USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 377 hydrogens (7 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 NoAdj-H: B 24 DHI H2 : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD NoAdj-H: B 24 DHI H : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD Set 1.1: A 5 GLN : amide:sc= 0.338 K(o=0.71,f=-0.73) USER MOD Set 1.2: A 15 GLN : amide:sc= 0.0621 K(o=0.71,f=-3!) USER MOD Set 1.3: A 19 TYR OH : rot 30:sc= 0.311 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.07 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 21 ASN : amide:sc= 0.995 K(o=1,f=0) USER MOD Single : B 1 PHE N :NH3+ 138:sc= 0.00677 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.278 X(o=0.28,f=-0.12) USER MOD Single : B 4 GLN : amide:sc= 0.922 K(o=0.92,f=0) USER MOD Single : B 5 HIS :FLIP no HD1:sc= -0.12 F(o=-1.8!,f=-0.12) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 150: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 1.063 -2.360 -0.781 1.00 0.00 N ATOM 2 CA GLY A 1 0.296 -2.402 -2.048 1.00 0.00 C ATOM 3 C GLY A 1 0.281 -1.054 -2.758 1.00 0.00 C ATOM 4 O GLY A 1 0.612 -0.035 -2.158 1.00 0.00 O ATOM 0 H1 GLY A 1 1.916 -2.948 -0.872 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.339 -1.379 -0.575 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.473 -2.724 -0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.729 -3.153 -2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.728 -2.713 -1.840 1.00 0.00 H new ATOM 10 N ILE A 2 -0.129 -1.039 -4.031 1.00 0.00 N ATOM 11 CA ILE A 2 -0.110 0.119 -4.953 1.00 0.00 C ATOM 12 C ILE A 2 -0.718 1.414 -4.378 1.00 0.00 C ATOM 13 O ILE A 2 -0.116 2.481 -4.509 1.00 0.00 O ATOM 14 CB ILE A 2 -0.760 -0.303 -6.303 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.951 0.837 -7.324 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.137 -0.978 -6.133 1.00 0.00 C ATOM 17 CD1 ILE A 2 0.326 1.509 -7.819 1.00 0.00 C ATOM 0 H ILE A 2 -0.505 -1.876 -4.477 1.00 0.00 H new ATOM 0 HA ILE A 2 0.933 0.389 -5.116 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.024 -1.007 -6.691 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.488 0.441 -8.186 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.588 1.598 -6.874 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.534 -1.247 -7.112 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.029 -1.877 -5.526 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.822 -0.288 -5.641 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.072 2.294 -8.531 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.859 1.945 -6.974 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.961 0.769 -8.306 1.00 0.00 H new ATOM 29 N VAL A 3 -1.863 1.343 -3.691 1.00 0.00 N ATOM 30 CA VAL A 3 -2.501 2.526 -3.080 1.00 0.00 C ATOM 31 C VAL A 3 -1.680 3.080 -1.909 1.00 0.00 C ATOM 32 O VAL A 3 -1.402 4.275 -1.855 1.00 0.00 O ATOM 33 CB VAL A 3 -3.973 2.245 -2.711 1.00 0.00 C ATOM 34 CG1 VAL A 3 -4.179 1.075 -1.737 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.642 3.489 -2.122 1.00 0.00 C ATOM 0 H VAL A 3 -2.375 0.473 -3.540 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.518 3.318 -3.829 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.437 1.962 -3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.243 0.952 -1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.785 0.160 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.655 1.282 -0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.678 3.261 -1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.110 3.796 -1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.615 4.297 -2.853 1.00 0.00 H new ATOM 45 N GLU A 4 -1.214 2.218 -1.008 1.00 0.00 N ATOM 46 CA GLU A 4 -0.373 2.595 0.138 1.00 0.00 C ATOM 47 C GLU A 4 1.027 3.082 -0.291 1.00 0.00 C ATOM 48 O GLU A 4 1.612 3.942 0.367 1.00 0.00 O ATOM 49 CB GLU A 4 -0.292 1.386 1.083 1.00 0.00 C ATOM 50 CG GLU A 4 0.430 1.698 2.400 1.00 0.00 C ATOM 51 CD GLU A 4 0.370 0.492 3.358 1.00 0.00 C ATOM 52 OE1 GLU A 4 1.018 -0.546 3.073 1.00 0.00 O1- ATOM 53 OE2 GLU A 4 -0.321 0.570 4.403 1.00 0.00 O ATOM 0 H GLU A 4 -1.411 1.218 -1.050 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.825 3.443 0.653 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.301 1.036 1.303 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.225 0.571 0.577 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.470 1.956 2.198 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.027 2.567 2.873 1.00 0.00 H new ATOM 60 N GLN A 5 1.545 2.591 -1.421 1.00 0.00 N ATOM 61 CA GLN A 5 2.823 3.022 -1.998 1.00 0.00 C ATOM 62 C GLN A 5 2.803 4.503 -2.412 1.00 0.00 C ATOM 63 O GLN A 5 3.790 5.213 -2.215 1.00 0.00 O ATOM 64 CB GLN A 5 3.128 2.129 -3.216 1.00 0.00 C ATOM 65 CG GLN A 5 4.564 2.256 -3.744 1.00 0.00 C ATOM 66 CD GLN A 5 5.576 1.617 -2.798 1.00 0.00 C ATOM 67 OE1 GLN A 5 6.263 2.279 -2.031 1.00 0.00 O ATOM 68 NE2 GLN A 5 5.698 0.306 -2.813 1.00 0.00 N ATOM 0 H GLN A 5 1.079 1.869 -1.971 1.00 0.00 H new ATOM 0 HA GLN A 5 3.602 2.920 -1.242 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.942 1.089 -2.946 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.434 2.379 -4.019 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.634 1.783 -4.724 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.809 3.309 -3.880 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.129 -0.252 -3.449 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.362 -0.152 -2.188 1.00 0.00 H new ATOM 77 N CYS A 6 1.684 4.961 -2.986 1.00 0.00 N ATOM 78 CA CYS A 6 1.608 6.224 -3.728 1.00 0.00 C ATOM 79 C CYS A 6 0.632 7.283 -3.172 1.00 0.00 C ATOM 80 O CYS A 6 0.825 8.472 -3.430 1.00 0.00 O ATOM 81 CB CYS A 6 1.224 5.871 -5.165 1.00 0.00 C ATOM 82 SG CYS A 6 2.447 4.939 -6.127 1.00 0.00 S ATOM 0 H CYS A 6 0.797 4.459 -2.948 1.00 0.00 H new ATOM 0 HA CYS A 6 2.584 6.701 -3.641 