USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=12 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 Set 1.1: B 3 ASN : amide:sc= -4.84 K(o=-17,f=-7.9) USER MOD Set 1.2: B 5 HIS : no HD1:sc= -12.6! K(o=-17!,f=-7.9) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.115 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0839 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0668 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0792 K(o=-0.079,f=-1.8!) USER MOD Single : A 18 ASN : amide:sc= -0.192 X(o=-0.19,f=-0.16) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 152:sc= 0.199 (180deg=0.0369) USER MOD Single : B 4 GLN : amide:sc= -0.147 K(o=-0.15,f=-2.5!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.0417 X(o=-0.042,f=-0.14) USER MOD Single : B 16 TYR OH : rot 180:sc=-0.00218 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 28 THR OG1 : rot -64:sc= 1.17 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 47:sc= 0.967 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.475 11.869 -2.455 1.00 0.00 N ATOM 2 CA GLY A 1 1.921 10.793 -1.585 1.00 0.00 C ATOM 3 C GLY A 1 3.070 9.995 -0.967 1.00 0.00 C ATOM 4 O GLY A 1 4.229 10.287 -1.185 1.00 0.00 O ATOM 0 H1 GLY A 1 2.203 12.798 -2.074 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.512 11.796 -2.480 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.097 11.766 -3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.302 11.228 -0.800 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.279 10.134 -2.168 1.00 0.00 H new ATOM 10 N ILE A 2 2.759 8.989 -0.197 1.00 0.00 N ATOM 11 CA ILE A 2 3.835 8.174 0.433 1.00 0.00 C ATOM 12 C ILE A 2 4.579 7.391 -0.648 1.00 0.00 C ATOM 13 O ILE A 2 5.756 7.116 -0.531 1.00 0.00 O ATOM 14 CB ILE A 2 3.221 7.199 1.442 1.00 0.00 C ATOM 15 CG1 ILE A 2 1.924 6.615 0.873 1.00 0.00 C ATOM 16 CG2 ILE A 2 2.913 7.940 2.744 1.00 0.00 C ATOM 17 CD1 ILE A 2 1.749 5.180 1.373 1.00 0.00 C ATOM 0 H ILE A 2 1.807 8.696 0.023 1.00 0.00 H new ATOM 0 HA ILE A 2 4.532 8.833 0.950 1.00 0.00 H new ATOM 0 HB ILE A 2 3.927 6.392 1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.073 7.224 1.179 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.953 6.631 -0.217 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.476 7.247 3.463 1.00 0.00 H new ATOM 0 HG22 ILE A 2 3.834 8.354 3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.209 8.748 2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.826 4.764 0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.594 4.575 1.045 1.00 0.00 H new ATOM 0 HD13 ILE A 2 1.701 5.177 2.462 1.00 0.00 H new ATOM 29 N VAL A 3 3.903 7.033 -1.703 1.00 0.00 N ATOM 30 CA VAL A 3 4.558 6.274 -2.792 1.00 0.00 C ATOM 31 C VAL A 3 5.730 7.086 -3.348 1.00 0.00 C ATOM 32 O VAL A 3 6.800 6.565 -3.591 1.00 0.00 O ATOM 33 CB VAL A 3 3.518 6.025 -3.885 1.00 0.00 C ATOM 34 CG1 VAL A 3 4.214 5.666 -5.190 1.00 0.00 C ATOM 35 CG2 VAL A 3 2.602 4.876 -3.462 1.00 0.00 C ATOM 0 H VAL A 3 2.915 7.238 -1.854 1.00 0.00 H new ATOM 0 HA VAL A 3 4.943 5.324 -2.422 1.00 0.00 H new ATOM 0 HB VAL A 3 2.927 6.929 -4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.467 5.490 -5.964 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.864 6.486 -5.493 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.810 4.764 -5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 3 1.860 4.697 -4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.195 3.974 -3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.097 5.137 -2.532 1.00 0.00 H new ATOM 45 N GLU A 4 5.535 8.356 -3.550 1.00 0.00 N ATOM 46 CA GLU A 4 6.635 9.202 -4.089 1.00 0.00 C ATOM 47 C GLU A 4 7.735 9.344 -3.036 1.00 0.00 C ATOM 48 O GLU A 4 8.909 9.370 -3.349 1.00 0.00 O ATOM 49 CB GLU A 4 6.087 10.586 -4.443 1.00 0.00 C ATOM 50 CG GLU A 4 6.011 10.733 -5.964 1.00 0.00 C ATOM 51 CD GLU A 4 5.368 12.076 -6.315 1.00 0.00 C ATOM 52 OE1 GLU A 4 4.256 12.311 -5.871 1.00 0.00 O ATOM 53 OE2 GLU A 4 5.998 12.846 -7.020 1.00 0.00 O ATOM 0 H GLU A 4 4.660 8.847 -3.365 1.00 0.00 H new ATOM 0 HA GLU A 4 7.047 8.734 -4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.098 10.720 -4.005 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.729 11.361 -4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.010 10.672 -6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.429 9.916 -6.390 1.00 0.00 H new ATOM 60 N GLN A 5 7.362 9.444 -1.791 1.00 0.00 N ATOM 61 CA GLN A 5 8.383 9.594 -0.716 1.00 0.00 C ATOM 62 C GLN A 5 8.970 8.228 -0.354 1.00 0.00 C ATOM 63 O GLN A 5 10.130 8.113 -0.010 1.00 0.00 O ATOM 64 CB GLN A 5 7.729 10.210 0.523 1.00 0.00 C ATOM 65 CG GLN A 5 8.214 11.651 0.693 1.00 0.00 C ATOM 66 CD GLN A 5 7.173 12.451 1.479 1.00 0.00 C ATOM 67 OE1 GLN A 5 6.143 12.815 0.949 1.00 0.00 O ATOM 68 NE2 GLN A 5 7.401 12.742 2.731 1.00 0.00 N ATOM 0 H GLN A 5 6.394 9.428 -1.471 1.00 0.00 H new ATOM 0 HA GLN A 5 9.183 10.243 -1.072 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.644 10.190 0.423 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.978 9.624 1.408 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.170 11.665 1.217 1.00 0.00 H new ATOM 0 HG3 GLN A 5 8.378 12.108 -0.283 1.00 0.00 H new ATOM 0 HE21 GLN A 5 8.266 12.436 3.176 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.714 13.275 3.264 1.00 0.00 H new ATOM 77 N CYS A 6 8.181 7.191 -0.419 1.00 0.00 N ATOM 78 CA CYS A 6 8.704 5.839 -0.067 1.00 0.00 C ATOM 79 C CYS A 6 9.245 5.142 -1.318 1.00 0.00 C ATOM 80 O CYS A 6 9.748 4.038 -1.249 1.00 0.00 O ATOM 81 CB CYS A 6 7.581 4.995 0.539 1.00 0.00 C ATOM 82 SG CYS A 6 8.006 4.560 2.245 1.00 0.00 S ATOM 0 H CYS A 6 7.201 7.220 -0.699 1.00 0.00 H new ATOM 0 HA CYS A 6 9.511 5.950 0.658 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.643 5.549 0.517 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.432 4.091 -0.052 1.00 