USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 475 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 Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ -126:sc= -0.348 (180deg=-1.76!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.23) USER MOD Single : A 79 MET CE :methyl 141:sc= 0 (180deg=-0.0367) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.418 USER MOD Single : A 84 GLN : amide:sc= -0.0697 K(o=-0.07,f=-2.2!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.347 K(o=-0.35,f=-3.1!) USER MOD Single : A 100 ASN : amide:sc= -1.87! C(o=-1.9!,f=-13!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -1.22! K(o=-1.2!,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 147:sc= -0.0577 (180deg=-0.602) USER MOD Single : A 117 SER OG : rot 76:sc= 0.49 USER MOD Single : A 119 ASN : amide:sc= -0.192 K(o=-0.19,f=-2.3!) USER MOD Single : A 120 SER OG : rot 82:sc= 0.272 USER MOD Single : A 121 CYS SG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.00133 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 -16.095 -12.930 7.511 1.00 0.00 N ATOM 2 CA GLY A -4 -16.943 -12.391 6.410 1.00 0.00 C ATOM 3 C GLY A -4 -16.137 -11.389 5.588 1.00 0.00 C ATOM 4 O GLY A -4 -15.715 -11.687 4.470 1.00 0.00 O ATOM 0 H1 GLY A -4 -16.093 -13.969 7.470 1.00 0.00 H new ATOM 0 H2 GLY A -4 -15.122 -12.577 7.405 1.00 0.00 H new ATOM 0 H3 GLY A -4 -16.477 -12.620 8.427 1.00 0.00 H new ATOM 0 HA2 GLY A -4 -17.290 -13.204 5.773 1.00 0.00 H new ATOM 0 HA3 GLY A -4 -17.829 -11.909 6.822 1.00 0.00 H new ATOM 10 N PRO A -3 -15.919 -10.217 6.121 1.00 0.00 N ATOM 11 CA PRO A -3 -15.145 -9.143 5.424 1.00 0.00 C ATOM 12 C PRO A -3 -13.656 -9.478 5.337 1.00 0.00 C ATOM 13 O PRO A -3 -13.125 -10.201 6.180 1.00 0.00 O ATOM 14 CB PRO A -3 -15.395 -7.903 6.298 1.00 0.00 C ATOM 15 CG PRO A -3 -15.659 -8.451 7.664 1.00 0.00 C ATOM 16 CD PRO A -3 -16.386 -9.780 7.448 1.00 0.00 C ATOM 0 HA PRO A -3 -15.457 -9.005 4.389 1.00 0.00 H new ATOM 0 HB2 PRO A -3 -14.532 -7.237 6.298 1.00 0.00 H new ATOM 0 HB3 PRO A -3 -16.243 -7.325 5.932 1.00 0.00 H new ATOM 0 HG2 PRO A -3 -14.729 -8.599 8.212 1.00 0.00 H new ATOM 0 HG3 PRO A -3 -16.268 -7.763 8.250 1.00 0.00 H new ATOM 0 HD2 PRO A -3 -16.134 -10.506 8.221 1.00 0.00 H new ATOM 0 HD3 PRO A -3 -17.468 -9.654 7.471 1.00 0.00 H new ATOM 24 N LEU A -2 -12.990 -8.948 4.314 1.00 0.00 N ATOM 25 CA LEU A -2 -11.562 -9.195 4.130 1.00 0.00 C ATOM 26 C LEU A -2 -10.923 -8.069 3.320 1.00 0.00 C ATOM 27 O LEU A -2 -10.095 -7.316 3.832 1.00 0.00 O ATOM 28 CB LEU A -2 -11.352 -10.529 3.409 1.00 0.00 C ATOM 29 CG LEU A -2 -9.859 -10.886 3.389 1.00 0.00 C ATOM 30 CD1 LEU A -2 -9.342 -11.146 4.821 1.00 0.00 C ATOM 31 CD2 LEU A -2 -9.658 -12.134 2.522 1.00 0.00 C ATOM 0 H LEU A -2 -13.412 -8.349 3.604 1.00 0.00 H new ATOM 0 HA LEU A -2 -11.089 -9.234 5.111 1.00 0.00 H new ATOM 0 HB2 LEU A -2 -11.916 -11.316 3.911 1.00 0.00 H new ATOM 0 HB3 LEU A -2 -11.733 -10.465 2.390 1.00 0.00 H new ATOM 0 HG LEU A -2 -9.295 -10.051 2.972 1.00 0.00 H new ATOM 0 HD11 LEU A -2 -8.282 -11.397 4.785 1.00 0.00 H new ATOM 0 HD12 LEU A -2 -9.482 -10.251 5.427 1.00 0.00 H new ATOM 0 HD13 LEU A -2 -9.896 -11.974 5.263 1.00 0.00 H new ATOM 0 HD21 LEU A -2 -8.600 -12.396 2.501 1.00 0.00 H new ATOM 0 HD22 LEU A -2 -10.229 -12.963 2.940 1.00 0.00 H new ATOM 0 HD23 LEU A -2 -10.002 -11.931 1.508 1.00 0.00 H new ATOM 43 N GLY A -1 -11.313 -7.959 2.054 1.00 0.00 N ATOM 44 CA GLY A -1 -10.768 -6.919 1.189 1.00 0.00 C ATOM 45 C GLY A -1 -9.317 -7.208 0.809 1.00 0.00 C ATOM 46 O GLY A -1 -8.524 -6.285 0.624 1.00 0.00 O ATOM 0 H GLY A -1 -11.997 -8.570 1.608 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -11.373 -6.842 0.286 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -10.827 -5.956 1.695 1.00 0.00 H new ATOM 50 N SER A 0 -8.971 -8.489 0.695 1.00 0.00 N ATOM 51 CA SER A 0 -7.604 -8.864 0.337 1.00 0.00 C ATOM 52 C SER A 0 -7.285 -8.430 -1.089 1.00 0.00 C ATOM 53 O SER A 0 -8.182 -8.260 -1.914 1.00 0.00 O ATOM 54 CB SER A 0 -7.419 -10.379 0.453 1.00 0.00 C ATOM 55 OG SER A 0 -8.208 -11.027 -0.537 1.00 0.00 O ATOM 0 H SER A 0 -9.606 -9.273 0.842 1.00 0.00 H new ATOM 0 HA SER A 0 -6.926 -8.361 1.026 1.00 0.00 H new ATOM 0 HB2 SER A 0 -6.368 -10.639 0.325 1.00 0.00 H new ATOM 0 HB3 SER A 0 -7.712 -10.718 1.447 1.00 0.00 H new ATOM 0 HG SER A 0 -8.090 -11.997 -0.466 1.00 0.00 H new ATOM 61 N ARG A 74 -5.998 -8.258 -1.366 1.00 0.00 N ATOM 62 CA ARG A 74 -5.559 -7.846 -2.691 1.00 0.00 C ATOM 63 C ARG A 74 -5.633 -9.009 -3.675 1.00 0.00 C ATOM 64 O ARG A 74 -5.436 -10.167 -3.303 1.00 0.00 O ATOM 65 CB ARG A 74 -4.130 -7.306 -2.616 1.00 0.00 C ATOM 66 CG ARG A 74 -3.192 -8.412 -2.134 1.00 0.00 C ATOM 67 CD ARG A 74 -1.812 -7.820 -1.848 1.00 0.00 C ATOM 68 NE ARG A 74 -0.916 -8.853 -1.335 1.00 0.00 N ATOM 69 CZ ARG A 74 -0.247 -9.657 -2.153 1.00 0.00 C ATOM 70 NH1 ARG A 74 -0.375 -9.526 -3.446 1.00 0.00 N ATOM 71 NH2 ARG A 74 0.540 -10.575 -1.665 1.00 0.00 N ATOM 0 H ARG A 74 -5.244 -8.397 -0.693 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.223 -7.059 -3.048 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.814 -6.947 -3.595 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.086 -6.455 -1.936 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.594 -8.878 -1.234 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.115 -9.193 -2.890 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.397 -7.389 -2.759 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.899 -7.011 -1.123 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.802 -8.959 -0.327 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.989 -8.806 -3.827 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.139 -10.144 -4.075 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.642 -10.675 -0.655 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.054 -11.193 -2.293 1.00 0.00 H new ATOM 85 N LYS A 75 -5.921 -8.688 -4.930 1.00 0.00 N ATOM 86 CA LYS A 75 -6.027 -9.703 -5.969 1.00 0.00 C ATOM 87 C LYS A 75 -4.638 -10.144 -6.420 1.00 0.00 C ATOM 88 O LYS A 75 -3.673 -9.385 -6.317 1.00 0.00 O ATOM 89 CB LYS A 75 -6.811 -9.144 -7.162 1.00 0.00 C ATOM 90 CG LYS A 75 -7.971 -8.267 -6.669 1.00 0.00 C ATOM 91 CD LYS A 75 -8.891 -9.041 -5.706 1.00 0.00 C ATOM 92 CE LYS A 75 -9.444 -10.296 -6.389 1.00 0.00 C ATOM 93 NZ LYS A 75 -10.651 -10.762 -5.653 1.00 0.00 N ATOM 0 H LYS A 75 -6.085 -7.734 -5.252 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.555 -10.567 -5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.149 -8.559 -7.800 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.197 -9.963 -7.769 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.574 -7.385 -6.166 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.550 -7.913 -7.522 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.337 -9.321 -4.810 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.713 -8.401 -5.386 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.698 -10.078 -7.426 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.687 -11.080 -6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.030 -11.614 -6.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.394 -10.984 -4.