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.300 5.294 -5.139 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.006 6.797 -5.697 1.00 0.00 H new ATOM 87 N CYS A 7 -0.418 6.901 -2.434 1.00 0.00 N ATOM 88 CA CYS A 7 -1.487 7.835 -2.045 1.00 0.00 C ATOM 89 C CYS A 7 -1.119 8.696 -0.818 1.00 0.00 C ATOM 90 O CYS A 7 -1.564 9.839 -0.698 1.00 0.00 O ATOM 91 CB CYS A 7 -2.780 7.039 -1.813 1.00 0.00 C ATOM 92 SG CYS A 7 -4.292 8.029 -1.646 1.00 0.00 S ATOM 0 H CYS A 7 -0.552 5.949 -2.093 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.634 8.545 -2.859 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.912 6.345 -2.643 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.659 6.439 -0.911 1.00 0.00 H new ATOM 97 N THR A 8 -0.292 8.155 0.085 1.00 0.00 N ATOM 98 CA THR A 8 0.117 8.793 1.355 1.00 0.00 C ATOM 99 C THR A 8 1.522 9.425 1.312 1.00 0.00 C ATOM 100 O THR A 8 1.852 10.285 2.133 1.00 0.00 O ATOM 101 CB THR A 8 -0.042 7.782 2.504 1.00 0.00 C ATOM 102 OG1 THR A 8 0.063 8.407 3.765 1.00 0.00 O ATOM 103 CG2 THR A 8 0.984 6.654 2.438 1.00 0.00 C ATOM 0 H THR A 8 0.127 7.234 -0.046 1.00 0.00 H new ATOM 0 HA THR A 8 -0.547 9.640 1.530 1.00 0.00 H new ATOM 0 HB THR A 8 -1.039 7.359 2.383 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.044 7.737 4.472 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.827 5.970 3.272 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.870 6.113 1.498 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.989 7.072 2.497 1.00 0.00 H new ATOM 111 N SER A 9 2.353 9.030 0.339 1.00 0.00 N ATOM 112 CA SER A 9 3.722 9.528 0.128 1.00 0.00 C ATOM 113 C SER A 9 4.126 9.441 -1.353 1.00 0.00 C ATOM 114 O SER A 9 3.454 8.784 -2.151 1.00 0.00 O ATOM 115 CB SER A 9 4.701 8.730 0.999 1.00 0.00 C ATOM 116 OG SER A 9 5.953 9.394 1.070 1.00 0.00 O ATOM 0 H SER A 9 2.082 8.328 -0.350 1.00 0.00 H new ATOM 0 HA SER A 9 3.756 10.578 0.417 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.290 8.607 2.001 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.835 7.731 0.585 1.00 0.00 H new ATOM 0 HG SER A 9 6.567 8.875 1.630 1.00 0.00 H new ATOM 122 N ILE A 10 5.232 10.084 -1.733 1.00 0.00 N ATOM 123 CA ILE A 10 5.770 10.071 -3.102 1.00 0.00 C ATOM 124 C ILE A 10 6.135 8.645 -3.545 1.00 0.00 C ATOM 125 O ILE A 10 6.742 7.885 -2.785 1.00 0.00 O ATOM 126 CB ILE A 10 6.978 11.035 -3.221 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.479 12.480 -3.010 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.699 10.892 -4.572 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.500 13.595 -3.256 1.00 0.00 C ATOM 0 H ILE A 10 5.793 10.640 -1.088 1.00 0.00 H new ATOM 0 HA ILE A 10 4.992 10.426 -3.778 1.00 0.00 H new ATOM 0 HB ILE A 10 7.709 10.780 -2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.626 12.646 -3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.115 12.570 -1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.538 11.586 -4.612 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.066 9.872 -4.682 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.004 11.117 -5.381 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.032 14.563 -3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.346 13.469 -2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.849 13.547 -4.287 1.00 0.00 H new ATOM 141 N CYS A 11 5.824 8.316 -4.803 1.00 0.00 N ATOM 142 CA CYS A 11 6.295 7.105 -5.477 1.00 0.00 C ATOM 143 C CYS A 11 6.846 7.400 -6.888 1.00 0.00 C ATOM 144 O CYS A 11 6.669 8.502 -7.424 1.00 0.00 O ATOM 145 CB CYS A 11 5.173 6.059 -5.476 1.00 0.00 C ATOM 146 SG CYS A 11 3.823 6.344 -6.647 1.00 0.00 S ATOM 0 H CYS A 11 5.226 8.896 -5.391 1.00 0.00 H new ATOM 0 HA CYS A 11 7.142 6.696 -4.926 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.612 5.084 -5.688 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.752 6.008 -4.472 1.00 0.00 H new ATOM 151 N SER A 12 7.522 6.413 -7.483 1.00 0.00 N ATOM 152 CA SER A 12 8.242 6.539 -8.763 1.00 0.00 C ATOM 153 C SER A 12 7.869 5.436 -9.758 1.00 0.00 C ATOM 154 O SER A 12 7.417 4.356 -9.369 1.00 0.00 O ATOM 155 CB SER A 12 9.759 6.544 -8.522 1.00 0.00 C ATOM 156 OG SER A 12 10.132 7.652 -7.715 1.00 0.00 O ATOM 0 H SER A 12 7.588 5.478 -7.081 1.00 0.00 H new ATOM 0 HA SER A 12 7.940 7.487 -9.207 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.059 5.616 -8.036 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.284 6.588 -9.476 1.00 0.00 H new ATOM 0 HG SER A 12 11.101 7.639 -7.570 1.00 0.00 H new ATOM 162 N LEU A 13 8.108 5.675 -11.053 1.00 0.00 N ATOM 163 CA LEU A 13 7.726 4.764 -12.144 1.00 0.00 C ATOM 164 C LEU A 13 8.342 3.361 -12.003 1.00 0.00 C ATOM 165 O LEU A 13 7.708 2.364 -12.338 1.00 0.00 O ATOM 166 CB LEU A 13 8.043 5.445 -13.490 1.00 0.00 C ATOM 167 CG LEU A 13 9.524 5.442 -13.926 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.851 4.243 -14.819 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.837 6.701 -14.727 1.00 0.00 C ATOM 0 H LEU A 13 8.579 6.519 -11.380 1.00 0.00 H new ATOM 0 HA LEU A 13 6.653 4.579 -12.094 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.456 4.956 -14.268 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.704 6.480 -13.438 1.00 0.00 H new ATOM 0 HG LEU A 13 10.120 5.393 -13.015 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.902 4.278 -15.104 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.653 3.319 -14.275 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.231 4.277 -15.715 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.884 6.689 -15.030 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.204 6.735 -15.613 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.647 7.580 -14.111 1.00 0.00 H new ATOM 181 N TYR A 14 9.544 3.276 -11.427 1.00 0.00 N ATOM 182 CA TYR A 14 10.266 2.028 -11.154 1.00 0.00 C ATOM 183 C TYR A 14 9.576 1.143 -10.100 1.00 0.00 C ATOM 184 O