0.00 H new ATOM 87 N CYS A 7 9.148 5.769 -2.459 1.00 0.00 N ATOM 88 CA CYS A 7 9.664 5.127 -3.703 1.00 0.00 C ATOM 89 C CYS A 7 11.036 4.509 -3.425 1.00 0.00 C ATOM 90 O CYS A 7 11.638 4.747 -2.396 1.00 0.00 O ATOM 91 CB CYS A 7 9.795 6.173 -4.812 1.00 0.00 C ATOM 92 SG CYS A 7 9.829 5.337 -6.417 1.00 0.00 S ATOM 0 H CYS A 7 8.736 6.694 -2.584 1.00 0.00 H new ATOM 0 HA CYS A 7 8.968 4.351 -4.021 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.959 6.872 -4.770 1.00 0.00 H new ATOM 0 HB3 CYS A 7 10.705 6.756 -4.673 1.00 0.00 H new ATOM 97 N THR A 8 11.535 3.712 -4.330 1.00 0.00 N ATOM 98 CA THR A 8 12.864 3.076 -4.107 1.00 0.00 C ATOM 99 C THR A 8 12.722 2.001 -3.030 1.00 0.00 C ATOM 100 O THR A 8 12.724 2.287 -1.849 1.00 0.00 O ATOM 101 CB THR A 8 13.870 4.135 -3.647 1.00 0.00 C ATOM 102 OG1 THR A 8 13.691 5.319 -4.411 1.00 0.00 O ATOM 103 CG2 THR A 8 15.292 3.609 -3.843 1.00 0.00 C ATOM 0 H THR A 8 11.081 3.474 -5.212 1.00 0.00 H new ATOM 0 HA THR A 8 13.219 2.626 -5.034 1.00 0.00 H new ATOM 0 HB THR A 8 13.709 4.356 -2.592 1.00 0.00 H new ATOM 0 HG1 THR A 8 14.333 5.998 -4.117 1.00 0.00 H new ATOM 0 HG21 THR A 8 16.007 4.363 -3.515 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.428 2.701 -3.256 1.00 0.00 H new ATOM 0 HG23 THR A 8 15.456 3.387 -4.898 1.00 0.00 H new ATOM 111 N SER A 9 12.586 0.766 -3.426 1.00 0.00 N ATOM 112 CA SER A 9 12.429 -0.323 -2.423 1.00 0.00 C ATOM 113 C SER A 9 11.224 -0.019 -1.539 1.00 0.00 C ATOM 114 O SER A 9 10.341 0.727 -1.915 1.00 0.00 O ATOM 115 CB SER A 9 13.673 -0.412 -1.549 1.00 0.00 C ATOM 116 OG SER A 9 14.809 0.000 -2.298 1.00 0.00 O ATOM 0 H SER A 9 12.577 0.464 -4.400 1.00 0.00 H new ATOM 0 HA SER A 9 12.286 -1.270 -2.944 1.00 0.00 H new ATOM 0 HB2 SER A 9 13.557 0.219 -0.668 1.00 0.00 H new ATOM 0 HB3 SER A 9 13.809 -1.434 -1.194 1.00 0.00 H new ATOM 0 HG SER A 9 15.609 -0.055 -1.735 1.00 0.00 H new ATOM 122 N ILE A 10 11.176 -0.588 -0.365 1.00 0.00 N ATOM 123 CA ILE A 10 10.018 -0.326 0.533 1.00 0.00 C ATOM 124 C ILE A 10 10.496 0.187 1.884 1.00 0.00 C ATOM 125 O ILE A 10 11.383 -0.374 2.496 1.00 0.00 O ATOM 126 CB ILE A 10 9.230 -1.622 0.762 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.885 -1.270 1.412 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.030 -2.550 1.685 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.289 -2.504 2.094 1.00 0.00 C ATOM 0 H ILE A 10 11.885 -1.219 0.009 1.00 0.00 H new ATOM 0 HA ILE A 10 9.385 0.423 0.058 1.00 0.00 H new ATOM 0 HB ILE A 10 9.058 -2.130 -0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.023 -0.473 2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.195 -0.894 0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.471 -3.471 1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.989 -2.785 1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.200 -2.054 2.641 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.335 -2.242 2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.133 -3.289 1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.974 -2.861 2.863 1.00 0.00 H new ATOM 141 N CYS A 11 9.880 1.218 2.382 1.00 0.00 N ATOM 142 CA CYS A 11 10.270 1.715 3.724 1.00 0.00 C ATOM 143 C CYS A 11 9.238 1.165 4.701 1.00 0.00 C ATOM 144 O CYS A 11 8.063 1.445 4.585 1.00 0.00 O ATOM 145 CB CYS A 11 10.264 3.256 3.782 1.00 0.00 C ATOM 146 SG CYS A 11 9.938 3.974 2.147 1.00 0.00 S ATOM 0 H CYS A 11 9.130 1.734 1.922 1.00 0.00 H new ATOM 0 HA CYS A 11 11.282 1.390 3.966 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.505 3.593 4.488 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.225 3.612 4.153 1.00 0.00 H new ATOM 151 N SER A 12 9.665 0.380 5.650 1.00 0.00 N ATOM 152 CA SER A 12 8.713 -0.209 6.628 1.00 0.00 C ATOM 153 C SER A 12 7.407 -0.591 5.921 1.00 0.00 C ATOM 154 O SER A 12 6.517 0.219 5.779 1.00 0.00 O ATOM 155 CB SER A 12 8.414 0.814 7.724 1.00 0.00 C ATOM 156 OG SER A 12 8.634 0.217 8.996 1.00 0.00 O ATOM 0 H SER A 12 10.641 0.120 5.790 1.00 0.00 H new ATOM 0 HA SER A 12 9.158 -1.102 7.068 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.053 1.689 7.605 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.383 1.159 7.644 1.00 0.00 H new ATOM 0 HG SER A 12 8.445 0.871 9.701 1.00 0.00 H new ATOM 162 N LEU A 13 7.259 -1.818 5.497 1.00 0.00 N ATOM 163 CA LEU A 13 5.978 -2.200 4.840 1.00 0.00 C ATOM 164 C LEU A 13 4.878 -1.808 5.804 1.00 0.00 C ATOM 165 O LEU A 13 3.790 -1.424 5.422 1.00 0.00 O ATOM 166 CB LEU A 13 5.944 -3.709 4.586 1.00 0.00 C ATOM 167 CG LEU A 13 4.537 -4.121 4.150 1.00 0.00 C ATOM 168 CD1 LEU A 13 4.569 -4.580 2.691 1.00 0.00 C ATOM 169 CD2 LEU A 13 4.048 -5.270 5.036 1.00 0.00 C ATOM 0 H LEU A 13 7.956 -2.559 5.575 1.00 0.00 H new ATOM 0 HA LEU A 13 5.860 -1.703 3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.668 -3.975 3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.228 -4.247 5.490 1.00 0.00 H new ATOM 0 HG LEU A 13 3.861 -3.271 4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.566 -4.874 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.920 -3.763 2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.243 -5.431 2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.045 -5.566 4.728 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.724 -6.119 4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.026 -4.944 6.076 1.00 0.00 H new ATOM 181 N TYR A 14 5.188 -1.860 7.062 1.00 0.00 N ATOM 182 CA TYR A 14 4.202 -1.445 8.088 1.00 0.00 C ATOM 183 C TYR A 14 3.859 0.018 7.825 1.00 0.00 C ATOM 184 O TYR A 14 2.740 0.452 8.013 1.00 0.00 O ATOM 185 CB TYR A 14 4.810 -1.593 9.485 1.00 0.00 C ATOM 186 CG TYR A 14 5.568 -2.897 9.570 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.872 -4.112 9.576 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.966 -2.891 9.644 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.574 -5.320 