USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 468 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 53 MET CE :methyl 158:sc= -0.289 (180deg=-0.625) USER MOD Set 1.2: A 56 GLN : amide:sc= -4.11! C(o=-4.4!,f=-5.8!) USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 33 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 22 TYR OH : rot 30:sc= 0.864 USER MOD Set 3.2: A 55 HIS : no HE2:sc= -0.0244 K(o=0.84,f=-8.8!) USER MOD Single : A 9 THR OG1 : rot 130:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -98:sc= -0.24 (180deg=-1.8!) USER MOD Single : A 25 HIS : no HE2:sc= -4.87! C(o=-4.9!,f=-4.4!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 149:sc= -0.632 (180deg=-2.39!) USER MOD Single : A 40 MET CE :methyl 156:sc= -5.97! (180deg=-6.88!) USER MOD Single : A 41 ASN : amide:sc= -1.31! C(o=-1.3!,f=-1.2!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 80:sc= 0.144 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -160:sc= -1.79 (180deg=-4.09) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 8.006 4.073 -4.881 1.00 0.00 N ATOM 67 CA LEU A 8 8.888 3.006 -4.421 1.00 0.00 C ATOM 68 C LEU A 8 8.342 1.639 -4.818 1.00 0.00 C ATOM 69 O LEU A 8 7.300 1.538 -5.466 1.00 0.00 O ATOM 70 CB LEU A 8 9.060 3.078 -2.902 1.00 0.00 C ATOM 71 CG LEU A 8 7.771 2.916 -2.096 1.00 0.00 C ATOM 72 CD1 LEU A 8 7.354 1.455 -2.045 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.948 3.471 -0.691 1.00 0.00 C ATOM 0 HA LEU A 8 9.859 3.141 -4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.763 2.304 -2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.511 4.037 -2.648 1.00 0.00 H new ATOM 0 HG LEU A 8 6.981 3.481 -2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.435 1.359 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.186 1.089 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.142 0.868 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.021 3.347 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.751 2.934 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.199 4.530 -0.747 1.00 0.00 H new ATOM 85 N THR A 9 9.054 0.587 -4.426 1.00 0.00 N ATOM 86 CA THR A 9 8.643 -0.775 -4.742 1.00 0.00 C ATOM 87 C THR A 9 8.090 -1.482 -3.511 1.00 0.00 C ATOM 88 O THR A 9 8.520 -1.221 -2.387 1.00 0.00 O ATOM 89 CB THR A 9 9.815 -1.598 -5.310 1.00 0.00 C ATOM 90 OG1 THR A 9 9.376 -2.925 -5.621 1.00 0.00 O ATOM 91 CG2 THR A 9 10.965 -1.658 -4.317 1.00 0.00 C ATOM 0 H THR A 9 9.919 0.653 -3.889 1.00 0.00 H new ATOM 0 HA THR A 9 7.861 -0.702 -5.497 1.00 0.00 H new ATOM 0 HB THR A 9 10.166 -1.110 -6.219 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.651 -3.155 -6.533 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.781 -2.244 -4.740 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.316 -0.648 -4.105 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.624 -2.125 -3.393 1.00 0.00 H new ATOM 99 N VAL A 10 7.135 -2.380 -3.728 1.00 0.00 N ATOM 100 CA VAL A 10 6.524 -3.127 -2.635 1.00 0.00 C ATOM 101 C VAL A 10 7.544 -3.442 -1.547 1.00 0.00 C ATOM 102 O VAL A 10 7.198 -3.564 -0.373 1.00 0.00 O ATOM 103 CB VAL A 10 5.900 -4.444 -3.135 1.00 0.00 C ATOM 104 CG1 VAL A 10 5.453 -5.303 -1.962 1.00 0.00 C ATOM 105 CG2 VAL A 10 4.735 -4.159 -4.071 1.00 0.00 C ATOM 0 H VAL A 10 6.767 -2.608 -4.652 1.00 0.00 H new ATOM 0 HA VAL A 10 5.738 -2.495 -2.221 1.00 0.00 H new ATOM 0 HB VAL A 10 6.658 -4.996 -3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.015 -6.229 -2.335 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.312 -5.536 -1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.711 -4.761 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.306 -5.100 -4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.974 -3.586 -3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.089 -3.587 -4.929 1.00 0.00 H new ATOM 115 N GLY A 11 8.806 -3.573 -1.946 1.00 0.00 N ATOM 116 CA GLY A 11 9.858 -3.873 -0.993 1.00 0.00 C ATOM 117 C GLY A 11 10.184 -2.692 -0.100 1.00 0.00 C ATOM 118 O GLY A 11 10.209 -2.820 1.124 1.00 0.00 O ATOM 0 H GLY A 11 9.118 -3.477 -2.912 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.555 -4.719 -0.376 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.756 -4.177 -1.531 1.00 0.00 H new ATOM 122 N ASP A 12 10.436 -1.541 -0.712 1.00 0.00 N ATOM 123 CA ASP A 12 10.763 -0.332 0.036 1.00 0.00 C ATOM 124 C ASP A 12 9.775 -0.115 1.177 1.00 0.00 C ATOM 125 O ASP A 12 10.145 -0.163 2.350 1.00 0.00 O ATOM 126 CB ASP A 12 10.765 0.883 -0.893 1.00 0.00 C ATOM 127 CG ASP A 12 11.836 1.891 -0.526 1.00 0.00 C ATOM 128 OD1 ASP A 12 12.251 1.914 0.652 1.00 0.00 O ATOM 129 OD2 ASP A 12 12.260 2.656 -1.416 1.00 0.00 O ATOM 0 H ASP A 12 10.420 -1.419 -1.725 1.00 0.00 H new ATOM 0 HA ASP A 12 11.759 -0.455 0.461 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.919 0.551 -1.920 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.788 1.366 -0.857 1.00 0.00 H new ATOM 134 N TRP A 13 8.517 0.124 0.825 1.00 0.00 N ATOM 135 CA TRP A 13 7.474 0.349 1.820 1.00 0.00 C ATOM 136 C TRP A 13 7.477 -0.756 2.871 1.00 0.00 C ATOM 137 O TRP A 13 7.727 -0.504 4.049 1.00 0.00 O ATOM 138 CB TRP A 13 6.104 0.425 1.145 1.00 0.00 C ATOM 139 CG TRP A 13 5.027 -0.289 1.904 1.00 0.00 C ATOM 140 CD1 TRP A 13 4.578 0.003 3.161 1.00 0.00 C ATOM 141 CD2 TRP A 13 4.266 -1.416 1.457 1.00 0.00 C ATOM 142 NE1 TRP A 13 3.584 -0.874 3.521 1.00 0.00 N ATOM 143 CE2 TRP A 13 3.373 -1.754 2.492 1.00 0.00 C ATOM 144 CE3 TRP A 13 4.251 -2.171 0.281 1.00 0.00 C ATOM 145 CZ2 TRP A 13 2.477 -2.814 2.386 1.00 0.00 C ATOM 146 CZ3 TRP A 13 3.361 -3.224 0.177 1.00 0.00 C ATOM 147 CH2 TRP A 13 2.484 -3.537 1.224 1.00 0.00 C ATOM 0 H TRP A 13 8.194 0.167 -0.142 1.00 0.00 H new ATOM 0 HA TRP A 13 7.679 1.297 2.317 1.00 0.00 H new ATOM 0 HB2 TRP A 13 5.823 1.471 1.027 1.00 0.00 H new ATOM 0 HB3 TRP A 13 6.176 -0.000 0.144 1.00 0.00 H new ATOM 0 HD1 TRP A 13 4.950 0.806 3.781 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.084 -0.871 4.410 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.922 -1.936 -0.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 1.800 -3.057 3.