USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 380 hydrogens (5 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 8 DAL H2 : B 8 DAL N : B 7 CYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 164:sc= 0 (180deg=-0.248) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 8 THR OG1 : rot -39:sc= 0.136 USER MOD Single : A 9 SER OG : rot -32:sc= -0.482 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= -2.83! K(o=-2.8!,f=-1.1) USER MOD Single : A 18 ASN : amide:sc= -0.494 K(o=-0.49,f=-3.5!) USER MOD Single : A 19 TYR OH : rot 175:sc= -1.65! USER MOD Single : A 21 ASN : amide:sc= -3.74! C(o=-3.7!,f=-7.8!) USER MOD Single : B 1 PHE N :NH3+ -100:sc= 0.0737 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.579 K(o=-0.58,f=-5.9!) USER MOD Single : B 4 GLN : amide:sc= -6.35! C(o=-6.4!,f=-7.4!) USER MOD Single : B 5 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.83) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0916 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= 0.00186 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot -12:sc= -0.103 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.747 7.748 2.695 1.00 0.00 N ATOM 2 CA GLY A 1 -6.004 6.346 2.145 1.00 0.00 C ATOM 3 C GLY A 1 -4.908 5.625 1.440 1.00 0.00 C ATOM 4 O GLY A 1 -3.866 6.182 1.158 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.655 8.210 2.906 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.182 7.681 3.565 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.229 8.309 1.988 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.323 5.721 2.979 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.847 6.414 1.457 1.00 0.00 H new ATOM 10 N ILE A 2 -5.107 4.370 1.136 1.00 0.00 N ATOM 11 CA ILE A 2 -4.047 3.599 0.432 1.00 0.00 C ATOM 12 C ILE A 2 -3.852 4.166 -0.972 1.00 0.00 C ATOM 13 O ILE A 2 -2.756 4.191 -1.490 1.00 0.00 O ATOM 14 CB ILE A 2 -4.461 2.134 0.330 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.301 1.317 -0.247 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.675 2.015 -0.591 1.00 0.00 C ATOM 17 CD1 ILE A 2 -3.793 -0.089 -0.606 1.00 0.00 C ATOM 0 H ILE A 2 -5.958 3.848 1.345 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.115 3.676 0.991 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.715 1.755 1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.900 1.810 -1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.490 1.255 0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.974 0.969 -0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.500 2.599 -0.183 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.419 2.391 -1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.967 -0.670 -1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.173 -0.581 0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.590 -0.018 -1.347 1.00 0.00 H new ATOM 29 N VAL A 3 -4.907 4.614 -1.596 1.00 0.00 N ATOM 30 CA VAL A 3 -4.778 5.175 -2.971 1.00 0.00 C ATOM 31 C VAL A 3 -4.524 6.683 -2.892 1.00 0.00 C ATOM 32 O VAL A 3 -3.826 7.248 -3.709 1.00 0.00 O ATOM 33 CB VAL A 3 -6.072 4.918 -3.747 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.965 5.543 -5.140 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.295 3.409 -3.883 1.00 0.00 C ATOM 0 H VAL A 3 -5.852 4.616 -1.213 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.943 4.695 -3.480 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.910 5.363 -3.211 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.886 5.360 -5.693 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.806 6.617 -5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.126 5.098 -5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.216 3.226 -4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.456 2.964 -4.418 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.371 2.962 -2.892 1.00 0.00 H new ATOM 45 N GLU A 4 -5.093 7.341 -1.919 1.00 0.00 N ATOM 46 CA GLU A 4 -4.894 8.814 -1.791 1.00 0.00 C ATOM 47 C GLU A 4 -3.421 9.121 -1.512 1.00 0.00 C ATOM 48 O GLU A 4 -2.651 9.394 -2.411 1.00 0.00 O ATOM 49 CB GLU A 4 -5.752 9.345 -0.642 1.00 0.00 C ATOM 50 CG GLU A 4 -6.989 10.044 -1.207 1.00 0.00 C ATOM 51 CD GLU A 4 -7.840 10.586 -0.058 1.00 0.00 C ATOM 52 OE1 GLU A 4 -7.272 10.905 0.975 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.043 10.676 -0.229 1.00 0.00 O ATOM 0 H GLU A 4 -5.689 6.921 -1.205 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.189 9.297 -2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.051 8.525 0.011 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.174 10.041 -0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.690 10.858 -1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.572 9.345 -1.807 1.00 0.00 H new ATOM 60 N GLN A 5 -3.023 9.088 -0.270 1.00 0.00 N ATOM 61 CA GLN A 5 -1.602 9.388 0.076 1.00 0.00 C ATOM 62 C GLN A 5 -0.651 8.715 -0.924 1.00 0.00 C ATOM 63 O GLN A 5 0.475 9.139 -1.095 1.00 0.00 O ATOM 64 CB GLN A 5 -1.301 8.874 1.485 1.00 0.00 C ATOM 65 CG GLN A 5 -0.098 9.630 2.056 1.00 0.00 C ATOM 66 CD GLN A 5 -0.286 9.829 3.561 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.220 10.477 3.987 1.00 0.00 O ATOM 68 NE2 GLN A 5 0.569 9.294 4.390 1.00 0.00 N ATOM 0 H GLN A 5 -3.623 8.865 0.525 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.452 10.467 0.034 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.170 9.013 2.128 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.093 7.804 1.457 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.819 9.073 1.864 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.006 10.596 1.561 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.354 8.749 4.032 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.452 9.421 5.395 1.00 0.00 H new ATOM 77 N CYS A 6 -1.083 7.670 -1.577 1.00 0.00 N ATOM 78 CA CYS A 6 -0.188 6.984 -2.550 1.00 0.00 C ATOM 79 C CYS A 6 -0.342 7.620 -3.928 1.00 0.00 C ATOM 80 O CYS A 6 0.625 7.959 -4.580 1.00 0.00 