USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 643 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 21 THR OG1 : rot 67:sc= -0.5 USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= -0.366 USER MOD Set 2.1: A 59 SER OG : rot 130:sc= -2.67! USER MOD Set 2.2: A 66 SER OG : rot 123:sc= -1.21! USER MOD Set 3.1: A 20 MET CE :methyl -145:sc= -0.263 (180deg=-1.09) USER MOD Set 3.2: A 80 LYS NZ :NH3+ 174:sc= 0.548 (180deg=0.321) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.421 X(o=0.42,f=-0.0075) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot -37:sc= 0.751 USER MOD Single : A 19 SER OG : rot 105:sc= 0.592 USER MOD Single : A 24 TYR OH : rot 180:sc= -0.0476 USER MOD Single : A 30 MET CE :methyl 138:sc= -1.02 (180deg=-4.59!) USER MOD Single : A 41 GLN : amide:sc= 0.0981 X(o=0.098,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 44 LYS NZ :NH3+ -154:sc= 1.23 (180deg=0.253) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 49 SER OG : rot -84:sc= 0.473 USER MOD Single : A 51 CYS SG : rot -60:sc= -0.919 USER MOD Single : A 52 LYS NZ :NH3+ 148:sc= 1.25 (180deg=1.09) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.545 F(o=-1.4,f=-0.55) USER MOD Single : A 56 SER OG : rot 180:sc= 0.469 USER MOD Single : A 68 SER OG : rot -29:sc= 1.21 USER MOD Single : A 75 SER OG : rot -56:sc= 0.598 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ -120:sc= 0.0617 (180deg=-0.205) USER MOD Single : A 81 MET CE :methyl 164:sc= 0 (180deg=-0.379) USER MOD Single : A 82 MET CE :methyl -158:sc= 0 (180deg=-0.845) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 7 13.566 4.952 1.375 1.00 0.00 N ATOM 32 CA SER A 7 13.738 4.745 -0.062 1.00 0.00 C ATOM 33 C SER A 7 13.271 3.337 -0.432 1.00 0.00 C ATOM 34 O SER A 7 12.142 3.142 -0.879 1.00 0.00 O ATOM 35 CB SER A 7 15.202 4.925 -0.503 1.00 0.00 C ATOM 36 OG SER A 7 15.637 6.268 -0.386 1.00 0.00 O ATOM 0 HA SER A 7 13.139 5.496 -0.577 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.843 4.284 0.102 1.00 0.00 H new ATOM 0 HB3 SER A 7 15.310 4.599 -1.537 1.00 0.00 H new ATOM 0 HG SER A 7 16.571 6.336 -0.675 1.00 0.00 H new ATOM 42 N GLN A 8 14.144 2.359 -0.200 1.00 0.00 N ATOM 43 CA GLN A 8 13.856 0.955 -0.482 1.00 0.00 C ATOM 44 C GLN A 8 15.008 0.080 -0.019 1.00 0.00 C ATOM 45 O GLN A 8 16.117 0.567 0.209 1.00 0.00 O ATOM 46 CB GLN A 8 13.621 0.709 -1.977 1.00 0.00 C ATOM 47 CG GLN A 8 14.766 1.166 -2.867 1.00 0.00 C ATOM 48 CD GLN A 8 14.565 0.797 -4.324 1.00 0.00 C ATOM 49 OE1 GLN A 8 15.529 0.590 -5.059 1.00 0.00 O ATOM 50 NE2 GLN A 8 13.317 0.694 -4.752 1.00 0.00 N ATOM 0 H GLN A 8 15.073 2.519 0.190 1.00 0.00 H new ATOM 0 HA GLN A 8 12.945 0.700 0.060 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.453 -0.356 -2.137 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.710 1.225 -2.281 1.00 0.00 H new ATOM 0 HG2 GLN A 8 14.875 2.247 -2.783 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.696 0.723 -2.510 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.542 0.873 -4.113 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.130 0.435 -5.721 1.00 0.00 H new ATOM 59 N LEU A 9 14.740 -1.208 0.107 1.00 0.00 N ATOM 60 CA LEU A 9 15.752 -2.172 0.485 1.00 0.00 C ATOM 61 C LEU A 9 15.612 -3.448 -0.335 1.00 0.00 C ATOM 62 O LEU A 9 14.675 -4.214 -0.142 1.00 0.00 O ATOM 63 CB LEU A 9 15.660 -2.513 1.978 1.00 0.00 C ATOM 64 CG LEU A 9 16.092 -1.404 2.938 1.00 0.00 C ATOM 65 CD1 LEU A 9 15.890 -1.844 4.379 1.00 0.00 C ATOM 66 CD2 LEU A 9 17.547 -1.029 2.697 1.00 0.00 C ATOM 0 H LEU A 9 13.817 -1.612 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 9 16.724 -1.721 0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.630 -2.786 2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 9 16.273 -3.394 2.169 1.00 0.00 H new ATOM 0 HG LEU A 9 15.474 -0.526 2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.202 -1.044 5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 9 14.837 -2.069 4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 9 16.486 -2.735 4.574 1.00 0.00 H new ATOM 0 HD21 LEU A 9 17.838 -0.238 3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 9 18.179 -1.902 2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 9 17.667 -0.677 1.672 1.00 0.00 H new ATOM 78 N GLY A 10 16.531 -3.657 -1.265 1.00 0.00 N ATOM 79 CA GLY A 10 16.603 -4.931 -1.972 1.00 0.00 C ATOM 80 C GLY A 10 17.987 -5.559 -1.907 1.00 0.00 C ATOM 81 O GLY A 10 18.588 -5.833 -2.948 1.00 0.00 O ATOM 0 H GLY A 10 17.231 -2.971 -1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.875 -5.621 -1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.325 -4.780 -3.015 1.00 0.00 H new ATOM 85 N PRO A 11 18.529 -5.818 -0.697 1.00 0.00 N ATOM 86 CA PRO A 11 19.858 -6.390 -0.529 1.00 0.00 C ATOM 87 C PRO A 11 19.824 -7.913 -0.396 1.00 0.00 C ATOM 88 O PRO A 11 20.863 -8.566 -0.298 1.00 0.00 O ATOM 89 CB PRO A 11 20.324 -5.744 0.773 1.00 0.00 C ATOM 90 CG PRO A 11 19.074 -5.514 1.571 1.00 0.00 C ATOM 91 CD PRO A 11 17.903 -5.577 0.615 1.00 0.00 C ATOM 0 HA PRO A 11 20.510 -6.204 -1.383 1.00 0.00 H new ATOM 0 HB2 PRO A 11 21.018 -6.393 1.307 1.00 0.00 H new ATOM 0 HB3 PRO A 11 20.847 -4.807 0.582 1.00 0.00 H new ATOM 0 HG2 PRO A 11 18.973 -6.269 2.351 1.00 0.00 H new ATOM 0 HG3 PRO A 11 19.110 -4.545 2.069 1.00 0.00 H new ATOM 0 HD2 PRO A 11 17.213 -6.377 0.881 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.332 -4.648 0.621 1.00 0.00 H new ATOM 99 N ILE A 12 18.621 -8.470 -0.396 1.00 0.00 N ATOM 100 CA ILE A 12 18.434 -9.908 -0.292 1.00 0.00 C ATOM 101 C ILE A 12 17.565 -10.399 -1.439 1.00 0.00 C ATOM 102 O ILE A 12 16.726 -9.660 -1.948 1.00 0.00 O ATOM 103 CB ILE A 12 17.789 -10.310 1.055 1.00 0.00 C ATOM 104 CG1 ILE A 12 16.465 -9.571 1.265 1.00 0.00 C ATOM 105 CG2 ILE A 12 18.746 -10.034 2.205 1.00 0.00 C ATOM 106 CD1 ILE A 12 15.739 -9.972 2.531 1.00 0.00 C ATOM 0 H ILE A 12 17.752 -7.940 -0.468 1.00 0.00 H new ATOM 0 HA ILE A 12 19.418 -10.373 -0.344 1.00 0.00 H new ATOM 0 HB ILE A 12 17.579 -11.379 1.029 1.00 0.00 H new ATOM 0 HG12 ILE A 12 16.658 -8.499 1.291 1.00 0.00 H new ATOM 0 HG13 ILE A 12 15.815 -9.757 0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 12 18.277 -10.322 3.146 1.00 0.00 H new ATOM 0 HG22 ILE A 12 19.660 -10.610 2.064 1.00 0.00 H new ATOM 0 HG23 ILE A 12 18.987 -8.971 2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.810 -9.407 2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 12 15.514 -11.038 2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 12 16.369 -9.760 3.395 1.00 0.00 H new ATOM 118 N HIS A 13 17.793 -11.628 -1.869 1.00 0.00 N ATOM 119 CA HIS A 13 17.061 -12.192 -3.000 1.00 0.00 C ATOM 120 C HIS A 13 15.771 -12.957 -2.630 1.00 0.00 C ATOM 121 O HIS A 13 14.966 -13.196 -3.528 1.00 0.00 O ATOM 122 CB HIS A 13 17.966 -13.100 -3.833 1.00 0.00 C ATOM 123 CG HIS A 13 18.854 -12.353 -4.776 1.00 0.00 C ATOM 124 ND1 HIS A 13 20.216 -12.257 -4.612 1.00 0.00 N ATOM 125 CD2 HIS A 13 18.568 -11.680 -5.916 1.00 0.00 C ATOM 126 CE1 HIS A 13 20.729 -11.554 -5.601 1.00 0.00 C ATOM 127 NE2 HIS A 13 19.751 -11.193 -6.404 1.00 0.00 N ATOM 0 H HIS A 13 18.479 -12.258 -1.454 1.00 0.00 H new ATOM 0 HA HIS A 13 16.743 -11.325 -3.579 1.00 0.00 H new ATOM 0 HB2 HIS A 13 18.583 -13.699 -3.163 1.00 0.00 H new ATOM 0 HB3 HIS A 13 17.347 -13.794 -4.402 1.00 0.00 H new ATOM 0 HD2 HIS A 13 17.591 -11.552 -6.357 1.00 0.00 H new ATOM 0 HE1 HIS A 13 21.774 -11.315 -5.731 1.00 0.00 H new ATOM 0 HE2 HIS A 13 19.857 -10.639 -7.254 1.00 0.00 H new ATOM 136 N PRO A 14 15.565 -13.425 -1.361 1.00 0.00 N ATOM 137 CA PRO A 14 14.285 -14.007 -0.927 1.00 0.00 C ATOM 138 C PRO A 14 13.044 -13.296 -1.488 1.00 0.00 C ATOM 139 O PRO A 14 13.122 -12.166 -1.968 1.00 0.00 O ATOM 140 CB PRO A 14 14.328 -13.820 0.587 1.00 0.00 C ATOM 141 CG PRO A 14 15.767 -13.895 0.951 1.00 0.00 C ATOM 142 CD PRO A 14 16.565 -13.536 -0.280 1.00 0.00 C ATOM 0 HA PRO A 14 14.190 -15.036 -1.275 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.898 -12.861 0.877 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.753 -14.594 1.095 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.992 -13.209 1.768 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.024 -14.897 1.296 1.00 0.00 H new ATOM 0 HD2 PRO A 14 17.104 -12.599 -0.142 1.00 0.00 H new ATOM 0 HD3 PRO A 14 17.308 -14.301 -0.506 1.00 0.00 H new ATOM 150 N PRO A 15 11.879 -13.959 -1.441 1.00 0.00 N ATOM 151 CA PRO A 15 10.600 -13.351 -1.831 1.00 0.00 C ATOM 152 C PRO A 15 10.371 -12.001 -1.144 1.00 0.00 C ATOM 153 O PRO A 15 10.864 -11.766 -0.035 1.00 0.00 O ATOM 154 CB PRO A 15 9.570 -14.372 -1.353 1.00 0.00 C ATOM 155 CG PRO A 15 10.289 -15.672 -1.380 1.00 0.00 C ATOM 156 CD PRO A 15 11.717 -15.363 -1.027 1.00 0.00 C ATOM 0 HA PRO A 15 10.551 -13.142 -2.900 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.215 -14.136 -0.350 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.697 -14.389 -2.005 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.854 -16.373 -0.668 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.222 -16.135 -2.365 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.903 -15.491 0.039 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.411 -16.019 -1.553 1.00 0.00 H new ATOM 164 N PRO A 16 9.593 -11.105 -1.783 1.00 0.00 N ATOM 165 CA PRO A 16 9.400 -9.720 -1.318 1.00 0.00 C ATOM 166 C PRO A 16 8.662 -9.615 0.013 1.00 0.00 C ATOM 167 O PRO A 16 8.311 -8.518 0.447 1.00 0.00 O ATOM 168 CB PRO A 16 8.562 -9.084 -2.428 1.00 0.00 C ATOM 169 CG PRO A 16 7.867 -10.224 -3.078 1.00 0.00 C ATOM 170 CD PRO A 16 8.830 -11.374 -3.015 1.00 0.00 C ATOM 0 HA PRO A 16 10.360 -9.235 -1.138 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.850 -8.365 -2.023 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.189 -8.546 -3.139 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.938 -10.463 -2.561 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.606 -9.987 -4.110 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.312 -12.332 -2.967 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.478 -11.406 -3.891 1.00 0.00 H new ATOM 178 N ARG A 17 8.428 -10.755 0.655 1.00 0.00 N ATOM 179 CA ARG A 17 7.758 -10.794 1.948 1.00 0.00 C ATOM 180 C ARG A 17 8.628 -10.138 3.014 1.00 0.00 C ATOM 181 O ARG A 17 8.161 -9.808 4.102 1.00 0.00 O ATOM 182 CB ARG A 17 7.432 -12.241 2.328 1.00 0.00 C ATOM 183 CG ARG A 17 8.652 -13.146 2.426 1.00 0.00 C ATOM 184 CD ARG A 17 9.018 -13.449 3.871 1.00 0.00 C ATOM 185 NE ARG A 17 7.959 -14.196 4.556 1.00 0.00 N ATOM 186 CZ ARG A 17 8.020 -14.588 5.827 1.00 0.00 C ATOM 187 NH1 ARG A 17 9.087 -14.302 6.567 1.00 0.00 N ATOM 188 NH2 ARG A 17 7.017 -15.278 6.358 1.00 0.00 N ATOM 0 H ARG A 17 8.696 -11.671 0.296 1.00 0.00 H new ATOM 0 HA ARG A 17 6.824 -10.237 1.880 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.911 -12.246 3.286 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.745 -12.654 1.589 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.455 -14.079 1.898 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.498 -12.671 1.929 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.944 -14.023 3.899 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.206 -12.516 4.402 1.00 0.00 H new ATOM 0 HE ARG A 17 7.121 -14.431 4.024 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.864 -13.780 6.162 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.129 -14.605 7.540 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.200 -15.508 5.792 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.064 -15.578 7.332 1.00 0.00 H new ATOM 202 N THR A 18 9.903 -9.965 2.685 1.00 0.00 N ATOM 203 CA THR A 18 10.833 -9.249 3.542 1.00 0.00 C ATOM 204 C THR A 18 12.034 -8.764 2.727 1.00 0.00 C ATOM 205 O THR A 18 13.002 -8.236 3.274 1.00 0.00 O ATOM 206 CB THR A 18 11.311 -10.146 4.703 1.00 0.00 C ATOM 207 OG1 THR A 18 12.153 -9.407 5.599 1.00 0.00 O ATOM 208 CG2 THR A 18 12.067 -11.355 4.168 1.00 0.00 C ATOM 0 H THR A 18 10.317 -10.316 1.821 1.00 0.00 H new ATOM 0 HA THR A 18 10.315 -8.387 3.963 1.00 0.00 H new ATOM 0 HB THR A 18 10.432 -10.490 5.248 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.716 -8.791 5.085 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.396 -11.976 5.001 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.412 -11.936 3.519 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.935 -11.019 3.600 1.00 0.00 H new ATOM 216 N SER A 19 11.953 -8.937 1.409 1.00 0.00 N ATOM 217 CA SER A 19 13.055 -8.599 0.520 1.00 0.00 C ATOM 218 C SER A 19 12.914 -7.183 -0.022 1.00 0.00 C ATOM 219 O SER A 19 13.153 -6.224 0.706 1.00 0.00 O ATOM 220 CB SER A 19 13.140 -9.615 -0.621 1.00 0.00 C ATOM 221 OG SER A 19 14.125 -9.257 -1.572 1.00 0.00 O ATOM 0 H SER A 19 11.131 -9.311 0.935 1.00 0.00 H new ATOM 0 HA SER A 19 13.982 -8.638 1.093 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.369 -10.600 -0.214 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.170 -9.691 -1.113 1.00 0.00 H new ATOM 0 HG SER A 19 14.913 -9.829 -1.458 1.00 0.00 H new ATOM 227 N MET A 20 12.512 -7.075 -1.293 1.00 0.00 N ATOM 228 CA MET A 20 12.364 -5.794 -1.985 1.00 0.00 C ATOM 229 C MET A 20 11.278 -4.930 -1.348 1.00 0.00 C ATOM 230 O MET A 20 10.175 -4.759 -1.885 1.00 0.00 O ATOM 231 CB MET A 20 12.069 -6.029 -3.470 1.00 0.00 C ATOM 232 CG MET A 20 10.935 -7.010 -3.723 1.00 0.00 C ATOM 233 SD MET A 20 10.467 -7.116 -5.460 1.00 0.00 S ATOM 234 CE MET A 20 10.027 -5.416 -5.796 1.00 0.00 C ATOM 0 H MET A 20 12.279 -7.881 -1.873 1.00 0.00 H new ATOM 0 HA MET A 20 13.305 -5.251 -1.892 1.00 0.00 H new ATOM 0 HB2 MET A 20 11.823 -5.075 -3.937 1.00 0.00 H new ATOM 0 HB3 MET A 20 12.972 -6.399 -3.956 1.00 0.00 H new ATOM 0 HG2 MET A 20 11.232 -7.998 -3.372 1.00 0.00 H new ATOM 0 HG3 MET A 20 10.066 -6.711 -3.136 1.00 0.00 H new ATOM 0 HE1 MET A 20 9.198 -5.388 -6.503 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.730 -4.927 -4.868 1.00 0.00 H new ATOM 0 HE3 MET A 20 10.885 -4.895 -6.222 1.00 0.00 H new ATOM 244 N THR A 21 11.618 -4.387 -0.202 1.00 0.00 N ATOM 245 CA THR A 21 10.739 -3.538 0.557 1.00 0.00 C ATOM 246 C THR A 21 10.933 -2.096 0.137 1.00 0.00 C ATOM 247 O THR A 21 12.059 -1.669 -0.098 1.00 0.00 O ATOM 248 CB THR A 21 11.054 -3.668 2.064 1.00 0.00 C ATOM 249 OG1 THR A 21 10.953 -5.041 2.461 1.00 0.00 O ATOM 250 CG2 THR A 21 10.120 -2.809 2.911 1.00 0.00 C ATOM 0 H THR A 21 12.530 -4.527 0.234 1.00 0.00 H new ATOM 0 HA THR A 21 9.709 -3.842 0.371 1.00 0.00 H new ATOM 0 HB THR A 21 12.071 -3.311 2.228 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.665 -5.559 2.031 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.373 -2.927 3.965 1.00 0.00 H new ATOM 0 HG22 THR A 21 10.230 -1.763 2.627 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.089 -3.123 2.748 1.00 0.00 H new ATOM 258 N GLU A 22 9.857 -1.347 0.015 1.00 0.00 N ATOM 259 CA GLU A 22 10.008 0.081 -0.135 1.00 0.00 C ATOM 260 C GLU A 22 9.873 0.713 1.217 1.00 0.00 C ATOM 261 O GLU A 22 9.142 0.215 2.075 1.00 0.00 O ATOM 262 CB GLU A 22 8.945 0.746 -1.014 1.00 0.00 C ATOM 263 CG GLU A 22 8.845 0.272 -2.441 1.00 0.00 C ATOM 264 CD GLU A 22 10.176 0.003 -3.102 1.00 0.00 C ATOM 265 OE1 GLU A 22 10.836 0.967 -3.541 1.00 0.00 O ATOM 266 OE2 GLU A 22 10.539 -1.185 -3.226 1.00 0.00 O ATOM 0 H GLU A 22 8.897 -1.691 0.017 1.00 0.00 H new ATOM 0 HA GLU A 22 10.980 0.226 -0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.974 0.601 -0.540 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.137 1.819 -1.026 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.249 -0.640 -2.467 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.308 1.021 -3.023 1.00 0.00 H new ATOM 273 N GLU A 23 10.562 1.800 1.394 1.00 0.00 N ATOM 274 CA GLU A 23 10.228 2.715 2.446 1.00 0.00 C ATOM 275 C GLU A 23 9.924 4.011 1.746 1.00 0.00 C ATOM 276 O GLU A 23 10.826 4.768 1.382 1.00 0.00 O ATOM 277 CB GLU A 23 11.374 2.867 3.448 1.00 0.00 C ATOM 278 CG GLU A 23 11.046 3.784 4.614 1.00 0.00 C ATOM 279 CD GLU A 23 9.986 3.221 5.549 1.00 0.00 C ATOM 280 OE1 GLU A 23 9.642 2.024 5.431 1.00 0.00 O ATOM 281 OE2 GLU A 23 9.506 3.978 6.423 1.00 0.00 O ATOM 0 H GLU A 23 11.361 2.076 0.823 1.00 0.00 H new ATOM 0 HA GLU A 23 9.382 2.365 3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.640 1.883 3.834 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.251 3.253 2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.956 3.975 5.183 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.704 4.744 4.226 1.00 0.00 H new ATOM 288 N TYR A 24 8.649 4.252 1.562 1.00 0.00 N ATOM 289 CA TYR A 24 8.200 5.214 0.590 1.00 0.00 C ATOM 290 C TYR A 24 8.000 6.579 1.219 1.00 0.00 C ATOM 291 O TYR A 24 7.275 6.723 2.202 1.00 0.00 O ATOM 292 CB TYR A 24 6.915 4.710 -0.077 1.00 0.00 C ATOM 293 CG TYR A 24 6.942 4.824 -1.583 1.00 0.00 C ATOM 294 CD1 TYR A 24 6.880 6.064 -2.193 1.00 0.00 C ATOM 295 CD2 TYR A 24 7.039 3.694 -2.401 1.00 0.00 C ATOM 296 CE1 TYR A 24 6.909 6.187 -3.564 1.00 0.00 C ATOM 297 CE2 TYR A 24 7.071 3.815 -3.776 1.00 0.00 C ATOM 298 CZ TYR A 24 7.004 5.064 -4.352 1.00 0.00 C ATOM 299 OH TYR A 24 7.037 5.197 -5.721 1.00 0.00 O ATOM 0 H TYR A 24 7.900 3.790 2.078 1.00 0.00 H new ATOM 0 HA TYR A 24 8.968 5.327 -0.175 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.755 3.668 0.199 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.067 5.276 0.309 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.808 6.952 -1.583 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.090 2.713 -1.951 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.857 7.165 -4.020 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.148 2.935 -4.397 1.00 0.00 H new ATOM 0 HH TYR A 24 7.107 4.311 -6.134 1.00 0.00 H new ATOM 309 N ARG A 25 8.669 7.571 0.649 1.00 0.00 N ATOM 310 CA ARG A 25 8.581 8.937 1.129 1.00 0.00 C ATOM 311 C ARG A 25 7.334 9.602 0.580 1.00 0.00 C ATOM 312 O ARG A 25 7.229 9.859 -0.620 1.00 0.00 O ATOM 313 CB ARG A 25 9.819 9.723 0.712 1.00 0.00 C ATOM 314 CG ARG A 25 11.116 9.104 1.194 1.00 0.00 C ATOM 315 CD ARG A 25 12.319 9.867 0.678 1.00 0.00 C ATOM 316 NE ARG A 25 12.416 9.821 -0.781 1.00 0.00 N ATOM 317 CZ ARG A 25 13.569 9.790 -1.441 1.00 0.00 C ATOM 318 NH1 ARG A 25 14.716 9.782 -0.772 1.00 0.00 N ATOM 319 NH2 ARG A 25 13.575 9.762 -2.765 1.00 0.00 N ATOM 0 H ARG A 25 9.285 7.450 -0.155 1.00 0.00 H new ATOM 0 HA ARG A 25 8.524 8.923 2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.843 9.799 -0.375 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.743 10.739 1.101 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.132 9.091 2.284 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.171 8.067 0.862 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.256 10.905 1.004 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.227 9.450 1.114 1.00 0.00 H new ATOM 0 HE ARG A 25 11.551 9.812 -1.321 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.712 9.800 0.248 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.601 9.758 -1.278 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.694 9.764 -3.279 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.461 9.738 -3.271 1.00 0.00 H new ATOM 333 N VAL A 26 6.393 9.872 1.460 1.00 0.00 N ATOM 334 CA VAL A 26 5.116 10.424 1.060 1.00 0.00 C ATOM 