USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 377 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 180:sc= 0 USER MOD Set 1.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -170:sc= 1.18 (180deg=0.992) USER MOD Single : A 5 GLN : amide:sc= 0.865 K(o=0.87,f=0) USER MOD Single : A 8 THR OG1 : rot 36:sc= 0.0891 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0137 USER MOD Single : A 15 GLN : amide:sc= 0.544 K(o=0.54,f=-4.7!) USER MOD Single : A 18 ASN : amide:sc= 0.71 K(o=0.71,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.41 K(o=0.41,f=-0.84) USER MOD Single : B 1 PHE N :NH3+ -153:sc= 0.496 (180deg=-0.134) USER MOD Single : B 3 ASN : amide:sc= -0.0594 X(o=-0.059,f=-0.53) USER MOD Single : B 4 GLN : amide:sc= 0.625 K(o=0.62,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.0119 K(o=-0.012,f=-2) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.0864 K(o=-0.086,f=-3!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 HIS : no HD1:sc= -1.15 X(o=-1.2,f=-0.98) USER MOD Single : B 26 TYR OH : rot 130:sc= 0 USER MOD Single : B 27 THR OG1 : rot 46:sc= 0.104 USER MOD Single : B 29 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.72) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.792 3.257 -0.145 1.00 0.00 N ATOM 2 CA GLY A 1 -10.711 2.287 0.137 1.00 0.00 C ATOM 3 C GLY A 1 -9.361 2.753 -0.391 1.00 0.00 C ATOM 4 O GLY A 1 -9.232 3.854 -0.928 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.650 2.982 0.375 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.494 4.207 0.157 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.994 3.265 -1.165 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.642 2.127 1.213 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.962 1.326 -0.313 1.00 0.00 H new ATOM 10 N ILE A 2 -8.321 1.930 -0.213 1.00 0.00 N ATOM 11 CA ILE A 2 -6.916 2.279 -0.526 1.00 0.00 C ATOM 12 C ILE A 2 -6.518 1.998 -1.985 1.00 0.00 C ATOM 13 O ILE A 2 -6.016 2.895 -2.662 1.00 0.00 O ATOM 14 CB ILE A 2 -5.970 1.609 0.502 1.00 0.00 C ATOM 15 CG1 ILE A 2 -4.521 2.107 0.296 1.00 0.00 C ATOM 16 CG2 ILE A 2 -6.060 0.067 0.523 1.00 0.00 C ATOM 17 CD1 ILE A 2 -3.523 1.465 1.257 1.00 0.00 C ATOM 0 H ILE A 2 -8.426 0.986 0.158 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.815 3.360 -0.432 1.00 0.00 H new ATOM 0 HB ILE A 2 -6.309 1.917 1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.214 1.899 -0.729 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -4.494 3.189 0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.368 -0.328 1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -7.076 -0.235 0.776 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.799 -0.326 -0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.525 1.857 1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -3.807 1.695 2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.523 0.384 1.114 1.00 0.00 H new ATOM 29 N VAL A 3 -6.745 0.786 -2.496 1.00 0.00 N ATOM 30 CA VAL A 3 -6.180 0.351 -3.794 1.00 0.00 C ATOM 31 C VAL A 3 -6.782 1.110 -4.985 1.00 0.00 C ATOM 32 O VAL A 3 -6.095 1.328 -5.977 1.00 0.00 O ATOM 33 CB VAL A 3 -6.267 -1.184 -3.974 1.00 0.00 C ATOM 34 CG1 VAL A 3 -7.702 -1.692 -4.190 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.351 -1.679 -5.108 1.00 0.00 C ATOM 0 H VAL A 3 -7.318 0.079 -2.035 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.122 0.611 -3.774 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.917 -1.605 -3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.690 -2.775 -4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.315 -1.428 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.119 -1.233 -5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.441 -2.761 -5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.645 -1.207 -6.046 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.317 -1.419 -4.880 1.00 0.00 H new ATOM 45 N GLU A 4 -8.022 1.597 -4.861 1.00 0.00 N ATOM 46 CA GLU A 4 -8.660 2.469 -5.858 1.00 0.00 C ATOM 47 C GLU A 4 -7.997 3.859 -5.972 1.00 0.00 C ATOM 48 O GLU A 4 -8.239 4.576 -6.946 1.00 0.00 O ATOM 49 CB GLU A 4 -10.165 2.591 -5.563 1.00 0.00 C ATOM 50 CG GLU A 4 -10.473 3.430 -4.316 1.00 0.00 C ATOM 51 CD GLU A 4 -11.966 3.397 -3.964 1.00 0.00 C ATOM 52 OE1 GLU A 4 -12.796 3.930 -4.739 1.00 0.00 O1- ATOM 53 OE2 GLU A 4 -12.311 2.855 -2.887 1.00 0.00 O ATOM 0 H GLU A 4 -8.618 1.396 -4.058 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.520 1.997 -6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.662 3.037 -6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.585 1.593 -5.434 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.892 3.056 -3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.162 4.461 -4.485 1.00 0.00 H new ATOM 60 N GLN A 5 -7.164 4.246 -4.996 1.00 0.00 N ATOM 61 CA GLN A 5 -6.362 5.469 -5.036 1.00 0.00 C ATOM 62 C GLN A 5 -4.959 5.153 -5.570 1.00 0.00 C ATOM 63 O GLN A 5 -4.559 5.713 -6.588 1.00 0.00 O ATOM 64 CB GLN A 5 -6.294 6.116 -3.639 1.00 0.00 C ATOM 65 CG GLN A 5 -7.672 6.550 -3.114 1.00 0.00 C ATOM 66 CD GLN A 5 -7.573 7.163 -1.715 1.00 0.00 C ATOM 67 OE1 GLN A 5 -7.134 8.292 -1.528 1.00 0.00 O ATOM 68 NE2 GLN A 5 -7.960 6.446 -0.678 1.00 0.00 N ATOM 0 H GLN A 5 -7.029 3.705 -4.142 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.834 6.184 -5.710 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.850 5.409 -2.938 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.635 6.984 -3.677 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.112 7.275 -3.799 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.340 5.689 -3.089 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.328 5.505 -0.817 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.892 6.833 0.263 1.00 0.00 H new ATOM 77 N CYS A 6 -4.217 4.240 -4.927 1.00 0.00 N ATOM 78 