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 3.341 -3.815 -0.727 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.800 -4.365 1.112 1.00 0.00 H new ATOM 158 N LEU A 14 7.197 -1.980 2.436 1.00 0.00 N ATOM 159 CA LEU A 14 7.167 -3.124 3.341 1.00 0.00 C ATOM 160 C LEU A 14 8.368 -3.106 4.280 1.00 0.00 C ATOM 161 O LEU A 14 8.240 -3.381 5.473 1.00 0.00 O ATOM 162 CB LEU A 14 7.146 -4.430 2.543 1.00 0.00 C ATOM 163 CG LEU A 14 5.796 -4.788 1.923 1.00 0.00 C ATOM 164 CD1 LEU A 14 5.943 -5.956 0.961 1.00 0.00 C ATOM 165 CD2 LEU A 14 4.782 -5.115 3.009 1.00 0.00 C ATOM 0 H LEU A 14 6.988 -2.206 1.463 1.00 0.00 H new ATOM 0 HA LEU A 14 6.260 -3.059 3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.888 -4.364 1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.454 -5.244 3.199 1.00 0.00 H new ATOM 0 HG LEU A 14 5.435 -3.926 1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.971 -6.196 0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.637 -5.687 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.326 -6.824 1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.826 -5.368 2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.138 -5.962 3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.655 -4.250 3.660 1.00 0.00 H new ATOM 177 N ASP A 15 9.534 -2.782 3.733 1.00 0.00 N ATOM 178 CA ASP A 15 10.760 -2.727 4.522 1.00 0.00 C ATOM 179 C ASP A 15 10.578 -1.838 5.748 1.00 0.00 C ATOM 180 O ASP A 15 11.066 -2.152 6.833 1.00 0.00 O ATOM 181 CB ASP A 15 11.918 -2.210 3.668 1.00 0.00 C ATOM 182 CG ASP A 15 13.262 -2.732 4.137 1.00 0.00 C ATOM 183 OD1 ASP A 15 13.464 -3.965 4.103 1.00 0.00 O ATOM 184 OD2 ASP A 15 14.111 -1.909 4.537 1.00 0.00 O ATOM 0 H ASP A 15 9.657 -2.553 2.747 1.00 0.00 H new ATOM 0 HA ASP A 15 10.991 -3.737 4.860 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.760 -2.504 2.630 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.926 -1.120 3.693 1.00 0.00 H new ATOM 189 N SER A 16 9.873 -0.725 5.566 1.00 0.00 N ATOM 190 CA SER A 16 9.631 0.212 6.657 1.00 0.00 C ATOM 191 C SER A 16 9.055 -0.506 7.873 1.00 0.00 C ATOM 192 O SER A 16 9.477 -0.267 9.005 1.00 0.00 O ATOM 193 CB SER A 16 8.676 1.318 6.203 1.00 0.00 C ATOM 194 OG SER A 16 8.782 2.458 7.039 1.00 0.00 O ATOM 0 H SER A 16 9.460 -0.451 4.675 1.00 0.00 H new ATOM 0 HA SER A 16 10.585 0.658 6.939 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.900 1.596 5.173 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.651 0.947 6.217 1.00 0.00 H new ATOM 0 HG SER A 16 8.163 3.151 6.727 1.00 0.00 H new ATOM 200 N ILE A 17 8.089 -1.385 7.630 1.00 0.00 N ATOM 201 CA ILE A 17 7.455 -2.139 8.705 1.00 0.00 C ATOM 202 C ILE A 17 8.127 -3.494 8.896 1.00 0.00 C ATOM 203 O ILE A 17 7.589 -4.376 9.565 1.00 0.00 O ATOM 204 CB ILE A 17 5.955 -2.357 8.431 1.00 0.00 C ATOM 205 CG1 ILE A 17 5.761 -3.189 7.162 1.00 0.00 C ATOM 206 CG2 ILE A 17 5.240 -1.019 8.309 1.00 0.00 C ATOM 207 CD1 ILE A 17 4.311 -3.476 6.843 1.00 0.00 C ATOM 0 H ILE A 17 7.728 -1.593 6.699 1.00 0.00 H new ATOM 0 HA ILE A 17 7.568 -1.548 9.614 1.00 0.00 H new ATOM 0 HB ILE A 17 5.523 -2.903 9.269 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.213 -2.664 6.320 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.294 -4.133 7.271 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.181 -1.189 8.115 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.354 -0.460 9.237 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.672 -0.449 7.487 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.250 -4.070 5.931 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.860 -4.029 7.667 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.777 -2.537 6.701 1.00 0.00 H new ATOM 219 N ARG A 18 9.307 -3.652 8.306 1.00 0.00 N ATOM 220 CA ARG A 18 10.054 -4.900 8.412 1.00 0.00 C ATOM 221 C ARG A 18 9.253 -6.063 7.835 1.00 0.00 C ATOM 222 O ARG A 18 9.293 -7.177 8.357 1.00 0.00 O ATOM 223 CB ARG A 18 10.408 -5.185 9.872 1.00 0.00 C ATOM 224 CG ARG A 18 11.294 -4.123 10.503 1.00 0.00 C ATOM 225 CD ARG A 18 11.773 -4.544 11.883 1.00 0.00 C ATOM 226 NE ARG A 18 12.994 -5.343 11.818 1.00 0.00 N ATOM 227 CZ ARG A 18 13.695 -5.702 12.888 1.00 0.00 C ATOM 228 NH1 ARG A 18 13.296 -5.337 14.099 1.00 0.00 N ATOM 229 NH2 ARG A 18 14.796 -6.429 12.748 1.00 0.00 N ATOM 0 H ARG A 18 9.767 -2.931 7.749 1.00 0.00 H new ATOM 0 HA ARG A 18 10.974 -4.794 7.837 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.488 -5.269 10.450 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.912 -6.150 9.933 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.154 -3.936 9.860 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.743 -3.186 10.578 1.00 0.00 H new ATOM 0 HD2 ARG A 18 11.952 -3.657 12.491 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.990 -5.118 12.379 1.00 0.00 H new ATOM 0 HE ARG A 18 13.327 -5.642 10.901 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.449 -4.779 14.210 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.836 -5.614 14.919 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.105 -6.713 11.818 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.333 -6.704 13.570 1.00 0.00 H new ATOM 243 N MET A 19 8.526 -5.796 6.755 1.00 0.00 N ATOM 244 CA MET A 19 7.716 -6.822 6.107 1.00 0.00 C ATOM 245 C MET A 19 8.178 -7.053 4.672 1.00 0.00 C ATOM 246 O MET A 19 7.641 -7.905 3.966 1.00 0.00 O ATOM 247 CB MET A 19 6.240 -6.420 6.121 1.00 0.00 C ATOM 248 CG MET A 19 5.608 -6.479 7.502 1.00 0.00 C ATOM 249 SD MET A 19 5.353 -8.168 8.079 1.00 0.00 S ATOM 250 CE MET A 19 6.495 -8.232 9.457 1.00 0.00 C ATOM 0 H MET A 19 8.481 -4.879 6.310 1.00 0.00 H new ATOM 0 HA MET A 19 7.838 -7.751 6.663 1.00 0.00 H new ATOM 0 HB2 MET A 19 6.144 -5.407 5.729 1.00 0.00 H new ATOM 0 HB3 MET A 19 5.687 -7.076 5.449 1.00 0.00 H new ATOM 0 HG2 MET A 19 6.244 -5.949 8.211 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.651 -5.958 7.482 1.00 0.00 H new ATOM 0 HE1 MET A 19 7.424 -8.705 9.138 1.00 0.00 H new ATOM 0 HE2 MET A 19 6.703 -7.220 9.804 1.00 0.00 H new ATOM 0 HE3 MET A 19 6.054 -8.810 10.269 1.00 0.00 H new ATOM 260 N GLY A 20 9.178 -6.287 4.246 1.00 0.00 N ATOM 261 CA GLY A 20 9.695 -6.424 2.897 1.00 0.00 C ATOM 262 C GLY A 20 10.037 -7.860 2.550 1.00 0.00 C ATOM 263 O GLY A 20 10.123 -8.218 1.375 1.00 0.00 O ATOM 0 H GLY A 20 9.639 -5.574 4.811 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.957 -6.048 2.188 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.586 -5.805 2.788 1.00 0.00 H new ATOM 267 N ARG A 21 10.236 -8.683 3.574 1.00 0.00 N ATOM 268 CA ARG A 21 10.574 -10.087 3.372 1.00 0.00 C ATOM 269 C ARG A 21 9.471 -10.806 2.601 1.00 0.00 C ATOM 270 O ARG A 21 9.718 -11.813 1.938 1.00 0.00 O ATOM 271 CB ARG A 21 10.804 -10.777 4.717 1.00 0.00 C ATOM 272 CG ARG A 21 9.524 -11.050 5.489 1.00 0.00 C ATOM 273 CD ARG A 21 9.808 -11.740 6.814 1.00 0.00 C ATOM 274 NE ARG A 21 10.473 -13.027 6.630 1.00 0.00 N ATOM 275 CZ ARG A 21 10.725 -13.873 7.623 1.00 0.00 C ATOM 276 NH1 ARG A 21 10.367 -13.569 8.863 1.00 0.00 N ATOM 277 NH2 ARG A 21 11.334 -15.025 7.376 1.00 0.00 N ATOM 0 H ARG A 21 10.169 -8.402 4.552 1.00 0.00 H new ATOM 0 HA ARG A 21 11.492 -10.133 2.786 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.324 -11.720 4.548 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.460 -10.156 5.327 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.001 -10.111 5.671 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.861 -11.673 4.888 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.432 -11.095 7.432 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.872 -11.889 7.353 1.00 0.00 H new ATOM 0 HE ARG A 21 10.760 -13.291 5.687 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.897 -12.684 9.056 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.561 -14.220 9.624 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.609 -15.262 6.423 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.527 -15.674 8.139 1.00 0.00 H new ATOM 291 N TYR A 22 8.253 -10.282 2.694 1.00 0.00 N ATOM 292 CA TYR A 22 7.112 -10.876 2.009 1.00 0.00 C ATOM 293 C TYR A 22 6.940 -10.276 0.617 1.00 0.00 C ATOM 294 O TYR A 22 6.151 -10.768 -0.190 1.00 0.00 O ATOM 295 CB TYR A 22 5.835 -10.669 2.826 1.00 0.00 C ATOM 296 CG TYR A 22 5.711 -11.610 4.004 1.00 0.00 C ATOM 297 CD1 TYR A 22 5.660 -12.985 3.816 1.00 0.00 C ATOM 298 CD2 TYR A 22 5.644 -11.123 5.303 1.00 0.00 C ATOM 299 CE1 TYR A 22 5.546 -13.849 4.889 1.00 0.00 C ATOM 300 CE2 TYR A 22 5.531 -11.978 6.382 1.00 0.00 C ATOM 301 CZ TYR A 22 5.482 -13.340 6.169 1.00 0.00 C ATOM 302 OH TYR A 22 5.369 -14.196 7.241 1.00 0.00 O ATOM 0 H TYR A 22 8.031 -9.447 3.237 1.00 0.00 H new ATOM 0 HA TYR A 22 7.300 -11.945 1.905 1.00 0.00 H new ATOM 0 HB2 TYR A 22 5.808 -9.641 3.188 1.00 0.00 H new ATOM 0 HB3 TYR A 22 4.971 -10.800 2.174 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.710 -13.386 2.814 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.681 -10.057 5.472 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.507 -14.916 4.726 1.00 0.00 H new ATOM 0 HE2 TYR A 22 5.481 -11.583 7.386 1.00 0.00 H new ATOM 0 HH TYR A 22 5.807 -15.047 7.028 1.00 0.00 H new ATOM 312 N ARG A 23 7.686 -9.211 0.342 1.00 0.00 N ATOM 313 CA ARG A 23 7.617 -8.543 -0.952 1.00 0.00 C ATOM 314 C ARG A 23 7.452 -9.557 -2.079 1.00 0.00 C ATOM 315 O ARG A 23 6.463 -9.530 -2.812 1.00 0.00 O ATOM 316 CB ARG A 23 8.877 -7.706 -1.185 1.00 0.00 C ATOM 317 CG ARG A 23 8.816 -6.852 -2.440 1.00 0.00 C ATOM 318 CD ARG A 23 10.199 -6.633 -3.033 1.00 0.00 C ATOM 319 NE ARG A 23 10.136 -6.069 -4.378 1.00 0.00 N ATOM 320 CZ ARG A 23 11.154 -6.087 -5.232 1.00 0.00 C ATOM 321 NH1 ARG A 23 12.307 -6.638 -4.881 1.00 0.00 N ATOM 322 NH2 ARG A 23 11.019 -5.553 -6.439 1.00 0.00 N ATOM 0 H ARG A 23 8.345 -8.792 0.998 1.00 0.00 H new ATOM 0 HA ARG A 23 6.747 -7.886 -0.948 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.038 -7.059 -0.323 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.738 -8.371 -1.250 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.175 -7.334 -3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.363 -5.889 -2.204 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.769 -5.965 -2.387 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.735 -7.582 -3.063 1.00 0.00 H new ATOM 0 HE ARG A 23 9.262 -5.637 -4.679 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.414 -7.049 -3.954 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.087 -6.651 -5.538 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.133 -5.128 -6.712 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.801 -5.567 -7.093 1.00 0.00 H new ATOM 336 N ASP A 24 8.426 -10.450 -2.213 1.00 0.00 N ATOM 337 CA ASP A 24 8.389 -11.474 -3.251 1.00 0.00 C ATOM 338 C ASP A 24 6.974 -12.016 -3.428 1.00 0.00 C ATOM 339 O ASP A 24 6.540 -12.296 -4.546 1.00 0.00 O ATOM 340 CB ASP A 24 9.346 -12.615 -2.906 1.00 0.00 C ATOM 341 CG ASP A 24 10.740 -12.389 -3.459 1.00 0.00 C ATOM 342 OD1 ASP A 24 11.569 -11.781 -2.750 1.00 0.00 O ATOM 343 OD2 ASP A 24 11.001 -12.822 -4.601 1.00 0.00 O ATOM 0 H ASP A 24 9.252 -10.486 -1.615 1.00 0.00 H new ATOM 0 HA ASP A 24 8.704 -11.018 -4.189 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.401 -12.724 -1.823 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.949 -13.550 -3.301 1.00 0.00 H new ATOM 348 N HIS A 25 6.259 -12.164 -2.317 1.00 0.00 N ATOM 349 CA HIS A 25 4.892 -12.673 -2.350 1.00 0.00 C ATOM 350 C HIS A 25 3.990 -11.756 -3.169 1.00 0.00 C ATOM 351 O HIS A 25 3.378 -12.183 -4.149 1.00 0.00 O ATOM 352 CB HIS A 25 4.343 -12.813 -0.929 1.00 0.00 C ATOM 353 CG HIS A 25 5.186 -13.678 -0.044 1.00 0.00 C ATOM 354 ND1 HIS A 25 4.725 -14.845 0.528 1.00 0.00 N ATOM 355 CD2 HIS A 25 6.469 -13.541 0.367 1.00 0.00 C ATOM 356 CE1 HIS A 25 5.687 -15.388 1.252 1.00 0.00 C ATOM 357 NE2 HIS A 25 6.756 -14.616 1.171 1.00 0.00 N ATOM 0 H HIS A 25 6.603 -11.939 -1.384 1.00 0.00 H new ATOM 0 HA HIS A 25 4.907 -13.655 -2.824 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.259 -11.823 -0.482 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.336 -13.228 -0.977 1.00 0.00 H new ATOM 0 HD1 HIS A 25 3.787 -15.229 0.410 1.00 0.00 H new ATOM 0 HD2 HIS A 25 7.141 -12.736 0.110 1.00 0.00 H new ATOM 0 HE1 HIS A 25 5.612 -16.307 1.815 1.00 0.00 H new ATOM 366 N PHE A 26 3.910 -10.494 -2.760 1.00 0.00 N ATOM 367 CA PHE A 26 3.080 -9.516 -3.455 1.00 0.00 C ATOM 368 C PHE A 26 3.288 -9.602 -4.965 1.00 0.00 C ATOM 369 O PHE A 26 2.328 -9.622 -5.734 1.00 0.00 O ATOM 370 CB PHE A 26 3.400 -8.103 -2.964 1.00 0.00 C ATOM 371 CG PHE A 26 2.648 -7.715 -1.723 1.00 0.00 C ATOM 372 CD1 PHE A 26 3.077 -8.139 -0.476 1.00 0.00 C ATOM 373 CD2 PHE A 26 1.512 -6.926 -1.804 1.00 0.00 C ATOM 374 CE1 PHE A 26 2.388 -7.784 0.668 1.00 0.00 C ATOM 375 CE2 PHE A 26 0.819 -6.567 -0.663 1.00 0.00 C ATOM 376 CZ PHE A 26 1.256 -6.998 0.574 1.00 0.00 C ATOM 0 H PHE A 26 4.410 -10.124 -1.951 1.00 0.00 H new ATOM 0 HA PHE A 26 2.036 -9.741 -3.236 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.470 -8.028 -2.769 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.170 -7.391 -3.756 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.961 -8.755 -0.397 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.164 -6.588 -2.769 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.734 -8.121 1.634 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.064 -5.950 -0.739 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.714 -6.721 1.466 1.00 0.00 H new ATOM 386 N ALA A 27 4.549 -9.650 -5.380 1.00 0.00 N ATOM 387 CA ALA A 27 4.884 -9.735 -6.796 1.00 0.00 C ATOM 388 C ALA A 27 4.206 -10.934 -7.450 1.00 0.00 C ATOM 389 O ALA A 27 3.897 -10.910 -8.641 1.00 0.00 O ATOM 390 CB ALA A 27 6.393 -9.815 -6.978 1.00 0.00 C ATOM 0 H ALA A 27 5.356 -9.631 -4.756 1.00 0.00 H new ATOM 0 HA ALA A 27 4.518 -8.832 -7.285 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.629 -9.878 -8.040 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.858 -8.924 -6.555 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.775 -10.700 -6.469 1.00 0.00 H new ATOM 396 N ALA A 28 3.979 -11.981 -6.664 1.00 0.00 N ATOM 397 CA ALA A 28 3.336 -13.188 -7.167 1.00 0.00 C ATOM 398 C ALA A 28 1.824 -13.010 -7.255 1.00 0.00 C ATOM 399 O ALA A 28 1.178 -13.538 -8.160 1.00 0.00 O ATOM 400 CB ALA A 28 3.678 -14.377 -6.280 1.00 0.00 C ATOM 0 H ALA A 28 4.231 -12.017 -5.676 1.00 0.00 H new ATOM 0 HA ALA A 28 3.712 -13.377 -8.172 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.191 -15.272 -6.667 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.758 -14.526 -6.272 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.330 -14.185 -5.265 1.00 0.00 H new ATOM 406 N GLY A 29 1.265 -12.261 -6.309 1.00 0.00 N ATOM 407 CA GLY A 29 -0.167 -12.027 -6.298 1.00 0.00 C ATOM 408 C GLY A 29 -0.587 -10.957 -7.286 1.00 0.00 C