TYR A 14 9.784 -0.071 -10.072 1.00 0.00 O ATOM 185 CB TYR A 14 11.686 2.392 -10.699 1.00 0.00 C ATOM 186 CG TYR A 14 12.416 3.334 -11.641 1.00 0.00 C ATOM 187 CD1 TYR A 14 12.837 2.878 -12.905 1.00 0.00 C ATOM 188 CD2 TYR A 14 12.634 4.677 -11.270 1.00 0.00 C ATOM 189 CE1 TYR A 14 13.471 3.763 -13.800 1.00 0.00 C ATOM 190 CE2 TYR A 14 13.262 5.565 -12.164 1.00 0.00 C ATOM 191 CZ TYR A 14 13.681 5.111 -13.435 1.00 0.00 C ATOM 192 OH TYR A 14 14.288 5.960 -14.308 1.00 0.00 O ATOM 0 H TYR A 14 10.060 4.103 -11.127 1.00 0.00 H new ATOM 0 HA TYR A 14 10.283 1.437 -12.070 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.633 2.851 -9.712 1.00 0.00 H new ATOM 0 HB3 TYR A 14 12.268 1.477 -10.594 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.674 1.849 -13.189 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.318 5.025 -10.298 1.00 0.00 H new ATOM 0 HE1 TYR A 14 13.797 3.410 -14.767 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.424 6.594 -11.878 1.00 0.00 H new ATOM 0 HH TYR A 14 14.356 6.851 -13.905 1.00 0.00 H new ATOM 202 N GLN A 15 8.729 1.737 -9.252 1.00 0.00 N ATOM 203 CA GLN A 15 7.866 1.030 -8.299 1.00 0.00 C ATOM 204 C GLN A 15 6.550 0.606 -8.966 1.00 0.00 C ATOM 205 O GLN A 15 6.106 -0.526 -8.784 1.00 0.00 O ATOM 206 CB GLN A 15 7.594 1.915 -7.073 1.00 0.00 C ATOM 207 CG GLN A 15 8.866 2.493 -6.439 1.00 0.00 C ATOM 208 CD GLN A 15 8.498 3.240 -5.169 1.00 0.00 C ATOM 209 OE1 GLN A 15 8.159 4.415 -5.192 1.00 0.00 O ATOM 210 NE2 GLN A 15 8.473 2.568 -4.041 1.00 0.00 N ATOM 0 H GLN A 15 8.622 2.750 -9.208 1.00 0.00 H new ATOM 0 HA GLN A 15 8.381 0.128 -7.969 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.939 2.735 -7.366 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.058 1.331 -6.325 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.570 1.692 -6.213 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.362 3.165 -7.139 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.756 1.588 -4.025 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.170 3.026 -3.181 1.00 0.00 H new ATOM 219 N LEU A 16 5.963 1.472 -9.805 1.00 0.00 N ATOM 220 CA LEU A 16 4.778 1.145 -10.609 1.00 0.00 C ATOM 221 C LEU A 16 5.027 -0.023 -11.588 1.00 0.00 C ATOM 222 O LEU A 16 4.139 -0.845 -11.815 1.00 0.00 O ATOM 223 CB LEU A 16 4.282 2.392 -11.349 1.00 0.00 C ATOM 224 CG LEU A 16 3.897 3.608 -10.486 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.433 4.751 -11.390 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.767 3.291 -9.508 1.00 0.00 C ATOM 0 H LEU A 16 6.300 2.425 -9.945 1.00 0.00 H new ATOM 0 HA LEU A 16 4.001 0.808 -9.923 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.059 2.704 -12.047 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.414 2.110 -11.944 1.00 0.00 H new ATOM 0 HG LEU A 16 4.783 3.887 -9.915 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.161 5.611 -10.778 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.240 5.029 -12.068 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.567 4.429 -11.969 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.532 4.180 -8.923 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.883 2.978 -10.063 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.079 2.488 -8.840 1.00 0.00 H new ATOM 238 N GLU A 17 6.254 -0.159 -12.098 1.00 0.00 N ATOM 239 CA GLU A 17 6.705 -1.306 -12.904 1.00 0.00 C ATOM 240 C GLU A 17 6.573 -2.657 -12.175 1.00 0.00 C ATOM 241 O GLU A 17 6.322 -3.676 -12.822 1.00 0.00 O ATOM 242 CB GLU A 17 8.170 -1.087 -13.323 1.00 0.00 C ATOM 243 CG GLU A 17 8.334 -0.115 -14.500 1.00 0.00 C ATOM 244 CD GLU A 17 8.145 -0.830 -15.852 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.992 -1.166 -16.209 1.00 0.00 O ATOM 246 OE2 GLU A 17 9.155 -1.070 -16.559 1.00 0.00 O1- ATOM 0 H GLU A 17 6.983 0.541 -11.961 1.00 0.00 H new ATOM 0 HA GLU A 17 6.053 -1.358 -13.776 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.731 -0.708 -12.469 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.610 -2.047 -13.592 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.608 0.693 -14.410 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.324 0.340 -14.463 1.00 0.00 H new ATOM 253 N ASN A 18 6.671 -2.697 -10.839 1.00 0.00 N ATOM 254 CA ASN A 18 6.488 -3.933 -10.066 1.00 0.00 C ATOM 255 C ASN A 18 5.020 -4.398 -10.083 1.00 0.00 C ATOM 256 O ASN A 18 4.755 -5.600 -10.154 1.00 0.00 O ATOM 257 CB ASN A 18 6.999 -3.738 -8.627 1.00 0.00 C ATOM 258 CG ASN A 18 8.491 -3.445 -8.531 1.00 0.00 C ATOM 259 OD1 ASN A 18 9.288 -3.775 -9.399 1.00 0.00 O ATOM 260 ND2 ASN A 18 8.925 -2.843 -7.447 1.00 0.00 N ATOM 0 H ASN A 18 6.878 -1.879 -10.267 1.00 0.00 H new ATOM 0 HA ASN A 18 7.076 -4.721 -10.537 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.448 -2.918 -8.165 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.778 -4.636 -8.050 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.921 -2.653 -7.333 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.266 -2.565 -6.719 1.00 0.00 H new ATOM 267 N TYR A 19 4.069 -3.457 -10.094 1.00 0.00 N ATOM 268 CA TYR A 19 2.633 -3.739 -10.221 1.00 0.00 C ATOM 269 C TYR A 19 2.221 -4.041 -11.675 1.00 0.00 C ATOM 270 O TYR A 19 1.299 -4.827 -11.902 1.00 0.00 O ATOM 271 CB TYR A 19 1.830 -2.571 -9.631 1.00 0.00 C ATOM 272 CG TYR A 19 2.239 -2.186 -8.218 1.00 0.00 C ATOM 273 CD1 TYR A 19 2.121 -3.112 -7.164 1.00 0.00 C ATOM 274 CD2 TYR A 19 2.749 -0.901 -7.960 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.543 -2.762 -5.866 1.00 0.00 C ATOM 276 CE2 TYR A 19 3.123 -0.527 -6.656 1.00 0.00 C ATOM 277 CZ TYR A 19 3.056 -1.473 -5.611 1.00 0.00 C ATOM 278 OH TYR A 19 3.478 -1.142 -4.358 1.00 0.00 O ATOM 0 H TYR A 19 4.278 -2.462 -10.014 1.00 0.00 H new ATOM 0 HA TYR A 19 2.409 -4.644 -9.656 1.00 0.00 H new ATOM 0 HB2 TYR A 19 1.943 -1.702 -10.280 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.772 -2.834 -9.632 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.707 -4.092 -7.351 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.855 -0.195 -8.770 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.474 -3.482 -5.064 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.460 0.479 -6.456 1.00 0.00 H new ATOM 0 HH TYR A 19 3.810 -1.943 -3.902 1.00 0.00 H new ATOM 288 N CYS A 20 2.943 -3.493 -12.661 1.00 0.00 N ATOM 289 CA CYS A 20 2.836 -3.888 -14.070 1.00 0.00 C ATOM 290 C CYS A 20 3.268 -5.355 -14.297 1.00 0.00 C ATOM 291 O CYS A 20 2.646 -6.062 -15.092 1.00 0.00 O ATOM 292 CB CYS A 20 3.696 -2.934 -14.911 1.00 0.00 C ATOM 293 SG CYS A 20 3.762 -3.281 -16.692 1.00 0.00 S ATOM 0 H CYS A 20 3.627 -2.753 -12.500 1.00 0.00 H new ATOM 0 HA CYS A 20 1.791 -3.821 -14.374 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.320 -1.920 -14.772 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.713 -2.953 -14.519 1.00 0.00 H new ATOM 298 N ASN A 21 4.296 -5.828 -13.575 1.00 0.00 N ATOM 299 CA ASN A 21 4.781 -7.216 -13.619 1.00 0.00 C ATOM 300 C ASN A 21 4.804 -7.865 -12.222 1.00 0.00 C ATOM 301 O ASN A 21 4.723 -9.094 -12.095 1.00 0.00 O ATOM 302 CB ASN A 21 6.134 -7.280 -14.363 1.00 0.00 C ATOM 303 CG ASN A 21 7.360 -7.258 -13.459 1.00 0.00 C ATOM 304 OD1 ASN A 21 7.989 -8.276 -13.207 1.00 0.00 O ATOM 305 ND2 ASN A 21 7.737 -6.120 -12.927 1.00 0.00 N ATOM 0 H ASN A 21 4.825 -5.242 -12.929 1.00 0.00 H new ATOM 0 HA ASN A 21 4.077 -7.820 -14.191 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.160 -8.189 -14.965 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.194 -6.439 -15.053 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.548 -6.090 -12.309 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.219 -5.265 -13.131 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 7.893 11.374 -17.144 1.00 0.00 N ATOM 314 CA PHE B 1 7.506 11.137 -15.752 1.00 0.00 C ATOM 315 C PHE B 1 8.267 12.056 -14.777 1.00 0.00 C ATOM 316 O PHE B 1 9.455 12.336 -14.969 1.00 0.00 O ATOM 317 CB PHE B 1 7.745 9.658 -15.409 1.00 0.00 C ATOM 318 CG PHE B 1 7.145 9.204 -14.089 1.00 0.00 C ATOM 319 CD1 PHE B 1 7.851 9.385 -12.884 1.00 0.00 C ATOM 320 CD2 PHE B 1 5.883 8.578 -14.066 1.00 0.00 C ATOM 321 CE1 PHE B 1 7.290 8.967 -11.666 1.00 0.00 C ATOM 322 CE2 PHE B 1 5.332 8.138 -12.849 1.00 0.00 C ATOM 323 CZ PHE B 1 6.030 8.342 -11.645 1.00 0.00 C ATOM 0 H1 PHE B 1 7.993 10.463 -17.636 1.00 0.00 H new ATOM 0 H2 PHE B 1 7.162 11.944 -17.615 1.00 0.00 H new ATOM 0 H3 PHE B 1 8.800 11.883 -17.170 1.00 0.00 H new ATOM 0 HA PHE B 1 6.448 11.373 -15.642 1.00 0.00 H new ATOM 0 HB2 PHE B 1 7.333 9.043 -16.209 1.00 0.00 H new ATOM 0 HB3 PHE B 1 8.819 9.474 -15.386 1.00 0.00 H new ATOM 0 HD1 PHE B 1 8.827 9.847 -12.896 1.00 0.00 H new ATOM 0 HD2 PHE B 1 5.337 8.435 -14.987 1.00 0.00 H new ATOM 0 HE1 PHE B 1 7.828 9.126 -10.743 1.00 0.00 H new ATOM 0 HE2 PHE B 1 4.372 7.643 -12.839 1.00 0.00 H new ATOM 0 HZ PHE B 1 5.600 8.020 -10.708 1.00 0.00 H new ATOM 333 N VAL B 2 7.597 12.479 -13.699 1.00 0.00 N ATOM 334 CA VAL B 2 8.187 13.188 -12.547 1.00 0.00 C ATOM 335 C VAL B 2 7.584 12.618 -11.260 1.00 0.00 C ATOM 336 O VAL B 2 6.360 12.498 -11.158 1.00 0.00 O ATOM 337 CB VAL B 2 7.942 14.714 -12.624 1.00 0.00 C ATOM 338 CG1 VAL B 2 8.617 15.453 -11.459 1.00 0.00 C ATOM 339 CG2 VAL B 2 8.481 15.332 -13.922 1.00 0.00 C ATOM 0 H VAL B 2 6.593 12.334 -13.597 1.00 0.00 H new ATOM 0 HA VAL B 2 9.266 13.037 -12.558 1.00 0.00 H new ATOM 0 HB VAL B 2 6.859 14.831 -12.582 1.00 0.00 H new ATOM 0 HG11 VAL B 2 8.424 16.522 -11.546 1.00 0.00 H new ATOM 0 HG12 VAL B 2 8.215 15.087 -10.514 1.00 0.00 H new ATOM 0 HG13 VAL B 2 9.692 15.275 -11.489 1.00 0.00 H new ATOM 0 HG21 VAL B 2 8.283 16.404 -13.924 1.00 0.00 H new ATOM 0 HG22 VAL B 2 9.556 15.162 -13.987 1.00 0.00 H new ATOM 0 HG23 VAL B 2 7.988 14.870 -14.777 1.00 0.00 H new ATOM 349 N ASN B 3 8.421 12.280 -10.272 1.00 0.00 N ATOM 350 CA ASN B 3 7.954 11.772 -8.974 1.00 0.00 C ATOM 351 C ASN B 3 6.988 12.728 -8.262 1.00 0.00 C ATOM 352 O ASN B 3 7.210 13.939 -8.194 1.00 0.00 O ATOM 353 CB ASN B 3 9.110 11.415 -8.027 1.00 0.00 C ATOM 354 CG ASN B 3 10.259 12.414 -7.980 1.00 0.00 C ATOM 355 OD1 ASN B 3 11.403 12.089 -8.265 1.00 0.00 O ATOM 356 ND2 ASN B 3 10.014 13.656 -7.628 1.00 0.00 N ATOM 0 H ASN B 3 9.436 12.350 -10.347 1.00 0.00 H new ATOM 0 HA ASN B 3 7.409 10.860 -9.218 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.709 11.303 -7.020 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.509 10.444 -8.321 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.774 14.336 -7.595 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.064 13.940 -7.388 1.00 0.00 H new ATOM 363 N GLN B 4 5.940 12.150 -7.684 1.00 0.00 N ATOM 364 CA GLN B 4 4.860 12.819 -6.985 1.00 0.00 C ATOM 365 C GLN B 4 4.025 11.769 -6.236 1.00 0.00 C ATOM 366 O GLN B 4 4.053 10.573 -6.531 1.00 0.00 O ATOM 367 CB GLN B 4 4.004 13.627 -7.986 1.00 0.00 C ATOM 368 CG GLN B 4 3.335 12.793 -9.093 1.00 0.00 C ATOM 369 CD GLN B 4 2.928 13.657 -10.283 1.00 0.00 C ATOM 370 OE1 GLN B 4 1.845 14.227 -10.338 1.00 0.00 O ATOM 371 NE2 GLN B 4 3.783 13.805 -11.273 1.00 0.00 N ATOM 0 H GLN B 4 5.819 11.137 -7.695 1.00 0.00 H new ATOM 0 HA GLN B 4 5.260 13.524 -6.256 1.00 0.00 H new ATOM 0 HB2 GLN B 4 3.229 14.157 -7.433 1.00 0.00 H new ATOM 0 HB3 GLN B 4 4.635 14.383 -8.453 1.00 0.00 H new ATOM 0 HG2 GLN B 4 4.021 12.014 -9.426 1.00 0.00 H new ATOM 0 HG3 GLN B 4 2.455 12.292 -8.690 1.00 0.00 H new ATOM 0 HE21 GLN B 4 4.688 13.336 -11.240 1.00 0.00 H new ATOM 0 HE22 GLN B 4 3.540 14.389 -12.073 1.00 0.00 H new ATOM 380 N HIS B 5 3.268 12.244 -5.261 1.00 0.00 N ATOM 381 CA HIS B 5 2.124 11.535 -4.668 1.00 0.00 C ATOM 382 C HIS B 5 1.058 11.277 -5.751 1.00 0.00 C ATOM 383 O HIS B 5 0.750 12.176 -6.538 1.00 0.00 O ATOM 384 CB HIS B 5 1.514 12.370 -3.529 1.00 0.00 C ATOM 385 