O ATOM 81 CB CYS A 6 -0.574 5.511 -2.636 1.00 0.00 C ATOM 82 SG CYS A 6 0.006 4.634 -1.165 1.00 0.00 S ATOM 0 H CYS A 6 -2.013 7.264 -1.479 1.00 0.00 H new ATOM 0 HA CYS A 6 0.846 7.080 -2.218 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.656 5.415 -2.724 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.140 5.064 -3.531 1.00 0.00 H new ATOM 87 N CYS A 7 -1.554 7.775 -4.385 1.00 0.00 N ATOM 88 CA CYS A 7 -1.765 8.372 -5.727 1.00 0.00 C ATOM 89 C CYS A 7 -1.832 9.898 -5.615 1.00 0.00 C ATOM 90 O CYS A 7 -1.301 10.612 -6.443 1.00 0.00 O ATOM 91 CB CYS A 7 -3.069 7.836 -6.321 1.00 0.00 C ATOM 92 SG CYS A 7 -3.311 8.521 -7.977 1.00 0.00 S ATOM 0 H CYS A 7 -2.404 7.514 -3.886 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.933 8.103 -6.377 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.038 6.747 -6.368 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.909 8.104 -5.680 1.00 0.00 H new ATOM 97 N THR A 8 -2.474 10.406 -4.600 1.00 0.00 N ATOM 98 CA THR A 8 -2.562 11.887 -4.447 1.00 0.00 C ATOM 99 C THR A 8 -1.303 12.404 -3.743 1.00 0.00 C ATOM 100 O THR A 8 -1.139 13.589 -3.536 1.00 0.00 O ATOM 101 CB THR A 8 -3.801 12.245 -3.619 1.00 0.00 C ATOM 102 OG1 THR A 8 -4.080 13.631 -3.769 1.00 0.00 O ATOM 103 CG2 THR A 8 -3.549 11.932 -2.143 1.00 0.00 C ATOM 0 H THR A 8 -2.940 9.864 -3.873 1.00 0.00 H new ATOM 0 HA THR A 8 -2.641 12.350 -5.431 1.00 0.00 H new ATOM 0 HB THR A 8 -4.651 11.658 -3.968 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.239 14.134 -3.781 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.434 12.189 -1.560 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.335 10.870 -2.028 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.699 12.514 -1.788 1.00 0.00 H new ATOM 111 N SER A 9 -0.412 11.521 -3.374 1.00 0.00 N ATOM 112 CA SER A 9 0.836 11.959 -2.685 1.00 0.00 C ATOM 113 C SER A 9 1.832 10.797 -2.648 1.00 0.00 C ATOM 114 O SER A 9 1.884 9.984 -3.553 1.00 0.00 O ATOM 115 CB SER A 9 0.502 12.395 -1.256 1.00 0.00 C ATOM 116 OG SER A 9 -0.576 13.321 -1.286 1.00 0.00 O ATOM 0 H SER A 9 -0.496 10.515 -3.521 1.00 0.00 H new ATOM 0 HA SER A 9 1.277 12.797 -3.226 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.235 11.528 -0.652 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.375 12.851 -0.789 1.00 0.00 H new ATOM 0 HG SER A 9 -0.529 13.851 -2.109 1.00 0.00 H new ATOM 122 N ILE A 10 2.621 10.707 -1.612 1.00 0.00 N ATOM 123 CA ILE A 10 3.615 9.597 -1.520 1.00 0.00 C ATOM 124 C ILE A 10 3.341 8.773 -0.260 1.00 0.00 C ATOM 125 O ILE A 10 2.927 9.296 0.754 1.00 0.00 O ATOM 126 CB ILE A 10 5.024 10.186 -1.445 1.00 0.00 C ATOM 127 CG1 ILE A 10 5.393 10.801 -2.801 1.00 0.00 C ATOM 128 CG2 ILE A 10 6.024 9.087 -1.076 1.00 0.00 C ATOM 129 CD1 ILE A 10 5.842 9.706 -3.770 1.00 0.00 C ATOM 0 H ILE A 10 2.621 11.355 -0.824 1.00 0.00 H new ATOM 0 HA ILE A 10 3.532 8.957 -2.399 1.00 0.00 H new ATOM 0 HB ILE A 10 5.055 10.962 -0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.536 11.333 -3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.190 11.533 -2.672 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.027 9.510 -1.023 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.758 8.663 -0.108 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.000 8.304 -1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.102 10.153 -4.729 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.713 9.193 -3.361 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.032 8.990 -3.911 1.00 0.00 H new ATOM 141 N CYS A 11 3.570 7.489 -0.312 1.00 0.00 N ATOM 142 CA CYS A 11 3.324 6.643 0.890 1.00 0.00 C ATOM 143 C CYS A 11 4.494 5.679 1.097 1.00 0.00 C ATOM 144 O CYS A 11 5.391 5.595 0.282 1.00 0.00 O ATOM 145 CB CYS A 11 2.029 5.848 0.709 1.00 0.00 C ATOM 146 SG CYS A 11 1.937 5.201 -0.976 1.00 0.00 S ATOM 0 H CYS A 11 3.916 6.991 -1.132 1.00 0.00 H new ATOM 0 HA CYS A 11 3.232 7.287 1.764 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.992 5.028 1.426 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.169 6.486 0.911 1.00 0.00 H new ATOM 151 N SER A 12 4.494 4.953 2.182 1.00 0.00 N ATOM 152 CA SER A 12 5.609 4.000 2.441 1.00 0.00 C ATOM 153 C SER A 12 5.168 2.581 2.085 1.00 0.00 C ATOM 154 O SER A 12 4.070 2.160 2.394 1.00 0.00 O ATOM 155 CB SER A 12 5.996 4.056 3.919 1.00 0.00 C ATOM 156 OG SER A 12 7.079 3.166 4.155 1.00 0.00 O ATOM 0 H SER A 12 3.770 4.979 2.900 1.00 0.00 H new ATOM 0 HA SER A 12 6.467 4.276 1.828 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.279 5.072 4.195 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.143 3.783 4.541 1.00 0.00 H new ATOM 0 HG SER A 12 7.331 3.201 5.101 1.00 0.00 H new ATOM 162 N LEU A 13 6.021 1.840 1.437 1.00 0.00 N ATOM 163 CA LEU A 13 5.652 0.451 1.060 1.00 0.00 C ATOM 164 C LEU A 13 5.271 -0.324 2.321 1.00 0.00 C ATOM 165 O LEU A 13 4.447 -1.219 2.287 1.00 0.00 O ATOM 166 CB LEU A 13 6.839 -0.233 0.373 1.00 0.00 C ATOM 167 CG LEU A 13 8.140 0.173 1.068 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.064 -1.042 1.167 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.830 1.271 0.254 1.00 0.00 C ATOM 0 H LEU A 13 6.955 2.136 1.153 1.00 0.00 H new ATOM 0 HA LEU A 13 4.807 0.471 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.718 -1.316 0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.874 0.049 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 13 7.918 0.545 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.992 -0.754 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.573 -1.826 1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.287 -1.412 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.757 1.562 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.053 0.897 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.172 2.137 0.179 1.00 0.00 H new ATOM 181 N TYR A 14 5.862 0.014 3.436 1.00 0.00 N ATOM 182 CA TYR A 14 5.532 -0.699 4.702 1.00 0.00 C ATOM 183 C TYR A 14 4.014 -0.755 4.870 