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.373 -10.014 -5.661 1.00 0.00 H new ATOM 107 N ILE A 76 -4.538 -11.372 -6.915 1.00 0.00 N ATOM 108 CA ILE A 76 -3.256 -11.890 -7.370 1.00 0.00 C ATOM 109 C ILE A 76 -2.894 -11.285 -8.723 1.00 0.00 C ATOM 110 O ILE A 76 -3.666 -11.364 -9.678 1.00 0.00 O ATOM 111 CB ILE A 76 -3.327 -13.415 -7.496 1.00 0.00 C ATOM 112 CG1 ILE A 76 -3.911 -14.010 -6.207 1.00 0.00 C ATOM 113 CG2 ILE A 76 -1.924 -13.979 -7.742 1.00 0.00 C ATOM 114 CD1 ILE A 76 -3.124 -13.522 -4.983 1.00 0.00 C ATOM 0 H ILE A 76 -5.320 -12.020 -7.011 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.491 -11.620 -6.642 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.969 -13.680 -8.336 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -4.959 -13.725 -6.110 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.880 -15.098 -6.256 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.978 -15.064 -7.831 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.519 -13.559 -8.663 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.274 -13.716 -6.907 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.553 -13.954 -4.079 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.082 -13.830 -5.074 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.177 -12.435 -4.926 1.00 0.00 H new ATOM 126 N ALA A 77 -1.713 -10.680 -8.794 1.00 0.00 N ATOM 127 CA ALA A 77 -1.249 -10.057 -10.030 1.00 0.00 C ATOM 128 C ALA A 77 -0.659 -11.102 -10.970 1.00 0.00 C ATOM 129 O ALA A 77 -0.288 -12.196 -10.545 1.00 0.00 O ATOM 130 CB ALA A 77 -0.196 -8.996 -9.713 1.00 0.00 C ATOM 0 H ALA A 77 -1.061 -10.607 -8.013 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.101 -9.587 -10.522 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.146 -8.535 -10.639 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.631 -8.233 -9.067 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.649 -9.462 -9.206 1.00 0.00 H new ATOM 136 N GLN A 78 -0.573 -10.755 -12.250 1.00 0.00 N ATOM 137 CA GLN A 78 -0.025 -11.671 -13.241 1.00 0.00 C ATOM 138 C GLN A 78 1.465 -11.881 -12.998 1.00 0.00 C ATOM 139 O GLN A 78 2.168 -10.970 -12.561 1.00 0.00 O ATOM 140 CB GLN A 78 -0.245 -11.107 -14.648 1.00 0.00 C ATOM 141 CG GLN A 78 -1.745 -10.972 -14.930 1.00 0.00 C ATOM 142 CD GLN A 78 -2.417 -12.343 -14.894 1.00 0.00 C ATOM 143 OE1 GLN A 78 -1.989 -13.263 -15.591 1.00 0.00 O ATOM 144 NE2 GLN A 78 -3.453 -12.534 -14.124 1.00 0.00 N ATOM 0 H GLN A 78 -0.873 -9.854 -12.622 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.536 -12.630 -13.153 1.00 0.00 H new ATOM 0 HB2 GLN A 78 0.239 -10.135 -14.739 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.215 -11.763 -15.388 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.203 -10.315 -14.190 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.898 -10.510 -15.905 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.807 -11.771 -13.547 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.909 -13.446 -14.099 1.00 0.00 H new ATOM 153 N MET A 79 1.936 -13.094 -13.273 1.00 0.00 N ATOM 154 CA MET A 79 3.342 -13.427 -13.071 1.00 0.00 C ATOM 155 C MET A 79 4.174 -12.975 -14.270 1.00 0.00 C ATOM 156 O MET A 79 3.733 -13.072 -15.414 1.00 0.00 O ATOM 157 CB MET A 79 3.486 -14.939 -12.886 1.00 0.00 C ATOM 158 CG MET A 79 2.585 -15.397 -11.732 1.00 0.00 C ATOM 159 SD MET A 79 3.098 -14.617 -10.176 1.00 0.00 S ATOM 160 CE MET A 79 4.428 -15.766 -9.739 1.00 0.00 C ATOM 0 H MET A 79 1.367 -13.860 -13.635 1.00 0.00 H new ATOM 0 HA MET A 79 3.703 -12.912 -12.181 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.211 -15.457 -13.805 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.525 -15.194 -12.675 1.00 0.00 H new ATOM 0 HG2 MET A 79 1.548 -15.141 -11.949 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.632 -16.482 -11.635 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.262 -15.211 -9.310 1.00 0.00 H new ATOM 0 HE2 MET A 79 4.060 -16.488 -9.010 1.00 0.00 H new ATOM 0 HE3 MET A 79 4.763 -16.292 -10.633 1.00 0.00 H new ATOM 170 N THR A 80 5.378 -12.482 -13.999 1.00 0.00 N ATOM 171 CA THR A 80 6.261 -12.019 -15.066 1.00 0.00 C ATOM 172 C THR A 80 6.879 -13.204 -15.802 1.00 0.00 C ATOM 173 O THR A 80 6.827 -14.340 -15.330 1.00 0.00 O ATOM 174 CB THR A 80 7.370 -11.139 -14.485 1.00 0.00 C ATOM 175 OG1 THR A 80 8.160 -11.906 -13.588 1.00 0.00 O ATOM 176 CG2 THR A 80 6.751 -9.954 -13.739 1.00 0.00 C ATOM 0 H THR A 80 5.763 -12.393 -13.059 1.00 0.00 H new ATOM 0 HA THR A 80 5.670 -11.436 -15.772 1.00 0.00 H new ATOM 0 HB THR A 80 7.997 -10.765 -15.294 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.872 -11.344 -13.216 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.544 -9.330 -13.327 1.00 0.00 H new ATOM 0 HG22 THR A 80 6.147 -9.365 -14.429 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.121 -10.323 -12.929 1.00 0.00 H new ATOM 184 N GLU A 81 7.461 -12.932 -16.965 1.00 0.00 N ATOM 185 CA GLU A 81 8.083 -13.983 -17.763 1.00 0.00 C ATOM 186 C GLU A 81 9.238 -14.626 -17.001 1.00 0.00 C ATOM 187 O GLU A 81 9.430 -15.842 -17.052 1.00 0.00 O ATOM 188 CB GLU A 81 8.602 -13.400 -19.079 1.00 0.00 C ATOM 189 CG GLU A 81 7.420 -13.030 -19.976 1.00 0.00 C ATOM 190 CD GLU A 81 7.914 -12.263 -21.198 1.00 0.00 C ATOM 191 OE1 GLU A 81 9.046 -11.809 -21.169 1.00 0.00 O ATOM 192 OE2 GLU A 81 7.155 -12.144 -22.145 1.00 0.00 O ATOM 0 H GLU A 81 7.515 -11.999 -17.374 1.00 0.00 H new ATOM 0 HA GLU A 81 7.332 -14.745 -17.972 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.213 -12.519 -18.883 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.241 -14.125 -19.583 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.895 -13.932 -20.290 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.706 -12.423 -19.419 1.00 0.00 H new ATOM 199 N GLU A 82 10.006 -13.804 -16.295 1.00 0.00 N ATOM 200 CA GLU A 82 11.139 -14.309 -15.528 1.00 0.00 C ATOM 201 C GLU A 82 10.660 -15.262 -14.435 1.00 0.00 C ATOM 202 O GLU A 82 11.277 -16.298 -14.188 1.00 0.00 O ATOM 203 CB GLU A 82 11.899 -13.138 -14.897 1.00 0.00 C ATOM 204 CG GLU A 82 12.620 -12.329 -15.986 1.00 0.00 C ATOM 205 CD GLU A 82 11.632 -11.415 -16.710 1.00 0.00 C ATOM 206 OE1 GLU A 82 10.505 -11.313 -16.258 1.00 0.00 O ATOM 207 OE2 GLU A 82 12.020 -10.834 -17.711 1.00 0.00 O ATOM 0 H GLU A 82 9.867 -12.795 -16.237 1.00 0.00 H new ATOM 0 HA GLU A 82 11.803 -14.853 -16.200 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.206 -12.495 -14.354 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.622 -13.512 -14.172 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.416 -11.734 -15.539 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.090 -13.005 -16.700 1.00 0.00 H new ATOM 214 N GLU A 83 9.550 -14.912 -13.792 1.00 0.00 N ATOM 215 CA GLU A 83 8.996 -15.754 -12.739 1.00 0.00 C ATOM 216 C GLU A 83 8.558 -17.101 -13.301 1.00 0.00 C ATOM 217 O GLU A 83 8.749 -18.137 -12.667 1.00 0.00 O ATOM 218 CB GLU A 83 7.802 -15.062 -12.080 1.00 0.00 C ATOM 219 CG GLU A 83 8.292 -13.892 -11.222 1.00 0.00 C ATOM 220 CD GLU A 83 7.099 -13.103 -10.690 1.00 0.00 C ATOM 221 OE1 GLU A 83 6.151 -12.925 -11.436 1.00 0.00 O ATOM 222 OE2 GLU A 83 7.148 -12.702 -9.538 1.00 0.00 O ATOM 0 H GLU A 83 9.022 -14.060 -13.979 1.00 0.00 H new ATOM 0 HA GLU A 83 9.773 -15.919 -11.993 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.112 -14.702 -12.843 