CG HIS B 5 2.486 12.916 -2.507 1.00 0.00 C ATOM 386 ND1 HIS B 5 3.384 13.924 -2.722 1.00 0.00 N flip ATOM 387 CD2 HIS B 5 2.551 12.540 -1.162 1.00 0.00 C flip ATOM 388 CE1 HIS B 5 3.996 14.173 -1.513 1.00 0.00 C flip ATOM 389 NE2 HIS B 5 3.487 13.327 -0.602 1.00 0.00 N flip ATOM 0 H HIS B 5 3.429 13.160 -4.841 1.00 0.00 H new ATOM 0 HA HIS B 5 2.468 10.584 -4.263 1.00 0.00 H new ATOM 0 HB2 HIS B 5 0.974 13.208 -3.970 1.00 0.00 H new ATOM 0 HB3 HIS B 5 0.779 11.755 -3.009 1.00 0.00 H new ATOM 0 HD2 HIS B 5 1.968 11.774 -0.672 1.00 0.00 H new ATOM 0 HE1 HIS B 5 4.754 14.920 -1.329 1.00 0.00 H new ATOM 0 HE2 HIS B 5 3.771 13.287 0.377 1.00 0.00 H new ATOM 397 N LEU B 6 0.487 10.072 -5.798 1.00 0.00 N ATOM 398 CA LEU B 6 -0.492 9.642 -6.808 1.00 0.00 C ATOM 399 C LEU B 6 -1.607 8.813 -6.159 1.00 0.00 C ATOM 400 O LEU B 6 -1.338 7.850 -5.444 1.00 0.00 O ATOM 401 CB LEU B 6 0.209 8.816 -7.907 1.00 0.00 C ATOM 402 CG LEU B 6 1.107 9.618 -8.858 1.00 0.00 C ATOM 403 CD1 LEU B 6 2.007 8.667 -9.644 1.00 0.00 C ATOM 404 CD2 LEU B 6 0.290 10.449 -9.850 1.00 0.00 C ATOM 0 H LEU B 6 0.697 9.344 -5.115 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.937 10.529 -7.258 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.812 8.044 -7.429 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.553 8.306 -8.497 1.00 0.00 H new ATOM 0 HG LEU B 6 1.703 10.296 -8.247 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.643 9.241 -10.318 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.630 8.101 -8.952 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.391 7.979 -10.224 1.00 0.00 H new ATOM 0 HD21 LEU B 6 0.965 11.001 -10.504 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -0.337 9.788 -10.449 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -0.341 11.151 -9.304 1.00 0.00 H new ATOM 416 N CYS B 7 -2.862 9.159 -6.440 1.00 0.00 N ATOM 417 CA CYS B 7 -4.035 8.445 -5.916 1.00 0.00 C ATOM 418 C CYS B 7 -5.235 8.498 -6.880 1.00 0.00 C ATOM 419 O CYS B 7 -5.279 9.337 -7.783 1.00 0.00 O ATOM 420 CB CYS B 7 -4.373 9.007 -4.529 1.00 0.00 C ATOM 421 SG CYS B 7 -5.225 7.827 -3.448 1.00 0.00 S ATOM 0 H CYS B 7 -3.100 9.948 -7.042 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.794 7.386 -5.822 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.452 9.330 -4.044 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.998 9.892 -4.648 1.00 0.00 H new ATOM 426 N GLY B 8 -6.204 7.591 -6.708 1.00 0.00 N ATOM 427 CA GLY B 8 -7.414 7.513 -7.534 1.00 0.00 C ATOM 428 C GLY B 8 -7.112 7.337 -9.027 1.00 0.00 C ATOM 429 O GLY B 8 -6.196 6.605 -9.411 1.00 0.00 O ATOM 0 H GLY B 8 -6.168 6.879 -5.979 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -8.027 6.679 -7.192 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -8.002 8.420 -7.393 1.00 0.00 H new ATOM 433 N SER B 9 -7.854 8.046 -9.880 1.00 0.00 N ATOM 434 CA SER B 9 -7.690 8.006 -11.342 1.00 0.00 C ATOM 435 C SER B 9 -6.277 8.387 -11.805 1.00 0.00 C ATOM 436 O SER B 9 -5.779 7.811 -12.771 1.00 0.00 O ATOM 437 CB SER B 9 -8.702 8.943 -12.014 1.00 0.00 C ATOM 438 OG SER B 9 -10.025 8.629 -11.601 1.00 0.00 O ATOM 0 H SER B 9 -8.597 8.674 -9.574 1.00 0.00 H new ATOM 0 HA SER B 9 -7.864 6.972 -11.638 1.00 0.00 H new ATOM 0 HB2 SER B 9 -8.472 9.978 -11.760 1.00 0.00 H new ATOM 0 HB3 SER B 9 -8.623 8.855 -13.098 1.00 0.00 H new ATOM 0 HG SER B 9 -10.657 9.237 -12.038 1.00 0.00 H new ATOM 444 N HIS B 10 -5.587 9.291 -11.096 1.00 0.00 N ATOM 445 CA HIS B 10 -4.209 9.693 -11.427 1.00 0.00 C ATOM 446 C HIS B 10 -3.209 8.549 -11.214 1.00 0.00 C ATOM 447 O HIS B 10 -2.297 8.374 -12.022 1.00 0.00 O ATOM 448 CB HIS B 10 -3.800 10.933 -10.618 1.00 0.00 C ATOM 449 CG HIS B 10 -4.419 12.216 -11.122 1.00 0.00 C ATOM 450 ND1 HIS B 10 -3.726 13.261 -11.742 1.00 0.00 N ATOM 451 CD2 HIS B 10 -5.743 12.544 -11.064 1.00 0.00 C ATOM 452 CE1 HIS B 10 -4.648 14.194 -12.039 1.00 0.00 C ATOM 453 NE2 HIS B 10 -5.867 13.788 -11.643 1.00 0.00 N ATOM 0 H HIS B 10 -5.967 9.765 -10.277 1.00 0.00 H new ATOM 0 HA HIS B 10 -4.188 9.945 -12.487 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -4.085 10.787 -9.576 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -2.715 11.030 -10.641 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -6.538 11.945 -10.646 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -4.439 15.135 -12.526 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -6.735 14.312 -11.753 1.00 0.00 H new ATOM 461 N LEU B 11 -3.408 7.727 -10.177 1.00 0.00 N ATOM 462 CA LEU B 11 -2.601 6.526 -9.926 1.00 0.00 C ATOM 463 C LEU B 11 -2.843 5.441 -10.984 1.00 0.00 C ATOM 464 O LEU B 11 -1.887 4.844 -11.479 1.00 0.00 O ATOM 465 CB LEU B 11 -2.914 6.025 -8.506 1.00 0.00 C ATOM 466 CG LEU B 11 -2.078 4.835 -8.011 1.00 0.00 C ATOM 467 CD1 LEU B 11 -0.584 5.144 -8.043 1.00 0.00 C ATOM 468 CD2 LEU B 11 -2.474 4.528 -6.566 1.00 0.00 C ATOM 0 H LEU B 11 -4.140 7.877 -9.482 1.00 0.00 H new ATOM 0 HA LEU B 11 -1.543 6.776 -9.999 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.776 6.854 -7.811 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -3.967 5.746 -8.465 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.270 3.987 -8.668 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.026 4.279 -7.686 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -0.282 5.374 -9.065 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.376 6.000 -7.401 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.889 3.685 -6.200 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.282 5.401 -5.943 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.534 4.279 -6.524 1.00 0.00 H new ATOM 480 N VAL B 12 -4.106 5.231 -11.375 1.00 0.00 N ATOM 481 CA VAL B 12 -4.487 4.289 -12.444 1.00 0.00 C ATOM 482 C VAL B 12 -3.887 4.716 -13.788 1.00 0.00 C ATOM 483 O VAL B 12 -3.289 3.896 -14.482 1.00 0.00 O ATOM 484 CB VAL B 12 -6.019 4.141 -12.539 