.031 1.00 0.00 C ATOM 570 CD1 LEU B 17 -2.705 0.850 7.410 1.00 0.00 C ATOM 571 CD2 LEU B 17 -2.262 3.209 8.099 1.00 0.00 C ATOM 0 H LEU B 17 -2.390 0.598 4.178 1.00 0.00 H new ATOM 0 HA LEU B 17 -4.285 2.612 4.994 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -1.439 1.874 5.504 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -1.788 3.583 5.676 1.00 0.00 H new ATOM 0 HG LEU B 17 -3.968 2.538 6.964 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -3.176 0.657 8.374 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -3.159 0.214 6.650 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -1.639 0.631 7.477 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -2.732 3.016 9.063 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -1.196 2.989 8.165 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -2.401 4.256 7.831 1.00 0.00 H new ATOM 583 N VAL B 18 -2.114 3.423 2.656 1.00 0.00 N ATOM 584 CA VAL B 18 -1.851 4.491 1.652 1.00 0.00 C ATOM 585 C VAL B 18 -3.137 4.769 0.875 1.00 0.00 C ATOM 586 O VAL B 18 -3.537 5.904 0.706 1.00 0.00 O ATOM 587 CB VAL B 18 -0.714 4.063 0.709 1.00 0.00 C ATOM 588 CG1 VAL B 18 -1.251 3.197 -0.433 1.00 0.00 C ATOM 589 CG2 VAL B 18 -0.049 5.311 0.124 1.00 0.00 C ATOM 0 H VAL B 18 -1.519 2.597 2.586 1.00 0.00 H new ATOM 0 HA VAL B 18 -1.537 5.406 2.155 1.00 0.00 H new ATOM 0 HB VAL B 18 0.010 3.480 1.278 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -0.429 2.906 -1.087 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -1.721 2.304 -0.022 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -1.986 3.764 -1.005 1.00 0.00 H new ATOM 0 HG21 VAL B 18 0.758 5.013 -0.545 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -0.787 5.890 -0.432 1.00 0.00 H new ATOM 0 HG23 VAL B 18 0.356 5.920 0.932 1.00 0.00 H new ATOM 599 N CYS B 19 -3.804 3.747 0.425 1.00 0.00 N ATOM 600 CA CYS B 19 -5.081 3.965 -0.310 1.00 0.00 C ATOM 601 C CYS B 19 -5.723 2.615 -0.624 1.00 0.00 C ATOM 602 O CYS B 19 -6.414 2.461 -1.612 1.00 0.00 O ATOM 603 CB CYS B 19 -4.812 4.747 -1.607 1.00 0.00 C ATOM 604 SG CYS B 19 -4.329 3.624 -2.947 1.00 0.00 S ATOM 0 H CYS B 19 -3.523 2.772 0.533 1.00 0.00 H new ATOM 0 HA CYS B 19 -5.764 4.547 0.309 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -5.705 5.301 -1.895 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -4.023 5.480 -1.438 1.00 0.00 H new ATOM 609 N GLY B 20 -5.501 1.634 0.201 1.00 0.00 N ATOM 610 CA GLY B 20 -6.105 0.301 -0.080 1.00 0.00 C ATOM 611 C GLY B 20 -7.297 0.072 0.850 1.00 0.00 C ATOM 612 O GLY B 20 -8.321 -0.432 0.444 1.00 0.00 O ATOM 0 H GLY B 20 -4.935 1.693 1.048 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -6.427 0.248 -1.120 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -5.362 -0.484 0.064 1.00 0.00 H new ATOM 616 N GLU B 21 -7.177 0.443 2.094 1.00 0.00 N ATOM 617 CA GLU B 21 -8.307 0.244 3.044 1.00 0.00 C ATOM 618 C GLU B 21 -9.586 0.848 2.459 1.00 0.00 C ATOM 619 O GLU B 21 -10.680 0.410 2.752 1.00 0.00 O ATOM 620 CB GLU B 21 -7.982 0.932 4.372 1.00 0.00 C ATOM 621 CG GLU B 21 -9.236 0.976 5.248 1.00 0.00 C ATOM 622 CD GLU B 21 -8.968 1.843 6.480 1.00 0.00 C ATOM 623 OE1 GLU B 21 -7.872 2.369 6.583 1.00 0.00 O ATOM 624 OE2 GLU B 21 -9.863 1.965 7.300 1.00 0.00 O ATOM 0 H GLU B 21 -6.345 0.876 2.494 1.00 0.00 H