1.00 0.00 C ATOM 184 O TYR A 14 3.430 -1.816 4.965 1.00 0.00 O ATOM 185 CB TYR A 14 6.152 0.050 5.884 1.00 0.00 C ATOM 186 CG TYR A 14 6.859 -0.925 6.793 1.00 0.00 C ATOM 187 CD1 TYR A 14 8.123 -1.422 6.444 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.252 -1.337 7.988 1.00 0.00 C ATOM 189 CE1 TYR A 14 8.779 -2.326 7.290 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.908 -2.242 8.833 1.00 0.00 C ATOM 191 CZ TYR A 14 8.171 -2.737 8.483 1.00 0.00 C ATOM 192 OH TYR A 14 8.818 -3.629 9.316 1.00 0.00 O ATOM 0 H TYR A 14 6.559 0.753 3.524 1.00 0.00 H new ATOM 0 HA TYR A 14 5.931 -1.713 4.667 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.856 0.800 5.522 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.377 0.581 6.437 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.591 -1.108 5.523 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.278 -0.956 8.257 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.754 -2.706 7.022 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.440 -2.558 9.754 1.00 0.00 H new ATOM 0 HH TYR A 14 8.259 -3.808 10.101 1.00 0.00 H new ATOM 202 N GLN A 15 3.370 0.378 4.901 1.00 0.00 N ATOM 203 CA GLN A 15 1.876 0.366 5.058 1.00 0.00 C ATOM 204 C GLN A 15 1.273 -0.402 3.883 1.00 0.00 C ATOM 205 O GLN A 15 0.223 -1.003 3.993 1.00 0.00 O ATOM 206 CB GLN A 15 1.286 1.794 5.083 1.00 0.00 C ATOM 207 CG GLN A 15 1.691 2.523 6.374 1.00 0.00 C ATOM 208 CD GLN A 15 1.636 1.557 7.562 1.00 0.00 C ATOM 209 OE1 GLN A 15 0.669 1.536 8.298 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.640 0.753 7.781 1.00 0.00 N ATOM 0 H GLN A 15 3.798 1.301 4.826 1.00 0.00 H new ATOM 0 HA GLN A 15 1.634 -0.110 6.008 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.638 2.354 4.217 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.199 1.746 5.011 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.697 2.929 6.271 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.023 3.366 6.550 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.452 0.771 7.163 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.613 0.107 8.570 1.00 0.00 H new ATOM 219 N LEU A 16 1.932 -0.389 2.756 1.00 0.00 N ATOM 220 CA LEU A 16 1.403 -1.120 1.576 1.00 0.00 C ATOM 221 C LEU A 16 1.508 -2.628 1.816 1.00 0.00 C ATOM 222 O LEU A 16 0.574 -3.367 1.576 1.00 0.00 O ATOM 223 CB LEU A 16 2.222 -0.742 0.342 1.00 0.00 C ATOM 224 CG LEU A 16 1.365 0.117 -0.589 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.688 1.229 0.214 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.254 0.736 -1.671 1.00 0.00 C ATOM 0 H LEU A 16 2.815 0.098 2.604 1.00 0.00 H new ATOM 0 HA LEU A 16 0.358 -0.853 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.117 -0.195 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.555 -1.641 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 16 0.602 -0.506 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.078 1.839 -0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.055 0.788 0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.448 1.853 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.645 1.349 -2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.018 1.357 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.733 -0.057 -2.246 1.00 0.00 H new ATOM 238 N GLU A 17 2.636 -3.093 2.286 1.00 0.00 N ATOM 239 CA GLU A 17 2.781 -4.556 2.535 1.00 0.00 C ATOM 240 C GLU A 17 1.712 -5.001 3.529 1.00 0.00 C ATOM 241 O GLU A 17 1.398 -6.169 3.641 1.00 0.00 O ATOM 242 CB GLU A 17 4.170 -4.852 3.105 1.00 0.00 C ATOM 243 CG GLU A 17 5.220 -4.029 2.353 1.00 0.00 C ATOM 244 CD GLU A 17 6.568 -4.745 2.415 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.633 -5.797 3.029 1.00 0.00 O ATOM 246 OE2 GLU A 17 7.517 -4.228 1.847 1.00 0.00 O ATOM 0 H GLU A 17 3.456 -2.528 2.506 1.00 0.00 H new ATOM 0 HA GLU A 17 2.661 -5.099 1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.197 -4.611 4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.393 -5.915 3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.916 -3.893 1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.303 -3.036 2.794 1.00 0.00 H new ATOM 253 N ASN A 18 1.141 -4.073 4.246 1.00 0.00 N ATOM 254 CA ASN A 18 0.082 -4.437 5.226 1.00 0.00 C ATOM 255 C ASN A 18 -1.205 -4.767 4.471 1.00 0.00 C ATOM 256 O ASN A 18 -2.167 -5.241 5.044 1.00 0.00 O ATOM 257 CB ASN A 18 -0.166 -3.259 6.171 1.00 0.00 C ATOM 258 CG ASN A 18 0.243 -3.649 7.591 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.827 -4.693 7.802 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.040 -2.849 8.583 1.00 0.00 N ATOM 0 H ASN A 18 1.363 -3.079 4.195 1.00 0.00 H new ATOM 0 HA ASN A 18 0.399 -5.303 5.807 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.404 -2.390 5.843 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.219 -2.977 6.149 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.229 -3.101 9.534 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.530 -1.972 8.407 1.00 0.00 H new ATOM 267 N TYR A 19 -1.230 -4.524 3.188 1.00 0.00 N ATOM 268 CA TYR A 19 -2.456 -4.828 2.399 1.00 0.00 C ATOM 269 C TYR A 19 -2.371 -6.261 1.867 1.00 0.00 C ATOM 270 O TYR A 19 -3.330 -6.798 1.349 1.00 0.00 O ATOM 271 CB TYR A 19 -2.569 -3.847 1.228 1.00 0.00 C ATOM 272 CG TYR A 19 -3.299 -2.610 1.697 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.700 -2.588 1.711 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.575 -1.492 2.132 1.00 0.00 C ATOM 275 CE1 TYR A 19 -5.378 -1.447 2.158 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.254 -0.350 2.582 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.654 -0.329 2.595 1.00 0.00 C ATOM 278 OH TYR A 19 -5.325 0.792 3.042 1.00 0.00 O ATOM 0 H TYR A 19 -0.456 -4.129 2.654 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.335 -4.728 3.035 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.578 -3.583 0.860 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.104 -4.309 0.399 