335 C VAL A 26 4.760 11.643 1.908 1.00 0.00 C ATOM 336 O VAL A 26 4.789 11.595 3.138 1.00 0.00 O ATOM 337 CB VAL A 26 4.008 9.343 1.129 1.00 0.00 C ATOM 338 CG1 VAL A 26 4.190 8.452 2.345 1.00 0.00 C ATOM 339 CG2 VAL A 26 2.626 9.968 1.139 1.00 0.00 C ATOM 0 H VAL A 26 6.490 9.717 2.463 1.00 0.00 H new ATOM 0 HA VAL A 26 5.194 10.756 0.025 1.00 0.00 H new ATOM 0 HB VAL A 26 4.098 8.729 0.233 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.399 7.703 2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.159 7.955 2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.143 9.058 3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.872 9.183 1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.528 10.620 2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.484 10.551 0.229 1.00 0.00 H new ATOM 349 N PRO A 27 4.455 12.765 1.237 1.00 0.00 N ATOM 350 CA PRO A 27 4.105 14.032 1.893 1.00 0.00 C ATOM 351 C PRO A 27 2.868 13.913 2.780 1.00 0.00 C ATOM 352 O PRO A 27 1.995 13.085 2.512 1.00 0.00 O ATOM 353 CB PRO A 27 3.830 14.979 0.719 1.00 0.00 C ATOM 354 CG PRO A 27 4.544 14.371 -0.438 1.00 0.00 C ATOM 355 CD PRO A 27 4.443 12.890 -0.228 1.00 0.00 C ATOM 0 HA PRO A 27 4.898 14.373 2.559 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.761 15.065 0.523 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.198 15.984 0.927 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.087 14.667 -1.382 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.585 14.694 -0.472 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.530 12.482 -0.661 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.278 12.359 -0.686 1.00 0.00 H new ATOM 363 N ASP A 28 2.788 14.731 3.822 1.00 0.00 N ATOM 364 CA ASP A 28 1.732 14.589 4.831 1.00 0.00 C ATOM 365 C ASP A 28 0.331 14.614 4.213 1.00 0.00 C ATOM 366 O ASP A 28 -0.478 13.716 4.446 1.00 0.00 O ATOM 367 CB ASP A 28 1.849 15.679 5.892 1.00 0.00 C ATOM 368 CG ASP A 28 0.815 15.511 6.984 1.00 0.00 C ATOM 369 OD1 ASP A 28 0.938 14.557 7.783 1.00 0.00 O ATOM 370 OD2 ASP A 28 -0.129 16.325 7.051 1.00 0.00 O ATOM 0 H ASP A 28 3.437 15.499 3.995 1.00 0.00 H new ATOM 0 HA ASP A 28 1.872 13.614 5.297 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.847 15.655 6.329 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.729 16.656 5.424 1.00 0.00 H new ATOM 375 N GLY A 29 0.046 15.627 3.410 1.00 0.00 N ATOM 376 CA GLY A 29 -1.259 15.713 2.775 1.00 0.00 C ATOM 377 C GLY A 29 -1.457 14.625 1.738 1.00 0.00 C ATOM 378 O GLY A 29 -2.584 14.207 1.450 1.00 0.00 O ATOM 0 H GLY A 29 0.687 16.388 3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.038 15.637 3.534 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.369 16.689 2.302 1.00 0.00 H new ATOM 382 N MET A 30 -0.350 14.135 1.202 1.00 0.00 N ATOM 383 CA MET A 30 -0.392 13.155 0.134 1.00 0.00 C ATOM 384 C MET A 30 -0.665 11.766 0.696 1.00 0.00 C ATOM 385 O MET A 30 -1.308 10.944 0.047 1.00 0.00 O ATOM 386 CB MET A 30 0.912 13.178 -0.661 1.00 0.00 C ATOM 387 CG MET A 30 0.827 12.449 -1.990 1.00 0.00 C ATOM 388 SD MET A 30 -0.586 12.980 -2.981 1.00 0.00 S ATOM 389 CE MET A 30 -0.363 14.761 -3.005 1.00 0.00 C ATOM 0 H MET A 30 0.591 14.403 1.492 1.00 0.00 H new ATOM 0 HA MET A 30 -1.207 13.411 -0.543 1.00 0.00 H new ATOM 0 HB2 MET A 30 1.199 14.214 -0.842 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.702 12.729 -0.060 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.745 12.618 -2.553 1.00 0.00 H new ATOM 0 HG3 MET A 30 0.757 11.376 -1.809 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.568 15.140 -4.006 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.049 15.223 -2.295 1.00 0.00 H new ATOM 0 HE3 MET A 30 0.663 15.003 -2.729 1.00 0.00 H new ATOM 399 N VAL A 31 -0.191 11.503 1.910 1.00 0.00 N ATOM 400 CA VAL A 31 -0.544 10.261 2.588 1.00 0.00 C ATOM 401 C VAL A 31 -1.997 10.339 3.043 1.00 0.00 C ATOM 402 O VAL A 31 -2.670 9.325 3.208 1.00 0.00 O ATOM 403 CB VAL A 31 0.391 9.930 3.780 1.00 0.00 C ATOM 404 CG1 VAL A 31 0.311 10.988 4.861 1.00 0.00 C ATOM 405 CG2 VAL A 31 0.070 8.554 4.347 1.00 0.00 C ATOM 0 H VAL A 31 0.427 12.121 2.436 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.416 9.446 1.876 1.00 0.00 H new ATOM 0 HB VAL A 31 1.414 9.920 3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.979 10.723 5.680 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.607 11.953 4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.712 11.051 5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.737 8.340 5.182 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.963 8.535 4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.207 7.800 3.572 1.00 0.00 H new ATOM 415 N GLY A 32 -2.482 11.564 3.215 1.00 0.00 N ATOM 416 CA GLY A 32 -3.897 11.770 3.430 1.00 0.00 C ATOM 417 C GLY A 32 -4.700 11.351 2.213 1.00 0.00 C ATOM 418 O GLY A 32 -5.854 10.937 2.327 1.00 0.00 O ATOM 0 H GLY A 32 -1.919 12.415 3.209 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.223 11.199 4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.086 12.821 3.650 1.00 0.00 H new ATOM 422 N LEU A 33 -4.083 11.459 1.042 1.00 0.00 N ATOM 423 CA LEU A 33 -4.727 11.036 -0.196 1.00 0.00 C ATOM 424 C LEU A 33 -4.500 9.550 -0.499 1.00 0.00 C ATOM 425 O LEU A 33 -5.301 8.939 -1.205 1.00 0.00 O ATOM 426 CB LEU A 33 -4.239 11.881 -1.374 1.00 0.00 C ATOM 427 CG LEU A 33 -4.591 13.367 -1.304 1.00 0.00 C ATOM 428 CD1 LEU A 33 -4.061 14.093 -2.529 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.096 13.559 -1.178 1.00 0.00 C ATOM 0 H LEU A 33 -3.142 11.834 0.924 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.798 11.185 -0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.156 11.784 -1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.656 11.469 -2.293 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.119 13.791 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.319 15.150 -2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.977 13.986 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.506 13.664 -3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.324 14.624 -1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.592 13.120 -2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.450 13.071 -0.270 1.00 0.00 H new ATOM 441 N ILE A 34 -3.422 8.959 0.025 1.00 0.00 N ATOM 442 CA ILE A 34 -3.158 7.538 -0.216 1.00 0.00 C ATOM 443 C ILE A 34 -4.139 6.690 0.588 1.00 0.00 C ATOM 444 O ILE A 34 -4.483 5.571 0.206 1.00 0.00 O ATOM 445 CB ILE A 34 -1.697 7.127 0.115 1.00 0.00 C ATOM 446 CG1 ILE A 34 -1.382 5.740 -0.450 1.00 0.00 C ATOM 447 CG2 ILE A 34 -1.445 7.128 1.612 1.00 0.00 C ATOM 448 CD1 ILE A 34 -1.512 5.653 -1.953 1.00 0.00 C ATOM 0 H ILE A 34 -2.731 9.431 0.607 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.296 7.362 -1.283 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.043 7.865 -0.350 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.367 5.463 -0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.051 5.011 0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.413 6.836 1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.621 8.127 2.010 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.120 6.421 2.095 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.274 4.641 -2.281 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.533 5.898 -2.245 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.823 6.357 -2.419 1.00 0.00 H new ATOM 460 N ILE A 35 -4.592 7.247 1.704 1.00 0.00 N ATOM 461 CA ILE A 35 -5.629 6.619 2.505 1.00 0.00 C ATOM 462 C ILE A 35 -7.005 6.985 1.970 1.00 0.00 C ATOM 463 O ILE A 35 -8.009 6.387 2.367 1.00 0.00 O ATOM 464 CB ILE A 35 -5.532 6.996 3.994 1.00 0.00 C ATOM 465 CG1 ILE A 35 -5.455 8.515 4.173 1.00 0.00 C ATOM 466 CG2 ILE A 35 -4.338 6.307 4.629 1.00 0.00 C ATOM 467 CD1 ILE A 35 -5.284 8.954 5.612 1.00 0.00 C ATOM 0 H ILE A 35 -4.255 8.136 2.074 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.479 5.542 2.429 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.436 6.654 4.499 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.622 8.899 3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.363 8.965 3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.278 6.580 5.683 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.452 5.227 4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.425 6.619 4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.238 10.042 5.657 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.130 8.602 6.203 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.361 8.535 6.013 1.00 0.00 H new ATOM 479 N GLY A 36 -7.030 7.996 1.095 1.00 0.00 N ATOM 480 CA GLY A 36 -8.242 8.389 0.390 1.00 0.00 C ATOM 481 C GLY A 36 -9.378 8.748 1.320 1.00 0.00 C ATOM 482 O GLY A 36 -9.484 9.884 1.779 1.00 0.00 O ATOM 0 H GLY A 36 -6.212 8.559 0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.022 9.242 -0.251 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.557 7.574 -0.261 1.00 0.00 H new ATOM 486 N ARG A 37 -10.215 7.761 1.603 1.00 0.00 N ATOM 487 CA ARG A 37 -11.341 7.907 2.519 1.00 0.00 C ATOM 488 C ARG A 37 -10.861 7.983 3.973 1.00 0.00 C ATOM 489 O ARG A 37 -11.362 7.275 4.846 1.00 0.00 O ATOM 490 CB ARG A 37 -12.299 6.730 2.331 1.00 0.00 C ATOM 491 CG ARG A 37 -11.598 5.381 2.328 1.00 0.00 C ATOM 492 CD ARG A 37 -11.873 4.608 1.045 1.00 0.00 C ATOM 493 NE ARG A 37 -13.239 4.086 0.987 1.00 0.00 N ATOM 494 CZ ARG A 37 -14.113 4.375 0.023 1.00 0.00 C ATOM 495 NH1 ARG A 37 -13.791 5.230 -0.942 1.00 0.00 N ATOM 496 NH2 ARG A 37 -15.313 3.808 0.027 1.00 0.00 N ATOM 0 H ARG A 37 -10.133 6.827 1.201 