ATOM 409 O GLY A 29 -1.741 -10.530 -7.296 1.00 0.00 O ATOM 0 H GLY A 29 1.778 -11.812 -5.550 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.686 -12.957 -6.532 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.476 -11.733 -5.295 1.00 0.00 H new ATOM 413 N GLY A 30 0.353 -10.520 -8.118 1.00 0.00 N ATOM 414 CA GLY A 30 0.055 -9.494 -9.101 1.00 0.00 C ATOM 415 C GLY A 30 0.276 -8.094 -8.564 1.00 0.00 C ATOM 416 O GLY A 30 -0.208 -7.118 -9.137 1.00 0.00 O ATOM 0 H GLY A 30 1.315 -10.858 -8.129 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.681 -9.645 -9.980 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.981 -9.596 -9.425 1.00 0.00 H new ATOM 420 N TYR A 31 1.008 -7.995 -7.460 1.00 0.00 N ATOM 421 CA TYR A 31 1.289 -6.704 -6.842 1.00 0.00 C ATOM 422 C TYR A 31 2.792 -6.458 -6.754 1.00 0.00 C ATOM 423 O TYR A 31 3.469 -6.995 -5.878 1.00 0.00 O ATOM 424 CB TYR A 31 0.666 -6.637 -5.447 1.00 0.00 C ATOM 425 CG TYR A 31 -0.827 -6.872 -5.438 1.00 0.00 C ATOM 426 CD1 TYR A 31 -1.717 -5.816 -5.591 1.00 0.00 C ATOM 427 CD2 TYR A 31 -1.348 -8.150 -5.275 1.00 0.00 C ATOM 428 CE1 TYR A 31 -3.083 -6.026 -5.583 1.00 0.00 C ATOM 429 CE2 TYR A 31 -2.712 -8.369 -5.267 1.00 0.00 C ATOM 430 CZ TYR A 31 -3.575 -7.305 -5.421 1.00 0.00 C ATOM 431 OH TYR A 31 -4.934 -7.519 -5.411 1.00 0.00 O ATOM 0 H TYR A 31 1.418 -8.793 -6.974 1.00 0.00 H new ATOM 0 HA TYR A 31 0.849 -5.927 -7.466 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.146 -7.379 -4.808 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.874 -5.659 -5.012 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -1.335 -4.814 -5.718 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.675 -8.986 -5.153 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.761 -5.194 -5.703 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.100 -9.369 -5.141 1.00 0.00 H new ATOM 0 HH TYR A 31 -5.114 -8.475 -5.288 1.00 0.00 H new ATOM 441 N SER A 32 3.306 -5.641 -7.668 1.00 0.00 N ATOM 442 CA SER A 32 4.729 -5.324 -7.696 1.00 0.00 C ATOM 443 C SER A 32 4.963 -3.848 -7.393 1.00 0.00 C ATOM 444 O SER A 32 6.099 -3.416 -7.194 1.00 0.00 O ATOM 445 CB SER A 32 5.324 -5.677 -9.061 1.00 0.00 C ATOM 446 OG SER A 32 4.892 -4.766 -10.057 1.00 0.00 O ATOM 0 H SER A 32 2.758 -5.187 -8.399 1.00 0.00 H new ATOM 0 HA SER A 32 5.224 -5.917 -6.927 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.412 -5.666 -9.001 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.031 -6.690 -9.338 1.00 0.00 H new ATOM 0 HG SER A 32 5.287 -5.012 -10.919 1.00 0.00 H new ATOM 452 N SER A 33 3.880 -3.078 -7.359 1.00 0.00 N ATOM 453 CA SER A 33 3.967 -1.648 -7.084 1.00 0.00 C ATOM 454 C SER A 33 3.103 -1.273 -5.884 1.00 0.00 C ATOM 455 O SER A 33 2.294 -2.072 -5.413 1.00 0.00 O ATOM 456 CB SER A 33 3.531 -0.844 -8.311 1.00 0.00 C ATOM 457 OG SER A 33 4.187 -1.303 -9.480 1.00 0.00 O ATOM 0 H SER A 33 2.932 -3.420 -7.518 1.00 0.00 H new ATOM 0 HA SER A 33 5.005 -1.410 -6.852 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.452 -0.927 -8.439 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.753 0.212 -8.156 1.00 0.00 H new ATOM 0 HG SER A 33 3.890 -0.775 -10.250 1.00 0.00 H new ATOM 463 N LEU A 34 3.283 -0.051 -5.393 1.00 0.00 N ATOM 464 CA LEU A 34 2.521 0.432 -4.246 1.00 0.00 C ATOM 465 C LEU A 34 1.114 0.847 -4.664 1.00 0.00 C ATOM 466 O LEU A 34 0.137 0.538 -3.984 1.00 0.00 O ATOM 467 CB LEU A 34 3.241 1.613 -3.591 1.00 0.00 C ATOM 468 CG LEU A 34 4.299 1.232 -2.556 1.00 0.00 C ATOM 469 CD1 LEU A 34 3.703 1.233 -1.157 1.00 0.00 C ATOM 470 CD2 LEU A 34 4.896 -0.130 -2.880 1.00 0.00 C ATOM 0 H LEU A 34 3.949 0.623 -5.771 1.00 0.00 H new ATOM 0 HA LEU A 34 2.441 -0.381 -3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.716 2.208 -4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.499 2.251 -3.111 1.00 0.00 H new ATOM 0 HG LEU A 34 5.096 1.975 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.471 0.959 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.323 2.228 -0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.886 0.513 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.647 -0.385 -2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.108 -0.883 -2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.361 -0.098 -3.866 1.00 0.00 H new ATOM 482 N GLY A 35 1.020 1.549 -5.789 1.00 0.00 N ATOM 483 CA GLY A 35 -0.271 1.996 -6.278 1.00 0.00 C ATOM 484 C GLY A 35 -1.317 0.900 -6.238 1.00 0.00 C ATOM 485 O GLY A 35 -2.447 1.127 -5.807 1.00 0.00 O ATOM 0 H GLY A 35 1.815 1.816 -6.370 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.611 2.840 -5.678 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.164 2.355 -7.302 1.00 0.00 H new ATOM 489 N MET A 36 -0.941 -0.292 -6.690 1.00 0.00 N ATOM 490 CA MET A 36 -1.856 -1.427 -6.704 1.00 0.00 C ATOM 491 C MET A 36 -1.981 -2.043 -5.314 1.00 0.00 C ATOM 492 O MET A 36 -2.952 -2.738 -5.017 1.00 0.00 O ATOM 493 CB MET A 36 -1.377 -2.484 -7.702 1.00 0.00 C ATOM 494 CG MET A 36 0.034 -2.979 -7.431 1.00 0.00 C ATOM 495 SD MET A 36 0.785 -3.761 -8.872 1.00 0.00 S ATOM 496 CE MET A 36 0.429 -2.546 -10.139 1.00 0.00 C ATOM 0 H MET A 36 -0.009 -0.497 -7.051 1.00 0.00 H new ATOM 0 HA MET A 36 -2.837 -1.066 -7.011 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.062 -3.332 -7.678 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.420 -2.068 -8.709 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.654 -2.141 -7.113 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.013 -3.691 -6.606 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.221 -2.558 -10.888 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.523 -2.784 -10.614 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.372 -1.556 -9.688 1.00 0.00 H new ATOM 506 N VAL A 37 -0.990 -1.783 -4.466 1.00 0.00 N ATOM 507 CA VAL A 37 -0.989 -2.311 -3.107 1.00 0.00 C ATOM 508 C VAL A 37 -1.960 -1.541 -2.218 1.00 0.00 C ATOM 509 O VAL A 37 -2.622 -2.120 -1.357 1.00 0.00 O ATOM 510 CB VAL A 37 0.418 -2.253 -2.483 1.00 0.00 C ATOM 511 CG1 VAL A 37 0.334 -2.340 -0.967 1.00 0.00 C ATOM 512 CG2 VAL A 37 1.294 -3.364 -3.042 1.00 0.00 C ATOM 0 H VAL A 37 -0.178 -1.210 -4.697 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.307 -3.352 -3.171 1.00 0.00 H new ATOM 0 HB VAL A 37 0.873 -1.297 -2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.338 -2.297 -0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.256 -1.506 -0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.140 -3.279 -0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.285 -3.308 -2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.845 -4.331 -2.814 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.381 -3.250 -4.123 1.00 0.00 H new ATOM 522 N LEU A 38 -2.040 -0.233 -2.433 1.00 0.00 N ATOM 523 CA LEU A 38 -2.930 0.618 -1.651 1.00 0.00 C ATOM 524 C LEU A 38 -4.386 0.206 -1.846 1.00 0.00 C ATOM 525 O LEU A 38 -5.250 0.541 -1.037 1.00 0.00 O ATOM 526 CB LEU A 38 -2.745 2.085 -2.046 1.00 0.00 C ATOM 527 CG LEU A 38 -1.368 2.670 -1.735 1.00 0.00 C ATOM 528 CD1 LEU A 38 -1.355 4.169 -1.985 1.00 0.00 C ATOM 529 CD2 LEU A 38 -0.972 2.365 -0.298 1.00 0.00 C ATOM 0 H LEU A 38 -1.499 0.262 -3.142 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.675 0.498 -0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.932 2.184 -3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.500 2.681 -1.534 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.639 2.206 -2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.366 4.567 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.594 4.366 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.095 4.651 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.011 2.789 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.704 2.802 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.939 1.285 -0.151 1.00 0.00 H new ATOM 541 N ARG A 39 -4.649 -0.523 -2.926 1.00 0.00 N ATOM 542 CA ARG A 39 -5.999 -0.980 -3.229 1.00 0.00 C ATOM 543 C ARG A 39 -6.176 -2.446 -2.845 1.00 0.00 C ATOM 544 O ARG A 39 -7.082 -3.121 -3.334 1.00 0.00 O ATOM 545 CB ARG A 39 -6.303 -0.790 -4.716 1.00 0.00 C ATOM 546 CG ARG A 39 -5.608 -1.801 -5.613 1.00 0.00 C ATOM 547 CD ARG A 39 -6.298 -1.914 -6.964 1.00 0.00 C ATOM 548 NE ARG A 39 -7.468 -2.787 -6.909 1.00 0.00 N ATOM 549 CZ ARG A 39 -8.479 -2.716 -7.767 1.00 0.00 C ATOM 550 NH1 ARG A 39 -8.465 -1.816 -8.740 1.00 0.00 N ATOM 551 NH2 ARG A 39 -9.508 -3.546 -7.652 1.00 0.00 N ATOM 0 H ARG A 39 -3.944 -0.810 -3.606 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.698 -0.383 -2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.380 -0.860 -4.870 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.003 0.215 -5.014 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.568 -1.507 -5.758 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.598 -2.776 -5.125 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.601 -0.922 -7.301 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.593 -2.299 -7.700 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.511 -3.490 -6.171 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.676 -1.176 -8.831 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.243 -1.764 -9.398 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.523 -4.239 -6.904 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.284 -3.491 -8.312 1.00 0.00 H new ATOM 565 N MET A 40 -5.303 -2.933 -1.969 1.00 0.00 N ATOM 566 CA MET A 40 -5.364 -4.319 -1.520 1.00 0.00 C ATOM 567 C MET A 40 -6.047 -4.421 -0.160 1.00 0.00 C ATOM 568 O MET A 40 -6.239 -3.417 0.525 1.00 0.00 O ATOM 569 CB MET A 40 -3.957 -4.915 -1.444 1.00 0.00 C ATOM 570 CG MET A 40 -3.394 -5.320 -2.796 1.00 0.00 C ATOM 571 SD MET A 40 -1.798 -6.149 -2.664 1.00 0.00 S ATOM 572 CE MET A 40 -2.126 -7.305 -1.336 1.00 0.00 C ATOM 0 H MET A 40 -4.546 -2.389 -1.556 1.00 0.00 H new ATOM 0 HA MET A 40 -5.951 -4.884 -2.244 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.288 -4.188 -0.984 1.00 0.00 H new ATOM 0 HB3 MET A 40 -3.976 -5.788 -0.791 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.102 -5.981 -3.297 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.288 -4.434 -3.421 1.00 0.00 H new ATOM 0 HE1 MET A 40 -1.439 -8.148 -1.409 1.00 0.00 H new ATOM 0 HE2 MET A 40 -1.988 -6.806 -0.377 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.152 -7.666 -1.413 1.00 0.00 H new ATOM 582 N ASN A 41 -6.411 -5.640 0.224 1.00 0.00 N ATOM 583 CA ASN A 41 -7.073 -5.872 1.503 1.00 0.00 C ATOM 584 C ASN A 41 -6.763 -7.270 2.031 1.00 0.00 C ATOM 585 O ASN A 41 -6.225 -8.110 1.311 1.00 0.00 O ATOM 586 CB ASN A 41 -8.586 -5.694 1.357 1.00 0.00 C ATOM 587 CG ASN A 41 -8.947 -4.532 0.452 1.00 0.00 C ATOM 588 OD1 ASN A 41 -9.132 -3.406 0.912 1.00 0.00 O ATOM 589 ND2 ASN A 41 -9.048 -4.802 -0.845 1.00 0.00 N ATOM 0 H ASN A 41 -6.259 -6.482 -0.331 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.695 -5.141 2.218 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.020 -6.611 0.957 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.027 -5.535 2.341 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.288 -4.060 -1.503 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.886 -5.751 -1.183 1.00 0.00 H new ATOM 596 N ALA A 42 -7.107 -7.510 3.292 1.00 0.00 N ATOM 597 CA ALA A 42 -6.868 -8.805 3.915 1.00 0.00 C ATOM 598 C ALA A 42 -7.024 -9.938 2.906 1.00 0.00 C ATOM 599 O ALA A 42 -6.172 -10.821 2.814 1.00 0.00 O ATOM 600 CB ALA A 42 -7.813 -9.008 5.090 1.00 0.00 C ATOM 0 H ALA A 42 -7.552 -6.824 3.902 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.842 -8.820 4.282 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.623 -9.980 5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.650 -8.223 5.828 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.844 -8.967 4.739 1.00 0.00 H new ATOM 606 N GLN A 43 -8.118 -9.905 2.152 1.00 0.00 N ATOM 607 CA GLN A 43 -8.386 -10.930 1.150 1.00 0.00 C ATOM 608 C GLN A 43 -7.206 -11.080 0.196 1.00 0.00 C ATOM 609 O GLN A 43 -6.781 -12.194 -0.111 1.00 0.00 O ATOM 610 CB GLN A 43 -9.652 -10.586 0.364 1.00 0.00 C ATOM 611 CG GLN A 43 -10.925 -10.678 1.190 1.00 0.00 C ATOM 612 CD GLN A 43 -12.160 -10.896 0.337 1.00 0.00 C ATOM 613 OE1 GLN A 43 -12.237 -10.422 -0.797 1.00 0.00 O ATOM 614 NE2 GLN A 43 -13.134 -11.616 0.879 1.00 0.00 N ATOM 0 H GLN A 43 -8.833 -9.180 2.216 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.534 -11.878 1.667 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.559 -9.575 -0.034 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -9.733 -11.259 -0.490 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.832 -11.496 1.904 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.045 -9.762 1.769 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -13.028 -11.990 1.822 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -13.989 -11.796 0.352 1.00 0.00 H new ATOM 623 N ASP A 44 -6.682 -9.952 -0.271 1.00 0.00 N ATOM 624 CA ASP A 44 -5.549 -9.959 -1.190 1.00 0.00 C ATOM 625 C ASP A 44 -4.266 -10.358 -0.469 1.00 0.00 C ATOM 626 O ASP A 44 -3.626 -11.349 -0.821 1.00 0.00 O ATOM 627 CB ASP A 44 -5.380 -8.581 -1.833 1.00 0.00 C ATOM 628 CG ASP A 44 -6.617 -8.140 -2.590 1.00 0.00 C ATOM 629 OD1 ASP A 44 -7.348 -9.017 -3.098 1.00 0.00 O ATOM 630 OD2 ASP A 44 -6.856 -6.917 -2.674 1.00 0.00 O ATOM 0 H ASP A 44 -7.023 -9.022 -0.029 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.749 -10.694 -1.969 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.150 -7.848 -1.060 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.529 -8.603 -2.514 1.00 0.00 H new ATOM 635 N VAL A 45 -3.895 -9.579 0.543 1.00 0.00 N ATOM 636 CA VAL A 45 -2.688 -9.851 1.314 1.00 0.00 C ATOM 637 C VAL A 45 -2.622 -11.316 1.734 1.00 0.00 C ATOM 638 O VAL A 45 -1.634 -12.003 1.474 1.00 0.00 O ATOM 639 CB VAL A 45 -2.613 -8.965 2.571 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.378 -9.304 3.391 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.619 -7.493 2.186 1.00 0.00 