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.257 -3.451 1.377 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.495 -1.510 2.121 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.458 -1.428 2.166 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.697 0.512 2.918 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.679 1.445 3.384 1.00 0.00 H new ATOM 288 N CYS A 20 -1.233 -6.885 2.000 1.00 0.00 N ATOM 289 CA CYS A 20 -1.094 -8.285 1.511 1.00 0.00 C ATOM 290 C CYS A 20 -2.305 -9.101 1.961 1.00 0.00 C ATOM 291 O CYS A 20 -3.030 -8.712 2.856 1.00 0.00 O ATOM 292 CB CYS A 20 0.180 -8.903 2.093 1.00 0.00 C ATOM 293 SG CYS A 20 1.309 -9.343 0.752 1.00 0.00 S ATOM 0 H CYS A 20 -0.396 -6.487 2.425 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.036 -8.287 0.423 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.662 -8.198 2.770 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.068 -9.788 2.678 1.00 0.00 H new ATOM 298 N ASN A 21 -2.535 -10.228 1.349 1.00 0.00 N ATOM 299 CA ASN A 21 -3.705 -11.065 1.745 1.00 0.00 C ATOM 300 C ASN A 21 -3.700 -11.261 3.262 1.00 0.00 C ATOM 301 O ASN A 21 -2.646 -11.563 3.798 1.00 0.00 O ATOM 302 CB ASN A 21 -3.615 -12.428 1.052 1.00 0.00 C ATOM 303 CG ASN A 21 -2.510 -13.263 1.701 1.00 0.00 C ATOM 304 OD1 ASN A 21 -1.494 -12.736 2.112 1.00 0.00 O ATOM 305 ND2 ASN A 21 -2.664 -14.554 1.812 1.00 0.00 N ATOM 306 OXT ASN A 21 -4.753 -11.105 3.862 1.00 0.00 O ATOM 0 H ASN A 21 -1.965 -10.607 0.592 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.627 -10.567 1.446 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.570 -12.949 1.127 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.407 -12.294 -0.010 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.933 -15.120 2.243 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.516 -14.997 1.468 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.710 1.568 -2.562 1.00 0.00 N ATOM 315 CA PHE B 1 12.590 2.276 -3.244 1.00 0.00 C ATOM 316 C PHE B 1 12.803 3.788 -3.135 1.00 0.00 C ATOM 317 O PHE B 1 13.733 4.250 -2.503 1.00 0.00 O ATOM 318 CB PHE B 1 11.265 1.889 -2.582 1.00 0.00 C ATOM 319 CG PHE B 1 10.494 0.945 -3.482 1.00 0.00 C ATOM 320 CD1 PHE B 1 11.177 0.132 -4.398 1.00 0.00 C ATOM 321 CD2 PHE B 1 9.096 0.883 -3.399 1.00 0.00 C ATOM 322 CE1 PHE B 1 10.462 -0.740 -5.231 1.00 0.00 C ATOM 323 CE2 PHE B 1 8.382 0.010 -4.234 1.00 0.00 C ATOM 324 CZ PHE B 1 9.066 -0.800 -5.148 1.00 0.00 C ATOM 0 H1 PHE B 1 14.398 1.243 -3.271 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.178 2.217 -1.898 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.337 0.749 -2.041 1.00 0.00 H new ATOM 0 HA PHE B 1 12.562 1.992 -4.296 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.455 1.414 -1.620 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.672 2.782 -2.385 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.254 0.178 -4.462 1.00 0.00 H new ATOM 0 HD2 PHE B 1 8.569 1.507 -2.693 1.00 0.00 H new ATOM 0 HE1 PHE B 1 10.988 -1.365 -5.937 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.305 -0.037 -4.171 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.516 -1.472 -5.790 1.00 0.00 H new ATOM 336 N VAL B 2 11.954 4.562 -3.754 1.00 0.00 N ATOM 337 CA VAL B 2 12.105 6.044 -3.699 1.00 0.00 C ATOM 338 C VAL B 2 10.768 6.692 -4.051 1.00 0.00 C ATOM 339 O VAL B 2 10.042 6.190 -4.888 1.00 0.00 O ATOM 340 CB VAL B 2 13.171 6.481 -4.719 1.00 0.00 C ATOM 341 CG1 VAL B 2 13.168 5.518 -5.906 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.858 7.891 -5.225 1.00 0.00 C ATOM 0 H VAL B 2 11.158 4.230 -4.298 1.00 0.00 H new ATOM 0 HA VAL B 2 12.411 6.351 -2.699 1.00 0.00 H new ATOM 0 HB VAL B 2 14.148 6.473 -4.236 1.00 0.00 H new ATOM 0 HG11 VAL B 2 13.923 5.828 -6.628 1.00 0.00 H new ATOM 0 HG12 VAL B 2 13.392 4.510 -5.557 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.187 5.528 -6.380 1.00 0.00 H new ATOM 0 HG21 VAL B 2 13.616 8.195 -5.947 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.878 7.897 -5.703 1.00 0.00 H new ATOM 0 HG23 VAL B 2 12.856 8.587 -4.386 1.00 0.00 H new ATOM 352 N ASN B 3 10.453 7.813 -3.433 1.00 0.00 N ATOM 353 CA ASN B 3 9.167 8.528 -3.726 1.00 0.00 C ATOM 354 C ASN B 3 8.123 7.519 -4.193 1.00 0.00 C ATOM 355 O ASN B 3 7.997 7.246 -5.370 1.00 0.00 O ATOM 356 CB ASN B 3 9.401 9.566 -4.826 1.00 0.00 C ATOM 357 CG ASN B 3 10.325 10.666 -4.300 1.00 0.00 C ATOM 358 OD1 ASN B 3 11.492 10.431 -4.061 1.00 0.00 O ATOM 359 ND2 ASN B 3 9.846 11.865 -4.106 1.00 0.00 N ATOM 0 H ASN B 3 11.040 8.265 -2.732 1.00 0.00 H new ATOM 0 HA ASN B 3 8.813 9.028 -2.824 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.845 9.091 -5.701 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.451 9.995 -5.144 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.452 12.606 -3.753 1.00 0.00 H new ATOM 0 HD22 ASN B 3 8.865 12.061 -4.307 1.00 0.00 H new ATOM 366 N GLN B 4 7.409 6.930 -3.286 1.00 0.00 N ATOM 367 CA GLN B 4 6.422 5.907 -3.698 1.00 0.00 C ATOM 368 C GLN B 4 5.159 6.566 -4.253 1.00 0.00 C ATOM 369 O GLN B 4 4.268 6.951 -3.522 1.00 0.00 O ATOM 370 CB GLN B 4 6.050 5.038 -2.496 1.00 0.00 C ATOM 371 CG GLN B 4 6.651 3.643 -2.670 1.00 0.00 C ATOM 372 CD GLN B 4 8.128 3.771 -3.049 1.00 0.00 C ATOM 373 OE1 GLN B 4 8.969 3.968 -2.196 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.478 3.669 -4.301 1.00 0.00 N ATOM 0 H GLN B 4 7.465 7.111 -2.284 1.00 0.00 H new ATOM 0 HA GLN B 4 6.870 5.291 -4.478 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.419 5.493 -1.577 1.00 0.00 H new ATOM 0 HB3 GLN B 4 4.966 4.970 -2.405 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.549 3.073 -1.747 1.00 0.00 H new ATOM 0 HG3 GLN B 4 6.112 3.096 -3.443 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.770 3.503 -5.017 1.00 0.00 H new ATOM 0 HE22 GLN B 4 9.460 3.755 -4.565 1.00 0.00 H new ATOM 383 N HIS B 5 5.071 6.667 -5.551 1.00 0.00 N ATOM 384 CA HIS B 5 3.864 7.260 -6.182 1.00 0.00 C ATOM 385 C HIS B 5 3.061 6.124 -6.795 1.00 0.00 C ATOM 386 O HIS B 5 3.559 5.364 -7.602 1.00 0.00 O ATOM 387 CB HIS B 5 4.282 8.252 -7.271 1.00 0.00 C ATOM 388 CG HIS B 5 3.815 9.632 -6.896 1.00 0.00 C ATOM 389 ND1 HIS B 5 4.691 10.692 -6.818 1.00 0.00 N ATOM 390 CD2 HIS B 5 2.571 10.104 -6.579 1.00 0.00 C ATOM 391 CE1 HIS B 5 3.970 11.763 -6.462 1.00 0.00 C ATOM 392 NE2 HIS B 5 2.666 11.452 -6.305 1.00 0.00 N ATOM 0 H HIS B 5 5.791 6.361 -6.205 1.00 0.00 H new ATOM 0 HA HIS B 5 3.267 7.794 -5.443 1.00 0.00 H new ATOM 0 HB2 HIS B 5 5.365 8.243 -7.390 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.853 7.959 -8.229 1.00 0.00 H new ATOM 0 HD2 HIS B 5 1.664 9.518 -6.548 1.00 0.00 H new ATOM 0 HE1 HIS B 5 4.381 12.752 -6.319 1.00 0.00 H new ATOM 0 HE2 HIS B 5 1.909 12.082 -6.039 1.00 0.00 H new ATOM 400 N LEU B 6 1.832 5.976 -6.402 1.00 0.00 N ATOM 401 CA LEU B 6 1.020 4.860 -6.945 1.00 0.00 C ATOM 402 C LEU B 6 -0.341 5.377 -7.413 1.00 0.00 C ATOM 403 O LEU B 6 -1.052 6.034 -6.680 1.00 0.00 O ATOM 404 CB LEU B 6 0.818 3.819 -5.844 1.00 0.00 C ATOM 405 CG LEU B 6 2.044 2.910 -5.752 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.268 3.725 -5.324 1.00 0.00 C ATOM 407 CD2 LEU B 6 1.779 1.822 -4.713 1.00 0.00 C ATOM 0 H LEU B 6 1.356 6.578 -5.730 1.00 0.00 H new ATOM 0 HA LEU B 6 1.537 4.414 -7.795 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.651 4.316 -4.888 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.071 3.224 -6.053 1.00 0.00 H new ATOM 0 HG LEU B 6 2.235 2.461 -6.727 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.137 3.070 -5.261 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.457 4.509 -6.057 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.082 4.176 -4.349 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.648 1.169 -4.641 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.590 2.283 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU B 6 0.909 1.237 -5.012 1.00 0.00 H new ATOM 419 N CYS B 7 -0.712 5.076 -8.627 1.00 0.00 N ATOM 420 CA CYS B 7 -2.029 5.540 -9.140 1.00 0.00 C ATOM 421 C CYS B 7 -2.657 4.439 -9.997 1.00 0.00 C ATOM 422 O CYS B 7 -2.368 4.310 -11.170 1.00 0.00 O ATOM 423 CB CYS B 7 -1.839 6.803 -9.987 1.00 0.00 C ATOM 424 SG CYS B 7 -1.539 8.219 -8.899 1.00 0.00 S ATOM 0 H CYS B 7 -0.158 4.528 -9.286 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.685 5.767 -8.299 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.001 6.672 -10.671 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.724 6.981 -10.598 1.00 0.00 H new HETATM 429 N DAL B 8 -3.516 3.646 -9.416 1.00 0.00 N HETATM 430 CA DAL B 8 -4.166 2.550 -10.189 1.00 0.00 C HETATM 431 CB DAL B 8 -4.960 1.660 -9.232 1.00 0.00 C HETATM 432 C DAL B 8 -3.100 1.711 -10.904 1.00 0.00 C HETATM 433 O DAL B 8 -2.523 0.805 -10.333 1.00 0.00 O HETATM 0 HB3 DAL B 8 -4.286 1.233 -8.489 1.00 0.00 H new HETATM 0 HB2 DAL B 8 -5.723 2.255 -8.730 1.00 0.00 H new HETATM 0 HB1 DAL B 8 -5.437 0.857 -9.793 1.00 0.00 H new HETATM 0 HA DAL B 8 -4.837 2.981 -10.932 1.00 0.00 H new HETATM 0 H DAL B 8 -3.645 3.703 -8.406 1.00 0.00 H new ATOM 439 N SER B 9 -2.848 2.003 -12.149 1.00 0.00 N ATOM 440 CA SER B 9 -1.834 1.232 -12.923 1.00 0.00 C ATOM 441 C SER B 9 -0.618 0.941 -12.045 1.00 0.00 C ATOM 442 O SER B 9 -0.110 -0.161 -12.026 1.00 0.00 O ATOM 443 CB SER B 9 -1.394 2.045 -14.142 1.00 0.00 C ATOM 444 OG SER B 9 -1.902 3.369 -14.030 1.00 0.00 O ATOM 0 H SER B 9 -3.306 2.751 -12.670 1.00 0.00 H new ATOM 0 HA SER B 9 -2.276 0.291 -13.249 1.00 0.00 H new ATOM 0 HB2 SER B 9 -0.306 2.065 -14.208 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.760 1.578 -15.057 1.00 0.00 H new ATOM 0 HG SER B 9 -1.621 3.894 -14.808 1.00 0.00 H new ATOM 450 N ASP B 10 -0.150 1.913 -11.309 1.00 0.00 N ATOM 451 CA ASP B 10 1.029 1.672 -10.432 1.00 0.00 C ATOM 452 C ASP B 10 0.541 1.125 -9.099 1.00 0.00 C ATOM 453 O ASP B 10 1.180 0.300 -8.477 1.00 0.00 O ATOM 454 CB ASP B 10 1.787 2.979 -10.203 1.00 0.00 C ATOM 455 CG ASP B 10 1.647 3.880 -11.431 1.00 0.00 C ATOM 456 OD1 ASP B 10 0.548 4.349 -11.675 1.00 0.00 O ATOM 457 OD2 ASP B 10 2.642 4.083 -12.108 1.00 0.00 O ATOM 0 H ASP B 10 -0.532 2.858 -11.278 1.00 0.00 H new ATOM 0 HA ASP B 10 1.700 0.957 -10.908 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.397 3.487 -9.321 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.840 2.771 -10.011 1.00 0.00 H new ATOM 462 N LEU B 11 -0.599 1.568 -8.665 1.00 0.00 N ATOM 463 CA LEU B 11 -1.146 1.068 -7.378 1.00 0.00 C ATOM 464 C LEU B 11 -1.019 -0.451 -7.364 1.00 0.00 C ATOM 465 O LEU B 11 -0.329 -1.030 -6.549 1.00 0.00 O ATOM 466 CB LEU B 11 -2.631 1.426 -7.274 1.00 0.00 C ATOM 467 CG LEU B 11 -2.910 2.225 -5.990 1.00 0.00 C ATOM 468 CD1 LEU B 11 -2.159 1.593 -4.817 1.00 0.00 C ATOM 469 CD2 LEU B 11 -2.453 3.676 -6.159 1.00 0.00 C ATOM 0 H LEU B 11 -1.178 2.256 -9.146 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.601 1.516 -6.547 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.931 2.010 -8.144 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -3.231 0.516 -7.279 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.982 2.208 -5.793 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.359 2.161 -3.909 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.494 0.564 -4.682 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.089 1.602 -5.023 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -2.656 4.231 -5.243 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.383 3.699 -6.367 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.994 4.134 -6.988 1.00 0.00 H new ATOM 481 N VAL B 12 -1.694 -1.092 -8.276 1.00 0.00 N ATOM 482 CA VAL B 12 -1.642 -2.573 -8.351 1.00 0.00 C ATOM 483 C VAL B 12 -0.217 -3.021 -8.682 1.00 0.00 C ATOM 484 O VAL B 12 0.337 -3.885 -8.032 1.00 0.00 O ATOM 485 CB VAL B 12 -2.600 -3.044 -9.444 1.00 0.00 C ATOM 486 CG1 VAL B 12 -2.845 -4.540 -9.296 1.00 0.00 C ATOM 487 CG2 VAL B 12 -3.929 -2.297 -9.311 1.00 0.00 C ATOM 0 H VAL B 