new ATOM 0 HA GLU B 21 -8.455 -0.823 3.210 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -7.186 0.394 4.886 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -7.618 1.943 4.190 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -10.075 1.380 4.681 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -9.515 -0.033 5.554 1.00 0.00 H new ATOM 631 N ARG B 22 -9.457 1.856 1.642 1.00 0.00 N ATOM 632 CA ARG B 22 -10.663 2.492 1.050 1.00 0.00 C ATOM 633 C ARG B 22 -11.219 1.618 -0.074 1.00 0.00 C ATOM 634 O ARG B 22 -12.386 1.281 -0.094 1.00 0.00 O ATOM 635 CB ARG B 22 -10.290 3.866 0.491 1.00 0.00 C ATOM 636 CG ARG B 22 -11.485 4.812 0.623 1.00 0.00 C ATOM 637 CD ARG B 22 -11.529 5.750 -0.584 1.00 0.00 C ATOM 638 NE ARG B 22 -11.630 4.944 -1.833 1.00 0.00 N ATOM 639 CZ ARG B 22 -11.284 5.468 -2.978 1.00 0.00 C ATOM 640 NH1 ARG B 22 -10.195 6.181 -3.066 1.00 0.00 N ATOM 641 NH2 ARG B 22 -12.027 5.277 -4.033 1.00 0.00 N ATOM 0 H ARG B 22 -8.567 2.266 1.359 1.00 0.00 H new ATOM 0 HA ARG B 22 -11.424 2.603 1.823 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -9.432 4.269 1.030 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -9.997 3.777 -0.555 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -12.410 4.239 0.686 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -11.405 5.390 1.544 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -12.381 6.425 -0.503 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -10.633 6.370 -0.610 1.00 0.00 H new ATOM 0 HE ARG B 22 -11.969 3.983 -1.794 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -9.614 6.329 -2.241 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -9.924 6.590 -3.960 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -12.878 4.719 -3.963 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -11.757 5.686 -4.928 1.00 0.00 H new ATOM 655 N GLY B 23 -10.394 1.255 -1.013 1.00 0.00 N ATOM 656 CA GLY B 23 -10.876 0.410 -2.143 1.00 0.00 C ATOM 657 C GLY B 23 -10.925 -1.059 -1.714 1.00 0.00 C ATOM 658 O GLY B 23 -11.615 -1.865 -2.306 1.00 0.00 O ATOM 0 H GLY B 23 -9.406 1.506 -1.049 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -11.867 0.739 -2.457 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -10.215 0.525 -3.002 1.00 0.00 H new ATOM 662 N PHE B 24 -10.197 -1.414 -0.693 1.00 0.00 N ATOM 663 CA PHE B 24 -10.201 -2.831 -0.233 1.00 0.00 C ATOM 664 C PHE B 24 -11.373 -3.049 0.726 1.00 0.00 C ATOM 665 O PHE B 24 -11.459 -4.057 1.399 1.00 0.00 O ATOM 666 CB PHE B 24 -8.885 -3.143 0.487 1.00 0.00 C ATOM 667 CG PHE B 24 -7.767 -3.268 -0.525 1.00 0.00 C ATOM 668 CD1 PHE B 24 -7.526 -2.236 -1.443 1.00 0.00 C ATOM 669 CD2 PHE B 24 -6.971 -4.420 -0.546 1.00 0.00 C ATOM 670 CE1 PHE B 24 -6.492 -2.359 -2.378 1.00 0.00 C ATOM 671 CE2 PHE B 24 -5.938 -4.542 -1.482 1.00 0.00 C ATOM 672 CZ PHE B 24 -5.699 -3.512 -2.397 1.00 0.00 C ATOM 0 H PHE B 24 -9.599 -0.785 -0.157 1.00 0.00 H new ATOM 0 HA PHE B 24 -10.305 -3.492 -1.094 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -8.655 -2.353 1.202 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -8.980 -4.069 1.054 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -8.138 -1.346 -1.429 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -7.155 -5.215 0.161 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -6.306 -1.564 -3.085 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -5.326 -5.431 -1.498 1.00 0.00 H new ATOM 0 HZ PHE B 24 -4.902 -3.606 -3.119 1.00 0.00 H new ATOM 682 N PHE B 25 -12.278 -2.110 0.794 1.00 0.00 N ATOM 683 CA PHE B 25 -13.444 -2.263 1.708 1.00 0.00 C ATOM 684 C PHE B 25 -14.599 -2.924 0.953 1.00 0.00 C ATOM 685 O PHE B 25 -14.548 -3.099 -0.248 1.00 0.00 O ATOM 686 CB PHE B 25 -13.884 -0.885 2.208 1.00 0.00 C ATOM 687 CG PHE B 25 -14.446 -1.011 3.603 1.00 0.00 C ATOM 688 CD1 PHE B 25 -13.759 -1.756 4.569 1.00 0.00 C ATOM 689 CD2 PHE B 25 -15.654 -0.384 3.932 1.00 0.00 C ATOM 690 CE1 PHE B 25 -14.280 -1.874 5.863 1.00 0.00 C ATOM 691 CE2 PHE B 25 -16.175 -0.502 5.226 1.00 0.00 C ATOM 692 CZ PHE B 25 -15.488 -1.247 6.192 1.00 0.00 C ATOM 0 H PHE B 25 -12.259 -1.244 0.256 1.00 0.00 H new ATOM 0 HA PHE B 25 -13.161 -2.885 2.558 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -13.037 -0.198 2.206 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -14.635 -0.466 1.538 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -12.827 -2.240 4.316 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -16.184 0.191 3.187 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -13.750 -2.449 6.608 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -17.107 -0.018 5.479 1.00 0.00 H new ATOM 0 HZ PHE B 25 -15.890 -1.338 7.190 1.00 0.00 H new ATOM 702 N TYR B 26 -15.641 -3.292 1.647 1.00 0.00 N ATOM 703 CA TYR B 26 -16.797 -3.940 0.967 1.00 0.00 C ATOM 704 C TYR B 26 -17.640 -2.869 0.265 1.00 0.00 C ATOM 705 O TYR B 26 -17.806 -1.782 0.780 1.00 0.00 O ATOM 706 CB TYR B 26 -17.655 -4.667 2.004 1.00 0.00 C ATOM 707 CG TYR B 26 -18.007 -6.043 1.493 1.00 0.00 C ATOM 708 CD1 TYR B 26 -17.047 -7.062 1.507 1.00 0.00 C ATOM 709 CD2 TYR B 26 -19.294 -6.301 1.006 1.00 0.00 C ATOM 710 CE1 TYR B 26 -17.374 -8.338 1.033 1.00 0.00 C ATOM 711 CE2 TYR B 26 -19.621 -7.577 0.532 1.00 0.00 C ATOM 712 CZ TYR B 26 -18.661 -8.596 0.546 1.00 0.00 C ATOM 713 OH TYR B 26 -18.982 -9.854 0.079 1.00 0.00 O ATOM 0 H TYR B 26 -15.741 -3.172 2.655 1.00 0.00 H new ATOM 0 HA TYR B 26 -16.433 -4.656 0.231 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -17.115 -4.745 2.948 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -18.563 -4.098 2.203 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -16.054 -6.864 1.883 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -20.035 -5.515 0.996 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -16.633 -9.124 1.043 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -20.614 -7.775 0.156 1.00 0.00 H new ATOM 0 HH TYR B 26 -19.915 -9.863 -0.221 1.00 0.00 H new ATOM 723 N PRO B 27 -18.148 -3.210 -0.893 1.00 0.00 N ATOM 724 CA PRO B 27 -18.981 -2.296 -1.693 1.00 0.00 C ATOM 725 C PRO B 27 -20.405 -2.243 -1.134 1.00 0.00 C ATOM 726 O PRO B 27 -20.928 -3.227 -0.647 1.00 0.00 O ATOM 727 CB PRO B 27 -18.966 -2.926 -3.088 1.00 0.00 C ATOM 728 CG PRO B 27 -18.621 -4.421 -2.889 1.00 0.00 C ATOM 729 CD PRO B 27 -17.940 -4.536 -1.512 1.00 0.00 C ATOM 0 HA PRO B 27 -18.616 -1.269 -1.690 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -19.934 -2.813 -3.576 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -18.229 -2.439 -3.726 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -19.521 -5.035 -2.929 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -17.959 -4.774 -3.679 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -18.386 -5.330 -0.912 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -16.879 -4.768 -1.610 1.00 0.00 H new ATOM 737 N THR B 28 -21.038 -1.103 -1.201 1.00 0.00 N ATOM 738 CA THR B 28 -22.427 -0.989 -0.674 1.00 0.00 C ATOM 739 C THR B 28 -22.523 -1.705 0.675 1.00 0.00 C ATOM 740 O THR B 28 -23.071 -2.784 0.778 1.00 0.00 O ATOM 741 CB THR B 28 -23.402 -1.633 -1.663 1.00 0.00 C ATOM 742 OG1 THR B 28 -23.465 -0.845 -2.844 1.00 0.00 O ATOM 743 CG2 THR B 28 -24.791 -1.720 -1.031 1.00 0.00 C ATOM 0 H THR B 28 -20.653 -0.246 -1.598 1.00 0.00 H new ATOM 0 HA THR B 28 -22.681 0.063 -0.545 1.00 0.00 H new ATOM 0 HB THR B 28 -23.057 -2.636 -1.913 1.00 0.00 H new ATOM 0 HG1 THR B 28 -24.087 -1.257 -3.479 1.00 0.00 H new ATOM 0 HG21 THR B 28 -25.484 -2.179 -1.737 1.00 0.00 H new ATOM 0 HG22 THR B 28 -24.742 -2.325 -0.126 1.00 0.00 H new ATOM 0 HG23 THR B 28 -25.140 -0.718 -0.779 1.00 0.00 H new ATOM 751 N LYS B 29 -21.993 -1.113 1.710 1.00 0.00 N ATOM 752 CA LYS B 29 -22.054 -1.761 3.050 1.00 0.00 C ATOM 753 C LYS B 29 -23.381 -1.411 3.726 1.00 0.00 C ATOM 754 O LYS B 29 -23.688 -0.257 3.953 1.00 0.00 O ATOM 755 CB LYS B 29 -20.893 -1.259 3.912 1.00 0.00 C ATOM 756 CG LYS B 29 -20.778 0.261 3.779 1.00 0.00 C ATOM 757 CD LYS B 29 -20.453 0.869 5.145 1.00 0.00 C ATOM 758 CE LYS B 29 -20.374 2.392 5.020 1.00 0.00 C ATOM 759 NZ LYS B 29 -19.579 2.942 6.154 1.00 0.00 N ATOM 0 H LYS B 29 -21.521 -0.209 1.685 1.00 0.00 H new ATOM 0 HA LYS B 29 -21.980 -2.842 2.935 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -21.056 -1.532 4.955 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -19.963 -1.733 3.600 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -19.999 0.516 3.061 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -21.711 0.675 3.397 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -21.219 0.592 5.870 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -19.507 0.474 5.515 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -19.913 2.666 4.071 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -21.376 2.820 5.023 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -19.525 3.977 6.070 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -20.037 2.691 7.053 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -18.619 2.542 6.131 1.00 0.00 H new ATOM 773 N THR B 30 -24.170 -2.398 4.050 1.00 0.00 N ATOM 774 CA THR B 30 -25.477 -2.121 4.711 1.00 0.00 C ATOM 775 C THR B 30 -26.247 -3.431 4.887 1.00 0.00 C ATOM 776 O THR B 30 -26.231 -3.961 5.986 1.00 0.00 O ATOM 777 CB THR B 30 -26.294 -1.161 3.843 1.00 0.00 C ATOM 778 OG1 THR B 30 -27.602 -1.034 4.383 1.00 0.00 O ATOM 779 CG2 THR B 30 -26.379 -1.707 2.417 1.00 0.00 C ATOM 780 OXT THR B 30 -26.839 -3.882 3.921 1.00 0.00 O ATOM 0 H THR B 30 -23.967 -3.384 3.886 1.00 0.00 H new ATOM 0 HA THR B 30 -25.302 -1.669 5.687 1.00 0.00 H new ATOM 0 HB THR B 30 -25.811 -0.184 3.827 1.00 0.00 H new ATOM 0 HG1 THR B 30 -28.126 -0.418 3.829 1.00 0.00 H new ATOM 0 HG21 THR B 30 -26.961 -1.023 1.800 1.00 0.00 H new ATOM 0 HG22 THR B 30 -25.375 -1.804 2.004 1.00 0.00 H new ATOM 0 HG23 THR B 30 -26.862 -2.684 2.430 1.00 0.00 H new TER 788 THR B 30