C ATOM 0 H VAL A 45 -4.413 -8.755 0.847 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.841 -9.623 0.667 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.492 -9.161 3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.342 -8.668 4.275 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.420 -10.349 3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.485 -9.139 2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.566 -6.881 3.087 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.759 -7.280 1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.536 -7.262 1.645 1.00 0.00 H new ATOM 651 N ARG A 46 -3.681 -11.787 2.384 1.00 0.00 N ATOM 652 CA ARG A 46 -3.744 -13.170 2.840 1.00 0.00 C ATOM 653 C ARG A 46 -3.336 -14.130 1.726 1.00 0.00 C ATOM 654 O ARG A 46 -2.579 -15.073 1.952 1.00 0.00 O ATOM 655 CB ARG A 46 -5.155 -13.506 3.326 1.00 0.00 C ATOM 656 CG ARG A 46 -5.210 -14.710 4.252 1.00 0.00 C ATOM 657 CD ARG A 46 -4.735 -15.973 3.552 1.00 0.00 C ATOM 658 NE ARG A 46 -5.297 -17.178 4.156 1.00 0.00 N ATOM 659 CZ ARG A 46 -6.584 -17.500 4.093 1.00 0.00 C ATOM 660 NH1 ARG A 46 -7.437 -16.711 3.455 1.00 0.00 N ATOM 661 NH2 ARG A 46 -7.020 -18.614 4.668 1.00 0.00 N ATOM 0 H ARG A 46 -4.507 -11.231 2.607 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.045 -13.284 3.668 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.567 -12.640 3.845 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.793 -13.693 2.462 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.591 -14.524 5.129 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.231 -14.851 4.607 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.015 -15.931 2.499 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.647 -16.022 3.591 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.667 -17.807 4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.105 -15.855 3.011 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.425 -16.960 3.408 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.366 -19.224 5.159 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.009 -18.860 4.619 1.00 0.00 H new ATOM 675 N ALA A 47 -3.844 -13.881 0.523 1.00 0.00 N ATOM 676 CA ALA A 47 -3.532 -14.722 -0.626 1.00 0.00 C ATOM 677 C ALA A 47 -2.027 -14.793 -0.861 1.00 0.00 C ATOM 678 O ALA A 47 -1.501 -15.828 -1.270 1.00 0.00 O ATOM 679 CB ALA A 47 -4.238 -14.200 -1.869 1.00 0.00 C ATOM 0 H ALA A 47 -4.473 -13.104 0.319 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.889 -15.730 -0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.996 -14.837 -2.719 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.316 -14.207 -1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.909 -13.181 -2.074 1.00 0.00 H new ATOM 685 N LEU A 48 -1.339 -13.687 -0.601 1.00 0.00 N ATOM 686 CA LEU A 48 0.107 -13.624 -0.785 1.00 0.00 C ATOM 687 C LEU A 48 0.813 -14.646 0.100 1.00 0.00 C ATOM 688 O LEU A 48 1.920 -15.088 -0.205 1.00 0.00 O ATOM 689 CB LEU A 48 0.621 -12.217 -0.471 1.00 0.00 C ATOM 690 CG LEU A 48 0.051 -11.108 -1.355 1.00 0.00 C ATOM 691 CD1 LEU A 48 0.840 -9.821 -1.173 1.00 0.00 C ATOM 692 CD2 LEU A 48 0.055 -11.536 -2.815 1.00 0.00 C ATOM 0 H LEU A 48 -1.759 -12.821 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 48 0.327 -13.859 -1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.391 -11.986 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.707 -12.214 -0.565 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.980 -10.923 -1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.419 -9.043 -1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.786 -9.505 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.881 -9.991 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.354 -10.735 -3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.077 -11.749 -3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.555 -12.432 -2.933 1.00 0.00 H new ATOM 704 N GLY A 49 0.164 -15.016 1.200 1.00 0.00 N ATOM 705 CA GLY A 49 0.744 -15.983 2.114 1.00 0.00 C ATOM 706 C GLY A 49 0.852 -15.451 3.529 1.00 0.00 C ATOM 707 O GLY A 49 0.837 -16.219 4.491 1.00 0.00 O ATOM 0 H GLY A 49 -0.753 -14.663 1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.136 -16.888 2.115 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.735 -16.265 1.759 1.00 0.00 H new ATOM 711 N ILE A 50 0.964 -14.133 3.657 1.00 0.00 N ATOM 712 CA ILE A 50 1.076 -13.500 4.965 1.00 0.00 C ATOM 713 C ILE A 50 -0.239 -13.587 5.733 1.00 0.00 C ATOM 714 O ILE A 50 -1.182 -12.845 5.458 1.00 0.00 O ATOM 715 CB ILE A 50 1.487 -12.021 4.841 1.00 0.00 C ATOM 716 CG1 ILE A 50 2.604 -11.864 3.807 1.00 0.00 C ATOM 717 CG2 ILE A 50 1.929 -11.478 6.192 1.00 0.00 C ATOM 718 CD1 ILE A 50 2.098 -11.616 2.403 1.00 0.00 C ATOM 0 H ILE A 50 0.980 -13.483 2.871 1.00 0.00 H new ATOM 0 HA ILE A 50 1.850 -14.040 5.511 1.00 0.00 H new ATOM 0 HB ILE A 50 0.623 -11.447 4.506 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.249 -11.037 4.103 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.219 -12.764 3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.216 -10.432 6.087 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.107 -11.559 6.903 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.781 -12.054 6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.944 -11.515 1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.477 -12.454 2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.507 -10.700 2.386 1.00 0.00 H new ATOM 730 N THR A 51 -0.294 -14.499 6.699 1.00 0.00 N ATOM 731 CA THR A 51 -1.492 -14.684 7.507 1.00 0.00 C ATOM 732 C THR A 51 -1.214 -14.390 8.977 1.00 0.00 C ATOM 733 O THR A 51 -2.109 -13.985 9.719 1.00 0.00 O ATOM 734 CB THR A 51 -2.042 -16.117 7.378 1.00 0.00 C ATOM 735 OG1 THR A 51 -1.123 -17.049 7.959 1.00 0.00 O ATOM 736 CG2 THR A 51 -2.280 -16.476 5.919 1.00 0.00 C ATOM 0 H THR A 51 0.478 -15.121 6.940 1.00 0.00 H new ATOM 0 HA THR A 51 -2.237 -13.982 7.132 1.00 0.00 H new ATOM 0 HB THR A 51 -2.993 -16.166 7.908 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.481 -17.957 7.874 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.668 -17.492 5.853 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.002 -15.783 5.487 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.341 -16.410 5.370 1.00 0.00 H new ATOM 744 N LEU A 52 0.031 -14.595 9.392 1.00 0.00 N ATOM 745 CA LEU A 52 0.427 -14.350 10.774 1.00 0.00 C ATOM 746 C LEU A 52 -0.024 -12.968 11.233 1.00 0.00 C ATOM 747 O LEU A 52 0.432 -11.950 10.713 1.00 0.00 O ATOM 748 CB LEU A 52 1.945 -14.479 10.922 1.00 0.00 C ATOM 749 CG LEU A 52 2.471 -15.914 10.964 1.00 0.00 C ATOM 750 CD1 LEU A 52 2.793 -16.407 9.562 1.00 0.00 C ATOM 751 CD2 LEU A 52 3.699 -16.005 11.858 1.00 0.00 C ATOM 0 H LEU A 52 0.784 -14.930 8.791 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.058 -15.097 11.402 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.421 -13.958 10.092 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.250 -13.969 11.836 