12 -2.284 -0.646 -8.978 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.935 -3.004 -7.394 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.163 -2.842 -10.422 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.529 -4.876 -10.076 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.899 -5.074 -9.388 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.283 -4.742 -8.318 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.614 -2.632 -10.090 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.365 -2.501 -8.333 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.756 -1.226 -9.415 1.00 0.00 H new ATOM 497 N GLU B 13 0.386 -2.439 -9.683 1.00 0.00 N ATOM 498 CA GLU B 13 1.776 -2.835 -10.043 1.00 0.00 C ATOM 499 C GLU B 13 2.653 -2.767 -8.795 1.00 0.00 C ATOM 500 O GLU B 13 3.606 -3.507 -8.649 1.00 0.00 O ATOM 501 CB GLU B 13 2.326 -1.875 -11.099 1.00 0.00 C ATOM 502 CG GLU B 13 2.681 -2.657 -12.365 1.00 0.00 C ATOM 503 CD GLU B 13 1.427 -2.834 -13.225 1.00 0.00 C ATOM 504 OE1 GLU B 13 0.581 -3.629 -12.849 1.00 0.00 O ATOM 505 OE2 GLU B 13 1.334 -2.171 -14.245 1.00 0.00 O ATOM 0 H GLU B 13 -0.023 -1.708 -10.265 1.00 0.00 H new ATOM 0 HA GLU B 13 1.775 -3.849 -10.442 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.587 -1.108 -11.328 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.209 -1.363 -10.716 1.00 0.00 H new ATOM 0 HG2 GLU B 13 3.449 -2.128 -12.928 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.094 -3.631 -12.100 1.00 0.00 H new ATOM 512 N ALA B 14 2.333 -1.886 -7.890 1.00 0.00 N ATOM 513 CA ALA B 14 3.139 -1.769 -6.648 1.00 0.00 C ATOM 514 C ALA B 14 2.824 -2.957 -5.745 1.00 0.00 C ATOM 515 O ALA B 14 3.675 -3.776 -5.457 1.00 0.00 O ATOM 516 CB ALA B 14 2.772 -0.469 -5.933 1.00 0.00 C ATOM 0 H ALA B 14 1.546 -1.241 -7.959 1.00 0.00 H new ATOM 0 HA ALA B 14 4.202 -1.761 -6.888 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.360 -0.377 -5.020 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.982 0.378 -6.587 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.711 -0.479 -5.682 1.00 0.00 H new ATOM 522 N LEU B 15 1.601 -3.067 -5.312 1.00 0.00 N ATOM 523 CA LEU B 15 1.219 -4.213 -4.443 1.00 0.00 C ATOM 524 C LEU B 15 1.746 -5.496 -5.079 1.00 0.00 C ATOM 525 O LEU B 15 2.002 -6.478 -4.412 1.00 0.00 O ATOM 526 CB LEU B 15 -0.305 -4.280 -4.327 1.00 0.00 C ATOM 527 CG LEU B 15 -0.807 -3.046 -3.565 1.00 0.00 C ATOM 528 CD1 LEU B 15 -2.287 -2.793 -3.874 1.00 0.00 C ATOM 529 CD2 LEU B 15 -0.636 -3.274 -2.063 1.00 0.00 C ATOM 0 H LEU B 15 0.848 -2.412 -5.522 1.00 0.00 H new ATOM 0 HA LEU B 15 1.643 -4.090 -3.447 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.756 -4.318 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.603 -5.190 -3.806 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.227 -2.178 -3.878 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.628 -1.915 -3.326 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.412 -2.625 -4.944 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.875 -3.660 -3.572 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.992 -2.399 -1.519 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.212 -4.148 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.418 -3.438 -1.837 1.00 0.00 H new ATOM 541 N TYR B 16 1.915 -5.483 -6.370 1.00 0.00 N ATOM 542 CA TYR B 16 2.435 -6.689 -7.068 1.00 0.00 C ATOM 543 C TYR B 16 3.881 -6.937 -6.633 1.00 0.00 C ATOM 544 O TYR B 16 4.256 -8.043 -6.297 1.00 0.00 O ATOM 545 CB TYR B 16 2.390 -6.454 -8.579 1.00 0.00 C ATOM 546 CG TYR B 16 2.655 -7.752 -9.304 1.00 0.00 C ATOM 547 CD1 TYR B 16 2.024 -8.930 -8.882 1.00 0.00 C ATOM 548 CD2 TYR B 16 3.526 -7.777 -10.400 1.00 0.00 C ATOM 549 CE1 TYR B 16 2.268 -10.134 -9.558 1.00 0.00 C ATOM 550 CE2 TYR B 16 3.771 -8.979 -11.073 1.00 0.00 C ATOM 551 CZ TYR B 16 3.140 -10.159 -10.653 1.00 0.00 C ATOM 552 OH TYR B 16 3.380 -11.343 -11.320 1.00 0.00 O ATOM 0 H TYR B 16 1.715 -4.686 -6.974 1.00 0.00 H new ATOM 0 HA TYR B 16 1.824 -7.555 -6.815 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.416 -6.058 -8.866 1.00 0.00 H new ATOM 0 HB3 TYR B 16 3.133 -5.709 -8.863 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.351 -8.911 -8.038 1.00 0.00 H new ATOM 0 HD2 TYR B 16 4.009 -6.868 -10.726 1.00 0.00 H new ATOM 0 HE1 TYR B 16 1.783 -11.043 -9.234 1.00 0.00 H new ATOM 0 HE2 TYR B 16 4.446 -8.998 -11.916 1.00 0.00 H new ATOM 0 HH TYR B 16 4.008 -11.183 -12.055 1.00 0.00 H new ATOM 562 N LEU B 17 4.693 -5.916 -6.636 1.00 0.00 N ATOM 563 CA LEU B 17 6.115 -6.090 -6.224 1.00 0.00 C ATOM 564 C LEU B 17 6.206 -6.158 -4.698 1.00 0.00 C ATOM 565 O LEU B 17 6.776 -7.075 -4.141 1.00 0.00 O ATOM 566 CB LEU B 17 6.941 -4.909 -6.734 1.00 0.00 C ATOM 567 CG LEU B 17 7.893 -5.386 -7.831 1.00 0.00 C ATOM 568 CD1 LEU B 17 7.864 -4.400 -9.001 1.00 0.00 C ATOM 569 CD2 LEU B 17 9.314 -5.467 -7.270 1.00 0.00 C ATOM 0 H LEU B 17 4.433 -4.967 -6.906 1.00 0.00 H new ATOM 0 HA LEU B 17 6.503 -7.016 -6.648 1.00 0.00 H new ATOM 0 HB2 LEU B 17 6.282 -4.132 -7.122 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.507 -4.467 -5.914 1.00 0.00 H new ATOM 0 HG LEU B 17 7.580 -6.370 -8.179 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.543 -4.742 -9.782 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.852 -4.340 -9.401 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.176 -3.415 -8.654 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.995 -5.807 -8.051 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.624 -4.482 -6.922 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.337 -6.170 -6.437 1.00 0.00 H new ATOM 581 N VAL B 18 5.653 -5.192 -4.015 1.00 0.00 N ATOM 582 CA VAL B 18 5.719 -5.208 -2.522 1.00 0.00 C ATOM 583 C VAL B 18 5.118 -6.512 -2.008 1.00 0.00 C ATOM 584 O VAL B 18 5.599 -7.098 -1.057 1.00 0.00 O ATOM 585 CB VAL B 18 4.940 -4.028 -1.928 1.00 0.00 C ATOM 586 CG1 VAL B 18 5.897 -2.875 -1.647 1.00 0.00 C ATOM 587 CG2 VAL B 18 3.859 -3.557 -2.901 1.00 0.00 C ATOM 0 H VAL B 18 5.161 -4.396 -4.422 1.00 0.00 H new ATOM 0 HA VAL B 18 6.763 -5.125 -2.219 1.00 0.00 H new ATOM 0 HB VAL B 18 4.467 -4.354 -1.002 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.343 -2.037 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.659 -3.199 -0.939 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.374 -2.563 -2.576 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.316 -2.719 -2.464 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.323 -3.241 -3.835 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.166 -4.375 -3.099 1.00 0.00 H new ATOM 597 N CYS B 19 4.068 -6.975 -2.625 1.00 0.00 N ATOM 598 CA CYS B 19 3.443 -8.243 -2.163 1.00 0.00 C ATOM 599 C CYS B 19 3.602 -9.314 -3.245 1.00 0.00 C ATOM 600 O CYS B 19 4.313 -10.283 -3.070 1.00 0.00 O ATOM 601 CB CYS B 19 1.956 -8.013 -1.882 1.00 0.00 C ATOM 602 SG CYS B 19 1.731 -7.581 -0.140 1.00 0.00 S ATOM 0 H CYS B 19 3.617 -6.532 -3.426 1.00 0.00 H new ATOM 0 HA CYS B 19 3.934 -8.576 -1.248 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.574 -7.214 -2.518 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.387 -8.911 -2.121 1.00 0.00 H new ATOM 607 N GLY B 20 2.949 -9.146 -4.362 1.00 0.00 N ATOM 608 CA GLY B 20 3.069 -10.153 -5.453 1.00 0.00 C ATOM 609 C GLY B 20 2.016 -11.245 -5.276 1.00 0.00 C ATOM 610 O GLY B 20 0.866 -10.978 -4.983 1.00 0.00 O ATOM 0 H GLY B 20 2.338 -8.355 -4.566 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.943 -9.669 -6.421 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.066 -10.593 -5.444 1.00 0.00 H new ATOM 614 N GLU B 21 2.403 -12.477 -5.454 1.00 0.00 N ATOM 615 CA GLU B 21 1.436 -13.599 -5.306 1.00 0.00 C ATOM 616 C GLU B 21 0.956 -13.689 -3.855 1.00 0.00 C ATOM 617 O GLU B 21 0.050 -14.434 -3.541 1.00 0.00 O ATOM 618 CB GLU B 21 2.124 -14.908 -5.697 1.00 0.00 C ATOM 619 CG GLU B 21 3.450 -15.030 -4.940 1.00 0.00 C ATOM 620 CD GLU B 21 3.500 -16.375 -4.211 1.00 0.00 C ATOM 621 OE1 GLU B 21 2.525 -16.710 -3.560 1.00 0.00 O ATOM 622 OE2 GLU B 21 4.515 -17.043 -4.314 1.00 0.00 O ATOM 0 H GLU B 21 3.353 -12.756 -5.697 1.00 0.00 H new ATOM 0 HA GLU B 21 0.577 -13.423 -5.954 1.00 0.00 H new ATOM 0 HB2 GLU B 21 1.479 -15.755 -5.463 1.00 0.00 H new ATOM 0 HB3 GLU B 21 2.303 -14.931 -6.772 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.286 -14.949 -5.635 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.549 -14.213 -4.225 1.00 0.00 H new ATOM 629 N ARG B 22 1.549 -12.939 -2.969 1.00 0.00 N ATOM 630 CA ARG B 22 1.113 -12.992 -1.545 1.00 0.00 C ATOM 631 C ARG B 22 -0.397 -12.764 -1.472 1.00 0.00 C ATOM 632 O ARG B 22 -1.041 -13.119 -0.506 1.00 0.00 O ATOM 633 CB ARG B 22 1.831 -11.907 -0.737 1.00 0.00 C ATOM 634 CG ARG B 22 3.290 -12.308 -0.518 1.00 0.00 C ATOM 635 CD ARG B 22 3.556 -12.467 0.979 1.00 0.00 C ATOM 636 NE ARG B 22 2.836 -13.669 1.485 1.00 0.00 N ATOM 637 CZ ARG B 22 3.472 -14.796 1.640 1.00 0.00 C ATOM 638 NH1 ARG B 22 4.596 -14.827 2.302 1.00 0.00 N ATOM 639 NH2 ARG B 22 2.987 -15.896 1.131 1.00 0.00 N ATOM 0 H ARG B 22 2.314 -12.294 -3.167 1.00 0.00 H new ATOM 0 HA ARG B 22 1.360 -13.969 -1.129 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.781 -10.954 -1.264 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.334 -11.766 0.223 1.00 0.00 H new ATOM 0 HG2 ARG B 22 3.503 -13.242 -1.037 1.00 0.00 H new ATOM 0 HG3 ARG B 22 3.953 -11.551 -0.938 1.00 0.00 H new ATOM 0 HD2 ARG B 22 4.626 -12.567 1.161 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.224 -11.578 1.515 1.00 0.00 H new ATOM 0 HE ARG B 22 1.843 -13.610 1.711 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.978 -13.969 2.699 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.093 -15.710 2.423 1.00 0.00 H new ATOM 0 HH21 ARG B 22 2.110 -15.874 0.611 1.00 0.00 H new ATOM 0 HH22 ARG B 22 3.486 -16.777 1.253 1.00 0.00 H new ATOM 653 N GLY B 23 -0.962 -12.176 -2.488 1.00 0.00 N ATOM 654 CA GLY B 23 -2.433 -11.927 -2.480 1.00 0.00 C ATOM 655 C GLY B 23 -2.705 -10.470 -2.080 1.00 0.00 C ATOM 656 O GLY B 23 -3.154 -10.197 -0.986 1.00 0.00 O ATOM 0 H GLY B 23 -0.471 -11.857 -3.323 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.852 -12.129 -3.466 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.923 -12.605 -1.781 1.00 0.00 H new ATOM 660 N PHE B 24 -2.441 -9.529 -2.951 1.00 0.00 N ATOM 661 CA PHE B 24 -2.692 -8.102 -2.602 1.00 0.00 C ATOM 662 C PHE B 24 -4.011 -7.647 -3.220 1.00 0.00 C ATOM 663 O PHE B 24 -4.440 -8.138 -4.247 1.00 0.00 O ATOM 664 CB PHE B 24 -1.552 -7.220 -3.124 1.00 0.00 C ATOM 665 CG PHE B 24 -1.647 -7.089 -4.628 1.00 0.00 C ATOM 666 CD1 PHE B 24 -2.397 -6.052 -5.206 1.00 0.00 C ATOM 667 CD2 PHE B 24 -0.988 -8.015 -5.448 1.00 0.00 C ATOM 668 CE1 PHE B 24 -2.485 -5.948 -6.600 1.00 0.00 C ATOM 669 CE2 PHE B 24 -1.080 -7.912 -6.840 1.00 0.00 C ATOM 670 CZ PHE B 24 -1.826 -6.880 -7.418 1.00 0.00 C ATOM 0 H PHE B 24 -2.064 -9.689 -3.885 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.745 -8.009 -1.517 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.602 -6.235 -2.661 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.590 -7.653 -2.848 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -2.905 -5.336 -4.577 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.408 -8.810 -5.004 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -3.060 -5.150 -7.046 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -0.575 -8.630 -7.469 1.00 0.00 H new ATOM 0 HZ PHE B 24 -1.895 -6.800 -8.493 1.00 0.00 H new ATOM 680 N PHE B 25 -4.654 -6.708 -2.594 1.00 0.00 N ATOM 681 CA PHE B 25 -5.953 -6.199 -3.120 1.00 0.00 C ATOM 682 C PHE B 25 -6.172 -4.767 -2.627 1.00 0.00 C ATOM 683 O PHE B 25 -6.582 -4.546 -1.505 1.00 0.00 O ATOM 684 CB PHE B 25 -7.089 -7.086 -2.609 1.00 0.00 C ATOM 685 CG PHE B 25 -7.123 -7.036 -1.101 1.00 0.00 C ATOM 686 CD1 PHE B 25 -6.049 -7.546 -0.358 1.00 0.00 C ATOM 687 CD2 PHE B 25 -8.227 -6.477 -0.442 1.00 0.00 C ATOM 688 CE1 PHE B 