CA CYS A 6 -2.817 3.946 -5.287 1.00 0.00 C ATOM 79 C CYS A 6 -2.655 3.247 -6.647 1.00 0.00 C ATOM 80 O CYS A 6 -1.618 3.389 -7.301 1.00 0.00 O ATOM 81 CB CYS A 6 -2.164 3.128 -4.168 1.00 0.00 C ATOM 82 SG CYS A 6 -2.235 3.896 -2.526 1.00 0.00 S ATOM 0 H CYS A 6 -4.566 3.685 -4.146 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.310 4.905 -5.396 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.649 2.153 -4.119 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.120 2.952 -4.427 1.00 0.00 H new ATOM 87 N CYS A 7 -3.692 2.551 -7.117 1.00 0.00 N ATOM 88 CA CYS A 7 -3.800 2.024 -8.478 1.00 0.00 C ATOM 89 C CYS A 7 -4.765 2.902 -9.312 1.00 0.00 C ATOM 90 O CYS A 7 -5.969 2.640 -9.349 1.00 0.00 O ATOM 91 CB CYS A 7 -4.233 0.553 -8.402 1.00 0.00 C ATOM 92 SG CYS A 7 -3.797 -0.406 -9.871 1.00 0.00 S ATOM 0 H CYS A 7 -4.506 2.332 -6.542 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.838 2.060 -8.988 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.773 0.092 -7.528 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.312 0.508 -8.256 1.00 0.00 H new ATOM 97 N THR A 8 -4.309 3.976 -9.974 1.00 0.00 N ATOM 98 CA THR A 8 -2.926 4.472 -10.130 1.00 0.00 C ATOM 99 C THR A 8 -2.751 5.865 -9.518 1.00 0.00 C ATOM 100 O THR A 8 -3.338 6.841 -9.982 1.00 0.00 O ATOM 101 CB THR A 8 -2.529 4.484 -11.615 1.00 0.00 C ATOM 102 OG1 THR A 8 -3.526 5.110 -12.397 1.00 0.00 O ATOM 103 CG2 THR A 8 -2.340 3.059 -12.143 1.00 0.00 C ATOM 0 H THR A 8 -4.965 4.584 -10.465 1.00 0.00 H new ATOM 0 HA THR A 8 -2.267 3.792 -9.591 1.00 0.00 H new ATOM 0 HB THR A 8 -1.592 5.036 -11.691 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.923 5.849 -11.890 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.060 3.095 -13.196 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.554 2.562 -11.575 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.272 2.504 -12.035 1.00 0.00 H new ATOM 111 N SER A 9 -1.886 5.956 -8.511 1.00 0.00 N ATOM 112 CA SER A 9 -1.360 7.191 -7.913 1.00 0.00 C ATOM 113 C SER A 9 -0.085 6.895 -7.097 1.00 0.00 C ATOM 114 O SER A 9 0.219 5.741 -6.792 1.00 0.00 O ATOM 115 CB SER A 9 -2.411 7.906 -7.049 1.00 0.00 C ATOM 116 OG SER A 9 -1.975 9.222 -6.723 1.00 0.00 O ATOM 0 H SER A 9 -1.508 5.123 -8.060 1.00 0.00 H new ATOM 0 HA SER A 9 -1.104 7.867 -8.729 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.360 7.953 -7.584 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.587 7.338 -6.136 1.00 0.00 H new ATOM 0 HG SER A 9 -2.655 9.665 -6.174 1.00 0.00 H new ATOM 122 N ILE A 10 0.680 7.936 -6.754 1.00 0.00 N ATOM 123 CA ILE A 10 2.080 7.835 -6.298 1.00 0.00 C ATOM 124 C ILE A 10 2.258 7.225 -4.893 1.00 0.00 C ATOM 125 O ILE A 10 3.317 6.652 -4.630 1.00 0.00 O ATOM 126 CB ILE A 10 2.744 9.229 -6.455 1.00 0.00 C ATOM 127 CG1 ILE A 10 2.893 9.632 -7.945 1.00 0.00 C ATOM 128 CG2 ILE A 10 4.109 9.354 -5.757 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.788 8.711 -8.788 1.00 0.00 C ATOM 0 H ILE A 10 0.340 8.897 -6.785 1.00 0.00 H new ATOM 0 HA ILE A 10 2.593 7.112 -6.932 1.00 0.00 H new ATOM 0 HB ILE A 10 2.060 9.915 -5.955 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.902 9.661 -8.397 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.295 10.644 -7.992 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.507 10.357 -5.913 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.989 9.174 -4.689 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.799 8.621 -6.174 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.826 9.079 -9.813 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.794 8.699 -8.369 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.380 7.700 -8.781 1.00 0.00 H new ATOM 141 N CYS A 11 1.240 7.321 -4.023 1.00 0.00 N ATOM 142 CA CYS A 11 1.176 6.780 -2.648 1.00 0.00 C ATOM 143 C CYS A 11 2.541 6.602 -1.951 1.00 0.00 C ATOM 144 O CYS A 11 3.062 5.493 -1.821 1.00 0.00 O ATOM 145 CB CYS A 11 0.346 5.490 -2.634 1.00 0.00 C ATOM 146 SG CYS A 11 -1.437 5.752 -2.812 1.00 0.00 S ATOM 0 H CYS A 11 0.381 7.810 -4.274 1.00 0.00 H new ATOM 0 HA CYS A 11 0.678 7.540 -2.045 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.689 4.842 -3.441 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.533 4.961 -1.699 1.00 0.00 H new ATOM 151 N SER A 12 3.126 7.708 -1.500 1.00 0.00 N ATOM 152 CA SER A 12 4.454 7.729 -0.870 1.00 0.00 C ATOM 153 C SER A 12 4.443 7.228 0.587 1.00 0.00 C ATOM 154 O SER A 12 3.386 7.076 1.199 1.00 0.00 O ATOM 155 CB SER A 12 5.018 9.153 -0.920 1.00 0.00 C ATOM 156 OG SER A 12 5.115 9.638 -2.251 1.00 0.00 O ATOM 0 H SER A 12 2.691 8.629 -1.560 1.00 0.00 H new ATOM 0 HA SER A 12 5.085 7.042 -1.434 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.379 9.817 -0.337 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.004 9.170 -0.455 1.00 0.00 H new ATOM 0 HG SER A 12 5.477 10.549 -2.242 1.00 0.00 H new ATOM 162 N LEU A 13 5.624 7.014 1.184 1.00 0.00 N ATOM 163 CA LEU A 13 5.792 6.489 2.551 1.00 0.00 C ATOM 164 C LEU A 13 4.928 7.178 3.620 1.00 0.00 C ATOM 165 O LEU A 13 4.288 6.511 4.429 1.00 0.00 O ATOM 166 CB LEU A 13 7.292 6.494 2.909 1.00 0.00 C ATOM 167 CG LEU A 13 7.996 7.874 2.961 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.136 8.390 4.403 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.396 7.787 2.335 1.00 0.00 C ATOM 0 H LEU A 13 6.512 7.205 0.720 1.00 0.00 H new ATOM 0 HA LEU A 13 5.416 5.466 2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.410 6.016 3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.816 5.873 2.183 1.00 0.00 H new ATOM 0 HG LEU A 13 7.373 8.568 2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.634 9.359 4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.147 8.494 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.726 7.683 4.987 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.876 