9.656 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.668 -4.099 9.723 1.00 0.00 C ATOM 191 CZ TYR A 14 6.972 -5.314 9.729 1.00 0.00 C ATOM 192 OH TYR A 14 7.664 -6.505 9.808 1.00 0.00 O ATOM 0 H TYR A 14 6.087 -2.174 7.427 1.00 0.00 H new ATOM 0 HA TYR A 14 3.308 -2.067 8.037 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.479 -0.757 9.692 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.024 -1.567 10.240 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.794 -4.117 9.519 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.503 -1.954 9.640 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.037 -6.257 9.661 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.747 -4.094 9.779 1.00 0.00 H new ATOM 0 HH TYR A 14 8.626 -6.322 9.851 1.00 0.00 H new ATOM 202 N GLN A 15 4.818 0.780 7.360 1.00 0.00 N ATOM 203 CA GLN A 15 4.546 2.209 7.050 1.00 0.00 C ATOM 204 C GLN A 15 3.604 2.262 5.848 1.00 0.00 C ATOM 205 O GLN A 15 2.664 3.032 5.819 1.00 0.00 O ATOM 206 CB GLN A 15 5.853 2.933 6.717 1.00 0.00 C ATOM 207 CG GLN A 15 6.508 3.422 8.011 1.00 0.00 C ATOM 208 CD GLN A 15 7.800 4.170 7.679 1.00 0.00 C ATOM 209 OE1 GLN A 15 8.118 4.375 6.525 1.00 0.00 O ATOM 210 NE2 GLN A 15 8.565 4.589 8.651 1.00 0.00 N ATOM 0 H GLN A 15 5.774 0.471 7.183 1.00 0.00 H new ATOM 0 HA GLN A 15 4.091 2.699 7.911 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.528 2.262 6.186 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.656 3.776 6.055 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.825 4.077 8.552 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.723 2.576 8.664 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.298 4.417 9.620 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.429 5.088 8.441 1.00 0.00 H new ATOM 219 N LEU A 16 3.822 1.420 4.868 1.00 0.00 N ATOM 220 CA LEU A 16 2.910 1.403 3.699 1.00 0.00 C ATOM 221 C LEU A 16 1.590 0.824 4.184 1.00 0.00 C ATOM 222 O LEU A 16 0.526 1.344 3.913 1.00 0.00 O ATOM 223 CB LEU A 16 3.493 0.520 2.593 1.00 0.00 C ATOM 224 CG LEU A 16 3.221 1.161 1.232 1.00 0.00 C ATOM 225 CD1 LEU A 16 4.245 2.267 0.973 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.334 0.097 0.138 1.00 0.00 C ATOM 0 H LEU A 16 4.590 0.750 4.833 1.00 0.00 H new ATOM 0 HA LEU A 16 2.774 2.405 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.566 0.395 2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.048 -0.474 2.634 1.00 0.00 H new ATOM 0 HG LEU A 16 2.218 1.587 1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.050 2.723 0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.167 3.025 1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.249 1.842 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.140 0.552 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.338 -0.328 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.604 -0.692 0.321 1.00 0.00 H new ATOM 238 N GLU A 17 1.664 -0.241 4.934 1.00 0.00 N ATOM 239 CA GLU A 17 0.423 -0.848 5.480 1.00 0.00 C ATOM 240 C GLU A 17 -0.250 0.175 6.398 1.00 0.00 C ATOM 241 O GLU A 17 -1.453 0.294 6.442 1.00 0.00 O ATOM 242 CB GLU A 17 0.772 -2.103 6.284 1.00 0.00 C ATOM 243 CG GLU A 17 1.650 -3.027 5.440 1.00 0.00 C ATOM 244 CD GLU A 17 0.986 -4.401 5.332 1.00 0.00 C ATOM 245 OE1 GLU A 17 0.278 -4.769 6.255 1.00 0.00 O ATOM 246 OE2 GLU A 17 1.198 -5.063 4.329 1.00 0.00 O ATOM 0 H GLU A 17 2.530 -0.715 5.191 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.247 -1.124 4.666 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.294 -1.826 7.200 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.139 -2.622 6.580 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.795 -2.602 4.447 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.637 -3.122 5.893 1.00 0.00 H new ATOM 253 N ASN A 18 0.527 0.919 7.132 1.00 0.00 N ATOM 254 CA ASN A 18 -0.059 1.940 8.045 1.00 0.00 C ATOM 255 C ASN A 18 -0.910 2.928 7.240 1.00 0.00 C ATOM 256 O ASN A 18 -1.748 3.622 7.781 1.00 0.00 O ATOM 257 CB ASN A 18 1.068 2.698 8.751 1.00 0.00 C ATOM 258 CG ASN A 18 1.263 2.129 10.157 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.358 2.154 10.967 1.00 0.00 O ATOM 260 ND2 ASN A 18 2.416 1.612 10.485 1.00 0.00 N ATOM 0 H ASN A 18 1.546 0.865 7.140 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.687 1.443 8.785 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.993 2.611 8.180 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.827 3.760 8.807 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.556 1.230 11.420 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.177 1.590 9.806 1.00 0.00 H new ATOM 267 N TYR A 19 -0.699 3.004 5.953 1.00 0.00 N ATOM 268 CA TYR A 19 -1.490 3.952 5.122 1.00 0.00 C ATOM 269 C TYR A 19 -2.976 3.620 5.243 1.00 0.00 C ATOM 270 O TYR A 19 -3.773 4.435 5.662 1.00 0.00 O ATOM 271 CB TYR A 19 -1.058 3.830 3.656 1.00 0.00 C ATOM 272 CG TYR A 19 -1.914 4.724 2.782 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.743 5.696 3.359 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.872 4.582 1.390 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.528 6.521 2.545 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.657 5.407 0.576 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.485 6.377 1.153 1.00 0.00 C ATOM 278 OH TYR A 19 -4.258 7.190 0.351 1.00 0.00 O ATOM 0 H TYR A 19 -0.012 2.449 5.443 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.316 4.970 5.469 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.009 4.107 3.554 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.148 2.794 3.328 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.776 5.808 4.433 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.233 3.835 0.943 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.167 7.269 2.991 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.624 5.295 -0.498 