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.861 8.838 2.295 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.042 6.744 3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.837 6.855 1.391 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.524 5.528 2.441 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.931 4.795 3.185 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.700 5.259 0.188 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.168 3.781 0.965 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.542 3.460 1.733 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.870 5.669 -0.948 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.464 5.447 -1.677 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.565 3.153 0.767 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.983 4.028 -0.710 1.00 0.00 H new ATOM 510 N GLY A 38 -9.872 8.836 4.204 1.00 0.00 N ATOM 511 CA GLY A 38 -9.363 9.087 5.537 1.00 0.00 C ATOM 512 C GLY A 38 -8.780 7.861 6.220 1.00 0.00 C ATOM 513 O GLY A 38 -8.682 7.830 7.448 1.00 0.00 O ATOM 0 H GLY A 38 -9.404 9.370 3.472 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.595 9.858 5.482 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.170 9.484 6.153 1.00 0.00 H new ATOM 517 N GLY A 39 -8.402 6.845 5.447 1.00 0.00 N ATOM 518 CA GLY A 39 -7.744 5.693 6.039 1.00 0.00 C ATOM 519 C GLY A 39 -8.062 4.386 5.339 1.00 0.00 C ATOM 520 O GLY A 39 -7.155 3.642 4.968 1.00 0.00 O ATOM 0 H GLY A 39 -8.537 6.798 4.437 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.666 5.852 6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.038 5.616 7.086 1.00 0.00 H new ATOM 524 N GLU A 40 -9.346 4.120 5.143 1.00 0.00 N ATOM 525 CA GLU A 40 -9.806 2.824 4.642 1.00 0.00 C ATOM 526 C GLU A 40 -9.138 2.417 3.324 1.00 0.00 C ATOM 527 O GLU A 40 -8.898 1.230 3.103 1.00 0.00 O ATOM 528 CB GLU A 40 -11.324 2.835 4.458 1.00 0.00 C ATOM 529 CG GLU A 40 -11.895 1.494 4.028 1.00 0.00 C ATOM 530 CD GLU A 40 -13.297 1.610 3.472 1.00 0.00 C ATOM 531 OE1 GLU A 40 -14.253 1.676 4.265 1.00 0.00 O ATOM 532 OE2 GLU A 40 -13.444 1.646 2.232 1.00 0.00 O ATOM 0 H GLU A 40 -10.096 4.788 5.324 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.521 2.087 5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.793 3.136 5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.586 3.587 3.714 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.244 1.051 3.274 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.901 0.816 4.881 1.00 0.00 H new ATOM 539 N GLN A 41 -8.822 3.386 2.461 1.00 0.00 N ATOM 540 CA GLN A 41 -8.350 3.060 1.114 1.00 0.00 C ATOM 541 C GLN A 41 -7.075 2.234 1.156 1.00 0.00 C ATOM 542 O GLN A 41 -6.986 1.209 0.489 1.00 0.00 O ATOM 543 CB GLN A 41 -8.106 4.306 0.270 1.00 0.00 C ATOM 544 CG GLN A 41 -7.862 3.995 -1.196 1.00 0.00 C ATOM 545 CD GLN A 41 -7.584 5.234 -2.018 1.00 0.00 C ATOM 546 OE1 GLN A 41 -8.501 5.858 -2.554 1.00 0.00 O ATOM 547 NE2 GLN A 41 -6.322 5.603 -2.115 1.00 0.00 N ATOM 0 H GLN A 41 -8.883 4.384 2.665 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.145 2.476 0.651 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.966 4.970 0.356 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.247 4.845 0.669 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.018 3.310 -1.282 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.733 3.481 -1.604 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.594 5.057 -1.655 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.074 6.435 -2.650 1.00 0.00 H new ATOM 556 N ILE A 42 -6.095 2.665 1.947 1.00 0.00 N ATOM 557 CA ILE A 42 -4.829 1.951 2.001 1.00 0.00 C ATOM 558 C ILE A 42 -5.050 0.526 2.479 1.00 0.00 C ATOM 559 O ILE A 42 -4.438 -0.399 1.956 1.00 0.00 O ATOM 560 CB ILE A 42 -3.769 2.648 2.888 1.00 0.00 C ATOM 561 CG1 ILE A 42 -2.425 1.923 2.782 1.00 0.00 C ATOM 562 CG2 ILE A 42 -4.218 2.729 4.340 1.00 0.00 C ATOM 563 CD1 ILE A 42 -1.840 1.945 1.385 1.00 0.00 C ATOM 0 H ILE A 42 -6.153 3.488 2.547 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.434 1.947 0.985 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.650 3.668 2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.717 2.382 3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.553 0.888 3.099 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.448 3.224 4.932 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.146 3.297 4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.382 1.723 4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.888 1.414 1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.529 1.460 0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.681 2.977 1.073 1.00 0.00 H new ATOM 575 N ASN A 43 -5.955 0.346 3.438 1.00 0.00 N ATOM 576 CA ASN A 43 -6.274 -0.989 3.919 1.00 0.00 C ATOM 577 C ASN A 43 -6.921 -1.782 2.805 1.00 0.00 C ATOM 578 O ASN A 43 -6.560 -2.911 2.571 1.00 0.00 O ATOM 579 CB ASN A 43 -7.201 -0.973 5.137 1.00 0.00 C ATOM 580 CG ASN A 43 -6.655 -0.153 6.291 1.00 0.00 C ATOM 581 OD1 ASN A 43 -5.442 -0.007 6.455 1.00 0.00 O ATOM 582 ND2 ASN A 43 -7.547 0.373 7.112 1.00 0.00 N ATOM 0 H ASN A 43 -6.473 1.099 3.890 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.339 -1.453 4.231 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.171 -0.573 4.842 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.367 -1.997 5.473 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.240 0.922 7.915 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.543 0.230 6.943 1.00 0.00 H new ATOM 589 N LYS A 44 -7.857 -1.170 2.094 1.00 0.00 N ATOM 590 CA LYS A 44 -8.516 -1.837 0.975 1.00 0.00 C ATOM 591 C LYS A 44 -7.507 -2.246 -0.088 1.00 0.00 C ATOM 592 O LYS A 44 -7.683 -3.260 -0.758 1.00 0.00 O ATOM 593 CB LYS A 44 -9.594 -0.939 0.368 1.00 0.00 C ATOM 594 CG LYS A 44 -10.788 -0.767 1.285 1.00 0.00 C ATOM 595 CD LYS A 44 -12.063 -1.329 0.678 1.00 0.00 C ATOM 596 CE LYS A 44 -12.504 -0.557 -0.556 1.00 0.00 C ATOM 597 NZ LYS A 44 -12.782 0.875 -0.259 1.00 0.00 N ATOM 0 H LYS A 44 -8.178 -0.218 2.269 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.992 -2.739 1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.166 0.039 0.147 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.925 -1.364 -0.579 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.590 -1.264 2.234 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.927 0.292 1.503 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.906 -2.375 0.413 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.859 -1.305 1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.729 -0.623 -1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.400 -1.020 -0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.465 1.246 -0.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.177 0.960 0.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.898 1.420 -0.319 1.00 0.00 H new ATOM 611 N ILE A 45 -6.450 -1.462 -0.228 1.00 0.00 N ATOM 612 CA ILE A 45 -5.398 -1.756 -1.188 1.00 0.00 C ATOM 613 C ILE A 45 -4.491 -2.877 -0.692 1.00 0.00 C ATOM 614 O ILE A 45 -4.250 -3.857 -1.398 1.00 0.00 O ATOM 615 CB ILE A 45 -4.546 -0.510 -1.481 1.00 0.00 C ATOM 616 CG1 ILE A 45 -5.422 0.577 -2.095 1.00 0.00 C ATOM 617 CG2 ILE A 45 -3.380 -0.850 -2.400 1.00 0.00 C ATOM 618 CD1 ILE A 45 -6.268 0.101 -3.255 1.00 0.00 C ATOM 0 H ILE A 45 -6.298 -0.612 0.315 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.890 -2.077 -2.106 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.129 -0.141 -0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.076 0.982 -1.323 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.786 1.394 -2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.794 0.049 -2.591 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.749 -1.601 -1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.762 -1.242 -3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.862 0.931 -3.637 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.621 -0.276 -4.047 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.932 -0.696 -2.919 1.00 0.00 H new ATOM 630 N GLN A 46 -4.007 -2.734 0.531 1.00 0.00 N ATOM 631 CA GLN A 46 -3.039 -3.669 1.088 1.00 0.00 C ATOM 632 C GLN A 46 -3.707 -4.986 1.502 1.00 0.00 C ATOM 633 O GLN A 46 -3.066 -6.034 1.541 1.00 0.00 O ATOM 634 CB GLN A 46 -2.294 -3.010 2.262 1.00 0.00 C ATOM 635 CG GLN A 46 -3.171 -2.563 3.424 1.00 0.00 C ATOM 636 CD GLN A 46 -3.227 -3.572 4.554 1.00 0.00 C ATOM 637 OE1 GLN A 46 -4.084 -4.451 4.587 1.00 0.00 O ATOM 638 NE2 GLN A 46 -2.307 -3.442 5.500 1.00 0.00 N ATOM 0 H GLN A 46 -4.269 -1.976 1.161 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.310 -3.919 0.318 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.551 -3.713 2.639 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.751 -2.144 1.885 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.796 -1.615 3.810 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.182 -2.380 3.059 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.612 -2.698 5.436 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.295 -4.086 6.291 1.00 0.00 H new ATOM 647 N GLN A 47 -4.998 -4.920 1.782 1.00 0.00 N ATOM 648 CA GLN A 47 -5.782 -6.089 2.168 1.00 0.00 C ATOM 649 C GLN A 47 -6.223 -6.845 0.922 1.00 0.00 C ATOM 650 O GLN A 47 -6.314 -8.072 0.921 1.00 0.00 O ATOM 651 CB GLN A 47 -7.001 -5.638 2.976 1.00 0.00 C ATOM 652 CG GLN A 47 -7.735 -6.742 3.708 1.00 0.00 C ATOM 653 CD GLN A 47 -8.944 -6.223 4.464 1.00 0.00 C ATOM 654 OE1 GLN A 47 -8.970 -5.073 4.904 1.00 0.00 O ATOM 655 NE2 GLN A 47 -9.957 -7.059 4.616 1.00 0.00 N ATOM 0 H GLN A 47 -5.536 -4.054 1.749 