1.00 0.00 H new ATOM 0 HG LEU A 52 1.693 -16.553 11.381 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.166 -17.430 9.613 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.891 -16.379 8.951 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.553 -15.765 9.116 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.060 -17.033 11.876 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.481 -15.353 11.470 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.437 -15.694 12.869 1.00 0.00 H new ATOM 763 N MET A 53 -0.924 -12.940 12.211 1.00 0.00 N ATOM 764 CA MET A 53 -1.437 -11.682 12.741 1.00 0.00 C ATOM 765 C MET A 53 -0.308 -10.678 12.948 1.00 0.00 C ATOM 766 O MET A 53 -0.404 -9.526 12.527 1.00 0.00 O ATOM 767 CB MET A 53 -2.170 -11.923 14.063 1.00 0.00 C ATOM 768 CG MET A 53 -3.521 -12.598 13.894 1.00 0.00 C ATOM 769 SD MET A 53 -4.654 -11.640 12.870 1.00 0.00 S ATOM 770 CE MET A 53 -4.552 -12.536 11.323 1.00 0.00 C ATOM 0 H MET A 53 -1.313 -13.774 12.652 1.00 0.00 H new ATOM 0 HA MET A 53 -2.137 -11.269 12.015 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.544 -12.538 14.709 1.00 0.00 H new ATOM 0 HB3 MET A 53 -2.311 -10.969 14.570 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.378 -13.582 13.447 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.969 -12.755 14.875 1.00 0.00 H new ATOM 0 HE1 MET A 53 -5.443 -12.336 10.727 1.00 0.00 H new ATOM 0 HE2 MET A 53 -3.668 -12.213 10.773 1.00 0.00 H new ATOM 0 HE3 MET A 53 -4.483 -13.605 11.525 1.00 0.00 H new ATOM 780 N GLY A 54 0.763 -11.124 13.598 1.00 0.00 N ATOM 781 CA GLY A 54 1.895 -10.251 13.849 1.00 0.00 C ATOM 782 C GLY A 54 2.393 -9.571 12.589 1.00 0.00 C ATOM 783 O GLY A 54 2.901 -8.451 12.639 1.00 0.00 O ATOM 0 H GLY A 54 0.867 -12.074 13.955 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.611 -9.493 14.579 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.706 -10.830 14.290 1.00 0.00 H new ATOM 787 N HIS A 55 2.249 -10.250 11.456 1.00 0.00 N ATOM 788 CA HIS A 55 2.690 -9.705 10.177 1.00 0.00 C ATOM 789 C HIS A 55 1.526 -9.060 9.431 1.00 0.00 C ATOM 790 O HIS A 55 1.535 -7.858 9.170 1.00 0.00 O ATOM 791 CB HIS A 55 3.315 -10.805 9.318 1.00 0.00 C ATOM 792 CG HIS A 55 4.363 -11.601 10.033 1.00 0.00 C ATOM 793 ND1 HIS A 55 5.041 -12.650 9.448 1.00 0.00 N ATOM 794 CD2 HIS A 55 4.851 -11.494 11.291 1.00 0.00 C ATOM 795 CE1 HIS A 55 5.898 -13.156 10.316 1.00 0.00 C ATOM 796 NE2 HIS A 55 5.803 -12.472 11.443 1.00 0.00 N ATOM 0 H HIS A 55 1.831 -11.178 11.397 1.00 0.00 H new ATOM 0 HA HIS A 55 3.440 -8.939 10.376 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.529 -11.479 8.977 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.756 -10.354 8.429 1.00 0.00 H new ATOM 0 HD1 HIS A 55 4.902 -12.983 8.494 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.548 -10.774 12.036 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.563 -13.987 10.136 1.00 0.00 H new ATOM 805 N GLN A 56 0.527 -9.868 9.091 1.00 0.00 N ATOM 806 CA GLN A 56 -0.643 -9.375 8.374 1.00 0.00 C ATOM 807 C GLN A 56 -1.021 -7.975 8.846 1.00 0.00 C ATOM 808 O GLN A 56 -1.262 -7.079 8.036 1.00 0.00 O ATOM 809 CB GLN A 56 -1.825 -10.328 8.567 1.00 0.00 C ATOM 810 CG GLN A 56 -1.926 -11.397 7.492 1.00 0.00 C ATOM 811 CD GLN A 56 -3.330 -11.950 7.350 1.00 0.00 C ATOM 812 OE1 GLN A 56 -4.138 -11.872 8.276 1.00 0.00 O ATOM 813 NE2 GLN A 56 -3.630 -12.513 6.185 1.00 0.00 N ATOM 0 H GLN A 56 0.504 -10.866 9.300 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.394 -9.326 7.314 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.737 -10.811 9.540 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.749 -9.750 8.581 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.606 -10.979 6.538 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.241 -12.211 7.729 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.930 -12.556 5.444 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.560 -12.902 6.031 1.00 0.00 H new ATOM 822 N LYS A 57 -1.071 -7.793 10.161 1.00 0.00 N ATOM 823 CA LYS A 57 -1.419 -6.501 10.742 1.00 0.00 C ATOM 824 C LYS A 57 -0.467 -5.413 10.258 1.00 0.00 C ATOM 825 O LYS A 57 -0.891 -4.309 9.917 1.00 0.00 O ATOM 826 CB LYS A 57 -1.384 -6.581 12.270 1.00 0.00 C ATOM 827 CG LYS A 57 -2.381 -7.570 12.850 1.00 0.00 C ATOM 828 CD LYS A 57 -3.772 -6.966 12.950 1.00 0.00 C ATOM 829 CE LYS A 57 -4.800 -8.003 13.376 1.00 0.00 C ATOM 830 NZ LYS A 57 -4.811 -8.199 14.852 1.00 0.00 N ATOM 0 H LYS A 57 -0.875 -8.524 10.845 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.428 -6.245 10.420 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.380 -6.861 12.588 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.584 -5.592 12.682 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.415 -8.462 12.225 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.048 -7.886 13.839 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.763 -6.145 13.667 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.057 -6.544 11.986 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.790 -7.691 13.044 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.584 -8.952 12.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.525 -8.913 15.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.874 -8.521 15.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.043 -7.300 15.320 1.00 0.00 H new ATOM 844 N LYS A 58 0.823 -5.731 10.228 1.00 0.00 N ATOM 845 CA LYS A 58 1.836 -4.782 9.782 1.00 0.00 C ATOM 846 C LYS A 58 1.585 -4.356 8.339 1.00 0.00 C ATOM 847 O LYS A 58 1.306 -3.189 8.066 1.00 0.00 O ATOM 848 CB LYS A 58 3.232 -5.396 9.909 1.00 0.00 C ATOM 849 CG LYS A 58 3.906 -5.105 11.238 1.00 0.00 C ATOM 850 CD LYS A 58 3.037 -5.530 12.410 1.00 0.00 C ATOM 851 CE LYS A 58 2.124 -4.402 12.865 1.00 0.00 C ATOM 852 NZ LYS A 58 1.771 -4.521 14.307 1.00 0.00 N ATOM 0 H LYS A 58 1.192 -6.640 10.508 1.00 0.00 H new ATOM 0 HA LYS A 58 1.776 -3.899 10.418 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.158 -6.476 9.777 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.860 -5.019 9.102 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.861 -5.628 11.284 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.122 -4.039 11.312 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.436 -6.393 12.124 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.671 -5.843 13.239 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.614 -3.445 12.689 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.213 -4.408 12.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.148 -3.734 14.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.280 -5.423 14.