25 -6.081 -7.498 1.042 1.00 0.00 C ATOM 689 CE2 PHE B 25 -8.256 -6.428 0.958 1.00 0.00 C ATOM 690 CZ PHE B 25 -7.184 -6.939 1.701 1.00 0.00 C ATOM 0 H PHE B 25 -4.336 -6.265 -1.732 1.00 0.00 H new ATOM 0 HA PHE B 25 -5.937 -6.215 -4.210 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.041 -6.747 -3.017 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.944 -8.112 -2.947 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -5.197 -7.976 -0.865 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -9.055 -6.084 -1.013 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -5.254 -7.892 1.614 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.106 -5.996 1.465 1.00 0.00 H new ATOM 0 HZ PHE B 25 -7.208 -6.902 2.780 1.00 0.00 H new ATOM 700 N TYR B 26 -5.905 -3.793 -3.452 1.00 0.00 N ATOM 701 CA TYR B 26 -6.103 -2.382 -3.021 1.00 0.00 C ATOM 702 C TYR B 26 -7.598 -2.051 -3.045 1.00 0.00 C ATOM 703 O TYR B 26 -8.399 -2.790 -3.581 1.00 0.00 O ATOM 704 CB TYR B 26 -5.324 -1.443 -3.957 1.00 0.00 C ATOM 705 CG TYR B 26 -6.161 -1.087 -5.166 1.00 0.00 C ATOM 706 CD1 TYR B 26 -6.957 -2.062 -5.782 1.00 0.00 C ATOM 707 CD2 TYR B 26 -6.143 0.221 -5.665 1.00 0.00 C ATOM 708 CE1 TYR B 26 -7.734 -1.727 -6.899 1.00 0.00 C ATOM 709 CE2 TYR B 26 -6.920 0.556 -6.781 1.00 0.00 C ATOM 710 CZ TYR B 26 -7.716 -0.418 -7.397 1.00 0.00 C ATOM 711 OH TYR B 26 -8.484 -0.089 -8.495 1.00 0.00 O ATOM 0 H TYR B 26 -5.559 -3.913 -4.404 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.729 -2.248 -2.006 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.044 -0.536 -3.421 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.399 -1.923 -4.276 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.972 -3.071 -5.396 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.530 0.972 -5.189 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -8.347 -2.478 -7.376 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.905 1.565 -7.166 1.00 0.00 H new ATOM 0 HH TYR B 26 -8.357 0.859 -8.711 1.00 0.00 H new ATOM 721 N THR B 27 -7.984 -0.944 -2.469 1.00 0.00 N ATOM 722 CA THR B 27 -9.427 -0.574 -2.466 1.00 0.00 C ATOM 723 C THR B 27 -9.763 0.183 -3.752 1.00 0.00 C ATOM 724 O THR B 27 -9.049 1.074 -4.164 1.00 0.00 O ATOM 725 CB THR B 27 -9.725 0.319 -1.259 1.00 0.00 C ATOM 726 OG1 THR B 27 -8.504 0.791 -0.706 1.00 0.00 O ATOM 727 CG2 THR B 27 -10.489 -0.486 -0.206 1.00 0.00 C ATOM 0 H THR B 27 -7.364 -0.282 -2.002 1.00 0.00 H new ATOM 0 HA THR B 27 -10.032 -1.479 -2.407 1.00 0.00 H new ATOM 0 HB THR B 27 -10.331 1.168 -1.575 1.00 0.00 H new ATOM 0 HG1 THR B 27 -8.615 0.933 0.257 1.00 0.00 H new ATOM 0 HG21 THR B 27 -10.702 0.149 0.654 1.00 0.00 H new ATOM 0 HG22 THR B 27 -11.426 -0.846 -0.632 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.885 -1.336 0.111 1.00 0.00 H new ATOM 735 N LYS B 28 -10.844 -0.168 -4.392 1.00 0.00 N ATOM 736 CA LYS B 28 -11.223 0.530 -5.653 1.00 0.00 C ATOM 737 C LYS B 28 -11.222 2.046 -5.423 1.00 0.00 C ATOM 738 O LYS B 28 -10.579 2.776 -6.149 1.00 0.00 O ATOM 739 CB LYS B 28 -12.618 0.078 -6.090 1.00 0.00 C ATOM 740 CG LYS B 28 -12.499 -0.843 -7.305 1.00 0.00 C ATOM 741 CD LYS B 28 -12.707 -0.031 -8.584 1.00 0.00 C ATOM 742 CE LYS B 28 -14.171 -0.127 -9.019 1.00 0.00 C ATOM 743 NZ LYS B 28 -14.237 -0.307 -10.497 1.00 0.00 N ATOM 0 H LYS B 28 -11.481 -0.908 -4.097 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.502 0.283 -6.433 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.115 -0.444 -5.272 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -13.232 0.944 -6.336 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.518 -1.319 -7.319 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -13.239 -1.641 -7.244 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -12.435 1.011 -8.414 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.057 -0.405 -9.375 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -14.657 -0.964 -8.518 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -14.709 0.775 -8.727 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -15.231 -0.372 -10.795 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -13.788 0.505 -10.966 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -13.738 -1.180 -10.763 1.00 0.00 H new ATOM 757 N PRO B 29 -11.943 2.473 -4.416 1.00 0.00 N ATOM 758 CA PRO B 29 -12.045 3.902 -4.069 1.00 0.00 C ATOM 759 C PRO B 29 -10.793 4.359 -3.312 1.00 0.00 C ATOM 760 O PRO B 29 -10.032 5.176 -3.790 1.00 0.00 O ATOM 761 CB PRO B 29 -13.278 3.964 -3.165 1.00 0.00 C ATOM 762 CG PRO B 29 -13.476 2.540 -2.594 1.00 0.00 C ATOM 763 CD PRO B 29 -12.724 1.579 -3.535 1.00 0.00 C ATOM 0 HA PRO B 29 -12.127 4.550 -4.942 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -13.135 4.687 -2.362 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -14.156 4.282 -3.727 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -13.086 2.472 -1.579 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -14.535 2.286 -2.546 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -12.076 0.902 -2.978 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -13.415 0.960 -4.107 1.00 0.00 H new ATOM 771 N THR B 30 -10.576 3.837 -2.138 1.00 0.00 N ATOM 772 CA THR B 30 -9.376 4.238 -1.351 1.00 0.00 C ATOM 773 C THR B 30 -9.415 3.566 0.021 1.00 0.00 C ATOM 774 O THR B 30 -8.398 3.575 0.694 1.00 0.00 O ATOM 775 CB THR B 30 -9.370 5.760 -1.175 1.00 0.00 C ATOM 776 OG1 THR B 30 -8.318 6.128 -0.294 1.00 0.00 O ATOM 777 CG2 THR B 30 -10.710 6.212 -0.593 1.00 0.00 C ATOM 778 OXT THR B 30 -10.462 3.050 0.376 1.00 0.00 O ATOM 0 H THR B 30 -11.179 3.148 -1.688 1.00 0.00 H new ATOM 0 HA THR B 30 -8.474 3.928 -1.879 1.00 0.00 H new ATOM 0 HB THR B 30 -9.218 6.239 -2.142 1.00 0.00 H new ATOM 0 HG1 THR B 30 -7.969 5.328 0.151 1.00 0.00 H new ATOM 0 HG21 THR B 30 -10.706 7.295 -0.468 1.00 0.00 H new ATOM 0 HG22 THR B 30 -11.515 5.928 -1.271 1.00 0.00 H new ATOM 0 HG23 THR B 30 -10.866 5.736 0.375 1.00 0.00 H new TER 786 THR B 30