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.174 -6.753 2.783 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.679 -4.893 3.704 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.701 -5.143 2.302 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.054 -7.500 2.993 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.054 -7.228 4.406 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.899 -8.004 4.238 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.796 -6.758 5.112 1.00 0.00 H new ATOM 664 N ASP A 48 -6.495 -6.092 -0.140 1.00 0.00 N ATOM 665 CA ASP A 48 -6.838 -6.674 -1.435 1.00 0.00 C ATOM 666 C ASP A 48 -5.636 -7.405 -2.007 1.00 0.00 C ATOM 667 O ASP A 48 -5.738 -8.540 -2.475 1.00 0.00 O ATOM 668 CB ASP A 48 -7.285 -5.576 -2.406 1.00 0.00 C ATOM 669 CG ASP A 48 -7.597 -6.097 -3.798 1.00 0.00 C ATOM 670 OD1 ASP A 48 -6.661 -6.206 -4.622 1.00 0.00 O ATOM 671 OD2 ASP A 48 -8.781 -6.379 -4.082 1.00 0.00 O ATOM 0 H ASP A 48 -6.484 -5.072 -0.129 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.657 -7.380 -1.297 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.170 -5.082 -2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.502 -4.821 -2.475 1.00 0.00 H new ATOM 676 N SER A 49 -4.489 -6.746 -1.942 1.00 0.00 N ATOM 677 CA SER A 49 -3.260 -7.302 -2.466 1.00 0.00 C ATOM 678 C SER A 49 -2.738 -8.423 -1.575 1.00 0.00 C ATOM 679 O SER A 49 -2.400 -9.503 -2.056 1.00 0.00 O ATOM 680 CB SER A 49 -2.204 -6.207 -2.602 1.00 0.00 C ATOM 681 OG SER A 49 -2.062 -5.479 -1.394 1.00 0.00 O ATOM 0 H SER A 49 -4.388 -5.819 -1.528 1.00 0.00 H new ATOM 0 HA SER A 49 -3.472 -7.721 -3.450 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.248 -6.652 -2.876 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.482 -5.528 -3.408 1.00 0.00 H new ATOM 0 HG SER A 49 -2.747 -4.779 -1.352 1.00 0.00 H new ATOM 687 N GLY A 50 -2.692 -8.160 -0.275 1.00 0.00 N ATOM 688 CA GLY A 50 -2.129 -9.113 0.661 1.00 0.00 C ATOM 689 C GLY A 50 -0.753 -8.679 1.129 1.00 0.00 C ATOM 690 O GLY A 50 -0.006 -9.463 1.715 1.00 0.00 O ATOM 0 H GLY A 50 -3.037 -7.299 0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.792 -9.217 1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.063 -10.093 0.189 1.00 0.00 H new ATOM 694 N CYS A 51 -0.422 -7.424 0.851 1.00 0.00 N ATOM 695 CA CYS A 51 0.865 -6.855 1.227 1.00 0.00 C ATOM 696 C CYS A 51 0.773 -6.163 2.580 1.00 0.00 C ATOM 697 O CYS A 51 -0.238 -5.539 2.905 1.00 0.00 O ATOM 698 CB CYS A 51 1.327 -5.863 0.157 1.00 0.00 C ATOM 699 SG CYS A 51 2.840 -4.963 0.564 1.00 0.00 S ATOM 0 H CYS A 51 -1.036 -6.774 0.360 1.00 0.00 H new ATOM 0 HA CYS A 51 1.593 -7.662 1.305 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.482 -6.403 -0.777 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.528 -5.143 -0.020 1.00 0.00 H new ATOM 0 HG CYS A 51 2.658 -4.278 1.654 1.00 0.00 H new ATOM 705 N LYS A 52 1.837 -6.275 3.357 1.00 0.00 N ATOM 706 CA LYS A 52 1.921 -5.635 4.658 1.00 0.00 C ATOM 707 C LYS A 52 2.320 -4.180 4.487 1.00 0.00 C ATOM 708 O LYS A 52 3.449 -3.788 4.779 1.00 0.00 O ATOM 709 CB LYS A 52 2.945 -6.354 5.534 1.00 0.00 C ATOM 710 CG LYS A 52 2.651 -7.828 5.732 1.00 0.00 C ATOM 711 CD LYS A 52 3.847 -8.547 6.325 1.00 0.00 C ATOM 712 CE LYS A 52 5.018 -8.559 5.353 1.00 0.00 C ATOM 713 NZ LYS A 52 6.232 -9.179 5.951 1.00 0.00 N ATOM 0 H LYS A 52 2.666 -6.812 3.104 1.00 0.00 H new ATOM 0 HA LYS A 52 0.946 -5.687 5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.933 -6.247 5.085 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.983 -5.866 6.508 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.789 -7.945 6.389 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.387 -8.281 4.776 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.146 -8.058 7.252 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.571 -9.570 6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.737 -9.106 4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.246 -7.538 5.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.781 -9.656 5.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.817 -8.441 6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.948 -9.874 6.671 1.00 0.00 H new ATOM 727 N VAL A 53 1.392 -3.393 3.989 1.00 0.00 N ATOM 728 CA VAL A 53 1.625 -1.977 3.789 1.00 0.00 C ATOM 729 C VAL A 53 1.403 -1.241 5.095 1.00 0.00 C ATOM 730 O VAL A 53 0.280 -1.162 5.596 1.00 0.00 O ATOM 731 CB VAL A 53 0.704 -1.402 2.698 1.00 0.00 C ATOM 732 CG1 VAL A 53 0.991 0.071 2.469 1.00 0.00 C ATOM 733 CG2 VAL A 53 0.867 -2.177 1.404 1.00 0.00 C ATOM 0 H VAL A 53 0.463 -3.711 3.713 1.00 0.00 H new ATOM 0 HA VAL A 53 2.655 -1.843 3.458 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.327 -1.501 3.038 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.328 0.455 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.825 0.622 3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.027 0.195 2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.209 -1.757 0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.901 -2.109 1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.608 -3.223 1.571 1.00 0.00 H new ATOM 743 N GLN A 54 2.484 -0.735 5.661 1.00 0.00 N ATOM 744 CA GLN A 54 2.432 -0.103 6.965 1.00 0.00 C ATOM 745 C GLN A 54 2.665 1.387 6.858 1.00 0.00 C ATOM 746 O GLN A 54 3.689 1.833 6.341 1.00 0.00 O ATOM 747 CB GLN A 54 3.455 -0.749 7.896 1.00 0.00 C ATOM 748 CG GLN A 54 3.139 -2.206 8.173 1.00 0.00 C ATOM 749 CD GLN A 54 1.857 -2.375 8.963 1.00 0.00 C ATOM 750 OE1 GLN A 54 0.726 -2.262 8.282 1.00 0.00 O flip ATOM 751 NE2 GLN A 54 1.881 -2.528 10.186 1.00 0.00 N flip ATOM 0 H GLN A 54 3.411 -0.750 5.236 1.00 0.00 H new ATOM 0 HA GLN A 54 1.436 -0.250 7.382 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.447 -0.673 7.451 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.484 -0.200 8.837 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.055 -2.743 7.228 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.965 -2.657 8.724 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.774 -2.611 10.672 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.008 -2.572 10.712 1.00 0.00 H new ATOM 760 N ILE A 55 1.703 2.153 7.340 1.00 0.00 N ATOM 761 CA ILE A 55 1.789 3.595 7.288 1.00 0.00 C ATOM 762 C ILE A 55 2.492 4.116 8.538 1.00 0.00 C ATOM 763 O ILE A 55 1.878 4.233 9.598 1.00 0.00 O ATOM 764 CB ILE A 55 0.388 4.250 7.171 1.00 0.00 C ATOM 765 CG1 ILE A 55 -0.399 3.663 5.992 1.00 0.00 C ATOM 766 CG2 ILE A 55 0.510 5.759 7.019 1.00 0.00 C ATOM 767 CD1 ILE A 55 0.269 3.854 4.647 1.00 0.00 C ATOM 0 H ILE A 55 0.851 1.796 7.773 1.00 0.00 H new ATOM 0 HA ILE A 55 2.361 3.861 6.399 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.157 4.034 8.090 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.548 2.597 6.163 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.387 4.123 5.964 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.484 6.198 6.939 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.020 6.172 7.889 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.082 5.989 6.120 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.350 3.411 3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.394 4.919 4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.245 3.369 4.654 1.00 0.00 H new ATOM 779 N SER A 56 3.778 4.415 8.416 1.00 0.00 N ATOM 780 CA SER A 56 4.564 4.869 9.551 1.00 0.00 C ATOM 781 C SER A 56 4.341 6.357 9.806 1.00 0.00 C ATOM 782 O SER A 56 4.674 7.207 8.963 1.00 0.00 O ATOM 783 CB SER A 56 6.054 4.589 9.330 1.00 0.00 C ATOM 784 OG SER A 56 6.817 4.958 10.471 1.00 0.00 O ATOM 0 H SER A 56 4.298 4.351 7.541 1.00 0.00 H new ATOM 0 HA SER A 56 4.233 4.313 10.429 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.201 3.530 9.117 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.406 5.141 8.459 1.00 0.00 H new ATOM 0 HG SER A 56 7.764 4.768 10.306 1.00 0.00 H new ATOM 790 N PRO A 57 3.750 6.682 10.971 1.00 0.00 N ATOM 791 CA PRO A 57 3.518 8.059 11.397 1.00 0.00 C ATOM 792 C PRO A 57 4.775 8.699 11.975 1.00 0.00 C ATOM 793 O PRO A 57 4.950 9.914 11.914 1.00 0.00 O ATOM 794 CB PRO A 57 2.446 7.905 12.473 1.00 0.00 C ATOM 795 CG PRO A 57 2.707 6.571 13.076 1.00 0.00 C ATOM 796 CD PRO A 57 3.248 5.709 11.967 1.00 0.00 C ATOM 0 HA PRO A 57 3.225 8.709 10.572 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.516 8.697 13.218 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.445 7.957 12.045 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.423 6.647 13.895 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.793 6.145 13.490 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.044 5.054 12.322 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.473 5.069 11.545 1.00 0.00 H new ATOM 804 N ASP A 58 5.648 7.866 12.527 1.00 0.00 N ATOM 805 CA ASP A 58 6.900 8.337 13.097 1.00 0.00 C ATOM 806 C ASP A 58 7.904 8.576 11.984 1.00 0.00 C ATOM 807 O ASP A 58 8.639 9.565 11.996 1.00 0.00 O ATOM 808 CB ASP A 58 7.441 7.319 14.106 1.00 0.00 C ATOM 809 CG ASP A 58 8.705 7.791 14.794 1.00 0.00 C ATOM 810 OD1 ASP A 58 8.622 8.727 15.617 1.00 0.00 O ATOM 811 OD2 ASP A 58 9.781 7.223 14.529 1.00 0.00 O ATOM 0 H ASP A 58 5.510 6.857 12.591 1.00 0.00 H new ATOM 0 HA ASP A 58 6.727 9.275 13.624 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.677 7.117 14.857 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.641 6.378 13.594 1.00 0.00 H new ATOM 816 N SER A 59 7.894 7.658 11.018 1.00 0.00 N ATOM 817 CA SER A 59 8.662 7.770 9.783 1.00 0.00 C ATOM 818 C SER A 59 10.163 7.602 10.018 1.00 0.00 C ATOM 819 O SER A 59 10.758 6.602 9.602 1.00 0.00 O ATOM 820 CB SER A 59 