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.253 -15.773 -11.463 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.892 -14.265 -10.392 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.936 -13.241 -11.813 1.00 0.00 H new ATOM 229 N GLN A 84 7.968 -17.083 -14.490 1.00 0.00 N ATOM 230 CA GLN A 84 7.508 -18.318 -15.115 1.00 0.00 C ATOM 231 C GLN A 84 8.684 -19.256 -15.372 1.00 0.00 C ATOM 232 O GLN A 84 8.593 -20.461 -15.142 1.00 0.00 O ATOM 233 CB GLN A 84 6.808 -18.002 -16.437 1.00 0.00 C ATOM 234 CG GLN A 84 5.476 -17.306 -16.157 1.00 0.00 C ATOM 235 CD GLN A 84 4.870 -16.793 -17.459 1.00 0.00 C ATOM 236 OE1 GLN A 84 5.598 -16.476 -18.400 1.00 0.00 O ATOM 237 NE2 GLN A 84 3.574 -16.690 -17.569 1.00 0.00 N ATOM 0 H GLN A 84 7.798 -16.238 -15.036 1.00 0.00 H new ATOM 0 HA GLN A 84 6.806 -18.808 -14.440 1.00 0.00 H new ATOM 0 HB2 GLN A 84 7.442 -17.363 -17.052 1.00 0.00 H new ATOM 0 HB3 GLN A 84 6.639 -18.920 -17.000 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.788 -18.001 -15.675 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.628 -16.477 -15.466 1.00 0.00 H new ATOM 0 HE21 GLN A 84 2.973 -16.953 -16.788 1.00 0.00 H new ATOM 0 HE22 GLN A 84 3.162 -16.346 -18.436 1.00 0.00 H new ATOM 246 N PHE A 85 9.790 -18.693 -15.840 1.00 0.00 N ATOM 247 CA PHE A 85 10.980 -19.488 -16.116 1.00 0.00 C ATOM 248 C PHE A 85 11.499 -20.144 -14.837 1.00 0.00 C ATOM 249 O PHE A 85 11.826 -21.330 -14.823 1.00 0.00 O ATOM 250 CB PHE A 85 12.072 -18.614 -16.729 1.00 0.00 C ATOM 251 CG PHE A 85 13.291 -19.460 -17.012 1.00 0.00 C ATOM 252 CD1 PHE A 85 13.318 -20.289 -18.141 1.00 0.00 C ATOM 253 CD2 PHE A 85 14.394 -19.417 -16.150 1.00 0.00 C ATOM 254 CE1 PHE A 85 14.447 -21.073 -18.407 1.00 0.00 C ATOM 255 CE2 PHE A 85 15.522 -20.203 -16.417 1.00 0.00 C ATOM 256 CZ PHE A 85 15.549 -21.029 -17.546 1.00 0.00 C ATOM 0 H PHE A 85 9.889 -17.697 -16.035 1.00 0.00 H new ATOM 0 HA PHE A 85 10.709 -20.270 -16.826 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.712 -18.155 -17.650 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.329 -17.803 -16.048 1.00 0.00 H new ATOM 0 HD1 PHE A 85 12.468 -20.323 -18.806 1.00 0.00 H new ATOM 0 HD2 PHE A 85 14.375 -18.778 -15.280 1.00 0.00 H new ATOM 0 HE1 PHE A 85 14.467 -21.712 -19.277 1.00 0.00 H new ATOM 0 HE2 PHE A 85 16.372 -20.172 -15.751 1.00 0.00 H new ATOM 0 HZ PHE A 85 16.420 -21.633 -17.753 1.00 0.00 H new ATOM 266 N ALA A 86 11.581 -19.360 -13.764 1.00 0.00 N ATOM 267 CA ALA A 86 12.074 -19.877 -12.490 1.00 0.00 C ATOM 268 C ALA A 86 11.197 -21.025 -12.001 1.00 0.00 C ATOM 269 O ALA A 86 11.697 -22.026 -11.486 1.00 0.00 O ATOM 270 CB ALA A 86 12.085 -18.761 -11.444 1.00 0.00 C ATOM 0 H ALA A 86 11.316 -18.375 -13.751 1.00 0.00 H new ATOM 0 HA ALA A 86 13.088 -20.248 -12.638 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.454 -19.154 -10.497 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.736 -17.954 -11.780 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.073 -18.379 -11.309 1.00 0.00 H new ATOM 276 N LEU A 87 9.891 -20.885 -12.179 1.00 0.00 N ATOM 277 CA LEU A 87 8.963 -21.930 -11.767 1.00 0.00 C ATOM 278 C LEU A 87 9.243 -23.208 -12.545 1.00 0.00 C ATOM 279 O LEU A 87 9.166 -24.307 -12.000 1.00 0.00 O ATOM 280 CB LEU A 87 7.518 -21.481 -12.004 1.00 0.00 C ATOM 281 CG LEU A 87 7.137 -20.367 -11.012 1.00 0.00 C ATOM 282 CD1 LEU A 87 5.784 -19.770 -11.421 1.00 0.00 C ATOM 283 CD2 LEU A 87 7.040 -20.928 -9.575 1.00 0.00 C ATOM 0 H LEU A 87 9.453 -20.067 -12.602 1.00 0.00 H new ATOM 0 HA LEU A 87 9.101 -22.122 -10.703 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.404 -21.121 -13.027 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.843 -22.328 -11.887 1.00 0.00 H new ATOM 0 HG LEU A 87 7.907 -19.596 -11.033 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.509 -18.980 -10.722 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.858 -19.355 -12.426 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.023 -20.550 -11.406 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.770 -20.126 -8.889 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.279 -21.708 -9.539 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.003 -21.347 -9.282 1.00 0.00 H new ATOM 295 N ALA A 88 9.571 -23.057 -13.826 1.00 0.00 N ATOM 296 CA ALA A 88 9.860 -24.212 -14.669 1.00 0.00 C ATOM 297 C ALA A 88 11.050 -24.993 -14.116 1.00 0.00 C ATOM 298 O ALA A 88 11.024 -26.223 -14.061 1.00 0.00 O ATOM 299 CB ALA A 88 10.174 -23.747 -16.094 1.00 0.00 C ATOM 0 H ALA A 88 9.643 -22.156 -14.298 1.00 0.00 H new ATOM 0 HA ALA A 88 8.985 -24.862 -14.680 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.389 -24.613 -16.720 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.316 -23.211 -16.499 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.041 -23.086 -16.078 1.00 0.00 H new ATOM 305 N LEU A 89 12.084 -24.277 -13.690 1.00 0.00 N ATOM 306 CA LEU A 89 13.267 -24.923 -13.125 1.00 0.00 C ATOM 307 C LEU A 89 12.933 -25.565 -11.781 1.00 0.00 C ATOM 308 O LEU A 89 13.436 -26.639 -11.451 1.00 0.00 O ATOM 309 CB LEU A 89 14.411 -23.901 -12.960 1.00 0.00 C ATOM 310 CG LEU A 89 15.226 -23.807 -14.257 1.00 0.00 C ATOM 311 CD1 LEU A 89 14.329 -23.337 -15.403 1.00 0.00 C ATOM 312 CD2 LEU A 89 16.372 -22.812 -14.067 1.00 0.00 C ATOM 0 H LEU A 89 12.130 -23.259 -13.723 1.00 0.00 H new ATOM 0 HA LEU A 89 13.595 -25.704 -13.811 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.002 -22.923 -12.707 1.00 0.00 H new ATOM 0 HB3 LEU A 89 15.059 -24.198 -12.135 1.00 0.00 H new ATOM 0 HG LEU A 89 15.630 -24.790 -14.498 1.00 0.00 H new ATOM 0 HD11 LEU A 89 14.914 -23.273 -16.320 1.00 0.00 H new ATOM 0 HD12 LEU A 89 13.514 -24.047 -15.542 1.00 0.00 H new ATOM 0 HD13 LEU A 89 13.919 -22.356 -15.165 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.952 -22.744 -14.988 1.00 0.00 H new ATOM 0 HD22 LEU A 89 15.965 -21.831 -13.822 1.00 0.00 H new ATOM 0 HD23 LEU A 89 17.017 -23.150 -13.256 1.00 0.00 H new ATOM 324 N LYS A 90 12.082 -24.901 -11.007 1.00 0.00 N ATOM 325 CA LYS A 90 11.697 -25.422 -9.702 1.00 0.00 C ATOM 326 C LYS A 90 10.971 -26.751 -9.874 1.00 0.00 C ATOM 327 O LYS A 90 11.203 -27.697 -9.124 1.00 0.00 O ATOM 328 CB LYS A 90 10.782 -24.416 -8.996 1.00 0.00 C ATOM 329 CG LYS A 90 10.465 -24.902 -7.572 1.00 0.00 C ATOM 330 CD LYS A 90 9.444 -23.968 -6.907 1.00 0.00 C ATOM 331 CE LYS A 90 10.109 -22.649 -6.493 1.00 0.00 C ATOM 332 NZ LYS A 90 9.145 -21.848 -5.687 1.00 0.00 N ATOM 0 H LYS A 90 11.650 -24.011 -11.257 1.00 0.00 H new ATOM 0 HA LYS A 90 12.590 -25.579 -9.097 1.00 0.00 H new ATOM 0 HB2 LYS A 90 11.264 -23.439 -8.957 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.858 -24.293 -9.561 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.071 -25.918 -7.606 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.379 -24.934 -6.979 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.624 -23.767 -7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.013 -24.455 -6.032 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.010 -22.848 -5.913 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.416 -22.089 -7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.590 -20.952 -5.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.298 -21.649 -6.