8.765 2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.996 7.062 2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.311 7.472 1.295 1.00 0.00 H new ATOM 181 N TYR A 14 4.844 8.508 3.595 1.00 0.00 N ATOM 182 CA TYR A 14 4.082 9.293 4.576 1.00 0.00 C ATOM 183 C TYR A 14 2.554 9.192 4.396 1.00 0.00 C ATOM 184 O TYR A 14 1.799 9.413 5.342 1.00 0.00 O ATOM 185 CB TYR A 14 4.542 10.755 4.507 1.00 0.00 C ATOM 186 CG TYR A 14 4.648 11.325 3.106 1.00 0.00 C ATOM 187 CD1 TYR A 14 3.495 11.779 2.445 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.890 11.334 2.440 1.00 0.00 C ATOM 189 CE1 TYR A 14 3.567 12.216 1.111 1.00 0.00 C ATOM 190 CE2 TYR A 14 5.978 11.801 1.117 1.00 0.00 C ATOM 191 CZ TYR A 14 4.815 12.256 0.448 1.00 0.00 C ATOM 192 OH TYR A 14 4.890 12.703 -0.836 1.00 0.00 O ATOM 0 H TYR A 14 5.306 9.080 2.888 1.00 0.00 H new ATOM 0 HA TYR A 14 4.287 8.874 5.561 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.846 11.367 5.081 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.515 10.838 4.992 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.548 11.792 2.964 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.776 10.981 2.947 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.670 12.521 0.593 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.932 11.813 0.611 1.00 0.00 H new ATOM 0 HH TYR A 14 5.820 12.666 -1.141 1.00 0.00 H new ATOM 202 N GLN A 15 2.099 8.840 3.192 1.00 0.00 N ATOM 203 CA GLN A 15 0.702 8.540 2.870 1.00 0.00 C ATOM 204 C GLN A 15 0.387 7.084 3.243 1.00 0.00 C ATOM 205 O GLN A 15 -0.619 6.835 3.902 1.00 0.00 O ATOM 206 CB GLN A 15 0.489 8.798 1.366 1.00 0.00 C ATOM 207 CG GLN A 15 0.353 10.281 0.994 1.00 0.00 C ATOM 208 CD GLN A 15 0.442 10.522 -0.519 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.213 9.901 -1.242 1.00 0.00 O ATOM 210 NE2 GLN A 15 -0.336 11.436 -1.063 1.00 0.00 N ATOM 0 H GLN A 15 2.716 8.753 2.384 1.00 0.00 H new ATOM 0 HA GLN A 15 0.026 9.178 3.439 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.327 8.372 0.814 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.408 8.270 1.042 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.601 10.658 1.362 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.136 10.850 1.495 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.985 11.965 -0.481 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.289 11.614 -2.066 1.00 0.00 H new ATOM 219 N LEU A 16 1.269 6.136 2.906 1.00 0.00 N ATOM 220 CA LEU A 16 1.150 4.710 3.228 1.00 0.00 C ATOM 221 C LEU A 16 1.143 4.419 4.737 1.00 0.00 C ATOM 222 O LEU A 16 0.478 3.480 5.174 1.00 0.00 O ATOM 223 CB LEU A 16 2.325 3.981 2.563 1.00 0.00 C ATOM 224 CG LEU A 16 2.226 3.831 1.035 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.562 3.293 0.513 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.116 2.866 0.613 1.00 0.00 C ATOM 0 H LEU A 16 2.117 6.350 2.382 1.00 0.00 H new ATOM 0 HA LEU A 16 0.189 4.359 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.244 4.516 2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.412 2.988 3.004 1.00 0.00 H new ATOM 0 HG LEU A 16 1.992 4.811 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.511 3.180 -0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.360 3.991 0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.768 2.325 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.089 2.796 -0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.311 1.880 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.157 3.233 0.977 1.00 0.00 H new ATOM 238 N GLU A 17 1.848 5.219 5.541 1.00 0.00 N ATOM 239 CA GLU A 17 1.892 5.060 7.000 1.00 0.00 C ATOM 240 C GLU A 17 0.502 5.175 7.653 1.00 0.00 C ATOM 241 O GLU A 17 0.245 4.572 8.693 1.00 0.00 O ATOM 242 CB GLU A 17 2.857 6.097 7.592 1.00 0.00 C ATOM 243 CG GLU A 17 3.256 5.761 9.035 1.00 0.00 C ATOM 244 CD GLU A 17 4.301 6.754 9.564 1.00 0.00 C ATOM 245 OE1 GLU A 17 3.919 7.867 9.998 1.00 0.00 O1- ATOM 246 OE2 GLU A 17 5.511 6.425 9.567 1.00 0.00 O ATOM 0 H GLU A 17 2.408 6.000 5.198 1.00 0.00 H new ATOM 0 HA GLU A 17 2.249 4.053 7.216 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.752 6.152 6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.390 7.082 7.566 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.373 5.782 9.674 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.657 4.748 9.079 1.00 0.00 H new ATOM 253 N ASN A 18 -0.433 5.890 7.021 1.00 0.00 N ATOM 254 CA ASN A 18 -1.819 6.014 7.492 1.00 0.00 C ATOM 255 C ASN A 18 -2.600 4.682 7.510 1.00 0.00 C ATOM 256 O ASN A 18 -3.626 4.585 8.185 1.00 0.00 O ATOM 257 CB ASN A 18 -2.557 7.049 6.634 1.00 0.00 C ATOM 258 CG ASN A 18 -1.993 8.451 6.811 1.00 0.00 C ATOM 259 OD1 ASN A 18 -2.264 9.140 7.788 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.179 8.896 5.877 1.00 0.00 N ATOM 0 H ASN A 18 -0.249 6.405 6.160 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.767 6.340 8.531 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.490 6.762 5.585 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.615 7.049 6.898 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.765 9.825 5.961 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.962 8.312 5.069 1.00 0.00 H new ATOM 267 N TYR A 19 -2.120 3.653 6.802 1.00 0.00 N ATOM 268 CA TYR A 19 -2.711 2.306 6.763 1.00 0.00 C ATOM 269 C TYR A 19 -1.866 1.263 7.533 1.00 0.00 C ATOM 270 O TYR A 19 -2.143 0.062 7.483 1.00 0.00 O ATOM 271 CB TYR A 19 -2.946 1.900 5.299 1.00 0.00 C ATOM 272 CG TYR A 19 -3.475 3.006 4.400 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.850 3.304 4.332 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.567 3.738 3.615 1.00 0.00 C ATOM 275 CE1 TYR A 19 -5.306 4.336 3.486 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.007 4.774 2.774 