1.00 0.00 C ATOM 485 CG1 VAL B 12 -6.446 3.210 -13.683 1.00 0.00 C ATOM 486 CG2 VAL B 12 -6.592 3.554 -11.241 1.00 0.00 C ATOM 0 H VAL B 12 -4.902 5.713 -10.957 1.00 0.00 H new ATOM 0 HA VAL B 12 -4.078 3.311 -12.190 1.00 0.00 H new ATOM 0 HB VAL B 12 -6.404 5.144 -12.721 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -7.533 3.139 -13.708 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -6.087 3.610 -14.631 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -6.021 2.219 -13.523 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -7.674 3.459 -11.331 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -6.155 2.572 -11.062 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -6.354 4.214 -10.407 1.00 0.00 H new ATOM 496 N GLU B 13 -3.969 6.003 -14.138 1.00 0.00 N ATOM 497 CA GLU B 13 -3.372 6.542 -15.366 1.00 0.00 C ATOM 498 C GLU B 13 -1.838 6.447 -15.357 1.00 0.00 C ATOM 499 O GLU B 13 -1.251 6.055 -16.364 1.00 0.00 O ATOM 500 CB GLU B 13 -3.822 7.995 -15.595 1.00 0.00 C ATOM 501 CG GLU B 13 -5.265 8.069 -16.115 1.00 0.00 C ATOM 502 CD GLU B 13 -5.709 9.530 -16.327 1.00 0.00 C ATOM 503 OE1 GLU B 13 -5.309 10.147 -17.345 1.00 0.00 O ATOM 504 OE2 GLU B 13 -6.478 10.070 -15.495 1.00 0.00 O1- ATOM 0 H GLU B 13 -4.453 6.704 -13.576 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.728 5.927 -16.193 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -3.743 8.552 -14.661 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -3.153 8.475 -16.309 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.344 7.523 -17.055 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.935 7.582 -15.406 1.00 0.00 H new ATOM 511 N ALA B 14 -1.176 6.720 -14.229 1.00 0.00 N ATOM 512 CA ALA B 14 0.280 6.616 -14.119 1.00 0.00 C ATOM 513 C ALA B 14 0.796 5.180 -14.344 1.00 0.00 C ATOM 514 O ALA B 14 1.802 4.991 -15.035 1.00 0.00 O ATOM 515 CB ALA B 14 0.703 7.156 -12.750 1.00 0.00 C ATOM 0 H ALA B 14 -1.634 7.019 -13.368 1.00 0.00 H new ATOM 0 HA ALA B 14 0.732 7.213 -14.911 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.786 7.086 -12.650 1.00 0.00 H new ATOM 0 HB2 ALA B 14 0.397 8.198 -12.659 1.00 0.00 H new ATOM 0 HB3 ALA B 14 0.228 6.569 -11.964 1.00 0.00 H new ATOM 521 N LEU B 15 0.094 4.162 -13.824 1.00 0.00 N ATOM 522 CA LEU B 15 0.483 2.759 -14.021 1.00 0.00 C ATOM 523 C LEU B 15 0.078 2.225 -15.407 1.00 0.00 C ATOM 524 O LEU B 15 0.776 1.383 -15.965 1.00 0.00 O ATOM 525 CB LEU B 15 0.063 1.889 -12.820 1.00 0.00 C ATOM 526 CG LEU B 15 -1.436 1.634 -12.569 1.00 0.00 C ATOM 527 CD1 LEU B 15 -2.061 0.612 -13.521 1.00 0.00 C ATOM 528 CD2 LEU B 15 -1.618 1.091 -11.151 1.00 0.00 C ATOM 0 H LEU B 15 -0.748 4.286 -13.262 1.00 0.00 H new ATOM 0 HA LEU B 15 1.571 2.700 -14.039 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.548 0.919 -12.931 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.473 2.349 -11.921 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.933 2.591 -12.728 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.117 0.488 -13.280 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.962 0.964 -14.548 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.550 -0.345 -13.414 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.676 0.908 -10.965 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.064 0.158 -11.045 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.244 1.819 -10.432 1.00 0.00 H new ATOM 540 N TYR B 16 -0.973 2.777 -16.019 1.00 0.00 N ATOM 541 CA TYR B 16 -1.325 2.526 -17.422 1.00 0.00 C ATOM 542 C TYR B 16 -0.275 3.105 -18.384 1.00 0.00 C ATOM 543 O TYR B 16 0.113 2.439 -19.343 1.00 0.00 O ATOM 544 CB TYR B 16 -2.735 3.081 -17.688 1.00 0.00 C ATOM 545 CG TYR B 16 -2.982 3.578 -19.099 1.00 0.00 C ATOM 546 CD1 TYR B 16 -3.300 2.679 -20.134 1.00 0.00 C ATOM 547 CD2 TYR B 16 -2.854 4.954 -19.371 1.00 0.00 C ATOM 548 CE1 TYR B 16 -3.505 3.157 -21.444 1.00 0.00 C ATOM 549 CE2 TYR B 16 -3.059 5.437 -20.678 1.00 0.00 C ATOM 550 CZ TYR B 16 -3.388 4.539 -21.718 1.00 0.00 C ATOM 551 OH TYR B 16 -3.595 5.018 -22.975 1.00 0.00 O ATOM 0 H TYR B 16 -1.612 3.419 -15.550 1.00 0.00 H new ATOM 0 HA TYR B 16 -1.332 1.452 -17.608 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -3.463 2.301 -17.463 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.921 3.901 -16.994 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -3.387 1.623 -19.925 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.598 5.639 -18.576 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.751 2.468 -22.238 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.965 6.493 -20.885 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.474 5.990 -22.979 1.00 0.00 H new ATOM 561 N LEU B 17 0.244 4.307 -18.115 1.00 0.00 N ATOM 562 CA LEU B 17 1.233 4.967 -18.972 1.00 0.00 C ATOM 563 C LEU B 17 2.583 4.236 -18.966 1.00 0.00 C ATOM 564 O LEU B 17 3.169 4.015 -20.027 1.00 0.00 O ATOM 565 CB LEU B 17 1.412 6.422 -18.510 1.00 0.00 C ATOM 566 CG LEU B 17 0.292 7.380 -18.958 1.00 0.00 C ATOM 567 CD1 LEU B 17 0.434 8.716 -18.226 1.00 0.00 C ATOM 568 CD2 LEU B 17 0.330 7.657 -20.464 1.00 0.00 C ATOM 0 H LEU B 17 -0.012 4.852 -17.292 1.00 0.00 H new ATOM 0 HA LEU B 17 0.863 4.944 -19.997 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.473 6.439 -17.422 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.364 6.795 -18.888 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.655 6.896 -18.718 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -0.360 9.392 -18.545 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.360 8.552 -17.151 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.403 9.158 -18.460 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -0.479 8.337 -20.729 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.286 8.110 -20.727 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.210 6.721 -21.009 1.00 0.00 H new ATOM 580 N