8.368 9.099 9.081 1.00 0.00 C ATOM 821 OG SER A 59 8.894 9.102 7.771 1.00 0.00 O ATOM 0 H SER A 59 7.342 6.802 11.075 1.00 0.00 H new ATOM 0 HA SER A 59 8.346 6.954 9.133 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.291 9.266 9.046 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.800 9.921 9.653 1.00 0.00 H new ATOM 0 HG SER A 59 8.200 9.388 7.141 1.00 0.00 H new ATOM 827 N GLY A 60 10.772 8.571 10.680 1.00 0.00 N ATOM 828 CA GLY A 60 12.192 8.513 10.932 1.00 0.00 C ATOM 829 C GLY A 60 12.913 9.728 10.398 1.00 0.00 C ATOM 830 O GLY A 60 12.944 10.776 11.047 1.00 0.00 O ATOM 0 H GLY A 60 10.305 9.400 11.048 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.366 8.431 12.005 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.605 7.615 10.472 1.00 0.00 H new ATOM 834 N GLY A 61 13.469 9.596 9.204 1.00 0.00 N ATOM 835 CA GLY A 61 14.234 10.675 8.612 1.00 0.00 C ATOM 836 C GLY A 61 13.360 11.697 7.919 1.00 0.00 C ATOM 837 O GLY A 61 13.817 12.785 7.569 1.00 0.00 O ATOM 0 H GLY A 61 13.404 8.755 8.630 1.00 0.00 H new ATOM 0 HA2 GLY A 61 14.819 11.169 9.388 1.00 0.00 H new ATOM 0 HA3 GLY A 61 14.942 10.262 7.894 1.00 0.00 H new ATOM 841 N LEU A 62 12.104 11.346 7.728 1.00 0.00 N ATOM 842 CA LEU A 62 11.166 12.195 7.010 1.00 0.00 C ATOM 843 C LEU A 62 10.372 13.059 7.975 1.00 0.00 C ATOM 844 O LEU A 62 9.981 12.606 9.052 1.00 0.00 O ATOM 845 CB LEU A 62 10.210 11.332 6.187 1.00 0.00 C ATOM 846 CG LEU A 62 10.688 10.921 4.790 1.00 0.00 C ATOM 847 CD1 LEU A 62 12.203 10.800 4.723 1.00 0.00 C ATOM 848 CD2 LEU A 62 10.047 9.602 4.408 1.00 0.00 C ATOM 0 H LEU A 62 11.703 10.470 8.063 1.00 0.00 H new ATOM 0 HA LEU A 62 11.733 12.847 6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.995 10.426 6.754 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.269 11.872 6.080 1.00 0.00 H new ATOM 0 HG LEU A 62 10.390 11.699 4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.500 10.507 3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.656 11.760 4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.540 10.046 5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.385 9.307 3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.331 8.837 5.130 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.963 9.712 4.404 1.00 0.00 H new ATOM 860 N PRO A 63 10.141 14.324 7.609 1.00 0.00 N ATOM 861 CA PRO A 63 9.296 15.230 8.383 1.00 0.00 C ATOM 862 C PRO A 63 7.825 15.067 8.019 1.00 0.00 C ATOM 863 O PRO A 63 6.948 15.719 8.586 1.00 0.00 O ATOM 864 CB PRO A 63 9.805 16.599 7.944 1.00 0.00 C ATOM 865 CG PRO A 63 10.181 16.399 6.515 1.00 0.00 C ATOM 866 CD PRO A 63 10.712 14.991 6.418 1.00 0.00 C ATOM 0 HA PRO A 63 9.350 15.057 9.458 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.037 17.365 8.052 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.659 16.918 8.541 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.319 16.537 5.862 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.935 17.123 6.205 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.395 14.505 5.495 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.802 14.971 6.431 1.00 0.00 H new ATOM 874 N GLU A 64 7.571 14.196 7.055 1.00 0.00 N ATOM 875 CA GLU A 64 6.231 13.972 6.552 1.00 0.00 C ATOM 876 C GLU A 64 5.713 12.590 6.948 1.00 0.00 C ATOM 877 O GLU A 64 5.351 12.372 8.104 1.00 0.00 O ATOM 878 CB GLU A 64 6.195 14.183 5.034 1.00 0.00 C ATOM 879 CG GLU A 64 7.490 13.802 4.320 1.00 0.00 C ATOM 880 CD GLU A 64 7.581 14.402 2.935 1.00 0.00 C ATOM 881 OE1 GLU A 64 7.178 15.571 2.769 1.00 0.00 O ATOM 882 OE2 GLU A 64 8.080 13.725 2.014 1.00 0.00 O ATOM 0 H GLU A 64 8.287 13.628 6.603 1.00 0.00 H new ATOM 0 HA GLU A 64 5.561 14.701 7.009 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.376 13.597 4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.974 15.231 4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.341 14.135 4.914 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.557 12.716 4.248 1.00 0.00 H new ATOM 889 N ARG A 65 5.694 11.655 6.011 1.00 0.00 N ATOM 890 CA ARG A 65 5.206 10.316 6.292 1.00 0.00 C ATOM 891 C ARG A 65 6.014 9.294 5.509 1.00 0.00 C ATOM 892 O ARG A 65 6.600 9.622 4.475 1.00 0.00 O ATOM 893 CB ARG A 65 3.731 10.218 5.901 1.00 0.00 C ATOM 894 CG ARG A 65 2.948 9.208 6.719 1.00 0.00 C ATOM 895 CD ARG A 65 2.825 9.661 8.160 1.00 0.00 C ATOM 896 NE ARG A 65 2.094 10.926 8.289 1.00 0.00 N ATOM 897 CZ ARG A 65 1.464 11.308 9.398 1.00 0.00 C ATOM 898 NH1 ARG A 65 1.447 10.514 10.457 1.00 0.00 N ATOM 899 NH2 ARG A 65 0.854 12.485 9.451 1.00 0.00 N ATOM 0 H ARG A 65 6.010 11.799 5.052 1.00 0.00 H new ATOM 0 HA ARG A 65 5.313 10.111 7.357 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.269 11.199 6.013 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.661 9.951 4.847 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.955 9.076 6.289 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.444 8.238 6.679 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.316 8.890 8.738 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.821 9.775 8.588 1.00 0.00 H new ATOM 0 HE ARG A 65 2.067 11.549 7.482 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.917 9.609 10.424 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.964 10.807 11.306 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.866 13.103 8.639 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.373 12.772 10.303 1.00 0.00 H new ATOM 913 N SER A 66 6.061 8.061 5.993 1.00 0.00 N ATOM 914 CA SER A 66 6.702 7.004 5.235 1.00 0.00 C ATOM 915 C SER A 66 5.864 5.737 5.281 1.00 0.00 C ATOM 916 O SER A 66 5.168 5.474 6.261 1.00 0.00 O ATOM 917 CB SER A 66 8.121 6.748 5.746 1.00 0.00 C ATOM 918 OG SER A 66 8.127 6.383 7.114 1.00 0.00 O ATOM 0 H SER A 66 5.670 7.774 6.890 1.00 0.00 H new ATOM 0 HA SER A 66 6.779 7.323 4.196 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.583 5.956 5.156 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.726 7.644 5.606 1.00 0.00 H new ATOM 0 HG SER A 66 8.559 5.509 7.218 1.00 0.00 H new ATOM 924 N VAL A 67 5.901 4.979 4.203 1.00 0.00 N ATOM 925 CA VAL A 67 5.119 3.759 4.099 1.00 0.00 C ATOM 926 C VAL A 67 6.027 2.575 3.810 1.00 0.00 C ATOM 927 O VAL A 67 6.870 2.646 2.919 1.00 0.00 O ATOM 928 CB VAL A 67 4.065 3.870 2.976 1.00 0.00 C ATOM 929 CG1 VAL A 67 3.213 2.616 2.906 1.00 0.00 C ATOM 930 CG2 VAL A 67 3.192 5.101 3.174 1.00 0.00 C ATOM 0 H VAL A 67 6.468 5.187 3.381 1.00 0.00 H new ATOM 0 HA VAL A 67 4.609 3.610 5.051 1.00 0.00 H new ATOM 0 HB VAL A 67 4.593 3.974 2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.478 2.719 2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.850 1.754 2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.698 2.472 3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.457 5.159 2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.678 5.032 4.133 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.815 5.995 3.160 1.00 0.00 H new ATOM 940 N SER A 68 5.872 1.497 4.562 1.00 0.00 N ATOM 941 CA SER A 68 6.624 0.288 4.287 1.00 0.00 C ATOM 942 C SER A 68 5.851 -0.626 3.356 1.00 0.00 C ATOM 943 O SER A 68 4.664 -0.891 3.561 1.00 0.00 O ATOM 944 CB SER A 68 6.959 -0.474 5.558 1.00 0.00 C ATOM 945 OG SER A 68 7.771 0.296 6.431 1.00 0.00 O ATOM 0 H SER A 68 5.239 1.436 5.359 1.00 0.00 H new ATOM 0 HA SER A 68 7.554 0.600 3.812 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.038 -0.753 6.069 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.475 -1.400 5.303 1.00 0.00 H new ATOM 0 HG SER A 68 8.312 0.922 5.907 1.00 0.00 H new ATOM 951 N LEU A 69 6.534 -1.087 2.328 1.00 0.00 N ATOM 952 CA LEU A 69 5.945 -1.963 1.341 1.00 0.00 C ATOM 953 C LEU A 69 6.591 -3.347 1.387 1.00 0.00 C ATOM 954 O LEU A 69 7.704 -3.522 0.893 1.00 0.00 O ATOM 955 CB LEU A 69 6.161 -1.369 -0.047 1.00 0.00 C ATOM 956 CG LEU A 69 5.341 -0.124 -0.417 1.00 0.00 C ATOM 957 CD1 LEU A 69 3.856 -0.422 -0.361 1.00 0.00 C ATOM 958 CD2 LEU A 69 5.680 1.066 0.465 1.00 0.00 C ATOM 0 H LEU A 69 7.514 -0.863 2.155 1.00 0.00 H new ATOM 0 HA LEU A 69 4.881 -2.061 1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.217 -1.119 -0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.947 -2.144 -0.783 1.00 0.00 H new ATOM 0 HG LEU A 69 5.607 0.143 -1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.295 0.474 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.618 -1.221 -1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.585 -0.734 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.076 1.923 0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.471 0.819 1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.737 1.311 0.356 1.00 0.00 H new ATOM 970 N THR A 70 5.897 -4.327 1.960 1.00 0.00 N ATOM 971 CA THR A 70 6.436 -5.684 2.058 1.00 0.00 C ATOM 972 C THR A 70 5.324 -6.735 1.968 1.00 0.00 C ATOM 973 O THR A 70 4.383 -6.709 2.751 1.00 0.00 O ATOM 974 CB THR A 70 7.190 -5.876 3.386 1.00 0.00 C ATOM 975 OG1 THR A 70 7.622 -4.609 3.902 1.00 0.00 O ATOM 976 CG2 THR A 70 8.395 -6.763 3.173 1.00 0.00 C ATOM 0 H THR A 70 4.967 -4.210 2.361 1.00 0.00 H new ATOM 0 HA THR A 70 7.122 -5.817 1.221 1.00 0.00 H new ATOM 0 HB THR A 70 6.514 -6.344 4.102 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.099 -4.745 4.747 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.922 -6.893 4.118 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.070 -7.735 2.802 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.063 -6.301 2.446 1.00 0.00 H new ATOM 984 N GLY A 71 5.435 -7.666 1.025 1.00 0.00 N ATOM 985 CA GLY A 71 4.402 -8.680 0.864 1.00 0.00 C ATOM 986 C GLY A 71 4.751 -9.693 -0.210 