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.387 5.077 2.707 1.00 0.00 C ATOM 278 OH TYR A 19 -4.836 6.070 1.889 1.00 0.00 O ATOM 0 H TYR A 19 -1.285 3.735 6.222 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.670 2.333 7.280 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.007 1.534 4.884 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.650 1.068 5.277 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.555 2.742 4.927 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.514 3.500 3.659 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.361 4.561 3.433 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.297 5.334 2.184 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.076 6.480 1.425 1.00 0.00 H new ATOM 288 N CYS A 20 -0.827 1.714 8.248 1.00 0.00 N ATOM 289 CA CYS A 20 0.023 0.882 9.111 1.00 0.00 C ATOM 290 C CYS A 20 -0.725 0.454 10.388 1.00 0.00 C ATOM 291 O CYS A 20 -1.444 1.258 10.989 1.00 0.00 O ATOM 292 CB CYS A 20 1.296 1.679 9.437 1.00 0.00 C ATOM 293 SG CYS A 20 2.539 0.911 10.509 1.00 0.00 S ATOM 0 H CYS A 20 -0.546 2.695 8.242 1.00 0.00 H new ATOM 0 HA CYS A 20 0.292 -0.039 8.593 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.781 1.932 8.494 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.991 2.617 9.900 1.00 0.00 H new ATOM 298 N ASN A 21 -0.549 -0.795 10.832 1.00 0.00 N ATOM 299 CA ASN A 21 -1.143 -1.295 12.082 1.00 0.00 C ATOM 300 C ASN A 21 -0.602 -0.533 13.309 1.00 0.00 C ATOM 301 O ASN A 21 0.595 -0.590 13.625 1.00 0.00 O ATOM 302 CB ASN A 21 -0.901 -2.809 12.232 1.00 0.00 C ATOM 303 CG ASN A 21 -1.748 -3.689 11.312 1.00 0.00 C ATOM 304 OD1 ASN A 21 -2.729 -3.268 10.710 1.00 0.00 O ATOM 305 ND2 ASN A 21 -1.400 -4.959 11.202 1.00 0.00 N ATOM 0 H ASN A 21 0.009 -1.490 10.336 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.218 -1.119 12.031 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.152 -3.015 12.040 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.098 -3.093 13.266 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.948 -5.589 10.616 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.584 -5.309 11.703 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 10.776 0.295 -2.611 1.00 0.00 N ATOM 314 CA PHE B 1 9.734 0.080 -3.620 1.00 0.00 C ATOM 315 C PHE B 1 9.544 1.281 -4.562 1.00 0.00 C ATOM 316 O PHE B 1 9.008 1.113 -5.656 1.00 0.00 O ATOM 317 CB PHE B 1 8.422 -0.302 -2.924 1.00 0.00 C ATOM 318 CG PHE B 1 7.887 0.759 -1.988 1.00 0.00 C ATOM 319 CD1 PHE B 1 7.031 1.764 -2.468 1.00 0.00 C ATOM 320 CD2 PHE B 1 8.268 0.749 -0.637 1.00 0.00 C ATOM 321 CE1 PHE B 1 6.530 2.743 -1.588 1.00 0.00 C ATOM 322 CE2 PHE B 1 7.761 1.713 0.247 1.00 0.00 C ATOM 323 CZ PHE B 1 6.883 2.705 -0.227 1.00 0.00 C ATOM 0 H1 PHE B 1 11.177 -0.621 -2.326 1.00 0.00 H new ATOM 0 H2 PHE B 1 11.528 0.893 -3.010 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.363 0.766 -1.781 1.00 0.00 H new ATOM 0 HA PHE B 1 10.059 -0.740 -4.260 1.00 0.00 H new ATOM 0 HB2 PHE B 1 7.669 -0.515 -3.683 1.00 0.00 H new ATOM 0 HB3 PHE B 1 8.576 -1.223 -2.362 1.00 0.00 H new ATOM 0 HD1 PHE B 1 6.757 1.786 -3.512 1.00 0.00 H new ATOM 0 HD2 PHE B 1 8.954 -0.004 -0.277 1.00 0.00 H new ATOM 0 HE1 PHE B 1 5.877 3.520 -1.957 1.00 0.00 H new ATOM 0 HE2 PHE B 1 8.044 1.694 1.289 1.00 0.00 H new ATOM 0 HZ PHE B 1 6.479 3.438 0.455 1.00 0.00 H new ATOM 333 N VAL B 2 9.993 2.470 -4.142 1.00 0.00 N ATOM 334 CA VAL B 2 10.006 3.756 -4.877 1.00 0.00 C ATOM 335 C VAL B 2 8.598 4.374 -4.966 1.00 0.00 C ATOM 336 O VAL B 2 7.605 3.679 -5.173 1.00 0.00 O ATOM 337 CB VAL B 2 10.663 3.654 -6.284 1.00 0.00 C ATOM 338 CG1 VAL B 2 10.809 5.029 -6.962 1.00 0.00 C ATOM 339 CG2 VAL B 2 12.066 3.021 -6.205 1.00 0.00 C ATOM 0 H VAL B 2 10.389 2.574 -3.208 1.00 0.00 H new ATOM 0 HA VAL B 2 10.636 4.426 -4.291 1.00 0.00 H new ATOM 0 HB VAL B 2 9.995 3.027 -6.874 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.272 4.905 -7.941 1.00 0.00 H new ATOM 0 HG12 VAL B 2 9.825 5.482 -7.081 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.433 5.675 -6.344 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.497 2.965 -7.205 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.706 3.632 -5.568 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.989 2.018 -5.786 1.00 0.00 H new ATOM 349 N ASN B 3 8.511 5.702 -4.841 1.00 0.00 N ATOM 350 CA ASN B 3 7.272 6.467 -5.035 1.00 0.00 C ATOM 351 C ASN B 3 6.880 6.472 -6.528 1.00 0.00 C ATOM 352 O ASN B 3 7.558 7.081 -7.360 1.00 0.00 O ATOM 353 CB ASN B 3 7.460 7.882 -4.460 1.00 0.00 C ATOM 354 CG ASN B 3 7.898 7.890 -2.993 1.00 0.00 C ATOM 355 OD1 ASN B 3 7.465 7.091 -2.170 1.00 0.00 O ATOM 356 ND2 ASN B 3 8.800 8.784 -2.624 1.00 0.00 N ATOM 0 H ASN B 3 9.311 6.286 -4.598 1.00 0.00 H new ATOM 0 HA ASN B 3 6.446 6.000 -4.499 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.203 8.412 -5.056 1.00 0.00 H new ATOM 0 HB3 ASN B 3 6.524 8.432 -4.555 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.131 8.806 -1.660 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.164 9.451 -3.304 1.00 0.00 H new ATOM 363 N GLN B 4 5.801 5.765 -6.872 1.00 0.00 N ATOM 364 CA GLN B 4 5.358 5.461 -8.240 1.00 0.00 C ATOM 365 C GLN B 4 3.906 4.952 -8.214 1.00 0.00 C ATOM 366 O GLN B 4 3.353 4.737 -7.140 1.00 0.00 O ATOM 367 CB GLN B 4 6.307 4.447 -8.918 1.00 0.00 C ATOM 368 CG GLN B 4 6.224 3.014 -8.358 1.00 0.00 C ATOM 369 CD GLN B 4 7.185 2.064 -9.074 1.00 0.00 C ATOM 370 OE1 GLN B 4 7.122 1.861 -10.282 1.00 0.00 O ATOM 371 NE2 GLN B 4 8.124 1.452 -8.382 1.00 0.00 N ATOM 0 H GLN B 4 5.178 5.367 -6.169 1.00 0.00 H new ATOM 0 HA GLN B 4 5.391 6.373 -8.835 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.085 4.419 -9.985 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.332 4.804 -8.815 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.453 3.027 -7.293 