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.109 6.959 -0.590 1.00 0.00 H new ATOM 288 N CYS A 20 -3.349 2.426 4.876 1.00 0.00 N ATOM 289 CA CYS A 20 -4.787 2.031 4.961 1.00 0.00 C ATOM 290 C CYS A 20 -5.666 3.191 4.487 1.00 0.00 C ATOM 291 O CYS A 20 -5.202 4.112 3.845 1.00 0.00 O ATOM 292 CB CYS A 20 -5.141 1.681 6.409 1.00 0.00 C ATOM 293 SG CYS A 20 -4.145 0.273 6.965 1.00 0.00 S ATOM 0 H CYS A 20 -2.722 1.705 4.520 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.959 1.162 4.327 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -4.962 2.541 7.054 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -6.201 1.440 6.485 1.00 0.00 H new ATOM 298 N ASN A 21 -6.932 3.154 4.799 1.00 0.00 N ATOM 299 CA ASN A 21 -7.838 4.254 4.366 1.00 0.00 C ATOM 300 C ASN A 21 -8.013 5.252 5.514 1.00 0.00 C ATOM 301 O ASN A 21 -8.625 4.884 6.503 1.00 0.00 O ATOM 302 CB ASN A 21 -9.201 3.672 3.984 1.00 0.00 C ATOM 303 CG ASN A 21 -10.183 4.811 3.702 1.00 0.00 C ATOM 304 OD1 ASN A 21 -11.076 5.067 4.485 1.00 0.00 O ATOM 305 ND2 ASN A 21 -10.055 5.511 2.608 1.00 0.00 N ATOM 306 OXT ASN A 21 -7.532 6.365 5.383 1.00 0.00 O ATOM 0 H ASN A 21 -7.378 2.410 5.335 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.406 4.763 3.504 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.103 3.036 3.104 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.579 3.044 4.791 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.704 6.272 2.411 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.306 5.297 1.950 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 9.739 -6.095 7.107 1.00 0.00 N ATOM 315 CA PHE B 1 10.740 -5.950 6.012 1.00 0.00 C ATOM 316 C PHE B 1 10.354 -6.861 4.845 1.00 0.00 C ATOM 317 O PHE B 1 10.903 -7.931 4.673 1.00 0.00 O ATOM 318 CB PHE B 1 12.124 -6.345 6.531 1.00 0.00 C ATOM 319 CG PHE B 1 12.702 -5.208 7.340 1.00 0.00 C ATOM 320 CD1 PHE B 1 13.441 -4.203 6.705 1.00 0.00 C ATOM 321 CD2 PHE B 1 12.500 -5.161 8.724 1.00 0.00 C ATOM 322 CE1 PHE B 1 13.977 -3.149 7.454 1.00 0.00 C ATOM 323 CE2 PHE B 1 13.037 -4.107 9.474 1.00 0.00 C ATOM 324 CZ PHE B 1 13.775 -3.101 8.839 1.00 0.00 C ATOM 0 H1 PHE B 1 10.192 -5.893 8.021 1.00 0.00 H new ATOM 0 H2 PHE B 1 8.957 -5.427 6.953 1.00 0.00 H new ATOM 0 H3 PHE B 1 9.368 -7.067 7.112 1.00 0.00 H new ATOM 0 HA PHE B 1 10.761 -4.914 5.673 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.051 -7.242 7.145 1.00 0.00 H new ATOM 0 HB3 PHE B 1 12.783 -6.583 5.696 1.00 0.00 H new ATOM 0 HD1 PHE B 1 13.598 -4.241 5.637 1.00 0.00 H new ATOM 0 HD2 PHE B 1 11.930 -5.937 9.214 1.00 0.00 H new ATOM 0 HE1 PHE B 1 14.546 -2.373 6.964 1.00 0.00 H new ATOM 0 HE2 PHE B 1 12.882 -4.070 10.542 1.00 0.00 H new ATOM 0 HZ PHE B 1 14.189 -2.288 9.417 1.00 0.00 H new ATOM 336 N VAL B 2 9.413 -6.446 4.040 1.00 0.00 N ATOM 337 CA VAL B 2 8.995 -7.290 2.885 1.00 0.00 C ATOM 338 C VAL B 2 8.828 -6.412 1.643 1.00 0.00 C ATOM 339 O VAL B 2 7.728 -6.071 1.255 1.00 0.00 O ATOM 340 CB VAL B 2 7.666 -7.975 3.208 1.00 0.00 C ATOM 341 CG1 VAL B 2 7.931 -9.256 4.002 1.00 0.00 C ATOM 342 CG2 VAL B 2 6.796 -7.032 4.042 1.00 0.00 C ATOM 0 H VAL B 2 8.916 -5.560 4.133 1.00 0.00 H new ATOM 0 HA VAL B 2 9.757 -8.046 2.694 1.00 0.00 H new ATOM 0 HB VAL B 2 7.151 -8.222 2.280 1.00 0.00 H new ATOM 0 HG11 VAL B 2 6.984 -9.744 4.232 1.00 0.00 H new ATOM 0 HG12 VAL B 2 8.552 -9.929 3.410 1.00 0.00 H new ATOM 0 HG13 VAL B 2 8.447 -9.009 4.930 1.00 0.00 H new ATOM 0 HG21 VAL B 2 5.849 -7.519 4.273 1.00 0.00 H new ATOM 0 HG22 VAL B 2 7.312 -6.785 4.970 1.00 0.00 H new ATOM 0 HG23 VAL B 2 6.606 -6.118 3.479 1.00 0.00 H new ATOM 352 N ASN B 3 9.912 -6.047 1.015 1.00 0.00 N ATOM 353 CA ASN B 3 9.817 -5.194 -0.204 1.00 0.00 C ATOM 354 C ASN B 3 9.349 -6.049 -1.384 1.00 0.00 C ATOM 355 O ASN B 3 10.079 -6.879 -1.888 1.00 0.00 O ATOM 356 CB ASN B 3 11.196 -4.598 -0.513 1.00 0.00 C ATOM 357 CG ASN B 3 11.223 -4.062 -1.947 1.00 0.00 C ATOM 358 OD1 ASN B 3 11.671 -4.738 -2.852 1.00 0.00 O ATOM 359 ND2 ASN B 3 10.760 -2.867 -2.194 1.00 0.00 N ATOM 0 H ASN B 3 10.860 -6.302 1.293 1.00 0.00 H new ATOM 0 HA ASN B 3 9.103 -4.388 -0.036 1.00 0.00 H new ATOM 0 HB2 ASN B 3 11.420 -3.795 0.189 1.00 0.00 H new ATOM 0 HB3 ASN B 3 11.967 -5.358 -0.385 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.774 -2.501 -3.146 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.384 -2.299 -1.435 1.00 0.00 H new ATOM 366 N GLN B 4 8.138 -5.854 -1.830 1.00 0.00 N ATOM 367 CA GLN B 4 7.636 -6.660 -2.977 1.00 0.00 C ATOM 368 C GLN B 4 7.015 -5.735 -4.021 1.00 0.00 C ATOM 369 O GLN B 4 6.084 -6.094 -4.714 1.00 0.00 O ATOM 370 CB GLN B 4 6.589 -7.660 -2.485 1.00 0.00 C ATOM 371 CG GLN B 4 7.275 -8.976 -2.116 1.00 0.00 C ATOM 372 CD GLN B 4 6.236 -10.098 -2.067 1.00 0.00 C ATOM 373 OE1 GLN B 4 5.108 -9.914 -2.477 1.00 0.00 O ATOM 374 NE2 GLN B 4 6.572 -11.261 -1.579 1.00 0.00 N ATOM 0 H GLN B 4 7.478 -5.175 -1.451 1.00 0.00 H new ATOM 0 HA GLN B 4 8.467 -7.203 -3.427 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.063 -7.256 -1.620 1.00 0.00 H new ATOM 0 HB3 GLN B 4 5.842 -7.832 -3.260 1.00 0.00 H new ATOM 0 HG2 GLN B 4 8.047 -9.213 -2.848 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.770 -8.882 -1.149 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.520 -11.415 -1.235 1.00 0.00 H new ATOM 0 HE22 GLN B 4 5.887 -12.016 -1.542 1.00 0.00 H new ATOM 383 N HIS B 5 7.532 -4.548 -4.140 1.00 0.00 N ATOM 384 CA HIS B 5 6.987 -3.594 -5.141 1.00 0.00 C ATOM 385 C HIS B 5 8.139 -2.828 -5.805 1.00 0.00 C ATOM 386 O HIS B 5 9.209 -2.691 -5.247 1.00 0.00 O ATOM 387 CB HIS B 5 6.040 -2.608 -4.449 1.00 0.00 C ATOM 388 CG HIS B 5 6.844 -1.605 -3.671 1.00 0.00 C ATOM 389 ND1 HIS B 5 7.750 -1.986 -2.698 1.00 0.00 N ATOM 390 CD2 HIS B 5 6.907 -0.236 -3.728 1.00 0.00 C ATOM 391 CE1 HIS B 5 8.319 -0.870 -2.216 1.00 0.00 C ATOM 392 NE2 HIS B 5 7.840 0.228 -2.807 1.00 0.00 N ATOM 0 H HIS B 5 8.312 -4.195 -3.585 1.00 0.00 H new ATOM 0 HA HIS B 5 6.437 -4.146 -5.904 1.00 0.00 H new ATOM 0 HB2 HIS B 5 5.422 -2.100 -5.189 1.00 0.00 H new ATOM 0 HB3 HIS B 5 5.363 -3.143 -3.783 1.00 0.00 H new ATOM 0 HD2 HIS B 5 6.321 0.387 -4.388 1.00 0.00 H new ATOM 0 HE1 HIS B 5 9.073 -0.861 -1.443 1.00 0.00 H new ATOM 0 HE2 HIS B 5 8.102 1.196 -2.623 1.00 0.00 H new ATOM 400 N LEU B 6 7.925 -2.325 -6.992 1.00 0.00 N ATOM 401 CA LEU B 6 9.003 -1.565 -7.691 1.00 0.00 C ATOM 402 C LEU B 6 8.641 -0.077 -7.725 1.00 0.00 C ATOM 403 O LEU B 6 9.213 0.690 -8.472 1.00 0.00 O ATOM 404 CB LEU B 6 9.167 -2.084 -9.127 1.00 0.00 C ATOM 405 CG LEU B 6 7.890 -2.799 -9.580 1.00 0.00 C ATOM 406 CD1 LEU B 6 6.739 -1.794 -9.659 1.00 0.00 C ATOM 407 CD2 LEU B 6 8.118 -3.420 -10.960 1.00 0.00 C ATOM 0 H LEU B 6 7.049 -2.408 -7.508 1.00 0.00 H new ATOM 0 HA LEU B 6 9.941 -1.702 -7.153 1.00 0.00 H new ATOM 0 HB2 LEU B 6 9.386 -1.254 -9.799 1.00 0.00 H new ATOM 0 HB3 LEU B 6 10.014 -2.768 -9.180 1.00 0.00 H new ATOM 0 HG LEU B 6 7.639 -3.581 -8.863 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.832 -2.305 -9.981 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.576 -1.350 -8.677 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.988 -1.011 -10.375 1.00 0.00 H new ATOM 0 HD21 LEU B 6 7.210 -3.929 -11.284 1.00 0.00 H new ATOM 0 HD22 LEU B 6 8.369 -2.636 -11.675 1.00 0.00 H new ATOM 0 HD23 LEU B 6 8.937 -4.137 -10.905 1.00 0.00 H new ATOM 419 N CYS B 7 7.697 0.331 -6.916 1.00 0.00 N ATOM 420 CA CYS B 7 7.285 1.766 -6.877 1.00 0.00 C ATOM 421 C CYS B 7 6.319 2.082 -8.024 1.00 0.00 C ATOM 422 O CYS B 7 5.351 2.792 -7.843 1.00 0.00 O ATOM 423 CB CYS B 7 8.515 2.661 -6.986 1.00 0.00 C ATOM 424 SG CYS B 7 8.070 4.346 -6.491 1.00 0.00 S ATOM 0 H CYS B 7 7.189 -0.276 -6.274 1.00 0.00 H new ATOM 0 HA CYS B 7 6.779 1.954 -5.930 1.00 0.00 H new ATOM 0 HB2 CYS B 7 9.314 2.281 -6.349 1.00 0.00 H new ATOM 0 HB3 CYS B 7 8.893 2.657 -8.008 1.00 0.00 H new ATOM 429 N GLY B 8 6.575 1.571 -9.201 1.00 0.00 N ATOM 430 CA GLY B 8 5.668 1.853 -10.353 1.00 0.00 C ATOM 431 C GLY B 8 4.210 1.800 -9.890 1.00 0.00 C ATOM 432 O GLY B 8 3.654 2.785 -9.446 1.00 0.00 O ATOM 0 H GLY B 8 7.372 0.971 -9.414 1.00 0.00 H new ATOM 0 HA2 GLY B 8 5.891 2.835 -10.771 1.00 0.00 H new ATOM 0 HA3 GLY B 8 5.834 1.123 -11.146 1.00 0.00 H new ATOM 436 N SER B 9 3.588 0.658 -9.985 1.00 0.00 N ATOM 437 CA SER B 9 2.170 0.543 -9.544 1.00 0.00 C ATOM 438 C SER B 9 2.083 -0.451 -8.385 1.00 0.00 C ATOM 439 O SER B 9 1.079 -0.546 -7.707 1.00 0.00 O ATOM 440 CB SER B 9 1.312 0.046 -10.709 1.00 0.00 C ATOM 441 OG SER B 9 -0.044 0.406 -10.480 1.00 0.00 O ATOM 0 H SER B 9 4.000 -0.201 -10.349 1.00 0.00 H new ATOM 0 HA SER B 9 1.807 1.518 -9.218 1.00 0.00 H new ATOM 0 HB2 SER B 9 1.663 0.480 -11.645 1.00 0.00 H new ATOM 0 HB3 SER B 9 1.402 -1.036 -10.806 1.00 0.00 H new ATOM 0 HG SER B 9 -0.597 0.090 -11.225 1.00 0.00 H new ATOM 447 N HIS B 10 3.130 -1.193 -8.156 1.00 0.00 N ATOM 448 CA HIS B 10 3.122 -2.184 -7.048 1.00 0.00 C ATOM 449 C HIS B 10 3.021 -1.458 -5.705 1.00 0.00 C ATOM 450 O HIS B 10 2.368 -1.917 -4.789 1.00 0.00 O ATOM 451 CB HIS B 10 4.417 -2.994 -7.087 1.00 0.00 C ATOM 452 CG HIS B 10 4.318 -4.051 -8.153 1.00 0.00 C ATOM 453 ND1 HIS B 10 5.166 -5.146 -8.189 1.00 0.00 N ATOM 454 CD2 HIS B 10 3.478 -4.192 -9.229 1.00 0.00 C ATOM 455 CE1 HIS B 10 4.821 -5.892 -9.254 1.00 0.00 C ATOM 456 NE2 HIS B 10 3.797 -5.356 -9.923 1.00 0.00 N ATOM 0 H HIS B 10 3.996 -1.154 -8.693 1.00 0.00 H new ATOM 0 HA HIS B 10 2.266 -2.849 -7.164 1.00 0.00 H new ATOM 0 HB2 HIS B 10 5.263 -2.337 -7.289 1.00 0.00 H new ATOM 0 HB3 HIS B 10 4.598 -3.457 -6.117 1.00 0.00 H new ATOM 0 HD2 HIS B 10 2.689 -3.504 -9.497 1.00 0.00 H new ATOM 0 HE1 HIS B 10 5.312 -6.812 -9.534 1.00 0.00 H new ATOM 0 HE2 HIS B 10 3.346 -5.721 -10.762 1.00 0.00 H new ATOM 464 N LEU B 11 3.668 -0.332 -5.576 1.00 0.00 N ATOM 465 CA LEU B 11 3.611 0.411 -4.286 1.00 0.00 C ATOM 466 C LEU B 11 2.154 0.700 -3.929 1.00 0.00 C ATOM 467 O LEU B 11 1.725 0.482 -2.814 1.00 0.00 O ATOM 468 CB LEU B 11 4.370 1.731 -4.419 1.00 0.00 C ATOM 469 CG LEU B 11 4.977 2.105 -3.067 1.00 0.00 C ATOM 470 CD1 LEU B 11 6.012 3.214 -3.260 1.00 0.00 C ATOM 471 CD2 LEU B 11 3.871 2.597 -2.131 1.00 0.00 C ATOM 0 H LEU B 11 4.232 0.104 -6.306 1.00 0.00 H new ATOM 0 HA LEU B 11 4.068 -0.193 -3.502 1.00 0.00 H new ATOM 0 HB2 LEU B 11 5.155 1.638 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.697 2.518 -4.758 1.00 0.00 H new ATOM 0 HG LEU B 11 5.460 1.230 -2.632 1.00 0.00 H new ATOM 0 HD11 LEU B 11 6.444 3.480 -2.295 1.00 0.00 H new ATOM 0 HD12 LEU B 11 6.800 2.864 -3.927 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.530 4.089 -3.696 1.00 0.00 H new ATOM 0 HD21 LEU B 11 4.303 2.864 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU B 11 3.388 3.471 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU B 11 3.134 1.806 -1.992 1.00 0.00 H new ATOM 483 N VAL B 12 1.385 1.179 -4.867 1.00 0.00 N ATOM 484 CA VAL B 12 -0.044 1.464 -4.570 1.00 0.00 C ATOM 485 C VAL B 12 -0.772 0.138 -4.384 1.00 0.00 C ATOM 486 O VAL B 12 -1.492 -0.057 -3.425 1.00 0.00 O ATOM 487 CB VAL B 12 -0.668 2.242 -5.730 1.00 0.00 C ATOM 488 CG1 VAL B 12 -2.144 2.509 -5.430 1.00 0.00 C ATOM 489 CG2 VAL B 12 0.065 3.574 -5.901 1.00 0.00 C ATOM 0 H VAL B 12 1.683 1.384 -5.821 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.126 2.064 -3.664 1.00 0.00 H new ATOM 0 HB VAL B 12 -0.583 1.658 -6.647 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.589 3.063 -6.256 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.667 1.561 -5.306 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.229 3.093 -4.514 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.378 4.130 -6.727 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.021 4.157 -4.984 1.00 0.00 H new ATOM 0 HG23 VAL B 12 1.117 3.386 -6.114 1.00 0.00 H new ATOM 499 N GLU B 13 -0.569 -0.788 -5.279 1.00 0.00 N ATOM 500 CA GLU B 13 -1.230 -2.107 -5.124 1.00 0.00 C ATOM 501 C GLU B 13 -0.867 -2.644 -3.744 1.00 0.00 C ATOM 502 O GLU B 13 -1.629 -3.351 -3.114 1.00 0.00 O ATOM 503 CB GLU B 13 -0.726 -3.068 -6.204 1.00 0.00 C ATOM 504 CG GLU B 13 -1.463 -4.403 -6.084 1.00 0.00 C ATOM 505 CD GLU B 13 -2.373 -4.595 -7.298 1.00 0.00 C ATOM 506 OE1 GLU B 13 -2.959 -3.619 -7.735 1.00 0.00 O ATOM 507 OE2 GLU B 13 -2.468 -5.716 -7.771 1.00 0.00 O ATOM 0 H GLU B 13 0.022 -0.687 -6.104 1.00 0.00 H new ATOM 0 HA GLU B 13 -2.311 -2.010 -5.226 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -0.889 -2.638 -7.192 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.348 -3.222 -6.096 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -0.746 -5.222 -6.021 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -2.053 -4.424 -5.167 1.00 0.00 H new ATOM 514 N ALA B 14 0.295 -2.289 -3.263 1.00 0.00 N ATOM 515 CA ALA B 14 0.719 -2.748 -1.917 1.00 0.00 C ATOM 516 C ALA B 14 -0.158 -2.062 -0.874 1.00 0.00 C ATOM 517 O ALA B 14 -0.667 -2.682 0.036 1.00 0.00 O ATOM 518 CB ALA B 14 2.185 -2.377 -1.684 1.00 0.00 C ATOM 0 H ALA B 14 0.969 -1.698 -3.750 1.00 0.00 H new ATOM 0 HA ALA B 14 0.614 -3.830 -1.840 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.493 -2.715 -0.695 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.806 -2.856 -2.441 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.301 -1.295 -1.750 1.00 0.00 H new ATOM 524 N LEU B 15 -0.348 -0.781 -1.015 1.00 0.00 N ATOM 525 CA LEU B 15 -1.206 -0.041 -0.050 1.00 0.00 C ATOM 526 C LEU B 15 -2.628 -0.591 -0.152 1.00 0.00 C ATOM 527 O LEU B 15 -3.335 -0.706 0.829 1.00 0.00 O ATOM 528 CB LEU B 15 -1.155 1.466 -0.371 1.00 0.00 C ATOM 529 CG LEU B 15 -2.322 1.879 -1.275 1.00 0.00 C ATOM 530 CD1 LEU B 15 -3.543 2.201 -0.412 1.00 0.00 C ATOM 531 CD2 LEU B 15 -1.928 3.121 -2.078 1.00 0.00 C ATOM 0 H LEU B 15 0.055 -0.213 -1.760 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.851 -0.174 0.972 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.188 2.039 0.555 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.210 1.705 -0.860 1.00 0.00 H new ATOM 0 HG LEU B 15 -2.561 1.063 -1.957 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -4.374 2.495 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.824 1.320 0.165 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.303 3.018 0.268 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.757 3.416 -2.722 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.691 3.936 -1.394 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.055 2.896 -2.691 1.00 0.00 H new ATOM 543 N TYR B 16 -3.043 -0.955 -1.328 1.00 0.00 N ATOM 544 CA TYR B 16 -4.400 -1.530 -1.477 1.00 0.00 C ATOM 545 C TYR B 16 -4.397 -2.902 -0.808 1.00 0.00 C ATOM 546 O TYR B 16 -5.271 -3.238 -0.034 1.00 0.00 O ATOM 547 CB TYR B 16 -4.737 -1.679 -2.962 1.00 0.00 C ATOM 548 CG TYR B 16 -5.396 -0.415 -3.460 1.00 0.00 C ATOM 549 CD1 TYR B 16 -4.625 0.730 -3.696 1.00 0.00 C ATOM 550 CD2 TYR B 16 -6.778 -0.387 -3.685 1.00 0.00 C ATOM 551 CE1 TYR B 16 -5.236 1.902 -4.158 1.00 0.00 C ATOM 552 CE2 TYR B 16 -7.388 0.785 -4.147 1.00 0.00 C ATOM 553 CZ TYR B 16 -6.618 1.929 -4.383 1.00 0.00 C ATOM 554 OH TYR B 16 -7.220 3.085 -4.838 1.00 0.00 O ATOM 0 H TYR B 16 -2.502 -0.879 -2.190 1.00 0.00 H new ATOM 0 HA TYR B 16 -5.145 -0.881 -1.016 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -3.830 -1.878 -3.533 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -5.401 -2.531 -3.111 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -3.559 0.709 -3.522 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -7.373 -1.270 -3.502 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -4.642 2.785 -4.341 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -8.454 0.806 -4.321 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.183 2.933 -4.942 1.00 0.00 H new ATOM 564 N LEU B 17 -3.406 -3.695 -1.112 1.00 0.00 N ATOM 565 CA LEU B 17 -3.311 -5.055 -0.513 1.00 0.00 C ATOM 566 C LEU B 17 -2.983 -4.974 0.981 1.00 0.00 C ATOM 567 O LEU B 17 -3.556 -5.685 1.783 1.00 0.00 O ATOM 568 CB LEU B 17 -2.225 -5.856 -1.234 1.00 0.00 C ATOM 569 CG LEU B 17 -2.507 -7.351 -1.079 1.00 0.00 C ATOM 570 CD1 LEU B 17 -3.425 -7.818 -2.211 1.00 0.00 C ATOM 571 CD2 LEU B 17 -1.189 -8.126 -1.142 1.00 0.00 C ATOM 0 H LEU B 17 -2.652 -3.456 -1.756 1.00 0.00 H new ATOM 0 HA LEU B 17 -4.275 -5.551 -0.627 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -2.200 -5.587 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -1.246 -5.615 -0.821 1.00 0.00 H new ATOM 0 HG LEU B 17 -2.992 -7.532 -0.120 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -3.626 -8.884 -2.100 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -4.364 -7.266 -2.170 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -2.940 -7.638 -3.170 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -1.388 -9.192 -1.032 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -0.706 -7.945 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.533 -7.794 -0.337 1.00 0.00 H new ATOM 583 N VAL B 18 -2.068 -4.128 1.370 1.00 0.00 N ATOM 584 CA VAL B 18 -1.730 -4.042 2.821 1.00 0.00 C ATOM 585 C VAL B 18 -3.016 -3.749 3.581 1.00 0.00 C ATOM 586 O VAL B 18 -3.319 -4.363 4.584 1.00 0.00 O ATOM 587 CB VAL B 18 -0.723 -2.911 3.077 1.00 0.00 C ATOM 588 CG1 VAL B 18 0.554 -3.132 2.261 1.00 0.00 C ATOM 589 CG2 VAL B 18 -1.353 -1.586 2.682 1.00 0.00 C ATOM 0 H VAL B 18 -1.546 -3.501 0.757 1.00 0.00 H new ATOM 0 HA VAL B 18 -1.283 -4.980 3.151 1.00 0.00 H new ATOM 0 HB VAL B 18 -0.462 -2.901 4.135 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.255 -2.321 2.456 1.00 0.00 H new ATOM 0 HG12 VAL B 18 1.009 -4.081 2.546 1.00 0.00 H new