VAL B 18 3.063 3.824 -17.789 1.00 0.00 N ATOM 581 CA VAL B 18 4.352 3.123 -17.653 1.00 0.00 C ATOM 582 C VAL B 18 4.286 1.682 -18.180 1.00 0.00 C ATOM 583 O VAL B 18 5.260 1.187 -18.745 1.00 0.00 O ATOM 584 CB VAL B 18 4.846 3.199 -16.194 1.00 0.00 C ATOM 585 CG1 VAL B 18 4.119 2.242 -15.250 1.00 0.00 C ATOM 586 CG2 VAL B 18 6.343 2.918 -16.073 1.00 0.00 C ATOM 0 H VAL B 18 2.575 3.964 -16.905 1.00 0.00 H new ATOM 0 HA VAL B 18 5.085 3.630 -18.280 1.00 0.00 H new ATOM 0 HB VAL B 18 4.627 4.225 -15.897 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.519 2.351 -14.242 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.054 2.475 -15.245 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.264 1.216 -15.589 1.00 0.00 H new ATOM 0 HG21 VAL B 18 6.642 2.983 -15.027 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.557 1.918 -16.450 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.899 3.652 -16.656 1.00 0.00 H new ATOM 596 N CYS B 19 3.126 1.027 -18.047 1.00 0.00 N ATOM 597 CA CYS B 19 2.947 -0.385 -18.407 1.00 0.00 C ATOM 598 C CYS B 19 2.523 -0.580 -19.874 1.00 0.00 C ATOM 599 O CYS B 19 3.038 -1.464 -20.564 1.00 0.00 O ATOM 600 CB CYS B 19 1.940 -1.005 -17.433 1.00 0.00 C ATOM 601 SG CYS B 19 1.906 -2.813 -17.375 1.00 0.00 S ATOM 0 H CYS B 19 2.279 1.465 -17.684 1.00 0.00 H new ATOM 0 HA CYS B 19 3.907 -0.895 -18.322 1.00 0.00 H new ATOM 0 HB2 CYS B 19 2.156 -0.633 -16.432 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.944 -0.651 -17.697 1.00 0.00 H new ATOM 606 N GLY B 20 1.623 0.277 -20.373 1.00 0.00 N ATOM 607 CA GLY B 20 1.156 0.281 -21.761 1.00 0.00 C ATOM 608 C GLY B 20 2.109 0.970 -22.745 1.00 0.00 C ATOM 609 O GLY B 20 2.103 0.633 -23.930 1.00 0.00 O ATOM 0 H GLY B 20 1.189 1.005 -19.805 1.00 0.00 H new ATOM 0 HA2 GLY B 20 1.002 -0.749 -22.083 1.00 0.00 H new ATOM 0 HA3 GLY B 20 0.186 0.777 -21.804 1.00 0.00 H new ATOM 613 N GLU B 21 2.955 1.889 -22.260 1.00 0.00 N ATOM 614 CA GLU B 21 3.939 2.654 -23.037 1.00 0.00 C ATOM 615 C GLU B 21 3.327 3.368 -24.273 1.00 0.00 C ATOM 616 O GLU B 21 2.107 3.510 -24.385 1.00 0.00 O ATOM 617 CB GLU B 21 5.135 1.722 -23.344 1.00 0.00 C ATOM 618 CG GLU B 21 6.457 2.186 -22.712 1.00 0.00 C ATOM 619 CD GLU B 21 6.926 3.566 -23.216 1.00 0.00 C ATOM 620 OE1 GLU B 21 6.898 3.801 -24.445 1.00 0.00 O ATOM 621 OE2 GLU B 21 7.313 4.422 -22.385 1.00 0.00 O1- ATOM 0 H GLU B 21 2.972 2.130 -21.269 1.00 0.00 H new ATOM 0 HA GLU B 21 4.307 3.494 -22.448 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.904 0.719 -22.986 1.00 0.00 H new ATOM 0 HB3 GLU B 21 5.263 1.654 -24.424 1.00 0.00 H new ATOM 0 HG2 GLU B 21 6.340 2.224 -21.629 1.00 0.00 H new ATOM 0 HG3 GLU B 21 7.231 1.448 -22.923 1.00 0.00 H new ATOM 628 N ARG B 22 4.149 3.838 -25.223 1.00 0.00 N ATOM 629 CA ARG B 22 3.688 4.440 -26.490 1.00 0.00 C ATOM 630 C ARG B 22 2.931 3.470 -27.414 1.00 0.00 C ATOM 631 O ARG B 22 2.246 3.912 -28.337 1.00 0.00 O ATOM 632 CB ARG B 22 4.897 5.082 -27.195 1.00 0.00 C ATOM 633 CG ARG B 22 5.903 4.056 -27.759 1.00 0.00 C ATOM 634 CD ARG B 22 7.236 4.705 -28.149 1.00 0.00 C ATOM 635 NE ARG B 22 7.060 5.735 -29.191 1.00 0.00 N ATOM 636 CZ ARG B 22 8.014 6.414 -29.804 1.00 0.00 C ATOM 637 NH1 ARG B 22 9.277 6.231 -29.535 1.00 0.00 N ATOM 638 NH2 ARG B 22 7.715 7.301 -30.709 1.00 0.00 N1+ ATOM 0 H ARG B 22 5.165 3.812 -25.135 1.00 0.00 H new ATOM 0 HA ARG B 22 2.947 5.201 -26.245 1.00 0.00 H new ATOM 0 HB2 ARG B 22 4.539 5.712 -28.009 1.00 0.00 H new ATOM 0 HB3 ARG B 22 5.413 5.734 -26.490 1.00 0.00 H new ATOM 0 HG2 ARG B 22 6.083 3.280 -27.015 1.00 0.00 H new ATOM 0 HG3 ARG B 22 5.470 3.567 -28.632 1.00 0.00 H new ATOM 0 HD2 ARG B 22 7.693 5.154 -27.267 1.00 0.00 H new ATOM 0 HD3 ARG B 22 7.922 3.938 -28.508 1.00 0.00 H new ATOM 0 HE ARG B 22 6.101 5.945 -29.467 1.00 0.00 H new ATOM 0 HH11 ARG B 22 9.555 5.546 -28.832 1.00 0.00 H new ATOM 0 HH12 ARG B 22 9.987 6.773 -30.028 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.739 7.476 -30.949 1.00 0.00 H new ATOM 0 HH22 ARG B 22 8.457 7.821 -31.178 1.00 0.00 H new ATOM 652 N GLY B 23 3.056 2.160 -27.178 1.00 0.00 N ATOM 653 CA GLY B 23 2.434 1.095 -27.972 1.00 0.00 C ATOM 654 C GLY B 23 0.957 0.822 -27.665 1.00 0.00 C ATOM 655 O GLY B 23 0.249 0.264 -28.507 1.00 0.00 O ATOM 0 H GLY B 23 3.612 1.799 -26.403 1.00 0.00 H new ATOM 0 HA2 GLY B 23 2.527 1.351 -29.027 1.00 0.00 H new ATOM 0 HA3 GLY B 23 2.996 0.174 -27.817 1.00 0.00 H new HETATM 659 N DHI B 24 0.484 1.203 -26.476 1.00 0.00 N HETATM 660 CA DHI B 24 -0.879 0.900 -26.003 1.00 0.00 C HETATM 661 C DHI B 24 -1.032 -0.549 -25.513 1.00 0.00 C HETATM 662 O DHI B 24 -2.101 -1.141 -25.676 1.00 0.00 O HETATM 663 CB DHI B 24 -1.296 1.904 -24.917 1.00 0.00 C HETATM 664 CG DHI B 24 -1.701 3.244 -25.485 1.00 0.00 C HETATM 665 ND1 DHI B 24 -2.867 3.486 -26.220 1.00 0.00 N HETATM 666 CD2 DHI B 24 -1.004 4.411 -25.373 1.00 0.00 C HETATM 667 CE1 DHI B 24 -2.842 4.794 -26.533 1.00 0.00 C HETATM 668 NE2 DHI B 24 -1.734 5.371 -26.038 1.00 0.00 N HETATM 0 HE2 DHI B 24 -1.477 6.353 -26.138 1.00 0.00 H new HETATM 0 HE1 DHI B 24 -3.611 5.312 -27.106 1.00 0.00 H new HETATM 0 HD2 DHI B 24 -0.054 4.556 -24.858 1.00 0.00 H new HETATM 0 HD1 DHI B 24 -3.588 2.809 -26.468 1.00 0.00 H new HETATM 0 HB3 DHI B 24 -2.127 1.490 -24.346 1.00 0.00 H new HETATM 0 HB2 DHI B 24 -0.469 2.044 -24.221 1.00 0.00 H new HETATM 0 HA DHI B 24 -1.550 1.001 -26.856 1.00 0.00 H new ATOM 676 N PHE B 25 0.031 -1.140 -24.959 1.00 0.00 N ATOM 677 CA PHE B 25 0.065 -2.533 -24.498 1.00 0.00 C ATOM 678 C PHE B 25 -0.837 -2.785 -23.270 1.00 0.00 C ATOM 679 O PHE B 25 -1.277 -1.852 -22.590 1.00 0.00 O ATOM 680 CB PHE B 25 1.523 -2.946 -24.219 1.00 0.00 C ATOM 681 CG PHE B 25 2.511 -2.668 -25.342 1.00 0.00 C ATOM 682 CD1 PHE B 25 2.299 -3.204 -26.627 1.00 0.00 C ATOM 683 CD2 PHE B 25 3.654 -1.880 -25.099 1.00 0.00 C ATOM 684 CE1 PHE B 25 3.220 -2.950 -27.661 1.00 0.00 C ATOM 685 CE2 PHE B 25 4.575 -1.627 -26.133 1.00 0.00 C ATOM 686 CZ PHE B 25 4.359 -2.164 -27.413 1.00 0.00 C ATOM 0 H PHE B 25 0.915 -0.651 -24.815 1.00 0.00 H new ATOM 0 HA PHE B 25 -0.343 -3.156 -25.294 1.00 0.00 H new ATOM 0 HB2 PHE B 25 1.864 -2.427 -23.323 1.00 0.00 H new ATOM 0 HB3 PHE B 25 1.543 -4.013 -23.997 1.00 0.00 H new ATOM 0 HD1 PHE B 25 1.427 -3.812 -26.820 1.00 0.00 H new ATOM 0 HD2 PHE B 25 3.824 -1.468 -24.115 1.00 0.00 H new ATOM 0 HE1 PHE B 25 3.051 -3.359 -28.646 1.00 0.00 H new ATOM 0 HE2 PHE B 25 5.448 -1.020 -25.942 1.00 0.00 H new ATOM 0 HZ PHE B 25 5.067 -1.973 -28.206 1.00 0.00 H new ATOM 696 N TYR B 26 -1.109 -4.060 -22.975 1.00 0.00 N ATOM 697 CA TYR B 26 -1.953 -4.475 -21.846 1.00 0.00 C ATOM 698 C TYR B 26 -1.358 -4.078 -20.483 1.00 0.00 C ATOM 699 O TYR B 26 -0.143 -4.144 -20.278 1.00 0.00 O ATOM 700 CB TYR B 26 -2.191 -5.992 -21.900 1.00 0.00 C ATOM 701 CG TYR B 26 -2.796 -6.487 -23.203 1.00 0.00 C ATOM 702 CD1 TYR B 26 -4.151 -6.230 -23.491 1.00 0.00 C ATOM 703 CD2 TYR B 26 -2.001 -7.194 -24.128 1.00 0.00 C ATOM 704 CE1 TYR B 26 -4.713 -6.675 -24.704 1.00 0.00 C ATOM 705 CE2 TYR B 26 -2.561 -7.640 -25.341 1.00 0.00 C ATOM 706 CZ TYR B 26 -3.918 -7.381 -25.634 1.00 0.00 C ATOM 707 OH TYR B 26 -4.450 -7.816 -26.810 1.00 0.00 O ATOM 0 H TYR B 26 -0.746 -4.843 -23.519 1.00 0.00 H new ATOM 0 HA TYR B 26 -2.902 -3.948 -21.943 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -1.242 -6.502 -21.738 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -2.849 -6.274 -21.078 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.760 -5.691 -22.781 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -0.963 -7.394 -23.907 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -5.752 -6.476 -24.923 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -1.951 -8.181 -26.049 1.00 0.00 H new ATOM 0 HH TYR B 26 -3.761 -8.282 -27.328 1.00 0.00 H new ATOM 717 N THR B 27 -2.228 -3.714 -19.534 1.00 0.00 N ATOM 718 CA THR B 27 -1.867 -3.335 -18.155 1.00 0.00 C ATOM 719 C THR B 27 -2.613 -4.225 -17.148 1.00 0.00 C ATOM 720 O THR B 27 -3.828 -4.061 -16.985 1.00 0.00 O ATOM 721 CB THR B 27 -2.173 -1.848 -17.898 1.00 0.00 C ATOM 722 OG1 THR B 27 -1.433 -1.035 -18.785 1.00 0.00 O ATOM 723 CG2 THR B 27 -1.796 -1.405 -16.485 1.00 0.00 C ATOM 0 H THR B 27 -3.233 -3.672 -19.705 1.00 0.00 H new ATOM 0 HA THR B 27 -0.795 -3.485 -18.025 1.00 0.00 H new ATOM 0 HB THR B 27 -3.248 -1.737 -18.042 1.00 0.00 H new ATOM 0 HG1 THR B 27 -1.933 -0.212 -18.969 1.00 0.00 H new ATOM 0 HG21 THR B 27 -2.033 -0.349 -16.359 1.00 0.00 H new ATOM 0 HG22 THR B 27 -2.357 -1.992 -15.758 1.00 0.00 H new ATOM 0 HG23 THR B 27 -0.728 -1.558 -16.328 1.00 0.00 H new ATOM 731 N PRO B 28 -1.929 -5.164 -16.464 1.00 0.00 N ATOM 732 CA PRO B 28 -2.524 -5.987 -15.408 1.00 0.00 C ATOM 733 C PRO B 28 -3.059 -5.166 -14.222 1.00 0.00 C ATOM 734 O PRO B 28 -2.491 -4.131 -13.858 1.00 0.00 O ATOM 735 CB PRO B 28 -1.426 -6.967 -14.974 1.00 0.00 C ATOM 736 CG PRO B 28 -0.561 -7.086 -16.226 1.00 0.00 C ATOM 737 CD PRO B 28 -0.597 -5.665 -16.782 1.00 0.00 C ATOM 0 HA PRO B 28 -3.404 -6.506 -15.787 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -0.858 -6.587 -14.125 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -1.839 -7.930 -14.675 1.00 0.00 H new ATOM 0 HG2 PRO B 28 0.454 -7.405 -15.990 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -0.966 -7.810 -16.933 1.00 0.00 H new ATOM 0 HD2 PRO B 28 0.176 -5.045 -16.328 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -0.420 -5.658 -17.858 1.00 0.00 H new ATOM 745 N LYS B 29 -4.149 -5.643 -13.609 1.00 0.00 N ATOM 746 CA LYS B 29 -4.842 -5.017 -12.467 1.00 0.00 C ATOM 747 C LYS B 29 -5.544 -6.053 -11.574 1.00 0.00 C ATOM 748 O LYS B 29 -5.839 -7.162 -12.027 1.00 0.00 O ATOM 749 CB LYS B 29 -5.824 -3.936 -12.973 1.00 0.00 C ATOM 750 CG LYS B 29 -6.926 -4.472 -13.909 1.00 0.00 C ATOM 751 CD LYS B 29 -7.858 -3.369 -14.436 1.00 0.00 C ATOM 752 CE LYS B 29 -8.702 -2.732 -13.323 1.00 0.00 C ATOM 753 NZ LYS B 29 -9.658 -1.731 -13.867 1.00 0.00 N1+ ATOM 0 H LYS B 29 -4.594 -6.512 -13.904 1.00 0.00 H new ATOM 0 HA LYS B 29 -4.092 -4.536 -11.839 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -6.294 -3.457 -12.114 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -5.260 -3.166 -13.498 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -6.461 -4.981 -14.753 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -7.518 -5.215 -13.375 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -7.263 -2.597 -14.923 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -8.519 -3.788 -15.194 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -9.251 -3.509 -12.792 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -8.046 -2.252 -12.597 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.212 -1.321 -13.088 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -9.132 -0.977 -14.353 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -10.300 -2.195 -14.541 1.00 0.00 H new ATOM 767 N THR B 30 -5.818 -5.657 -10.324 1.00 0.00 N ATOM 768 CA THR B 30 -6.477 -6.431 -9.242 1.00 0.00 C ATOM 769 C THR B 30 -5.978 -7.886 -9.108 1.00 0.00 C ATOM 770 O THR B 30 -6.677 -8.867 -9.453 1.00 0.00 O ATOM 771 CB THR B 30 -8.003 -6.214 -9.238 1.00 0.00 C ATOM 772 OG1 THR B 30 -8.555 -6.764 -8.061 1.00 0.00 O ATOM 773 CG2 THR B 30 -8.785 -6.712 -10.459 1.00 0.00 C ATOM 774 OXT THR B 30 -4.826 -8.041 -8.635 1.00 0.00 O1- ATOM 0 H THR B 30 -5.570 -4.719 -10.010 1.00 0.00 H new ATOM 0 HA THR B 30 -6.145 -6.014 -8.291 1.00 0.00 H new ATOM 0 HB THR B 30 -8.116 -5.131 -9.282 1.00 0.00 H new ATOM 0 HG1 THR B 30 -9.525 -6.624 -8.058 1.00 0.00 H new ATOM 0 HG21 THR B 30 -9.845 -6.496 -10.325 1.00 0.00 H new ATOM 0 HG22 THR B 30 -8.422 -6.207 -11.354 1.00 0.00 H new ATOM 0 HG23 THR B 30 -8.645 -7.788 -10.567 1.00 0.00 H new TER 782 THR B 30