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.638 -4.489 14.880 1.00 0.00 H new ATOM 866 N ILE A 59 1.686 -5.311 7.420 1.00 0.00 N ATOM 867 CA ILE A 59 1.468 -5.034 6.005 1.00 0.00 C ATOM 868 C ILE A 59 0.149 -4.300 5.786 1.00 0.00 C ATOM 869 O ILE A 59 0.131 -3.159 5.325 1.00 0.00 O ATOM 870 CB ILE A 59 1.465 -6.330 5.172 1.00 0.00 C ATOM 871 CG1 ILE A 59 2.788 -7.078 5.349 1.00 0.00 C ATOM 872 CG2 ILE A 59 1.221 -6.015 3.704 1.00 0.00 C ATOM 873 CD1 ILE A 59 2.761 -8.490 4.807 1.00 0.00 C ATOM 0 H ILE A 59 1.917 -6.282 7.630 1.00 0.00 H new ATOM 0 HA ILE A 59 2.293 -4.402 5.676 1.00 0.00 H new ATOM 0 HB ILE A 59 0.657 -6.970 5.525 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.581 -6.521 4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.039 -7.109 6.409 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.222 -6.941 3.128 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.256 -5.520 3.594 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.010 -5.359 3.337 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.732 -8.960 4.967 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.991 -9.063 5.323 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.541 -8.466 3.740 1.00 0.00 H new ATOM 885 N LEU A 60 -0.953 -4.962 6.121 1.00 0.00 N ATOM 886 CA LEU A 60 -2.277 -4.371 5.962 1.00 0.00 C ATOM 887 C LEU A 60 -2.373 -3.043 6.705 1.00 0.00 C ATOM 888 O LEU A 60 -2.630 -2.000 6.104 1.00 0.00 O ATOM 889 CB LEU A 60 -3.352 -5.334 6.473 1.00 0.00 C ATOM 890 CG LEU A 60 -3.843 -6.357 5.449 1.00 0.00 C ATOM 891 CD1 LEU A 60 -4.696 -7.421 6.123 1.00 0.00 C ATOM 892 CD2 LEU A 60 -4.626 -5.668 4.342 1.00 0.00 C ATOM 0 H LEU A 60 -0.956 -5.907 6.504 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.440 -4.185 4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.958 -5.868 7.338 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.205 -4.751 6.820 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.974 -6.844 5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.036 -8.140 5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.105 -7.935 6.880 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.559 -6.951 6.594 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.968 -6.411 3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.487 -5.155 4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.985 -4.944 3.839 1.00 0.00 H new ATOM 904 N GLY A 61 -2.166 -3.089 8.018 1.00 0.00 N ATOM 905 CA GLY A 61 -2.233 -1.883 8.822 1.00 0.00 C ATOM 906 C GLY A 61 -1.365 -0.769 8.272 1.00 0.00 C ATOM 907 O GLY A 61 -1.698 0.409 8.402 1.00 0.00 O ATOM 0 H GLY A 61 -1.953 -3.940 8.539 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.267 -1.542 8.874 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.922 -2.112 9.841 1.00 0.00 H new ATOM 911 N SER A 62 -0.247 -1.142 7.657 1.00 0.00 N ATOM 912 CA SER A 62 0.675 -0.165 7.089 1.00 0.00 C ATOM 913 C SER A 62 0.087 0.471 5.833 1.00 0.00 C ATOM 914 O SER A 62 0.316 1.649 5.555 1.00 0.00 O ATOM 915 CB SER A 62 2.014 -0.827 6.760 1.00 0.00 C ATOM 916 OG SER A 62 2.967 0.133 6.337 1.00 0.00 O ATOM 0 H SER A 62 0.042 -2.113 7.539 1.00 0.00 H new ATOM 0 HA SER A 62 0.837 0.618 7.830 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.388 -1.353 7.638 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.872 -1.573 5.978 1.00 0.00 H new ATOM 0 HG SER A 62 3.345 0.585 7.120 1.00 0.00 H new ATOM 922 N ILE A 63 -0.671 -0.316 5.078 1.00 0.00 N ATOM 923 CA ILE A 63 -1.293 0.169 3.852 1.00 0.00 C ATOM 924 C ILE A 63 -2.545 0.985 4.157 1.00 0.00 C ATOM 925 O ILE A 63 -2.669 2.132 3.728 1.00 0.00 O ATOM 926 CB ILE A 63 -1.667 -0.993 2.913 1.00 0.00 C ATOM 927 CG1 ILE A 63 -0.419 -1.795 2.537 1.00 0.00 C ATOM 928 CG2 ILE A 63 -2.358 -0.463 1.665 1.00 0.00 C ATOM 929 CD1 ILE A 63 -0.728 -3.166 1.978 1.00 0.00 C ATOM 0 H ILE A 63 -0.870 -1.293 5.294 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.560 0.805 3.356 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.358 -1.655 3.435 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.156 -1.233 1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.212 -1.905 3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.616 -1.296 1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.265 0.070 1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.688 0.217 1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.203 -3.678 1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.277 -3.746 2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.333 -3.064 1.077 1.00 0.00 H new ATOM 941 N GLN A 64 -3.469 0.385 4.901 1.00 0.00 N ATOM 942 CA GLN A 64 -4.711 1.057 5.263 1.00 0.00 C ATOM 943 C GLN A 64 -4.462 2.528 5.579 1.00 0.00 C ATOM 944 O GLN A 64 -5.303 3.385 5.306 1.00 0.00 O ATOM 945 CB GLN A 64 -5.357 0.367 6.466 1.00 0.00 C ATOM 946 CG GLN A 64 -4.907 0.931 7.804 1.00 0.00 C ATOM 947 CD GLN A 64 -5.607 0.275 8.978 1.00 0.00 C ATOM 948 OE1 GLN A 64 -6.381 -0.667 8.807 1.00 0.00 O ATOM 949 NE2 GLN A 64 -5.338 0.771 10.180 1.00 0.00 N ATOM 0 H GLN A 64 -3.381 -0.564 5.264 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.389 0.997 4.411 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.440 0.458 6.388 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.124 -0.697 6.433 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.830 0.797 7.907 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.098 2.004 7.825 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.690 1.553 10.276 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.779 0.370 11.008 1.00 0.00 H new ATOM 958 N THR A 65 -3.300 2.816 6.158 1.00 0.00 N ATOM 959 CA THR A 65 -2.940 4.183 6.513 1.00 0.00 C ATOM 960 C THR A 65 -2.120 4.840 5.409 1.00 0.00 C ATOM 961 O THR A 65 -2.135 6.061 5.256 1.00 0.00 O ATOM 962 CB THR A 65 -2.140 4.229 7.828 1.00 0.00 C ATOM 963 OG1 THR A 65 -1.969 5.587 8.250 1.00 0.00 O ATOM 964 CG2 THR A 65 -0.779 3.571 7.658 1.00 0.00 C ATOM 0 H THR A 65 -2.592 2.120 6.391 1.00 0.00 H new ATOM 0 HA THR A 65 -3.873 4.732 6.644 1.00 0.00 H new ATOM 0 HB THR A 65 -2.699 3.680 8.586 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.461 5.608 9.088 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.233 3.616 8.600 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.912 2.530 7.365 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.215 4.095 6.886 1.00 0.00 H new ATOM 972 N MET A 66 -1.407 4.022 4.642 1.00 0.00 N ATOM 973 CA MET A 66 -0.582 4.526 3.550 1.00 0.00 C ATOM 974 C MET A 66 -1.438 5.226 2.500 1.00 0.00 C ATOM 975 O MET A 66 -1.004 6.196 1.878 1.00 0.00 O ATOM 976 CB MET A 66 0.202 3.381 2.905 1.00 0.00 C ATOM 977 CG MET A 66 1.605 3.774 2.471 1.00 0.00 C ATOM 978 SD MET A 66 2.168 2.853 1.026 1.00 0.00 S ATOM 979 CE MET A 66 1.790 1.175 1.525 1.00 0.00 C ATOM 0 H MET A 66 -1.384 3.009 4.756 1.00 0.00 H new ATOM 0 HA MET A 66 0.120 5.251 3.963 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.267 2.553 3.611 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.349 3.017 2.038 1.00 0.00 H new ATOM 0 HG2 MET A 66 1.627 4.841 2.248 1.00 0.00 H new ATOM 0 HG3 MET A 66 2.297 3.606 3.296 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.379 0.477 0.930 1.00 0.00 H new ATOM 0 HE2 MET A 66 2.031 1.046 2.580 1.00 0.00 H new ATOM 0 HE3 MET A 66 0.729 0.979 1.369 1.00 0.00 H new