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.873 -22.384 -4.838 1.00 0.00 H new ATOM 346 N MET A 91 10.103 -26.822 -10.873 1.00 0.00 N ATOM 347 CA MET A 91 9.359 -28.048 -11.138 1.00 0.00 C ATOM 348 C MET A 91 10.309 -29.176 -11.531 1.00 0.00 C ATOM 349 O MET A 91 10.136 -30.321 -11.110 1.00 0.00 O ATOM 350 CB MET A 91 8.345 -27.807 -12.256 1.00 0.00 C ATOM 351 CG MET A 91 7.229 -26.898 -11.737 1.00 0.00 C ATOM 352 SD MET A 91 6.078 -26.523 -13.083 1.00 0.00 S ATOM 353 CE MET A 91 4.877 -25.594 -12.097 1.00 0.00 C ATOM 0 H MET A 91 9.897 -26.052 -11.510 1.00 0.00 H new ATOM 0 HA MET A 91 8.831 -28.340 -10.230 1.00 0.00 H new ATOM 0 HB2 MET A 91 8.835 -27.347 -13.114 1.00 0.00 H new ATOM 0 HB3 MET A 91 7.929 -28.755 -12.596 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.700 -27.385 -10.918 1.00 0.00 H new ATOM 0 HG3 MET A 91 7.652 -25.976 -11.339 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.062 -25.258 -12.738 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.479 -26.235 -11.310 1.00 0.00 H new ATOM 0 HE3 MET A 91 5.366 -24.729 -11.649 1.00 0.00 H new ATOM 363 N SER A 92 11.319 -28.848 -12.330 1.00 0.00 N ATOM 364 CA SER A 92 12.293 -29.847 -12.758 1.00 0.00 C ATOM 365 C SER A 92 13.023 -30.415 -11.546 1.00 0.00 C ATOM 366 O SER A 92 13.271 -31.619 -11.461 1.00 0.00 O ATOM 367 CB SER A 92 13.305 -29.222 -13.717 1.00 0.00 C ATOM 368 OG SER A 92 14.238 -30.216 -14.124 1.00 0.00 O ATOM 0 H SER A 92 11.484 -27.909 -12.691 1.00 0.00 H new ATOM 0 HA SER A 92 11.765 -30.651 -13.271 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.793 -28.809 -14.586 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.824 -28.396 -13.230 1.00 0.00 H new ATOM 0 HG SER A 92 14.889 -29.821 -14.741 1.00 0.00 H new ATOM 374 N GLU A 93 13.360 -29.539 -10.608 1.00 0.00 N ATOM 375 CA GLU A 93 14.054 -29.956 -9.397 1.00 0.00 C ATOM 376 C GLU A 93 13.165 -30.889 -8.582 1.00 0.00 C ATOM 377 O GLU A 93 13.634 -31.880 -8.023 1.00 0.00 O ATOM 378 CB GLU A 93 14.421 -28.728 -8.561 1.00 0.00 C ATOM 379 CG GLU A 93 15.200 -29.161 -7.316 1.00 0.00 C ATOM 380 CD GLU A 93 15.631 -27.935 -6.522 1.00 0.00 C ATOM 381 OE1 GLU A 93 15.331 -26.835 -6.958 1.00 0.00 O ATOM 382 OE2 GLU A 93 16.255 -28.110 -5.489 1.00 0.00 O ATOM 0 H GLU A 93 13.165 -28.539 -10.662 1.00 0.00 H new ATOM 0 HA GLU A 93 14.965 -30.486 -9.674 1.00 0.00 H new ATOM 0 HB2 GLU A 93 15.021 -28.039 -9.155 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.518 -28.193 -8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 93 14.580 -29.808 -6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 93 16.075 -29.742 -7.608 1.00 0.00 H new ATOM 389 N GLN A 94 11.879 -30.568 -8.524 1.00 0.00 N ATOM 390 CA GLN A 94 10.929 -31.385 -7.780 1.00 0.00 C ATOM 391 C GLN A 94 10.863 -32.787 -8.373 1.00 0.00 C ATOM 392 O GLN A 94 10.782 -33.774 -7.646 1.00 0.00 O ATOM 393 CB GLN A 94 9.539 -30.747 -7.824 1.00 0.00 C ATOM 394 CG GLN A 94 9.533 -29.470 -6.983 1.00 0.00 C ATOM 395 CD GLN A 94 8.229 -28.710 -7.202 1.00 0.00 C ATOM 396 OE1 GLN A 94 7.607 -28.832 -8.257 1.00 0.00 O ATOM 397 NE2 GLN A 94 7.777 -27.921 -6.265 1.00 0.00 N ATOM 0 H GLN A 94 11.471 -29.752 -8.981 1.00 0.00 H new ATOM 0 HA GLN A 94 11.263 -31.449 -6.745 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.266 -30.517 -8.854 1.00 0.00 H new ATOM 0 HB3 GLN A 94 8.794 -31.447 -7.445 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.646 -29.719 -5.928 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.381 -28.841 -7.255 1.00 0.00 H new ATOM 0 HE21 GLN A 94 8.293 -27.820 -5.391 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.908 -27.406 -6.407 1.00 0.00 H new ATOM 406 N GLU A 95 10.897 -32.873 -9.698 1.00 0.00 N ATOM 407 CA GLU A 95 10.836 -34.170 -10.361 1.00 0.00 C ATOM 408 C GLU A 95 12.029 -35.033 -9.958 1.00 0.00 C ATOM 409 O GLU A 95 11.879 -36.223 -9.680 1.00 0.00 O ATOM 410 CB GLU A 95 10.837 -33.976 -11.879 1.00 0.00 C ATOM 411 CG GLU A 95 9.506 -33.365 -12.320 1.00 0.00 C ATOM 412 CD GLU A 95 9.567 -32.994 -13.797 1.00 0.00 C ATOM 413 OE1 GLU A 95 10.660 -32.974 -14.339 1.00 0.00 O ATOM 414 OE2 GLU A 95 8.520 -32.735 -14.367 1.00 0.00 O ATOM 0 H GLU A 95 10.965 -32.073 -10.327 1.00 0.00 H new ATOM 0 HA GLU A 95 9.918 -34.673 -10.057 1.00 0.00 H new ATOM 0 HB2 GLU A 95 11.662 -33.326 -12.172 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.992 -34.933 -12.378 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.696 -34.074 -12.148 1.00 0.00 H new ATOM 0 HG3 GLU A 95 9.287 -32.480 -11.723 1.00 0.00 H new ATOM 421 N ALA A 96 13.211 -34.426 -9.918 1.00 0.00 N ATOM 422 CA ALA A 96 14.419 -35.153 -9.531 1.00 0.00 C ATOM 423 C ALA A 96 14.334 -35.609 -8.076 1.00 0.00 C ATOM 424 O ALA A 96 14.756 -36.712 -7.729 1.00 0.00 O ATOM 425 CB ALA A 96 15.647 -34.261 -9.722 1.00 0.00 C ATOM 0 H ALA A 96 13.360 -33.443 -10.146 1.00 0.00 H new ATOM 0 HA ALA A 96 14.508 -36.034 -10.166 1.00 0.00 H new ATOM 0 HB1 ALA A 96 16.543 -34.809 -9.432 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.724 -33.967 -10.769 1.00 0.00 H new ATOM 0 HB3 ALA A 96 15.550 -33.370 -9.102 1.00 0.00 H new ATOM 431 N ARG A 97 13.783 -34.748 -7.227 1.00 0.00 N ATOM 432 CA ARG A 97 13.644 -35.055 -5.804 1.00 0.00 C ATOM 433 C ARG A 97 12.622 -36.172 -5.586 1.00 0.00 C ATOM 434 O ARG A 97 12.653 -36.861 -4.566 1.00 0.00 O ATOM 435 CB ARG A 97 13.220 -33.788 -5.046 1.00 0.00 C ATOM 436 CG ARG A 97 14.360 -32.750 -5.050 1.00 0.00 C ATOM 437 CD ARG A 97 15.399 -33.072 -3.962 1.00 0.00 C ATOM 438 NE ARG A 97 16.490 -32.099 -4.001 1.00 0.00 N ATOM 439 CZ ARG A 97 17.581 -32.305 -4.742 1.00 0.00 C ATOM 440 NH1 ARG A 97 17.696 -33.396 -5.453 1.00 0.00 N ATOM 441 NH2 ARG A 97 18.539 -31.418 -4.757 1.00 0.00 N ATOM 0 H ARG A 97 13.425 -33.832 -7.497 1.00 0.00 H new ATOM 0 HA ARG A 97 14.605 -35.400 -5.422 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.330 -33.361 -5.508 1.00 0.00 H new ATOM 0 HB3 ARG A 97 12.955 -34.042 -4.020 1.00 0.00 H new ATOM 0 HG2 ARG A 97 14.843 -32.738 -6.027 1.00 0.00 H new ATOM 0 HG3 ARG A 97 13.951 -31.754 -4.884 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.925 -33.058 -2.981 1.00 0.00 H new ATOM 0 HD3 ARG A 97 15.793 -34.077 -4.111 1.00 0.00 H new ATOM 0 HE ARG A 97 16.416 -31.244 -3.450 1.00 0.00 H new ATOM 0 HH11 ARG A 97 16.951 -34.092 -5.442 1.00 0.00 H new ATOM 0 HH12 ARG A 97 18.531 -33.551 -6.018 1.00 0.00 H new ATOM 0 HH21 ARG A 97 18.454 -30.566 -4.202 1.00 0.00 H new ATOM 0 HH22 ARG A 97 19.372 -31.577 -5.324 1.00 0.00 H new ATOM 455 N GLU A 98 11.727 -36.352 -6.551 1.00 0.00 N ATOM 456 CA GLU A 98 10.707 -37.396 -6.455 1.00 0.00 C ATOM 457 C GLU A 98 11.303 -38.770 -6.720 1.00 0.00 C ATOM 458 O GLU A 98 10.626 -39.791 -6.599 1.00 0.00 O ATOM 459 CB GLU A 98 9.567 -37.116 -7.444 1.00 0.00 C ATOM 460 CG GLU A 98 8.677 -35.991 -6.905 1.00 0.00 C ATOM 461 CD GLU A 98 7.818 -36.514 -5.759 1.00 0.00 C ATOM 462 OE1 GLU A 98 7.736 -37.722 -5.609 1.00 0.00 O ATOM 463 OE2 GLU A 98 7.256 -35.699 -5.047 1.00 0.00 O ATOM 0 H GLU A 98 11.685 -35.794 -7.404 1.00 0.00 H new ATOM 0 HA GLU A 98 10.309 -37.388 -5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.976 -36.835 -8.415 1.00 0.00 H new ATOM 0 HB3 GLU A 98 8.975 -38.019 -7.596 1.00 0.00 H new ATOM 0 HG2 GLU A 98 9.294 -35.161 -6.560 