ATOM 0 HG13 VAL B 18 0.308 -3.152 1.199 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -0.644 -0.778 2.861 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -1.617 -1.609 1.625 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -2.251 -1.419 3.276 1.00 0.00 H new ATOM 599 N CYS B 19 -3.780 -2.821 3.092 1.00 0.00 N ATOM 600 CA CYS B 19 -5.066 -2.480 3.757 1.00 0.00 C ATOM 601 C CYS B 19 -5.683 -1.296 3.026 1.00 0.00 C ATOM 602 O CYS B 19 -6.295 -0.432 3.621 1.00 0.00 O ATOM 603 CB CYS B 19 -4.809 -2.105 5.215 1.00 0.00 C ATOM 604 SG CYS B 19 -3.661 -0.712 5.269 1.00 0.00 S ATOM 0 H CYS B 19 -3.570 -2.278 2.254 1.00 0.00 H new ATOM 0 HA CYS B 19 -5.742 -3.335 3.728 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -5.745 -1.841 5.707 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -4.394 -2.956 5.755 1.00 0.00 H new ATOM 609 N GLY B 20 -5.517 -1.246 1.734 1.00 0.00 N ATOM 610 CA GLY B 20 -6.088 -0.106 0.962 1.00 0.00 C ATOM 611 C GLY B 20 -7.197 -0.615 0.041 1.00 0.00 C ATOM 612 O GLY B 20 -7.480 -0.032 -0.987 1.00 0.00 O ATOM 0 H GLY B 20 -5.014 -1.940 1.181 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -6.484 0.646 1.644 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -5.307 0.376 0.375 1.00 0.00 H new ATOM 616 N GLU B 21 -7.829 -1.697 0.401 1.00 0.00 N ATOM 617 CA GLU B 21 -8.921 -2.241 -0.454 1.00 0.00 C ATOM 618 C GLU B 21 -10.219 -2.295 0.354 1.00 0.00 C ATOM 619 O GLU B 21 -11.304 -2.285 -0.194 1.00 0.00 O ATOM 620 CB GLU B 21 -8.552 -3.651 -0.920 1.00 0.00 C ATOM 621 CG GLU B 21 -7.571 -3.562 -2.091 1.00 0.00 C ATOM 622 CD GLU B 21 -6.819 -4.887 -2.231 1.00 0.00 C ATOM 623 OE1 GLU B 21 -7.403 -5.912 -1.920 1.00 0.00 O ATOM 624 OE2 GLU B 21 -5.673 -4.855 -2.647 1.00 0.00 O ATOM 0 H GLU B 21 -7.637 -2.228 1.250 1.00 0.00 H new ATOM 0 HA GLU B 21 -9.058 -1.597 -1.322 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.105 -4.211 -0.099 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -9.449 -4.191 -1.223 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -8.108 -3.338 -3.013 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -6.866 -2.747 -1.927 1.00 0.00 H new ATOM 631 N ARG B 22 -10.117 -2.355 1.654 1.00 0.00 N ATOM 632 CA ARG B 22 -11.340 -2.414 2.495 1.00 0.00 C ATOM 633 C ARG B 22 -11.902 -1.005 2.683 1.00 0.00 C ATOM 634 O ARG B 22 -13.066 -0.752 2.444 1.00 0.00 O ATOM 635 CB ARG B 22 -10.992 -3.012 3.860 1.00 0.00 C ATOM 636 CG ARG B 22 -11.315 -4.507 3.860 1.00 0.00 C ATOM 637 CD ARG B 22 -12.072 -4.867 5.140 1.00 0.00 C ATOM 638 NE ARG B 22 -11.500 -6.114 5.721 1.00 0.00 N ATOM 639 CZ ARG B 22 -11.526 -6.305 7.011 1.00 0.00 C ATOM 640 NH1 ARG B 22 -11.100 -5.372 7.818 1.00 0.00 N ATOM 641 NH2 ARG B 22 -11.980 -7.429 7.495 1.00 0.00 N ATOM 0 H ARG B 22 -9.236 -2.366 2.168 1.00 0.00 H new ATOM 0 HA ARG B 22 -12.087 -3.038 2.004 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -9.935 -2.858 4.078 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -11.556 -2.507 4.644 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -11.916 -4.760 2.986 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -10.395 -5.088 3.793 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -12.000 -4.051 5.860 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -13.131 -5.007 4.922 1.00 0.00 H new ATOM 0 HE ARG B 22 -11.088 -6.819 5.110 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -10.747 -4.493 7.440 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.121 -5.522 8.827 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -12.314 -8.158 6.864 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.000 -7.579 8.504 1.00 0.00 H new ATOM 655 N GLY B 23 -11.084 -0.088 3.112 1.00 0.00 N ATOM 656 CA GLY B 23 -11.566 1.307 3.320 1.00 0.00 C ATOM 657 C GLY B 23 -11.550 2.059 1.988 1.00 0.00 C ATOM 658 O GLY B 23 -12.222 3.057 1.820 1.00 0.00 O ATOM 0 H GLY B 23 -10.099 -0.243 3.329 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -12.575 1.296 3.731 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -10.932 1.817 4.045 1.00 0.00 H new ATOM 662 N PHE B 24 -10.787 1.590 1.039 1.00 0.00 N ATOM 663 CA PHE B 24 -10.730 2.281 -0.280 1.00 0.00 C ATOM 664 C PHE B 24 -12.029 2.023 -1.047 1.00 0.00 C ATOM 665 O PHE B 24 -12.755 2.937 -1.383 1.00 0.00 O ATOM 666 CB PHE B 24 -9.544 1.746 -1.085 1.00 0.00 C ATOM 667 CG PHE B 24 -8.269 2.377 -0.578 1.00 0.00 C ATOM 668 CD1 PHE B 24 -7.961 2.331 0.787 1.00 0.00 C ATOM 669 CD2 PHE B 24 -7.396 3.009 -1.471 1.00 0.00 C ATOM 670 CE1 PHE B 24 -6.781 2.917 1.259 1.00 0.00 C ATOM 671 CE2 PHE B 24 -6.216 3.596 -1.000 1.00 0.00 C ATOM 672 CZ PHE B 24 -5.908 3.549 0.366 1.00 0.00 C ATOM 0 H PHE B 24 -10.201 0.759 1.120 1.00 0.00 H new ATOM 0 HA PHE B 24 -10.608 3.353 -0.125 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -9.488 0.661 -0.993 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -9.678 1.970 -2.143 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -8.634 1.843 1.476 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -7.633 3.044 -2.524 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -6.544 2.882 2.312 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -5.543 4.085 -1.689 1.00 0.00 H new ATOM 0 HZ PHE B 24 -4.997 4.000 0.730 1.00 0.00 H new ATOM 682 N PHE B 25 -12.330 0.784 -1.324 1.00 0.00 N ATOM 683 CA PHE B 25 -13.583 0.470 -2.067 1.00 0.00 C ATOM 684 C PHE B 25 -14.695 0.143 -1.069 1.00 0.00 C ATOM 685 O PHE B 25 -14.649 -0.857 -0.380 1.00 0.00 O ATOM 686 CB PHE B 25 -13.347 -0.733 -2.982 1.00 0.00 C ATOM 687 CG PHE B 25 -13.408 -0.289 -4.424 1.00 0.00 C ATOM 688 CD1 PHE B 25 -12.275 0.259 -5.036 1.00 0.00 C ATOM 689 CD2 PHE B 25 -14.598 -0.426 -5.148 1.00 0.00 C ATOM 690 CE1 PHE B 25 -12.332 0.671 -6.373 1.00 0.00 C ATOM 691 CE2 PHE B 25 -14.655 -0.014 -6.485 1.00 0.00 C ATOM 692 CZ PHE B 25 -13.522 0.535 -7.097 1.00 