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.204 2.643 -8.460 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.197 1.604 -7.376 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.778 0.826 -8.852 1.00 0.00 H new ATOM 380 N HIS B 5 3.286 4.715 -9.372 1.00 0.00 N ATOM 381 CA HIS B 5 1.951 4.098 -9.447 1.00 0.00 C ATOM 382 C HIS B 5 1.984 2.620 -8.986 1.00 0.00 C ATOM 383 O HIS B 5 2.834 1.843 -9.433 1.00 0.00 O ATOM 384 CB HIS B 5 1.397 4.283 -10.864 1.00 0.00 C ATOM 385 CG HIS B 5 1.311 5.735 -11.260 1.00 0.00 C ATOM 386 ND1 HIS B 5 0.362 6.646 -10.793 1.00 0.00 N ATOM 387 CD2 HIS B 5 2.189 6.392 -12.070 1.00 0.00 C ATOM 388 CE1 HIS B 5 0.687 7.826 -11.344 1.00 0.00 C ATOM 389 NE2 HIS B 5 1.780 7.706 -12.117 1.00 0.00 N ATOM 0 H HIS B 5 3.688 4.942 -10.281 1.00 0.00 H new ATOM 0 HA HIS B 5 1.271 4.596 -8.756 1.00 0.00 H new ATOM 0 HB2 HIS B 5 2.033 3.753 -11.573 1.00 0.00 H new ATOM 0 HB3 HIS B 5 0.406 3.833 -10.926 1.00 0.00 H new ATOM 0 HD2 HIS B 5 3.041 5.964 -12.577 1.00 0.00 H new ATOM 0 HE1 HIS B 5 0.144 8.746 -11.188 1.00 0.00 H new ATOM 0 HE2 HIS B 5 2.227 8.455 -12.645 1.00 0.00 H new ATOM 397 N LEU B 6 1.098 2.237 -8.055 1.00 0.00 N ATOM 398 CA LEU B 6 1.413 1.227 -7.032 1.00 0.00 C ATOM 399 C LEU B 6 0.165 0.398 -6.680 1.00 0.00 C ATOM 400 O LEU B 6 -0.744 0.848 -5.985 1.00 0.00 O ATOM 401 CB LEU B 6 2.075 2.033 -5.891 1.00 0.00 C ATOM 402 CG LEU B 6 2.487 1.360 -4.571 1.00 0.00 C ATOM 403 CD1 LEU B 6 3.758 2.043 -4.039 1.00 0.00 C ATOM 404 CD2 LEU B 6 1.405 1.516 -3.499 1.00 0.00 C ATOM 0 H LEU B 6 0.152 2.614 -7.989 1.00 0.00 H new ATOM 0 HA LEU B 6 2.107 0.449 -7.348 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.972 2.493 -6.306 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.391 2.842 -5.635 1.00 0.00 H new ATOM 0 HG LEU B 6 2.646 0.301 -4.773 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.059 1.573 -3.103 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.560 1.940 -4.770 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.558 3.100 -3.866 1.00 0.00 H new ATOM 0 HD21 LEU B 6 1.730 1.028 -2.580 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.233 2.575 -3.307 1.00 0.00 H new ATOM 0 HD23 LEU B 6 0.480 1.056 -3.846 1.00 0.00 H new ATOM 416 N CYS B 7 0.108 -0.823 -7.221 1.00 0.00 N ATOM 417 CA CYS B 7 -1.087 -1.683 -7.259 1.00 0.00 C ATOM 418 C CYS B 7 -0.854 -3.035 -6.565 1.00 0.00 C ATOM 419 O CYS B 7 0.218 -3.623 -6.718 1.00 0.00 O ATOM 420 CB CYS B 7 -1.436 -1.954 -8.733 1.00 0.00 C ATOM 421 SG CYS B 7 -1.762 -0.508 -9.781 1.00 0.00 S ATOM 0 H CYS B 7 0.919 -1.258 -7.661 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.891 -1.168 -6.734 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.615 -2.517 -9.178 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.315 -2.598 -8.760 1.00 0.00 H new ATOM 426 N GLY B 8 -1.866 -3.564 -5.862 1.00 0.00 N ATOM 427 CA GLY B 8 -1.945 -4.975 -5.444 1.00 0.00 C ATOM 428 C GLY B 8 -0.735 -5.458 -4.644 1.00 0.00 C ATOM 429 O GLY B 8 -0.473 -4.979 -3.541 1.00 0.00 O ATOM 0 H GLY B 8 -2.670 -3.013 -5.561 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -2.844 -5.115 -4.843 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.054 -5.600 -6.330 1.00 0.00 H new ATOM 433 N SER B 9 0.017 -6.404 -5.203 1.00 0.00 N ATOM 434 CA SER B 9 1.268 -6.911 -4.620 1.00 0.00 C ATOM 435 C SER B 9 2.253 -5.778 -4.290 1.00 0.00 C ATOM 436 O SER B 9 2.724 -5.691 -3.160 1.00 0.00 O ATOM 437 CB SER B 9 1.926 -7.914 -5.581 1.00 0.00 C ATOM 438 OG SER B 9 1.028 -8.967 -5.919 1.00 0.00 O ATOM 0 H SER B 9 -0.225 -6.850 -6.088 1.00 0.00 H new ATOM 0 HA SER B 9 1.015 -7.409 -3.684 1.00 0.00 H new ATOM 0 HB2 SER B 9 2.244 -7.399 -6.487 1.00 0.00 H new ATOM 0 HB3 SER B 9 2.822 -8.330 -5.120 1.00 0.00 H new ATOM 0 HG SER B 9 1.471 -9.590 -6.532 1.00 0.00 H new ATOM 444 N HIS B 10 2.499 -4.840 -5.212 1.00 0.00 N ATOM 445 CA HIS B 10 3.340 -3.658 -4.974 1.00 0.00 C ATOM 446 C HIS B 10 2.841 -2.814 -3.785 1.00 0.00 C ATOM 447 O HIS B 10 3.645 -2.348 -2.982 1.00 0.00 O ATOM 448 CB HIS B 10 3.399 -2.800 -6.248 1.00 0.00 C ATOM 449 CG HIS B 10 4.659 -1.985 -6.347 1.00 0.00 C ATOM 450 ND1 HIS B 10 4.828 -0.699 -5.838 1.00 0.00 N ATOM 451 CD2 HIS B 10 5.813 -2.374 -6.957 1.00 0.00 C ATOM 452 CE1 HIS B 10 6.084 -0.345 -6.148 1.00 0.00 C ATOM 453 NE2 HIS B 10 6.704 -1.331 -6.820 1.00 0.00 N ATOM 0 H HIS B 10 2.116 -4.880 -6.156 1.00 0.00 H new ATOM 0 HA HIS B 10 4.340 -4.010 -4.718 1.00 0.00 H new ATOM 0 HB2 HIS B 10 3.322 -3.449 -7.121 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.538 -2.132 -6.271 1.00 0.00 H new ATOM 0 HD2 HIS B 10 5.995 -3.317 -7.452 1.00 0.00 H new ATOM 0 HE1 HIS B 10 6.536 0.602 -5.893 1.00 0.00 H new ATOM 0 HE2 HIS B 10 7.663 -1.311 -7.167 1.00 0.00 H new ATOM 461 N LEU B 11 1.516 -2.670 -3.630 1.00 0.00 N ATOM 462 CA LEU B 11 0.895 -1.985 -2.490 1.00 0.00 C ATOM 463 C LEU B 11 1.108 -2.757 -1.179 1.00 0.00 C ATOM 464 O LEU B 11 1.494 -2.141 -0.191 1.00 0.00 O ATOM 465 CB LEU B 11 -0.587 -1.689 -2.815 1.00 0.00 C ATOM 466 CG LEU B 11 -1.398 -1.012 -1.689 1.00 0.00 C ATOM 467 CD1 LEU B 11 -0.808 0.317 -1.197 1.00 0.00 C ATOM 468 CD2 LEU B 11 -2.826 -0.756 -2.191 1.00 0.00 C ATOM 0 H LEU B 11 0.839 -3.031 -4.302 1.00 0.00 H new ATOM 0 HA LEU B 11 1.385 -1.025 -2.325 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.626 -1.052 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.077 -2.627 -3.077 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.374 -1.697 -0.841 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.439 0.725 -0.407 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.196 0.148 -0.809 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.762 1.024 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -3.408 -0.278 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.793 -0.105 -3.064 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.292 -1.703 -2.462 1.00 0.00 H new ATOM 480 N VAL B 12 0.949 -4.084 -1.165 1.00 0.00 N ATOM 481 CA VAL B 12 1.258 -4.926 0.015 1.00 0.00 C ATOM 482 C VAL B 12 2.739 -4.838 0.403 1.00 0.00 C ATOM 483 O VAL B 12 3.053 -4.662 1.580 1.00 0.00 O ATOM 484 CB VAL B 12 0.879 -6.413 -0.225 1.00 0.00 C ATOM 485 CG1 VAL B 12 1.360 -7.369 0.885 1.00 0.00 C ATOM 486 CG2 VAL B 12 -0.637 -6.592 -0.380 1.00 0.00 C ATOM 0 H VAL B 12 0.603 -4.613 -1.966 1.00 0.00 H new ATOM 0 HA VAL B 12 0.655 -4.536 0.835 1.00 0.00 H new ATOM 0 HB VAL B 12 1.395 -6.676 -1.148 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.057 -8.388 0.644 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.446 -7.322 0.960 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.917 -7.074 1.836 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.864 -7.645 -0.546 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.138 -6.252 0.526 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.987 -6.007 -1.230 1.00 0.00 H new ATOM 496 N GLU B 13 3.639 -4.941 -0.579 1.00 0.00 N ATOM 497 CA GLU B 13 5.091 -4.844 -0.397 1.00 0.00 C ATOM 498 C GLU B 13 5.482 -3.470 0.165 1.00 0.00 C ATOM 499 O GLU B 13 6.240 -3.387 1.129 1.00 0.00 O ATOM 500 CB GLU B 13 5.804 -5.065 -1.743 1.00 0.00 C ATOM 501 CG GLU B 13 5.674 -6.484 -2.317 1.00 0.00 C ATOM 502 CD GLU B 13 6.698 -7.448 -1.698 1.00 0.00 C ATOM 503 OE1 GLU B 13 7.834 -7.545 -2.220 1.00 0.00 O ATOM 504 OE2 GLU B 13 6.370 -8.127 -0.696 1.00 0.00 O1- ATOM 0 H GLU B 13 3.370 -5.099 -1.550 1.00 0.00 H new ATOM 0 HA GLU B 13 5.396 -5.613 0.313 1.00 0.00 H new ATOM 0 HB2 GLU B 13 5.406 -4.357 -2.469 1.00 0.00 H new ATOM 0 HB3 GLU B 13 6.862 -4.834 -1.620 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.667 -6.858 -2.135 1.00 0.00 H new ATOM 0 HG3 GLU B 13 5.812 -6.453 -3.398 1.00 0.00 H new ATOM 511 N ALA B 14 4.931 -2.393 -0.404 1.00 0.00 N ATOM 512 CA ALA B 14 5.160 -1.020 0.023 1.00 0.00 C ATOM 513 C ALA B 14 4.664 -0.773 1.451 1.00 0.00 C ATOM 514 O ALA B 14 5.429 -0.305 2.298 1.00 0.00 O ATOM 515 CB ALA B 14 4.460 -0.105 -0.984 1.00 0.00 C ATOM 0 H ALA B 14 4.295 -2.461 -1.198 1.00 0.00 H new ATOM 0 HA ALA B 14 6.229 -0.811 0.045 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.610 0.935 -0.696 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.877 -0.270 -1.977 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.393 -0.327 -0.997 1.00 0.00 H new ATOM 521 N LEU B 15 3.408 -1.136 1.741 1.00 0.00 N ATOM 522 CA LEU B 15 2.828 -1.017 3.077 1.00 0.00 C ATOM 523 C LEU B 15 3.664 -1.760 4.122 1.00 0.00 C ATOM 524 O LEU B 15 3.929 -1.210 5.187 1.00 0.00 O ATOM 525 CB LEU B 15 1.381 -1.532 3.073 1.00 0.00 C ATOM 526 CG LEU B 15 0.343 -0.590 2.451 1.00 0.00 C ATOM 527 CD1 LEU B 15 -0.971 -1.358 2.293 1.00 0.00 C ATOM 528 CD2 LEU B 15 0.112 0.651 3.320 1.00 0.00 C ATOM 0 H LEU B 15 2.766 -1.522 1.049 1.00 0.00 H new ATOM 0 HA LEU B 15 2.827 0.038 3.351 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.353 -2.480 2.535 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.086 -1.740 4.101 1.00 0.00 H new ATOM 0 HG LEU B 15 0.713 -0.249 1.484 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.724 -0.705 1.852 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.813 -2.220 1.644 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.314 -1.698 3.270 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.630 1.294 2.846 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.247 0.345 4.303 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.049 1.198 3.430 1.00 0.00 H new ATOM 540 N TYR B 16 4.147 -2.964 3.806 1.00 0.00 N ATOM 541 CA TYR B 16 5.059 -3.711 4.672 1.00 0.00 C ATOM 542 C TYR B 16 6.429 -3.018 4.840 1.00 0.00 C ATOM 543 O TYR B 16 6.926 -2.934 5.962 1.00 0.00 O ATOM 544 CB TYR B 16 5.204 -5.141 4.137 1.00 0.00 C ATOM 545 CG TYR B 16 6.342 -5.893 4.793 1.00 0.00 C ATOM 546 CD1 TYR B 16 6.270 -6.237 6.158 1.00 0.00 C ATOM 547 CD2 TYR B 16 7.526 -6.128 4.070 1.00 0.00 C ATOM 548 CE1 TYR B 16 7.385 -6.804 6.803 1.00 0.00 C ATOM 549 CE2 TYR B 16 8.647 -6.684 4.711 1.00 0.00 C ATOM 550 CZ TYR B 16 8.581 -7.026 6.081 1.00 0.00 C ATOM 551 OH TYR B 16 9.674 -7.555 6.701 1.00 0.00 O ATOM 0 H TYR B 16 3.915 -3.449 2.939 1.00 0.00 H new ATOM 0 HA TYR B 16 4.628 -3.743 5.673 1.00 0.00 H new ATOM 0 HB2 TYR B 16 4.273 -5.683 4.301 1.00 0.00 H new ATOM 0 HB3 TYR B 16 5.368 -5.108 3.060 1.00 0.00 H new ATOM 0 HD1 TYR B 16 5.358 -6.065 6.710 1.00 0.00 H new ATOM 0 HD2 TYR B 16 7.574 -5.881 3.020 1.00 0.00 H new ATOM 0 HE1 TYR B 16 7.328 -7.069 7.848 1.00 0.00 H new ATOM 0 HE2 TYR B 16 9.559 -6.850 4.157 1.00 0.00 H new ATOM 0 HH TYR B 16 10.407 -7.640 6.056 1.00 0.00 H new ATOM 561 N LEU B 17 7.031 -2.475 3.771 1.00 0.00 N ATOM 562 CA LEU B 17 8.316 -1.761 3.848 1.00 0.00 C ATOM 563 C LEU B 17 8.214 -0.453 4.652 1.00 0.00 C ATOM 564 O LEU B 17 9.140 -0.124 5.393 1.00 0.00 O ATOM 565 CB LEU B 17 8.875 -1.523 2.426 1.00 0.00 C ATOM 566 CG LEU B 17 10.062 -2.442 2.066 1.00 0.00 C ATOM 567 CD1 LEU B 17 9.690 -3.932 2.090 1.00 0.00 C ATOM 568 CD2 LEU B 17 10.607 -2.083 0.678 1.00 0.00 C ATOM 0 H LEU B 17 6.642 -2.518 2.829 1.00 0.00 H new ATOM 0 HA LEU B 17 9.018 -2.391 4.394 1.00 0.00 H new ATOM 0 HB2 LEU B 17 8.076 -1.675 1.701 1.00 0.00 H new ATOM 0 HB3 LEU B 17 9.192 -0.484 2.338 1.00 0.00 H new ATOM 0 HG LEU B 17 10.824 -2.279 2.828 1.00 0.00 H new ATOM 0 HD11 LEU B 17 10.564 -4.529 1.829 1.00 0.00 H new ATOM 0 HD12 LEU B 17 9.348 -4.206 3.088 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.894 -4.120 1.370 1.00 0.00 H new ATOM 0 HD21 LEU B 17 11.444 -2.738 0.435 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.820 -2.209 -0.066 1.00 0.00 H new ATOM 0 HD23 LEU B 17 10.945 -1.047 0.677 1.00 0.00 H new ATOM 580 N VAL B 