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.041 -35.605 -7.702 1.00 0.00 H new ATOM 470 N VAL A 99 12.574 -38.783 -7.069 1.00 0.00 N ATOM 471 CA VAL A 99 13.274 -40.032 -7.340 1.00 0.00 C ATOM 472 C VAL A 99 13.572 -40.757 -6.035 1.00 0.00 C ATOM 473 O VAL A 99 14.081 -40.159 -5.088 1.00 0.00 O ATOM 474 CB VAL A 99 14.583 -39.756 -8.082 1.00 0.00 C ATOM 475 CG1 VAL A 99 15.359 -41.065 -8.259 1.00 0.00 C ATOM 476 CG2 VAL A 99 14.268 -39.158 -9.454 1.00 0.00 C ATOM 0 H VAL A 99 13.147 -37.945 -7.173 1.00 0.00 H new ATOM 0 HA VAL A 99 12.636 -40.659 -7.963 1.00 0.00 H new ATOM 0 HB VAL A 99 15.188 -39.055 -7.507 1.00 0.00 H new ATOM 0 HG11 VAL A 99 16.291 -40.867 -8.788 1.00 0.00 H new ATOM 0 HG12 VAL A 99 15.580 -41.492 -7.281 1.00 0.00 H new ATOM 0 HG13 VAL A 99 14.758 -41.769 -8.835 1.00 0.00 H new ATOM 0 HG21 VAL A 99 15.198 -38.960 -9.987 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.664 -39.861 -10.028 1.00 0.00 H new ATOM 0 HG23 VAL A 99 13.717 -38.226 -9.327 1.00 0.00 H new ATOM 486 N ASN A 100 13.247 -42.046 -5.981 1.00 0.00 N ATOM 487 CA ASN A 100 13.485 -42.820 -4.772 1.00 0.00 C ATOM 488 C ASN A 100 14.951 -43.240 -4.680 1.00 0.00 C ATOM 489 O ASN A 100 15.446 -43.998 -5.515 1.00 0.00 O ATOM 490 CB ASN A 100 12.594 -44.064 -4.796 1.00 0.00 C ATOM 491 CG ASN A 100 12.832 -44.913 -3.556 1.00 0.00 C ATOM 492 OD1 ASN A 100 13.508 -45.939 -3.631 1.00 0.00 O ATOM 493 ND2 ASN A 100 12.316 -44.546 -2.416 1.00 0.00 N ATOM 0 H ASN A 100 12.825 -42.568 -6.749 1.00 0.00 H new ATOM 0 HA ASN A 100 13.249 -42.206 -3.903 1.00 0.00 H new ATOM 0 HB2 ASN A 100 11.546 -43.767 -4.845 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.802 -44.650 -5.691 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.472 -45.110 -1.581 1.00 0.00 H new ATOM 0 HD22 ASN A 100 11.757 -43.695 -2.360 1.00 0.00 H new ATOM 500 N SER A 101 15.633 -42.748 -3.648 1.00 0.00 N ATOM 501 CA SER A 101 17.037 -43.080 -3.435 1.00 0.00 C ATOM 502 C SER A 101 17.177 -44.477 -2.839 1.00 0.00 C ATOM 503 O SER A 101 18.220 -45.120 -2.967 1.00 0.00 O ATOM 504 CB SER A 101 17.683 -42.057 -2.503 1.00 0.00 C ATOM 505 OG SER A 101 17.122 -42.184 -1.204 1.00 0.00 O ATOM 0 H SER A 101 15.236 -42.120 -2.949 1.00 0.00 H new ATOM 0 HA SER A 101 17.543 -43.059 -4.400 1.00 0.00 H new ATOM 0 HB2 SER A 101 18.761 -42.214 -2.463 1.00 0.00 H new ATOM 0 HB3 SER A 101 17.522 -41.049 -2.884 1.00 0.00 H new ATOM 0 HG SER A 101 17.536 -41.530 -0.603 1.00 0.00 H new ATOM 511 N GLN A 102 16.123 -44.931 -2.173 1.00 0.00 N ATOM 512 CA GLN A 102 16.133 -46.244 -1.540 1.00 0.00 C ATOM 513 C GLN A 102 16.283 -47.340 -2.586 1.00 0.00 C ATOM 514 O GLN A 102 16.963 -48.337 -2.356 1.00 0.00 O ATOM 515 CB GLN A 102 14.841 -46.456 -0.746 1.00 0.00 C ATOM 516 CG GLN A 102 14.831 -45.532 0.471 1.00 0.00 C ATOM 517 CD GLN A 102 13.495 -45.643 1.197 1.00 0.00 C ATOM 518 OE1 GLN A 102 13.279 -44.976 2.210 1.00 0.00 O ATOM 519 NE2 GLN A 102 12.578 -46.450 0.735 1.00 0.00 N ATOM 0 H GLN A 102 15.253 -44.412 -2.057 1.00 0.00 H new ATOM 0 HA GLN A 102 16.983 -46.292 -0.859 1.00 0.00 H new ATOM 0 HB2 GLN A 102 13.976 -46.252 -1.377 1.00 0.00 H new ATOM 0 HB3 GLN A 102 14.764 -47.495 -0.427 1.00 0.00 H new ATOM 0 HG2 GLN A 102 15.645 -45.797 1.146 1.00 0.00 H new ATOM 0 HG3 GLN A 102 15.000 -44.502 0.158 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.759 -47.001 -0.104 1.00 0.00 H new ATOM 0 HE22 GLN A 102 11.680 -46.529 1.213 1.00 0.00 H new ATOM 528 N GLU A 103 15.639 -47.156 -3.731 1.00 0.00 N ATOM 529 CA GLU A 103 15.706 -48.150 -4.791 1.00 0.00 C ATOM 530 C GLU A 103 17.147 -48.317 -5.259 1.00 0.00 C ATOM 531 O GLU A 103 17.614 -49.436 -5.471 1.00 0.00 O ATOM 532 CB GLU A 103 14.827 -47.700 -5.967 1.00 0.00 C ATOM 533 CG GLU A 103 14.833 -48.761 -7.074 1.00 0.00 C ATOM 534 CD GLU A 103 14.212 -50.056 -6.561 1.00 0.00 C ATOM 535 OE1 GLU A 103 13.484 -49.994 -5.584 1.00 0.00 O ATOM 536 OE2 GLU A 103 14.471 -51.090 -7.153 1.00 0.00 O ATOM 0 H GLU A 103 15.071 -46.337 -3.947 1.00 0.00 H new ATOM 0 HA GLU A 103 15.345 -49.106 -4.411 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.807 -47.530 -5.623 1.00 0.00 H new ATOM 0 HB3 GLU A 103 15.193 -46.752 -6.361 1.00 0.00 H new ATOM 0 HG2 GLU A 103 14.277 -48.399 -7.939 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.855 -48.945 -7.407 1.00 0.00 H new ATOM 543 N GLU A 104 17.854 -47.201 -5.407 1.00 0.00 N ATOM 544 CA GLU A 104 19.244 -47.252 -5.842 1.00 0.00 C ATOM 545 C GLU A 104 20.100 -47.958 -4.793 1.00 0.00 C ATOM 546 O GLU A 104 20.964 -48.770 -5.125 1.00 0.00 O ATOM 547 CB GLU A 104 19.771 -45.833 -6.077 1.00 0.00 C ATOM 548 CG GLU A 104 21.208 -45.899 -6.600 1.00 0.00 C ATOM 549 CD GLU A 104 21.710 -44.497 -6.926 1.00 0.00 C ATOM 550 OE1 GLU A 104 21.538 -43.620 -6.095 1.00 0.00 O ATOM 551 OE2 GLU A 104 22.259 -44.321 -8.000 1.00 0.00 O ATOM 0 H GLU A 104 17.493 -46.263 -5.235 1.00 0.00 H new ATOM 0 HA GLU A 104 19.299 -47.812 -6.776 1.00 0.00 H new ATOM 0 HB2 GLU A 104 19.136 -45.312 -6.794 1.00 0.00 H new ATOM 0 HB3 GLU A 104 19.737 -45.263 -5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 104 21.854 -46.361 -5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 104 21.251 -46.526 -7.491 1.00 0.00 H new ATOM 558 N GLU A 105 19.856 -47.642 -3.522 1.00 0.00 N ATOM 559 CA GLU A 105 20.617 -48.252 -2.435 1.00 0.00 C ATOM 560 C GLU A 105 20.368 -49.757 -2.376 1.00 0.00 C ATOM 561 O GLU A 105 21.294 -50.540 -2.168 1.00 0.00 O ATOM 562 CB GLU A 105 20.213 -47.620 -1.101 1.00 0.00 C ATOM 563 CG GLU A 105 20.650 -46.154 -1.073 1.00 0.00 C ATOM 564 CD GLU A 105 22.171 -46.058 -1.030 1.00 0.00 C ATOM 565 OE1 GLU A 105 22.795 -47.032 -0.643 1.00 0.00 O ATOM 566 OE2 GLU A 105 22.689 -45.012 -1.384 1.00 0.00 O ATOM 0 H GLU A 105 19.145 -46.975 -3.222 1.00 0.00 H new ATOM 0 HA GLU A 105 21.677 -48.078 -2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 105 19.134 -47.691 -0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 105 20.674 -48.163 -0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 105 20.271 -45.637 -1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 105 20.222 -45.656 -0.203 1.00 0.00 H new ATOM 573 N GLU A 106 19.115 -50.158 -2.568 1.00 0.00 N ATOM 574 CA GLU A 106 18.767 -51.574 -2.538 1.00 0.00 C ATOM 575 C GLU A 106 19.486 -52.327 -3.647 1.00 0.00 C ATOM 576 O GLU A 106 19.955 -53.447 -3.446 1.00 0.00 O ATOM 577 CB GLU A 106 17.255 -51.749 -2.696 1.00 0.00 C ATOM 578 CG GLU A 106 16.549 -51.292 -1.418 1.00 0.00 C ATOM 579 CD GLU A 106 15.043 -51.228 -1.652 1.00 0.00 C ATOM 580 OE1 GLU A 106 14.642 -51.239 -2.804 1.00 0.00 O ATOM 581 OE2 GLU A 106 14.314 -51.168 -0.677 1.00 0.00 O ATOM 0 H GLU A 106 18.331 -49.530 -2.744 1.00 0.00 H new ATOM 0 HA GLU A 106 19.079 -51.982 -1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 106 16.899 -51.169 -3.547 1.00 0.00 H new ATOM 0 HB3 GLU A 106 17.019 -52.793 -2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 106 16.770 -51.982 -0.603 1.00 0.00 H new ATOM 0 HG3 GLU A 106 16.921 -50.313 -1.117 1.00 0.00 H new ATOM 588 N GLU A 107 19.577 -51.706 -4.817 1.00 0.00 N ATOM 589 CA GLU A 107 20.248 -52.334 -5.944 1.00 0.00 C ATOM 590 C GLU A 107 21.718 -52.578 -5.614 1.00 0.00 C ATOM 591 O GLU A 107 22.268 -53.633 -5.929 1.00 0.00 O