1.00 0.00 C ATOM 987 O GLY A 71 5.910 -9.848 -0.559 1.00 0.00 O ATOM 0 H GLY A 71 6.215 -7.739 0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.252 -9.196 1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.458 -8.197 0.611 1.00 0.00 H new ATOM 991 N ALA A 72 3.750 -10.367 -0.752 1.00 0.00 N ATOM 992 CA ALA A 72 3.977 -11.360 -1.794 1.00 0.00 C ATOM 993 C ALA A 72 4.208 -10.658 -3.132 1.00 0.00 C ATOM 994 O ALA A 72 3.878 -9.484 -3.258 1.00 0.00 O ATOM 995 CB ALA A 72 2.788 -12.307 -1.876 1.00 0.00 C ATOM 0 H ALA A 72 2.772 -10.246 -0.489 1.00 0.00 H new ATOM 0 HA ALA A 72 4.864 -11.945 -1.552 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.965 -13.046 -2.657 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.660 -12.813 -0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.887 -11.740 -2.110 1.00 0.00 H new ATOM 1001 N PRO A 73 4.794 -11.349 -4.136 1.00 0.00 N ATOM 1002 CA PRO A 73 5.105 -10.746 -5.445 1.00 0.00 C ATOM 1003 C PRO A 73 3.951 -9.919 -6.009 1.00 0.00 C ATOM 1004 O PRO A 73 4.126 -8.752 -6.357 1.00 0.00 O ATOM 1005 CB PRO A 73 5.377 -11.963 -6.328 1.00 0.00 C ATOM 1006 CG PRO A 73 5.921 -12.983 -5.388 1.00 0.00 C ATOM 1007 CD PRO A 73 5.210 -12.766 -4.078 1.00 0.00 C ATOM 0 HA PRO A 73 5.937 -10.045 -5.382 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.466 -12.314 -6.813 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.090 -11.730 -7.119 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.747 -13.991 -5.764 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.999 -12.869 -5.270 1.00 0.00 H new ATOM 0 HD2 PRO A 73 4.353 -13.431 -3.973 1.00 0.00 H new ATOM 0 HD3 PRO A 73 5.867 -12.956 -3.229 1.00 0.00 H new ATOM 1015 N GLU A 74 2.773 -10.525 -6.068 1.00 0.00 N ATOM 1016 CA GLU A 74 1.579 -9.848 -6.555 1.00 0.00 C ATOM 1017 C GLU A 74 1.161 -8.739 -5.594 1.00 0.00 C ATOM 1018 O GLU A 74 0.819 -7.627 -6.004 1.00 0.00 O ATOM 1019 CB GLU A 74 0.444 -10.861 -6.685 1.00 0.00 C ATOM 1020 CG GLU A 74 -0.894 -10.263 -7.079 1.00 0.00 C ATOM 1021 CD GLU A 74 -2.047 -11.148 -6.663 1.00 0.00 C ATOM 1022 OE1 GLU A 74 -2.174 -12.265 -7.206 1.00 0.00 O ATOM 1023 OE2 GLU A 74 -2.810 -10.746 -5.760 1.00 0.00 O ATOM 0 H GLU A 74 2.618 -11.492 -5.782 1.00 0.00 H new ATOM 0 HA GLU A 74 1.797 -9.404 -7.526 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.725 -11.609 -7.426 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.329 -11.382 -5.734 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.004 -9.282 -6.618 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.922 -10.113 -8.158 1.00 0.00 H new ATOM 1030 N SER A 75 1.211 -9.062 -4.312 1.00 0.00 N ATOM 1031 CA SER A 75 0.728 -8.183 -3.269 1.00 0.00 C ATOM 1032 C SER A 75 1.551 -6.900 -3.189 1.00 0.00 C ATOM 1033 O SER A 75 1.001 -5.799 -3.180 1.00 0.00 O ATOM 1034 CB SER A 75 0.783 -8.929 -1.942 1.00 0.00 C ATOM 1035 OG SER A 75 0.171 -10.203 -2.052 1.00 0.00 O ATOM 0 H SER A 75 1.589 -9.945 -3.968 1.00 0.00 H new ATOM 0 HA SER A 75 -0.298 -7.893 -3.498 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.820 -9.045 -1.628 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.280 -8.345 -1.171 1.00 0.00 H new ATOM 0 HG SER A 75 -0.746 -10.098 -2.380 1.00 0.00 H new ATOM 1041 N VAL A 76 2.867 -7.048 -3.147 1.00 0.00 N ATOM 1042 CA VAL A 76 3.755 -5.912 -2.977 1.00 0.00 C ATOM 1043 C VAL A 76 3.760 -5.053 -4.242 1.00 0.00 C ATOM 1044 O VAL A 76 4.058 -3.859 -4.195 1.00 0.00 O ATOM 1045 CB VAL A 76 5.190 -6.369 -2.613 1.00 0.00 C ATOM 1046 CG1 VAL A 76 6.034 -6.637 -3.852 1.00 0.00 C ATOM 1047 CG2 VAL A 76 5.860 -5.358 -1.700 1.00 0.00 C ATOM 0 H VAL A 76 3.342 -7.947 -3.229 1.00 0.00 H new ATOM 0 HA VAL A 76 3.384 -5.310 -2.148 1.00 0.00 H new ATOM 0 HB VAL A 76 5.107 -7.313 -2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.032 -6.955 -3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.567 -7.422 -4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.107 -5.726 -4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.867 -5.698 -1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.915 -4.393 -2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.280 -5.256 -0.783 1.00 0.00 H new ATOM 1057 N GLN A 77 3.407 -5.672 -5.366 1.00 0.00 N ATOM 1058 CA GLN A 77 3.304 -4.967 -6.632 1.00 0.00 C ATOM 1059 C GLN A 77 2.068 -4.073 -6.629 1.00 0.00 C ATOM 1060 O GLN A 77 2.161 -2.879 -6.898 1.00 0.00 O ATOM 1061 CB GLN A 77 3.239 -5.968 -7.788 1.00 0.00 C ATOM 1062 CG GLN A 77 3.303 -5.323 -9.161 1.00 0.00 C ATOM 1063 CD GLN A 77 3.203 -6.335 -10.283 1.00 0.00 C ATOM 1064 OE1 GLN A 77 2.111 -6.641 -10.763 1.00 0.00 O ATOM 1065 NE2 GLN A 77 4.337 -6.872 -10.701 1.00 0.00 N ATOM 0 H GLN A 77 3.187 -6.667 -5.421 1.00 0.00 H new ATOM 0 HA GLN A 77 4.187 -4.342 -6.765 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.062 -6.676 -7.690 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.315 -6.541 -7.709 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.494 -4.599 -9.256 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.238 -4.771 -9.256 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.221 -6.591 -10.277 1.00 0.00 H new ATOM 0 HE22 GLN A 77 4.327 -7.567 -11.448 1.00 0.00 H new ATOM 1074 N LYS A 78 0.917 -4.665 -6.304 1.00 0.00 N ATOM 1075 CA LYS A 78 -0.341 -3.921 -6.186 1.00 0.00 C ATOM 1076 C LYS A 78 -0.189 -2.759 -5.200 1.00 0.00 C ATOM 1077 O LYS A 78 -0.638 -1.634 -5.460 1.00 0.00 O ATOM 1078 CB LYS A 78 -1.459 -4.872 -5.723 1.00 0.00 C ATOM 1079 CG LYS A 78 -2.793 -4.188 -5.436 1.00 0.00 C ATOM 1080 CD LYS A 78 -3.457 -3.669 -6.697 1.00 0.00 C ATOM 1081 CE LYS A 78 -3.963 -4.802 -7.579 1.00 0.00 C ATOM 1082 NZ LYS A 78 -5.095 -5.538 -6.956 1.00 0.00 N ATOM 0 H LYS A 78 0.829 -5.664 -6.117 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.601 -3.508 -7.160 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.612 -5.632 -6.489 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.129 -5.389 -4.822 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.461 -4.893 -4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.633 -3.360 -4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.289 -3.019 -6.428 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.747 -3.062 -7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.280 -4.398 -8.540 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.147 -5.496 -7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.834 -6.537 -6.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.313 -5.120 -6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.932 -5.473 -7.570 1.00 0.00 H new ATOM 1096 N ALA A 79 0.463 -3.043 -4.080 1.00 0.00 N ATOM 1097 CA ALA A 79 0.736 -2.036 -3.068 1.00 0.00 C ATOM 1098 C ALA A 79 1.526 -0.872 -3.663 1.00 0.00 C ATOM 1099 O ALA A 79 1.123 0.287 -3.557 1.00 0.00 O ATOM 1100 CB ALA A 79 1.503 -2.655 -1.914 1.00 0.00 C ATOM 0 H ALA A 79 0.815 -3.972 -3.850 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.214 -1.651 -2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.703 -1.894 -1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.911 -3.456 -1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.446 -3.060 -2.280 1.00 0.00 H new ATOM 1106 N LYS A 80 2.643 -1.193 -4.315 1.00 0.00 N ATOM 1107 CA LYS A 80 3.496 -0.172 -4.913 1.00 0.00 C ATOM 1108 C LYS A 80 2.801 0.530 -6.079 1.00 0.00 C ATOM 1109 O LYS A 80 3.162 1.652 -6.424 1.00 0.00 O ATOM 1110 CB LYS A 80 4.830 -0.760 -5.384 1.00 0.00 C ATOM 1111 CG LYS A 80 5.780 -1.140 -4.256 1.00 0.00 C ATOM 1112 CD LYS A 80 7.200 -1.306 -4.779 1.00 0.00 C ATOM 1113 CE LYS A 80 7.729 -2.726 -4.608 1.00 0.00 C ATOM 1114 NZ LYS A 80 8.439 -2.902 -3.308 1.00 0.00 N ATOM 0 H LYS A 80 2.976 -2.149 -4.441 1.00 0.00 H new ATOM 0 HA LYS A 80 3.695 0.564 -4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.631 -1.645 -5.989 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.325 -0.036 -6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.760 -0.372 -3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.448 -2.068 -3.792 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.227 -1.037 -5.835 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.859 -0.612 -4.256 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.900 -3.432 -4.668 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.408 -2.962 -5.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.694 -3.903 -3.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.302 -2.321 -3.