18 7.091 0.263 4.551 1.00 0.00 N ATOM 581 CA VAL B 18 6.802 1.469 5.352 1.00 0.00 C ATOM 582 C VAL B 18 6.535 1.111 6.819 1.00 0.00 C ATOM 583 O VAL B 18 7.160 1.665 7.722 1.00 0.00 O ATOM 584 CB VAL B 18 5.593 2.240 4.773 1.00 0.00 C ATOM 585 CG1 VAL B 18 5.140 3.426 5.640 1.00 0.00 C ATOM 586 CG2 VAL B 18 5.946 2.782 3.386 1.00 0.00 C ATOM 0 H VAL B 18 6.342 0.022 3.902 1.00 0.00 H new ATOM 0 HA VAL B 18 7.683 2.109 5.306 1.00 0.00 H new ATOM 0 HB VAL B 18 4.773 1.523 4.736 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.288 3.917 5.169 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.851 3.065 6.627 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.959 4.138 5.740 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.093 3.325 2.980 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.800 3.455 3.465 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.197 1.953 2.724 1.00 0.00 H new ATOM 596 N CYS B 19 5.593 0.194 7.058 1.00 0.00 N ATOM 597 CA CYS B 19 5.092 -0.126 8.403 1.00 0.00 C ATOM 598 C CYS B 19 6.034 -1.004 9.249 1.00 0.00 C ATOM 599 O CYS B 19 6.038 -0.895 10.478 1.00 0.00 O ATOM 600 CB CYS B 19 3.728 -0.811 8.254 1.00 0.00 C ATOM 601 SG CYS B 19 2.791 -0.972 9.791 1.00 0.00 S ATOM 0 H CYS B 19 5.151 -0.353 6.319 1.00 0.00 H new ATOM 0 HA CYS B 19 5.018 0.815 8.948 1.00 0.00 H new ATOM 0 HB2 CYS B 19 3.130 -0.248 7.537 1.00 0.00 H new ATOM 0 HB3 CYS B 19 3.880 -1.804 7.831 1.00 0.00 H new ATOM 606 N GLY B 20 6.826 -1.869 8.610 1.00 0.00 N ATOM 607 CA GLY B 20 7.659 -2.888 9.260 1.00 0.00 C ATOM 608 C GLY B 20 6.870 -4.152 9.619 1.00 0.00 C ATOM 609 O GLY B 20 5.774 -4.392 9.107 1.00 0.00 O ATOM 0 H GLY B 20 6.909 -1.881 7.593 1.00 0.00 H new ATOM 0 HA2 GLY B 20 8.483 -3.154 8.599 1.00 0.00 H new ATOM 0 HA3 GLY B 20 8.099 -2.469 10.165 1.00 0.00 H new ATOM 613 N GLU B 21 7.425 -4.954 10.534 1.00 0.00 N ATOM 614 CA GLU B 21 6.867 -6.244 10.986 1.00 0.00 C ATOM 615 C GLU B 21 5.477 -6.159 11.657 1.00 0.00 C ATOM 616 O GLU B 21 4.821 -7.186 11.854 1.00 0.00 O ATOM 617 CB GLU B 21 7.883 -6.952 11.902 1.00 0.00 C ATOM 618 CG GLU B 21 8.129 -6.234 13.238 1.00 0.00 C ATOM 619 CD GLU B 21 9.174 -6.983 14.078 1.00 0.00 C ATOM 620 OE1 GLU B 21 10.386 -6.691 13.946 1.00 0.00 O ATOM 621 OE2 GLU B 21 8.792 -7.867 14.882 1.00 0.00 O1- ATOM 0 H GLU B 21 8.303 -4.721 10.998 1.00 0.00 H new ATOM 0 HA GLU B 21 6.694 -6.830 10.083 1.00 0.00 H new ATOM 0 HB2 GLU B 21 7.530 -7.963 12.105 1.00 0.00 H new ATOM 0 HB3 GLU B 21 8.831 -7.045 11.372 1.00 0.00 H new ATOM 0 HG2 GLU B 21 8.469 -5.215 13.051 1.00 0.00 H new ATOM 0 HG3 GLU B 21 7.194 -6.161 13.794 1.00 0.00 H new ATOM 628 N ARG B 22 5.006 -4.946 11.977 1.00 0.00 N ATOM 629 CA ARG B 22 3.651 -4.669 12.483 1.00 0.00 C ATOM 630 C ARG B 22 2.548 -5.075 11.488 1.00 0.00 C ATOM 631 O ARG B 22 1.451 -5.459 11.906 1.00 0.00 O ATOM 632 CB ARG B 22 3.525 -3.167 12.785 1.00 0.00 C ATOM 633 CG ARG B 22 4.409 -2.717 13.957 1.00 0.00 C ATOM 634 CD ARG B 22 4.273 -1.211 14.213 1.00 0.00 C ATOM 635 NE ARG B 22 4.920 -0.410 13.158 1.00 0.00 N ATOM 636 CZ ARG B 22 5.089 0.906 13.157 1.00 0.00 C ATOM 637 NH1 ARG B 22 4.630 1.679 14.120 1.00 0.00 N ATOM 638 NH2 ARG B 22 5.743 1.455 12.160 1.00 0.00 N1+ ATOM 0 H ARG B 22 5.574 -4.103 11.889 1.00 0.00 H new ATOM 0 HA ARG B 22 3.513 -5.266 13.384 1.00 0.00 H new ATOM 0 HB2 ARG B 22 3.794 -2.599 11.895 1.00 0.00 H new ATOM 0 HB3 ARG B 22 2.485 -2.933 13.010 1.00 0.00 H new ATOM 0 HG2 ARG B 22 4.132 -3.267 14.856 1.00 0.00 H new ATOM 0 HG3 ARG B 22 5.450 -2.959 13.744 1.00 0.00 H new ATOM 0 HD2 ARG B 22 3.217 -0.947 14.272 1.00 0.00 H new ATOM 0 HD3 ARG B 22 4.717 -0.966 15.178 1.00 0.00 H new ATOM 0 HE ARG B 22 5.273 -0.919 12.347 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.123 1.270 14.905 1.00 0.00 H new ATOM 0 HH12 ARG B 22 4.782 2.687 14.081 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.109 0.872 11.407 1.00 0.00 H new ATOM 0 HH22 ARG B 22 5.885 2.465 12.138 1.00 0.00 H new ATOM 652 N GLY B 23 2.830 -4.988 10.181 1.00 0.00 N ATOM 653 CA GLY B 23 1.899 -5.332 9.097 1.00 0.00 C ATOM 654 C GLY B 23 0.799 -4.290 8.888 1.00 0.00 C ATOM 655 O GLY B 23 0.814 -3.207 9.468 1.00 0.00 O ATOM 0 H GLY B 23 3.736 -4.668 9.839 1.00 0.00 H new ATOM 0 HA2 GLY B 23 2.460 -5.449 8.170 1.00 0.00 H new ATOM 0 HA3 GLY B 23 1.439 -6.296 9.315 1.00 0.00 H new ATOM 659 N HIS B 24 -0.175 -4.619 8.047 1.00 0.00 N ATOM 660 CA HIS B 24 -1.257 -3.716 7.637 1.00 0.00 C ATOM 661 C HIS B 24 -2.589 -4.455 7.407 1.00 0.00 C ATOM 662 O HIS B 24 -2.615 -5.655 7.116 1.00 0.00 O ATOM 663 CB HIS B 24 -0.806 -2.934 6.394 1.00 0.00 C ATOM 664 CG HIS B 24 -0.289 -3.809 5.284 1.00 0.00 C ATOM 665 ND1 HIS B 24 -1.068 -4.400 4.288 1.00 0.00 N ATOM 666 CD2 HIS B 24 1.026 -4.098 5.061 1.00 0.00 C ATOM 667 CE1 HIS B 24 -0.193 -5.018 3.478 1.00 0.00 C ATOM 668 NE2 HIS B 24 1.069 -4.864 3.919 1.00 0.00 N ATOM 0 H HIS B 24 -0.240 -5.542 7.618 1.00 0.00 H new ATOM 0 HA HIS B 24 -1.456 -3.016 8.448 1.00 0.00 H new ATOM 0 HB2 HIS B 24 -1.645 -2.347 6.021 1.00 0.00 H new ATOM 0 HB3 HIS B 24 -0.026 -2.229 6.682 1.00 0.00 H new ATOM 0 HD2 HIS B 24 1.867 -3.787 5.663 1.00 0.00 H new ATOM 0 HE1 HIS B 24 -0.466 -5.567 2.589 1.00 0.00 H new ATOM 0 HE2 HIS B 24 1.908 -5.247 3.484 1.00 0.00 H new ATOM 676 N PHE B 25 -3.700 -3.727 7.540 1.00 0.00 N ATOM 677 CA PHE B 25 -5.062 -4.266 7.444 1.00 0.00 C ATOM 678 C PHE B 25 -5.570 -4.436 5.998 1.00 0.00 C ATOM 679 O PHE B 25 -6.616 -5.049 5.788 1.00 0.00 O ATOM 680 CB PHE B 25 -5.995 -3.377 8.285 1.00 0.00 C ATOM 681 CG PHE B 25 -5.965 -1.894 7.957 1.00 0.00 C ATOM 682 CD1 PHE B 25 -6.616 -1.408 6.806 1.00 0.00 C ATOM 683 CD2 PHE B 25 -5.294 -0.996 8.810 1.00 0.00 C ATOM 684 CE1 PHE B 25 -6.599 -0.032 6.513 1.00 0.00 C ATOM 685 CE2 PHE B 25 -5.294 0.381 8.525 1.00 0.00 C ATOM 686 CZ PHE B 25 -5.955 0.864 7.382 1.00 0.00 C ATOM 0 H PHE B 25 -3.679 -2.724 7.722 1.00 0.00 H new ATOM 0 HA PHE B 25 -5.052 -5.281 7.840 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.017 -3.737 8.163 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -5.736 -3.503 9.336 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -7.129 -2.093 6.147 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -4.779 -1.366 9.684 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -7.081 0.335 5.619 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -4.786 1.068 9.185 1.00 0.00 H new ATOM 0 HZ PHE B 25 -5.968 1.923 7.172 1.00 0.00 H new ATOM 696 N TYR B 26 -4.852 -3.914 4.994 1.00 0.00 N ATOM 697 CA TYR B 26 -5.251 -3.989 3.581 1.00 0.00 C ATOM 698 C TYR B 26 -5.260 -5.424 3.013 1.00 0.00 C ATOM 699 O TYR B 26 -6.158 -5.737 2.227 1.00 0.00 O ATOM 700 CB TYR B 26 -4.327 -3.081 2.750 1.00 0.00 C ATOM 701 CG TYR B 26 -4.359 -3.336 1.249 1.00 0.00 C ATOM 702 CD1 TYR B 26 -5.578 -3.294 0.541 1.00 0.00 C ATOM 703 CD2 TYR B 26 -3.179 -3.702 0.574 1.00 0.00 C ATOM 704 CE1 TYR B 26 -5.624 -3.653 -0.821 1.00 0.00 C ATOM 705 CE2 TYR B 26 -3.207 -4.003 -0.799 1.00 0.00 C ATOM 706 CZ TYR B 26 -4.433 -3.999 -1.499 1.00 0.00 C ATOM 707 OH TYR B 26 -4.463 -4.340 -2.817 1.00 0.00 O ATOM 0 H TYR B 26 -3.970 -3.423 5.141 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.283 -3.645 3.518 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.602 -2.042 2.933 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -3.304 -3.207 3.104 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.482 -2.985 1.046 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -2.246 -3.752 1.115 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.568 -3.664 -1.346 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -2.290 -4.238 -1.319 1.00 0.00 H new ATOM 0 HH TYR B 26 -3.787 -3.824 -3.304 1.00 0.00 H new ATOM 717 N THR B 27 -4.272 -6.256 3.397 1.00 0.00 N ATOM 718 CA THR B 27 -3.907 -7.580 2.828 1.00 0.00 C ATOM 719 C THR B 27 -5.038 -8.242 2.010 1.00 0.00 C ATOM 720 O THR B 27 -5.959 -8.805 2.614 1.00 0.00 O ATOM 721 CB THR B 27 -3.387 -8.528 3.922 1.00 0.00 C ATOM 722 OG1 THR B 27 -4.273 -8.550 5.020 1.00 0.00 O ATOM 723 CG2 THR B 27 -2.008 -8.099 4.428 1.00 0.00 C ATOM 0 H THR B 27 -3.658 -6.006 4.172 1.00 0.00 H new ATOM 0 HA THR B 27 -3.103 -7.386 2.118 1.00 0.00 H new ATOM 0 HB THR B 27 -3.314 -9.519 3.475 1.00 0.00 H new ATOM 0 HG1 THR B 27 -5.193 -8.641 4.696 1.00 0.00 H new ATOM 0 HG21 THR B 27 -1.672 -8.791 5.200 1.00 0.00 H new ATOM 0 HG22 THR B 27 -1.298 -8.106 3.601 1.00 0.00 H new ATOM 0 HG23 THR B 27 -2.070 -7.094 4.844 1.00 0.00 H new ATOM 731 N PRO B 28 -5.014 -8.144 0.661 1.00 0.00 N ATOM 732 CA PRO B 28 -6.162 -8.437 -0.192 1.00 0.00 C ATOM 733 C PRO B 28 -6.427 -9.945 -0.288 1.00 0.00 C ATOM 734 O PRO B 28 -5.504 -10.759 -0.255 1.00 0.00 O ATOM 735 CB PRO B 28 -5.836 -7.819 -1.556 1.00 0.00 C ATOM 736 CG PRO B 28 -4.312 -7.857 -1.605 1.00 0.00 C ATOM 737 CD PRO B 28 -3.927 -7.612 -0.148 1.00 0.00 C ATOM 0 HA PRO B 28 -7.080 -8.016 0.217 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -6.279 -8.390 -2.372 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -6.216 -6.800 -1.637 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -3.942 -8.816 -1.967 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -3.908 -7.090 -2.266 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -2.986 -8.106 0.093 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -3.786 -6.548 0.043 1.00 0.00 H new ATOM 745 N LYS B 29 -7.705 -10.315 -0.422 1.00 0.00 N ATOM 746 CA LYS B 29 -8.178 -11.715 -0.409 1.00 0.00 C ATOM 747 C LYS B 29 -8.340 -12.335 -1.811 1.00 0.00 C ATOM 748 O LYS B 29 -8.993 -13.369 -1.984 1.00 0.00 O ATOM 749 CB LYS B 29 -9.503 -11.804 0.381 1.00 0.00 C ATOM 750 CG LYS B 29 -9.562 -11.008 1.695 1.00 0.00 C ATOM 751 CD LYS B 29 -8.489 -11.332 2.753 1.00 0.00 C ATOM 752 CE LYS B 29 -8.736 -12.631 3.539 1.00 0.00 C ATOM 753 NZ LYS B 29 -8.360 -13.859 2.791 1.00 0.00 N1+ ATOM 0 H LYS B 29 -8.460 -9.640 -0.545 1.00 0.00 H new ATOM 0 HA LYS B 29 -7.403 -12.303 0.082 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -10.311 -11.460 -0.265 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -9.699 -12.852 0.606 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -9.491 -9.948 1.453 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -10.542 -11.168 2.145 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -7.520 -11.400 2.259 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -8.430 -10.502 3.457 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -8.171 -12.595 4.470 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -9.791 -12.688 3.808 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -8.094 -14.607 3.463 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -9.168 -14.178 2.219 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -7.555 -13.652 2.167 1.00 0.00 H new ATOM 767 N THR B 30 -7.792 -11.646 -2.808 1.00 0.00 N ATOM 768 CA THR B 30 -8.098 -11.799 -4.242 1.00 0.00 C ATOM 769 C THR B 30 -7.668 -13.161 -4.801 1.00 0.00 C ATOM 770 O THR B 30 -6.485 -13.539 -4.638 1.00 0.00 O ATOM 771 CB THR B 30 -7.465 -10.664 -5.056 1.00 0.00 C ATOM 772 OG1 THR B 30 -7.825 -9.427 -4.473 1.00 0.00 O ATOM 773 CG2 THR B 30 -7.946 -10.643 -6.510 1.00 0.00 C ATOM 774 OXT THR B 30 -8.519 -13.851 -5.406 1.00 0.00 O1- ATOM 0 H THR B 30 -7.087 -10.929 -2.638 1.00 0.00 H new ATOM 0 HA THR B 30 -9.183 -11.746 -4.335 1.00 0.00 H new ATOM 0 HB THR B 30 -6.387 -10.827 -5.049 1.00 0.00 H new ATOM 0 HG1 THR B 30 -7.423 -8.695 -4.986 1.00 0.00 H new ATOM 0 HG21 THR B 30 -7.466 -9.820 -7.040 1.00 0.00 H new ATOM 0 HG22 THR B 30 -7.687 -11.585 -6.993 1.00 0.00 H new ATOM 0 HG23 THR B 30 -9.027 -10.509 -6.534 1.00 0.00 H new TER 782 THR B 30