ATOM 592 CB GLU A 107 20.140 -51.438 -7.179 1.00 0.00 C ATOM 593 CG GLU A 107 18.706 -51.469 -7.710 1.00 0.00 C ATOM 594 CD GLU A 107 18.416 -52.824 -8.347 1.00 0.00 C ATOM 595 OE1 GLU A 107 18.671 -52.964 -9.533 1.00 0.00 O ATOM 596 OE2 GLU A 107 17.946 -53.700 -7.641 1.00 0.00 O ATOM 0 H GLU A 107 19.198 -50.778 -5.007 1.00 0.00 H new ATOM 0 HA GLU A 107 19.767 -53.291 -6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 107 20.423 -50.416 -6.926 1.00 0.00 H new ATOM 0 HB3 GLU A 107 20.832 -51.778 -7.950 1.00 0.00 H new ATOM 0 HG2 GLU A 107 18.004 -51.282 -6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 107 18.563 -50.675 -8.443 1.00 0.00 H new ATOM 603 N GLU A 108 22.347 -51.595 -4.975 1.00 0.00 N ATOM 604 CA GLU A 108 23.754 -51.714 -4.606 1.00 0.00 C ATOM 605 C GLU A 108 23.954 -52.811 -3.564 1.00 0.00 C ATOM 606 O GLU A 108 24.903 -53.590 -3.645 1.00 0.00 O ATOM 607 CB GLU A 108 24.257 -50.385 -4.046 1.00 0.00 C ATOM 608 CG GLU A 108 24.243 -49.323 -5.148 1.00 0.00 C ATOM 609 CD GLU A 108 25.291 -49.651 -6.205 1.00 0.00 C ATOM 610 OE1 GLU A 108 26.211 -50.388 -5.892 1.00 0.00 O ATOM 611 OE2 GLU A 108 25.158 -49.159 -7.314 1.00 0.00 O ATOM 0 H GLU A 108 21.909 -50.715 -4.704 1.00 0.00 H new ATOM 0 HA GLU A 108 24.320 -51.975 -5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 108 23.628 -50.068 -3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 108 25.267 -50.503 -3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 108 23.255 -49.276 -5.606 1.00 0.00 H new ATOM 0 HG3 GLU A 108 24.442 -48.341 -4.720 1.00 0.00 H new ATOM 618 N LEU A 109 23.051 -52.876 -2.588 1.00 0.00 N ATOM 619 CA LEU A 109 23.149 -53.891 -1.540 1.00 0.00 C ATOM 620 C LEU A 109 22.969 -55.283 -2.141 1.00 0.00 C ATOM 621 O LEU A 109 23.653 -56.232 -1.756 1.00 0.00 O ATOM 622 CB LEU A 109 22.079 -53.640 -0.450 1.00 0.00 C ATOM 623 CG LEU A 109 22.655 -52.799 0.701 1.00 0.00 C ATOM 624 CD1 LEU A 109 22.981 -51.390 0.208 1.00 0.00 C ATOM 625 CD2 LEU A 109 21.622 -52.718 1.826 1.00 0.00 C ATOM 0 H LEU A 109 22.253 -52.247 -2.500 1.00 0.00 H new ATOM 0 HA LEU A 109 24.136 -53.829 -1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 109 21.222 -53.127 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 109 21.717 -54.593 -0.064 1.00 0.00 H new ATOM 0 HG LEU A 109 23.569 -53.267 1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 109 23.388 -50.802 1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 109 23.715 -51.447 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 109 22.073 -50.915 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 109 22.023 -52.123 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 109 20.711 -52.251 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 109 21.394 -53.722 2.184 1.00 0.00 H new ATOM 637 N LEU A 110 22.041 -55.398 -3.081 1.00 0.00 N ATOM 638 CA LEU A 110 21.777 -56.679 -3.716 1.00 0.00 C ATOM 639 C LEU A 110 23.009 -57.169 -4.462 1.00 0.00 C ATOM 640 O LEU A 110 23.357 -58.347 -4.391 1.00 0.00 O ATOM 641 CB LEU A 110 20.593 -56.553 -4.683 1.00 0.00 C ATOM 642 CG LEU A 110 20.309 -57.920 -5.375 1.00 0.00 C ATOM 643 CD1 LEU A 110 18.799 -58.167 -5.459 1.00 0.00 C ATOM 644 CD2 LEU A 110 20.886 -57.919 -6.800 1.00 0.00 C ATOM 0 H LEU A 110 21.464 -54.627 -3.417 1.00 0.00 H new ATOM 0 HA LEU A 110 21.529 -57.405 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 110 19.707 -56.221 -4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 110 20.809 -55.795 -5.436 1.00 0.00 H new ATOM 0 HG LEU A 110 20.779 -58.707 -4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 110 18.613 -59.125 -5.944 1.00 0.00 H new ATOM 0 HD12 LEU A 110 18.376 -58.181 -4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 110 18.332 -57.370 -6.038 1.00 0.00 H new ATOM 0 HD21 LEU A 110 20.683 -58.878 -7.276 1.00 0.00 H new ATOM 0 HD22 LEU A 110 20.422 -57.121 -7.380 1.00 0.00 H new ATOM 0 HD23 LEU A 110 21.963 -57.757 -6.756 1.00 0.00 H new ATOM 656 N ARG A 111 23.668 -56.262 -5.174 1.00 0.00 N ATOM 657 CA ARG A 111 24.864 -56.626 -5.923 1.00 0.00 C ATOM 658 C ARG A 111 25.955 -57.113 -4.971 1.00 0.00 C ATOM 659 O ARG A 111 26.646 -58.092 -5.251 1.00 0.00 O ATOM 660 CB ARG A 111 25.373 -55.414 -6.704 1.00 0.00 C ATOM 661 CG ARG A 111 26.499 -55.843 -7.646 1.00 0.00 C ATOM 662 CD ARG A 111 27.105 -54.606 -8.305 1.00 0.00 C ATOM 663 NE ARG A 111 26.087 -53.893 -9.070 1.00 0.00 N ATOM 664 CZ ARG A 111 25.798 -54.231 -10.322 1.00 0.00 C ATOM 665 NH1 ARG A 111 26.418 -55.231 -10.887 1.00 0.00 N ATOM 666 NH2 ARG A 111 24.890 -53.566 -10.984 1.00 0.00 N ATOM 0 H ARG A 111 23.399 -55.281 -5.248 1.00 0.00 H new ATOM 0 HA ARG A 111 24.613 -57.428 -6.617 1.00 0.00 H new ATOM 0 HB2 ARG A 111 24.558 -54.969 -7.275 1.00 0.00 H new ATOM 0 HB3 ARG A 111 25.734 -54.650 -6.015 1.00 0.00 H new ATOM 0 HG2 ARG A 111 27.265 -56.386 -7.092 1.00 0.00 H new ATOM 0 HG3 ARG A 111 26.114 -56.522 -8.406 1.00 0.00 H new ATOM 0 HD2 ARG A 111 27.525 -53.949 -7.544 1.00 0.00 H new ATOM 0 HD3 ARG A 111 27.925 -54.899 -8.961 1.00 0.00 H new ATOM 0 HE ARG A 111 25.587 -53.118 -8.634 1.00 0.00 H new ATOM 0 HH11 ARG A 111 27.124 -55.753 -10.367 1.00 0.00 H new ATOM 0 HH12 ARG A 111 26.197 -55.491 -11.848 1.00 0.00 H new ATOM 0 HH21 ARG A 111 24.403 -52.787 -10.540 1.00 0.00 H new ATOM 0 HH22 ARG A 111 24.668 -53.825 -11.945 1.00 0.00 H new ATOM 680 N LYS A 112 26.100 -56.422 -3.845 1.00 0.00 N ATOM 681 CA LYS A 112 27.108 -56.794 -2.858 1.00 0.00 C ATOM 682 C LYS A 112 26.815 -58.172 -2.280 1.00 0.00 C ATOM 683 O LYS A 112 27.728 -58.957 -2.038 1.00 0.00 O ATOM 684 CB LYS A 112 27.151 -55.763 -1.729 1.00 0.00 C ATOM 685 CG LYS A 112 27.735 -54.452 -2.258 1.00 0.00 C ATOM 686 CD LYS A 112 27.787 -53.425 -1.125 1.00 0.00 C ATOM 687 CE LYS A 112 28.411 -52.127 -1.642 1.00 0.00 C ATOM 688 NZ LYS A 112 27.539 -51.548 -2.704 1.00 0.00 N ATOM 0 H LYS A 112 25.538 -55.609 -3.594 1.00 0.00 H new ATOM 0 HA LYS A 112 28.076 -56.821 -3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 112 26.148 -55.595 -1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 112 27.757 -56.137 -0.904 1.00 0.00 H new ATOM 0 HG2 LYS A 112 28.735 -54.621 -2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 112 27.125 -54.074 -3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 112 26.783 -53.233 -0.747 1.00 0.00 H new ATOM 0 HD3 LYS A 112 28.372 -53.816 -0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 112 28.528 -51.416 -0.824 1.00 0.00 H new ATOM 0 HE3 LYS A 112 29.407 -52.322 -2.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 27.593 -50.510 -2.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 27.859 -51.881 -3.