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.817 -2.605 -2.530 1.00 0.00 H new ATOM 1128 N MET A 81 1.814 -0.130 -6.685 1.00 0.00 N ATOM 1129 CA MET A 81 1.046 0.478 -7.770 1.00 0.00 C ATOM 1130 C MET A 81 0.358 1.743 -7.288 1.00 0.00 C ATOM 1131 O MET A 81 0.514 2.810 -7.887 1.00 0.00 O ATOM 1132 CB MET A 81 0.003 -0.494 -8.337 1.00 0.00 C ATOM 1133 CG MET A 81 0.594 -1.604 -9.194 1.00 0.00 C ATOM 1134 SD MET A 81 1.465 -0.980 -10.645 1.00 0.00 S ATOM 1135 CE MET A 81 1.961 -2.517 -11.423 1.00 0.00 C ATOM 0 H MET A 81 1.529 -1.079 -6.445 1.00 0.00 H new ATOM 0 HA MET A 81 1.747 0.728 -8.566 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.549 -0.942 -7.510 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.716 0.068 -8.933 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.282 -2.196 -8.590 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.205 -2.273 -9.515 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.253 -2.325 -12.455 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.805 -2.944 -10.881 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.127 -3.219 -11.407 1.00 0.00 H new ATOM 1145 N MET A 82 -0.387 1.630 -6.190 1.00 0.00 N ATOM 1146 CA MET A 82 -1.069 2.793 -5.625 1.00 0.00 C ATOM 1147 C MET A 82 -0.058 3.779 -5.054 1.00 0.00 C ATOM 1148 O MET A 82 -0.221 4.991 -5.176 1.00 0.00 O ATOM 1149 CB MET A 82 -2.058 2.390 -4.527 1.00 0.00 C ATOM 1150 CG MET A 82 -3.150 1.441 -4.990 1.00 0.00 C ATOM 1151 SD MET A 82 -3.996 2.000 -6.483 1.00 0.00 S ATOM 1152 CE MET A 82 -5.086 0.608 -6.778 1.00 0.00 C ATOM 0 H MET A 82 -0.533 0.759 -5.680 1.00 0.00 H new ATOM 0 HA MET A 82 -1.625 3.265 -6.435 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.507 1.922 -3.711 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.522 3.290 -4.123 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.714 0.459 -5.174 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.881 1.321 -4.190 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.383 0.595 -7.827 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.566 -0.319 -6.536 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.972 0.701 -6.151 1.00 0.00 H new ATOM 1162 N LEU A 83 0.994 3.248 -4.447 1.00 0.00 N ATOM 1163 CA LEU A 83 2.028 4.076 -3.835 1.00 0.00 C ATOM 1164 C LEU A 83 2.693 4.975 -4.865 1.00 0.00 C ATOM 1165 O LEU A 83 2.716 6.192 -4.706 1.00 0.00 O ATOM 1166 CB LEU A 83 3.082 3.209 -3.136 1.00 0.00 C ATOM 1167 CG LEU A 83 2.912 3.048 -1.620 1.00 0.00 C ATOM 1168 CD1 LEU A 83 3.057 4.393 -0.924 1.00 0.00 C ATOM 1169 CD2 LEU A 83 1.566 2.419 -1.284 1.00 0.00 C ATOM 0 H LEU A 83 1.156 2.244 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 83 1.544 4.706 -3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.071 2.219 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.065 3.638 -3.329 1.00 0.00 H new ATOM 0 HG LEU A 83 3.696 2.381 -1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.934 4.262 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.046 4.804 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.295 5.079 -1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.472 2.317 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.764 3.054 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.498 1.436 -1.749 1.00 0.00 H new ATOM 1181 N ASP A 84 3.210 4.377 -5.930 1.00 0.00 N ATOM 1182 CA ASP A 84 3.881 5.141 -6.977 1.00 0.00 C ATOM 1183 C ASP A 84 2.927 6.145 -7.599 1.00 0.00 C ATOM 1184 O ASP A 84 3.323 7.246 -7.957 1.00 0.00 O ATOM 1185 CB ASP A 84 4.435 4.215 -8.065 1.00 0.00 C ATOM 1186 CG ASP A 84 5.167 4.983 -9.149 1.00 0.00 C ATOM 1187 OD1 ASP A 84 6.359 5.298 -8.955 1.00 0.00 O ATOM 1188 OD2 ASP A 84 4.555 5.278 -10.199 1.00 0.00 O ATOM 0 H ASP A 84 3.179 3.371 -6.093 1.00 0.00 H new ATOM 0 HA ASP A 84 4.712 5.675 -6.517 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.113 3.491 -7.613 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.616 3.650 -8.511 1.00 0.00 H new ATOM 1193 N ASP A 85 1.663 5.759 -7.698 1.00 0.00 N ATOM 1194 CA ASP A 85 0.639 6.603 -8.304 1.00 0.00 C ATOM 1195 C ASP A 85 0.423 7.880 -7.494 1.00 0.00 C ATOM 1196 O ASP A 85 0.554 8.993 -8.009 1.00 0.00 O ATOM 1197 CB ASP A 85 -0.676 5.827 -8.416 1.00 0.00 C ATOM 1198 CG ASP A 85 -1.736 6.574 -9.209 1.00 0.00 C ATOM 1199 OD1 ASP A 85 -2.451 7.420 -8.630 1.00 0.00 O ATOM 1200 OD2 ASP A 85 -1.867 6.298 -10.422 1.00 0.00 O ATOM 0 H ASP A 85 1.318 4.859 -7.364 1.00 0.00 H new ATOM 0 HA ASP A 85 0.979 6.888 -9.300 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.485 4.864 -8.891 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.056 5.619 -7.416 1.00 0.00 H new ATOM 1205 N ILE A 86 0.113 7.717 -6.216 1.00 0.00 N ATOM 1206 CA ILE A 86 -0.204 8.851 -5.359 1.00 0.00 C ATOM 1207 C ILE A 86 1.050 9.642 -4.997 1.00 0.00 C ATOM 1208 O ILE A 86 1.047 10.874 -5.020 1.00 0.00 O ATOM 1209 CB ILE A 86 -0.960 8.406 -4.083 1.00 0.00 C ATOM 1210 CG1 ILE A 86 -2.434 8.149 -4.408 1.00 0.00 C ATOM 1211 CG2 ILE A 86 -0.838 9.437 -2.970 1.00 0.00 C ATOM 1212 CD1 ILE A 86 -2.664 6.936 -5.281 1.00 0.00 C ATOM 0 H ILE A 86 0.074 6.811 -5.749 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.864 9.507 -5.926 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.503 7.482 -3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.985 8.024 -3.476 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.845 9.027 -4.906 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.381 9.090 -2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.213 9.575 -2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.258 10.385 -3.305 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.732 6.819 -5.468 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.142 7.066 -6.229 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.285 6.047 -4.776 1.00 0.00 H new ATOM 1224 N VAL A 87 2.133 8.951 -4.700 1.00 0.00 N ATOM 1225 CA VAL A 87 3.367 9.637 -4.375 1.00 0.00 C ATOM 1226 C VAL A 87 3.868 10.427 -5.586 1.00 0.00 C ATOM 1227 O VAL A 87 4.512 11.455 -5.433 1.00 0.00 O ATOM 1228 CB VAL A 87 4.462 8.673 -3.878 1.00 0.00 C ATOM 1229 CG1 VAL A 87 5.752 9.436 -3.604 1.00 0.00 C ATOM 1230 CG2 VAL A 87 4.013 7.939 -2.623 1.00 0.00 C ATOM 0 H VAL A 87 2.184 7.933 -4.677 1.00 0.00 H new ATOM 0 HA VAL A 87 3.148 10.324 -3.558 1.00 0.00 H new ATOM 0 HB VAL A 87 4.644 7.935 -4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.517 8.743 -3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.091 9.918 -4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.572 10.193 -2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.804 7.265 -2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.800 8.662 -1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.113 7.363 -2.840 1.00 0.00 H new ATOM 1240 N SER A 88 3.537 9.969 -6.786 1.00 0.00 N ATOM 1241 CA SER A 88 3.920 10.683 -7.997 1.00 0.00 C ATOM 1242 C SER A 88 3.042 11.915 -8.204 1.00 0.00 C ATOM 1243 O SER A 88 3.496 12.919 -8.738 1.00 0.00 O ATOM 1244 CB SER A 88 3.830 9.764 -9.216 1.00 0.00 C ATOM 1245 OG SER A 88 4.404 10.359 -10.370 1.00 0.00 O ATOM 0 H SER A 88 3.008 9.112 -6.947 1.00 0.00 H new ATOM 0 HA SER A 88 4.953 11.010 -7.880 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.339 8.824 -9.001 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.785 9.523 -9.413 1.00 0.00 H new ATOM 0 HG SER A 88 4.329 9.742 -11.128 1.00 0.00 H new ATOM 1251 N ARG A 89 1.786 11.851 -7.772 1.00 0.00 N ATOM 1252 CA ARG A 89 0.893 12.992 -7.938 1.00 0.00 C ATOM 1253 C ARG A 89 1.192 14.064 -6.888 1.00 0.00 C ATOM 1254 O ARG A 89 0.713 15.194 -6.983 1.00 0.00 O ATOM 1255 CB ARG A 89 -0.583 12.565 -7.874 1.00 0.00 C ATOM 1256 CG ARG A 89 -1.071 12.178 -6.486 1.00 0.00 C ATOM 1257 CD ARG A 89 -2.564 11.900 -6.468 1.00 0.00 C ATOM 1258 NE ARG A 89 -2.913 10.685 -7.204 1.00 0.00 N ATOM 1259 CZ ARG A 89 -4.162 10.352 -7.528 1.00 0.00 C ATOM 1260 NH1 ARG A 89 -5.165 11.177 -7.242 1.00 0.00 N ATOM 1261 NH2 ARG A 89 -4.401 9.205 -8.145 1.00 0.00 N ATOM 0 H ARG A 89 1.370 11.040 -7.314 1.00 0.00 H new ATOM 0 HA ARG A 89 1.072 13.414 -8.927 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.200 13.382 -8.247 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.733 11.720 -8.546 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.533 11.293 -6.145 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.843 12.980 -5.784 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.901 11.806 -5.436 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.094 12.749 -6.900 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.159 10.058 -7.485 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.978 12.064 -6.775 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.121 10.923 -7.490 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.630 8.577 -8.372 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.357 8.949 -8.393 1.00 0.00 H new ATOM 1275 N GLY A 90 1.984 13.699 -5.885 1.00 0.00 N ATOM 1276 CA GLY A 90 2.391 14.659 -4.877 1.00 0.00 C ATOM 1277 C GLY A 90 3.841 15.087 -5.018 1.00 0.00 C ATOM 1278 O GLY A 90 4.145 16.279 -5.026 1.00 0.00 O ATOM 0 H GLY A 90 2.351 12.756 -5.753 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.750 15.538 -4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.240 14.226 -3.888 1.00 0.00 H new ATOM 1282 N ARG A 91 4.734 14.116 -5.131 1.00 0.00 N ATOM 1283 CA ARG A 91 6.165 14.380 -5.215 1.00 0.00 C ATOM 1284 C ARG A 91 6.629 14.503 -6.662 1.00 0.00 C ATOM 1285 O ARG A 91 6.832 15.614 -7.161 1.00 0.00 O ATOM 1286 CB ARG A 91 6.956 13.276 -4.499 1.00 0.00 C ATOM 1287 CG ARG A 91 7.064 13.464 -2.994 1.00 0.00 C ATOM 1288 CD ARG A 91 7.842 14.724 -2.651 1.00 0.00 C ATOM 1289 NE ARG A 91 8.101 14.856 -1.219 1.00 0.00 N ATOM 1290 CZ ARG A 91 8.874 15.808 -0.698 1.00 0.00 C ATOM 1291 NH1 ARG A 91 9.422 16.727 -1.483 1.00 0.00 N ATOM 1292 NH2 ARG A 91 9.084 15.850 0.605 1.00 0.00 N ATOM 0 H ARG A 91 4.490 13.126 -5.167 1.00 0.00 H new ATOM 0 HA ARG A 91 6.354 15.333 -4.721 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.482 12.315 -4.701 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.960 13.231 -4.921 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.066 13.520 -2.560 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.556 12.598 -2.551 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.790 14.718 -3.188 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.285 15.595 -2.997 1.00 0.00 H new ATOM 0 HE ARG A 91 7.668 14.184 -0.585 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.252 16.706 -2.489 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.013 17.454 -1.081 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.654 15.153 1.214 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.676 16.579 1.003 1.00 0.00 H new