0.00 C ATOM 0 H PHE B 25 -11.763 -0.024 -1.068 1.00 0.00 H new ATOM 0 HA PHE B 25 -13.875 1.330 -2.669 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -12.376 -1.180 -2.769 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -14.099 -1.499 -2.794 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -11.357 0.364 -4.477 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -15.472 -0.849 -4.676 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.458 1.094 -6.846 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -15.573 -0.120 -7.044 1.00 0.00 H new ATOM 0 HZ PHE B 25 -13.566 0.854 -8.128 1.00 0.00 H new ATOM 702 N TYR B 26 -15.695 0.978 -0.984 1.00 0.00 N ATOM 703 CA TYR B 26 -16.807 0.715 -0.028 1.00 0.00 C ATOM 704 C TYR B 26 -17.773 -0.310 -0.638 1.00 0.00 C ATOM 705 O TYR B 26 -18.142 -0.196 -1.789 1.00 0.00 O ATOM 706 CB TYR B 26 -17.558 2.019 0.248 1.00 0.00 C ATOM 707 CG TYR B 26 -17.936 2.085 1.708 1.00 0.00 C ATOM 708 CD1 TYR B 26 -16.948 1.974 2.693 1.00 0.00 C ATOM 709 CD2 TYR B 26 -19.275 2.260 2.076 1.00 0.00 C ATOM 710 CE1 TYR B 26 -17.299 2.036 4.047 1.00 0.00 C ATOM 711 CE2 TYR B 26 -19.627 2.322 3.430 1.00 0.00 C ATOM 712 CZ TYR B 26 -18.639 2.210 4.415 1.00 0.00 C ATOM 713 OH TYR B 26 -18.985 2.272 5.750 1.00 0.00 O ATOM 0 H TYR B 26 -15.789 1.831 -1.536 1.00 0.00 H new ATOM 0 HA TYR B 26 -16.401 0.323 0.904 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -16.934 2.873 -0.016 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -18.452 2.074 -0.373 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -15.915 1.841 2.409 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -20.037 2.347 1.316 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -16.537 1.950 4.807 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -20.660 2.456 3.714 1.00 0.00 H new ATOM 0 HH TYR B 26 -19.954 2.396 5.831 1.00 0.00 H new ATOM 723 N PRO B 27 -18.155 -1.284 0.153 1.00 0.00 N ATOM 724 CA PRO B 27 -19.080 -2.344 -0.286 1.00 0.00 C ATOM 725 C PRO B 27 -20.524 -1.832 -0.272 1.00 0.00 C ATOM 726 O PRO B 27 -20.901 -1.035 0.563 1.00 0.00 O ATOM 727 CB PRO B 27 -18.884 -3.446 0.757 1.00 0.00 C ATOM 728 CG PRO B 27 -18.312 -2.757 2.019 1.00 0.00 C ATOM 729 CD PRO B 27 -17.703 -1.421 1.553 1.00 0.00 C ATOM 0 HA PRO B 27 -18.888 -2.687 -1.303 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -19.829 -3.942 0.980 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -18.201 -4.212 0.389 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -19.096 -2.589 2.758 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -17.556 -3.383 2.493 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -18.050 -0.590 2.167 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -16.615 -1.434 1.621 1.00 0.00 H new ATOM 737 N THR B 28 -21.333 -2.286 -1.190 1.00 0.00 N ATOM 738 CA THR B 28 -22.751 -1.827 -1.228 1.00 0.00 C ATOM 739 C THR B 28 -23.411 -2.314 -2.520 1.00 0.00 C ATOM 740 O THR B 28 -23.952 -1.538 -3.282 1.00 0.00 O ATOM 741 CB THR B 28 -22.796 -0.297 -1.179 1.00 0.00 C ATOM 742 OG1 THR B 28 -24.105 0.146 -1.510 1.00 0.00 O ATOM 743 CG2 THR B 28 -21.792 0.278 -2.178 1.00 0.00 C ATOM 0 H THR B 28 -21.074 -2.955 -1.915 1.00 0.00 H new ATOM 0 HA THR B 28 -23.286 -2.234 -0.370 1.00 0.00 H new ATOM 0 HB THR B 28 -22.539 0.043 -0.176 1.00 0.00 H new ATOM 0 HG1 THR B 28 -24.312 -0.107 -2.434 1.00 0.00 H new ATOM 0 HG21 THR B 28 -21.826 1.367 -2.142 1.00 0.00 H new ATOM 0 HG22 THR B 28 -20.789 -0.063 -1.923 1.00 0.00 H new ATOM 0 HG23 THR B 28 -22.045 -0.059 -3.183 1.00 0.00 H new ATOM 751 N LYS B 29 -23.371 -3.594 -2.772 1.00 0.00 N ATOM 752 CA LYS B 29 -23.997 -4.127 -4.015 1.00 0.00 C ATOM 753 C LYS B 29 -25.475 -4.424 -3.754 1.00 0.00 C ATOM 754 O LYS B 29 -25.817 -5.272 -2.954 1.00 0.00 O ATOM 755 CB LYS B 29 -23.285 -5.415 -4.433 1.00 0.00 C ATOM 756 CG LYS B 29 -21.978 -5.067 -5.148 1.00 0.00 C ATOM 757 CD LYS B 29 -20.796 -5.620 -4.351 1.00 0.00 C ATOM 758 CE LYS B 29 -20.559 -7.081 -4.737 1.00 0.00 C ATOM 759 NZ LYS B 29 -19.661 -7.142 -5.925 1.00 0.00 N ATOM 0 H LYS B 29 -22.933 -4.293 -2.172 1.00 0.00 H new ATOM 0 HA LYS B 29 -23.909 -3.388 -4.812 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -23.080 -6.030 -3.557 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -23.927 -6.001 -5.091 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -21.979 -5.486 -6.154 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -21.885 -3.986 -5.253 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -19.901 -5.030 -4.551 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -20.996 -5.543 -3.282 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -20.112 -7.621 -3.902 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -21.508 -7.568 -4.960 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -19.500 -8.135 -6.188 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -20.104 -6.641 -6.721 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -18.752 -6.692 -5.696 1.00 0.00 H new ATOM 773 N THR B 30 -26.356 -3.731 -4.424 1.00 0.00 N ATOM 774 CA THR B 30 -27.811 -3.974 -4.214 1.00 0.00 C ATOM 775 C THR B 30 -28.092 -5.477 -4.276 1.00 0.00 C ATOM 776 O THR B 30 -28.068 -6.107 -3.232 1.00 0.00 O ATOM 777 CB THR B 30 -28.610 -3.260 -5.307 1.00 0.00 C ATOM 778 OG1 THR B 30 -28.126 -3.660 -6.582 1.00 0.00 O ATOM 779 CG2 THR B 30 -28.451 -1.746 -5.152 1.00 0.00 C ATOM 780 OXT THR B 30 -28.327 -5.971 -5.366 1.00 0.00 O ATOM 0 H THR B 30 -26.131 -3.008 -5.107 1.00 0.00 H new ATOM 0 HA THR B 30 -28.106 -3.590 -3.238 1.00 0.00 H new ATOM 0 HB THR B 30 -29.664 -3.523 -5.218 1.00 0.00 H new ATOM 0 HG1 THR B 30 -28.038 -4.636 -6.607 1.00 0.00 H new ATOM 0 HG21 THR B 30 -29.020 -1.239 -5.931 1.00 0.00 H new ATOM 0 HG22 THR B 30 -28.821 -1.440 -4.174 1.00 0.00 H new ATOM 0 HG23 THR B 30 -27.398 -1.480 -5.241 1.00 0.00 H new TER 788 THR B 30