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 26.556 -51.849 -2.548 1.00 0.00 H new ATOM 702 N ALA A 113 25.539 -58.457 -2.049 1.00 0.00 N ATOM 703 CA ALA A 113 25.152 -59.743 -1.482 1.00 0.00 C ATOM 704 C ALA A 113 25.595 -60.885 -2.389 1.00 0.00 C ATOM 705 O ALA A 113 26.088 -61.909 -1.912 1.00 0.00 O ATOM 706 CB ALA A 113 23.633 -59.793 -1.308 1.00 0.00 C ATOM 0 H ALA A 113 24.763 -57.824 -2.243 1.00 0.00 H new ATOM 0 HA ALA A 113 25.638 -59.855 -0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 113 23.347 -60.756 -0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 113 23.317 -58.993 -0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 113 23.151 -59.666 -2.278 1.00 0.00 H new ATOM 712 N ILE A 114 25.431 -60.702 -3.693 1.00 0.00 N ATOM 713 CA ILE A 114 25.830 -61.727 -4.650 1.00 0.00 C ATOM 714 C ILE A 114 27.351 -61.859 -4.685 1.00 0.00 C ATOM 715 O ILE A 114 27.888 -62.966 -4.722 1.00 0.00 O ATOM 716 CB ILE A 114 25.310 -61.371 -6.046 1.00 0.00 C ATOM 717 CG1 ILE A 114 23.772 -61.274 -6.027 1.00 0.00 C ATOM 718 CG2 ILE A 114 25.758 -62.436 -7.051 1.00 0.00 C ATOM 719 CD1 ILE A 114 23.132 -62.584 -5.535 1.00 0.00 C ATOM 0 H ILE A 114 25.029 -59.862 -4.110 1.00 0.00 H new ATOM 0 HA ILE A 114 25.401 -62.679 -4.338 1.00 0.00 H new ATOM 0 HB ILE A 114 25.718 -60.406 -6.345 1.00 0.00 H new ATOM 0 HG12 ILE A 114 23.466 -60.452 -5.380 1.00 0.00 H new ATOM 0 HG13 ILE A 114 23.408 -61.043 -7.028 1.00 0.00 H new ATOM 0 HG21 ILE A 114 25.386 -62.179 -8.043 1.00 0.00 H new ATOM 0 HG22 ILE A 114 26.847 -62.481 -7.072 1.00 0.00 H new ATOM 0 HG23 ILE A 114 25.360 -63.406 -6.754 1.00 0.00 H new ATOM 0 HD11 ILE A 114 22.047 -62.481 -5.534 1.00 0.00 H new ATOM 0 HD12 ILE A 114 23.418 -63.400 -6.198 1.00 0.00 H new ATOM 0 HD13 ILE A 114 23.477 -62.800 -4.524 1.00 0.00 H new ATOM 731 N ALA A 115 28.041 -60.719 -4.674 1.00 0.00 N ATOM 732 CA ALA A 115 29.502 -60.723 -4.708 1.00 0.00 C ATOM 733 C ALA A 115 30.062 -61.427 -3.475 1.00 0.00 C ATOM 734 O ALA A 115 31.017 -62.197 -3.568 1.00 0.00 O ATOM 735 CB ALA A 115 30.029 -59.287 -4.760 1.00 0.00 C ATOM 0 H ALA A 115 27.618 -59.792 -4.642 1.00 0.00 H new ATOM 0 HA ALA A 115 29.825 -61.260 -5.600 1.00 0.00 H new ATOM 0 HB1 ALA A 115 31.119 -59.300 -4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 115 29.651 -58.793 -5.655 1.00 0.00 H new ATOM 0 HB3 ALA A 115 29.693 -58.744 -3.877 1.00 0.00 H new ATOM 741 N GLU A 116 29.455 -61.165 -2.324 1.00 0.00 N ATOM 742 CA GLU A 116 29.897 -61.787 -1.082 1.00 0.00 C ATOM 743 C GLU A 116 29.709 -63.298 -1.141 1.00 0.00 C ATOM 744 O GLU A 116 30.554 -64.056 -0.669 1.00 0.00 O ATOM 745 CB GLU A 116 29.113 -61.217 0.101 1.00 0.00 C ATOM 746 CG GLU A 116 29.552 -59.773 0.356 1.00 0.00 C ATOM 747 CD GLU A 116 28.622 -59.120 1.370 1.00 0.00 C ATOM 748 OE1 GLU A 116 27.568 -59.679 1.625 1.00 0.00 O ATOM 749 OE2 GLU A 116 28.975 -58.067 1.876 1.00 0.00 O ATOM 0 H GLU A 116 28.662 -60.531 -2.224 1.00 0.00 H new ATOM 0 HA GLU A 116 30.957 -61.570 -0.950 1.00 0.00 H new ATOM 0 HB2 GLU A 116 28.044 -61.252 -0.107 1.00 0.00 H new ATOM 0 HB3 GLU A 116 29.285 -61.823 0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 116 30.577 -59.755 0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 116 29.540 -59.210 -0.577 1.00 0.00 H new ATOM 756 N SER A 117 28.593 -63.732 -1.718 1.00 0.00 N ATOM 757 CA SER A 117 28.316 -65.159 -1.820 1.00 0.00 C ATOM 758 C SER A 117 29.363 -65.844 -2.690 1.00 0.00 C ATOM 759 O SER A 117 29.821 -66.944 -2.378 1.00 0.00 O ATOM 760 CB SER A 117 26.928 -65.370 -2.428 1.00 0.00 C ATOM 761 OG SER A 117 25.942 -64.872 -1.533 1.00 0.00 O ATOM 0 H SER A 117 27.876 -63.126 -2.116 1.00 0.00 H new ATOM 0 HA SER A 117 28.349 -65.595 -0.821 1.00 0.00 H new ATOM 0 HB2 SER A 117 26.857 -64.857 -3.387 1.00 0.00 H new ATOM 0 HB3 SER A 117 26.760 -66.430 -2.620 1.00 0.00 H new ATOM 0 HG SER A 117 25.928 -63.893 -1.574 1.00 0.00 H new ATOM 767 N LEU A 118 29.739 -65.184 -3.780 1.00 0.00 N ATOM 768 CA LEU A 118 30.739 -65.734 -4.686 1.00 0.00 C ATOM 769 C LEU A 118 32.126 -65.695 -4.048 1.00 0.00 C ATOM 770 O LEU A 118 32.939 -66.593 -4.255 1.00 0.00 O ATOM 771 CB LEU A 118 30.747 -64.933 -5.990 1.00 0.00 C ATOM 772 CG LEU A 118 29.409 -65.115 -6.726 1.00 0.00 C ATOM 773 CD1 LEU A 118 29.363 -64.157 -7.920 1.00 0.00 C ATOM 774 CD2 LEU A 118 29.257 -66.568 -7.224 1.00 0.00 C ATOM 0 H LEU A 118 29.369 -64.274 -4.056 1.00 0.00 H new ATOM 0 HA LEU A 118 30.484 -66.773 -4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 118 30.914 -63.877 -5.777 1.00 0.00 H new ATOM 0 HB3 LEU A 118 31.569 -65.264 -6.625 1.00 0.00 H new ATOM 0 HG LEU A 118 28.592 -64.897 -6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 118 28.417 -64.279 -8.448 1.00 0.00 H new ATOM 0 HD12 LEU A 118 29.451 -63.130 -7.566 1.00 0.00 H new ATOM 0 HD13 LEU A 118 30.188 -64.379 -8.597 1.00 0.00 H new ATOM 0 HD21 LEU A 118 28.304 -66.677 -7.742 1.00 0.00 H new ATOM 0 HD22 LEU A 118 30.072 -66.805 -7.908 1.00 0.00 H new ATOM 0 HD23 LEU A 118 29.288 -67.249 -6.374 1.00 0.00 H new ATOM 786 N ASN A 119 32.390 -64.645 -3.270 1.00 0.00 N ATOM 787 CA ASN A 119 33.685 -64.500 -2.609 1.00 0.00 C ATOM 788 C ASN A 119 33.860 -65.552 -1.520 1.00 0.00 C ATOM 789 O ASN A 119 34.982 -65.948 -1.201 1.00 0.00 O ATOM 790 CB ASN A 119 33.803 -63.105 -1.996 1.00 0.00 C ATOM 791 CG ASN A 119 35.238 -62.853 -1.545 1.00 0.00 C ATOM 792 OD1 ASN A 119 36.136 -63.630 -1.867 1.00 0.00 O ATOM 793 ND2 ASN A 119 35.508 -61.803 -0.819 1.00 0.00 N ATOM 0 H ASN A 119 31.731 -63.889 -3.084 1.00 0.00 H new ATOM 0 HA ASN A 119 34.467 -64.639 -3.356 1.00 0.00 H new ATOM 0 HB2 ASN A 119 33.505 -62.352 -2.725 1.00 0.00 H new ATOM 0 HB3 ASN A 119 33.125 -63.013 -1.148 1.00 0.00 H new ATOM 0 HD21 ASN A 119 36.466 -61.624 -0.517 1.00 0.00 H new ATOM 0 HD22 ASN A 119 34.761 -61.161 -0.554 1.00 0.00 H new ATOM 800 N SER A 120 32.745 -66.001 -0.952 1.00 0.00 N ATOM 801 CA SER A 120 32.779 -67.008 0.103 1.00 0.00 C ATOM 802 C SER A 120 32.734 -68.410 -0.497 1.00 0.00 C ATOM 803 O SER A 120 32.864 -69.405 0.215 1.00 0.00 O ATOM 804 CB SER A 120 31.595 -66.802 1.046 1.00 0.00 C ATOM 805 OG SER A 120 31.725 -65.544 1.695 1.00 0.00 O ATOM 0 H SER A 120 31.809 -65.684 -1.204 1.00 0.00 H new ATOM 0 HA SER A 120 33.708 -66.903 0.663 1.00 0.00 H new ATOM 0 HB2 SER A 120 30.660 -66.841 0.488 1.00 0.00 H new ATOM 0 HB3 SER A 120 31.560 -67.603 1.784 1.00 0.00 H new ATOM 0 HG SER A 120 31.395 -64.835 1.104 1.00 0.00 H new ATOM 811 N CYS A 121 32.562 -68.477 -1.815 1.00 0.00 N ATOM 812 CA CYS A 121 32.516 -69.757 -2.510 1.00 0.00 C ATOM 813 C CYS A 121 31.431 -70.669 -1.934 1.00 0.00 C ATOM 814 O CYS A 121 31.683 -71.843 -1.651 1.00 0.00 O ATOM 815 CB CYS A 121 33.880 -70.448 -2.414 1.00 0.00 C ATOM 816 SG CYS A 121 35.136 -69.412 -3.208 1.00 0.00 S ATOM 0 H CYS A 121 32.453 -67.663 -2.419 1.00 0.00 H new ATOM 0 HA CYS A 121 32.273 -69.564 -3.555 1.00 0.00 H new ATOM 0 HB2 CYS A 121 34.141 -70.619 -1.370 1.00 0.00 H new ATOM 0 HB3 CYS A 121 33.840 -71.425 -2.896 1.00 0.00 H new ATOM 0 HG CYS A 121 36.295 -69.995 -3.126 1.00 0.00 H new ATOM 822 N ARG A 122 30.220 -70.133 -1.774 1.00 0.00 N ATOM 823 CA ARG A 122 29.112 -70.927 -1.245 1.00 0.00 C ATOM 824 C ARG A 122 29.537 -71.686 0.015 1.00 0.00 C ATOM 825 O ARG A 122 29.844 -72.876 -0.052 1.00 0.00 O ATOM 826 CB ARG A 122 28.624 -71.914 -2.306 1.00 0.00 C ATOM 827 CG ARG A 122 27.936 -71.133 -3.428 1.00 0.00 C ATOM 828 CD ARG A 122 27.456 -72.093 -4.514 1.00 0.00 C ATOM 829 NE ARG A 122 26.761 -71.351 -5.559 1.00 0.00 N ATOM 830 CZ ARG A 122 27.433 -70.708 -6.508 1.00 0.00 C ATOM 831 NH1 ARG A 122 28.738 -70.719 -6.502 1.00 0.00 N ATOM 832 NH2 ARG A 122 26.788 -70.060 -7.438 1.00 0.00 N ATOM 0 H ARG A 122 29.984 -69.167 -2.000 1.00 0.00 H new ATOM 0 HA ARG A 122 28.300 -70.249 -0.981 1.00 0.00 H new ATOM 0 HB2 ARG A 122 29.463 -72.486 -2.704 1.00 0.00 H new ATOM 0 HB3 ARG A 122 27.931 -72.630 -1.865 1.00 0.00 H new ATOM 0 HG2 ARG A 122 27.091 -70.573 -3.027 1.00 0.00 H new ATOM 0 HG3 ARG A 122 28.628 -70.406 -3.853 1.00 0.00 H new ATOM 0 HD2 ARG A 122 28.305 -72.629 -4.939 1.00 0.00 H new ATOM 0 HD3 ARG A 122 26.791 -72.841 -4.083 1.00 0.00 H new ATOM 0 HE ARG A 122 25.741 -71.325 -5.562 1.00 0.00 H new ATOM 0 HH11 ARG A 122 29.240 -71.221 -5.770 1.00 0.00 H new ATOM 0 HH12 ARG A 122 29.256 -70.226 -7.230 1.00 0.00 H new ATOM 0 HH21 ARG A 122 25.768 -70.047 -7.437 1.00 0.00 H new ATOM 0 HH22 ARG A 122 27.303 -69.566 -8.167 1.00 0.00 H new ATOM 846 N PRO A 123 29.598 -71.027 1.149 1.00 0.00 N ATOM 847 CA PRO A 123 30.039 -71.677 2.418 1.00 0.00 C ATOM 848 C PRO A 123 29.022 -72.697 2.923 1.00 0.00 C ATOM 849 O PRO A 123 27.823 -72.573 2.671 1.00 0.00 O ATOM 850 CB PRO A 123 30.216 -70.500 3.391 1.00 0.00 C ATOM 851 CG PRO A 123 29.294 -69.439 2.885 1.00 0.00 C ATOM 852 CD PRO A 123 29.238 -69.610 1.362 1.00 0.00 C ATOM 0 HA PRO A 123 30.956 -72.254 2.295 1.00 0.00 H new ATOM 0 HB2 PRO A 123 29.963 -70.789 4.411 1.00 0.00 H new ATOM 0 HB3 PRO A 123 31.249 -70.152 3.405 1.00 0.00 H new ATOM 0 HG2 PRO A 123 28.302 -69.543 3.325 1.00 0.00 H new ATOM 0 HG3 PRO A 123 29.658 -68.447 3.152 1.00 0.00 H new ATOM 0 HD2 PRO A 123 28.245 -69.387 0.971 1.00 0.00 H new ATOM 0 HD3 PRO A 123 29.936 -68.941 0.859 1.00 0.00 H new ATOM 860 N SER A 124 29.513 -73.704 3.632 1.00 0.00 N ATOM 861 CA SER A 124 28.643 -74.743 4.166 1.00 0.00 C ATOM 862 C SER A 124 27.783 -74.189 5.296 1.00 0.00 C ATOM 863 O SER A 124 28.089 -73.144 5.869 1.00 0.00 O ATOM 864 CB SER A 124 29.479 -75.914 4.683 1.00 0.00 C ATOM 865 OG SER A 124 30.189 -75.508 5.846 1.00 0.00 O ATOM 0 H SER A 124 30.502 -73.824 3.850 1.00 0.00 H new ATOM 0 HA SER A 124 27.991 -75.092 3.365 1.00 0.00 H new ATOM 0 HB2 SER A 124 28.834 -76.762 4.914 1.00 0.00 H new ATOM 0 HB3 SER A 124 30.177 -76.245 3.914 1.00 0.00 H new ATOM 0 HG SER A 124 30.725 -76.257 6.181 1.00 0.00 H new ATOM 871 N ASP A 125 26.708 -74.898 5.611 1.00 0.00 N ATOM 872 CA ASP A 125 25.809 -74.470 6.675 1.00 0.00 C ATOM 873 C ASP A 125 26.531 -74.473 8.017 1.00 0.00 C ATOM 874 O ASP A 125 27.590 -75.082 8.165 1.00 0.00 O ATOM 875 CB ASP A 125 24.591 -75.394 6.742 1.00 0.00 C ATOM 876 CG ASP A 125 23.664 -75.129 5.559 1.00 0.00 C ATOM 877 OD1 ASP A 125 23.859 -74.127 4.889 1.00 0.00 O ATOM 878 OD2 ASP A 125 22.769 -75.929 5.343 1.00 0.00 O ATOM 0 H ASP A 125 26.438 -75.766 5.149 1.00 0.00 H new ATOM 0 HA ASP A 125 25.476 -73.455 6.456 1.00 0.00 H new ATOM 0 HB2 ASP A 125 24.914 -76.435 6.734 1.00 0.00 H new ATOM 0 HB3 ASP A 125 24.054 -75.234 7.677 1.00 0.00 H new ATOM 883 N ALA A 126 25.953 -73.777 8.989 1.00 0.00 N ATOM 884 CA ALA A 126 26.547 -73.692 10.317 1.00 0.00 C ATOM 885 C ALA A 126 26.687 -75.083 10.927 1.00 0.00 C ATOM 886 O ALA A 126 27.380 -75.264 11.928 1.00 0.00 O ATOM 887 CB ALA A 126 25.675 -72.820 11.222 1.00 0.00 C ATOM 0 H ALA A 126 25.077 -73.265 8.883 1.00 0.00 H new ATOM 0 HA ALA A 126 27.537 -73.245 10.227 1.00 0.00 H new ATOM 0 HB1 ALA A 126 26.125 -72.761 12.213 1.00 0.00 H new ATOM 0 HB2 ALA A 126 25.598 -71.819 10.798 1.00 0.00 H new ATOM 0 HB3 ALA A 126 24.680 -73.258 11.301 1.00 0.00 H new ATOM 893 N SER A 127 26.022 -76.061 10.321 1.00 0.00 N ATOM 894 CA SER A 127 26.076 -77.433 10.816 1.00 0.00 C ATOM 895 C SER A 127 27.436 -78.060 10.519 1.00 0.00 C ATOM 896 O SER A 127 27.836 -79.026 11.168 1.00 0.00 O ATOM 897 CB SER A 127 24.979 -78.265 10.155 1.00 0.00 C ATOM 898 OG SER A 127 23.707 -77.775 10.558 1.00 0.00 O ATOM 0 H SER A 127 25.443 -75.931 9.492 1.00 0.00 H new ATOM 0 HA SER A 127 25.925 -77.416 11.895 1.00 0.00 H new ATOM 0 HB2 SER A 127 25.073 -78.215 9.070 1.00 0.00 H new ATOM 0 HB3 SER A 127 25.083 -79.313 10.436 1.00 0.00 H new ATOM 0 HG SER A 127 23.002 -78.307 10.133 1.00 0.00 H new ATOM 904 N ALA A 128 28.144 -77.501 9.540 1.00 0.00 N ATOM 905 CA ALA A 128 29.464 -78.006 9.165 1.00 0.00 C ATOM 906 C ALA A 128 29.338 -79.257 8.297 1.00 0.00 C ATOM 907 O ALA A 128 30.225 -80.110 8.291 1.00 0.00 O ATOM 908 CB ALA A 128 30.294 -78.318 10.426 1.00 0.00 C ATOM 0 H ALA A 128 27.827 -76.700 8.993 1.00 0.00 H new ATOM 0 HA ALA A 128 29.974 -77.235 8.587 1.00 0.00 H new ATOM 0 HB1 ALA A 128 31.274 -78.693 10.133 1.00 0.00 H new ATOM 0 HB2 ALA A 128 30.415 -77.410 11.016 1.00 0.00 H new ATOM 0 HB3 ALA A 128 29.780 -79.072 11.022 1.00 0.00 H new ATOM 914 N THR A 129 28.233 -79.355 7.562 1.00 0.00 N ATOM 915 CA THR A 129 28.001 -80.504 6.689 1.00 0.00 C ATOM 916 C THR A 129 28.532 -80.222 5.288 1.00 0.00 C ATOM 917 O THR A 129 28.561 -79.075 4.845 1.00 0.00 O ATOM 918 CB THR A 129 26.503 -80.811 6.621 1.00 0.00 C ATOM 919 OG1 THR A 129 25.801 -79.642 6.219 1.00 0.00 O ATOM 920 CG2 THR A 129 26.013 -81.265 7.996 1.00 0.00 C ATOM 0 H THR A 129 27.488 -78.658 7.553 1.00 0.00 H new ATOM 0 HA THR A 129 28.528 -81.366 7.098 1.00 0.00 H new ATOM 0 HB THR A 129 26.323 -81.606 5.897 1.00 0.00 H new ATOM 0 HG1 THR A 129 24.842 -79.836 6.173 1.00 0.00 H new ATOM 0 HG21 THR A 129 24.946 -81.484 7.948 1.00 0.00 H new ATOM 0 HG22 THR A 129 26.554 -82.162 8.297 1.00 0.00 H new ATOM 0 HG23 THR A 129 26.189 -80.473 8.724 1.00 0.00 H new ATOM 928 N ARG A 130 28.952 -81.279 4.594 1.00 0.00 N ATOM 929 CA ARG A 130 29.487 -81.138 3.239 1.00 0.00 C ATOM 930 C ARG A 130 28.413 -81.464 2.208 1.00 0.00 C ATOM 931 O ARG A 130 27.800 -82.530 2.251 1.00 0.00 O ATOM 932 CB ARG A 130 30.685 -82.072 3.056 1.00 0.00 C ATOM 933 CG ARG A 130 31.275 -81.879 1.658 1.00 0.00 C ATOM 934 CD ARG A 130 32.624 -82.593 1.572 1.00 0.00 C ATOM 935 NE ARG A 130 33.593 -81.928 2.436 1.00 0.00 N ATOM 936 CZ ARG A 130 34.832 -82.389 2.570 1.00 0.00 C ATOM 937 NH1 ARG A 130 35.205 -83.458 1.920 1.00 0.00 N ATOM 938 NH2 ARG A 130 35.677 -81.772 3.350 1.00 0.00 N ATOM 0 H ARG A 130 28.933 -82.237 4.944 1.00 0.00 H new ATOM 0 HA ARG A 130 29.809 -80.107 3.094 1.00 0.00 H new ATOM 0 HB2 ARG A 130 31.441 -81.863 3.813 1.00 0.00 H new ATOM 0 HB3 ARG A 130 30.376 -83.108 3.192 1.00 0.00 H new ATOM 0 HG2 ARG A 130 30.593 -82.275 0.906 1.00 0.00 H new ATOM 0 HG3 ARG A 130 31.399 -80.817 1.447 1.00 0.00 H new ATOM 0 HD2 ARG A 130 32.513 -83.636 1.870 1.00 0.00 H new ATOM 0 HD3 ARG A 130 32.981 -82.592 0.542 1.00 0.00 H new ATOM 0 HE ARG A 130 33.314 -81.091 2.948 1.00 0.00 H new ATOM 0 HH11 ARG A 130 34.545 -83.940 1.309 1.00 0.00 H new ATOM 0 HH12 ARG A 130 36.156 -83.812 2.023 1.00 0.00 H new ATOM 0 HH21 ARG A 130 35.386 -80.936 3.857 1.00 0.00 H new ATOM 0 HH22 ARG A 130 36.628 -82.126 3.453 1.00 0.00 H new ATOM 952 N SER A 131 28.191 -80.535 1.284 1.00 0.00 N ATOM 953 CA SER A 131 27.184 -80.729 0.249 1.00 0.00 C ATOM 954 C SER A 131 25.835 -81.065 0.874 1.00 0.00 C ATOM 955 O SER A 131 25.126 -80.140 1.239 1.00 0.00 O ATOM 956 CB SER A 131 27.609 -81.858 -0.690 1.00 0.00 C ATOM 957 OG SER A 131 26.554 -82.130 -1.603 1.00 0.00 O ATOM 958 OXT SER A 131 25.529 -82.241 0.981 1.00 0.00 O ATOM 0 H SER A 131 28.691 -79.647 1.231 1.00 0.00 H new ATOM 0 HA SER A 131 27.090 -79.803 -0.318 1.00 0.00 H new ATOM 0 HB2 SER A 131 28.511 -81.576 -1.232 1.00 0.00 H new ATOM 0 HB3 SER A 131 27.849 -82.753 -0.116 1.00 0.00 H new ATOM 0 HG SER A 131 26.823 -82.852 -2.208 1.00 0.00 H new TER 964 SER A 131