USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=15 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 Set 1.1: A 127 SER OG : rot -160:sc= 1.14 USER MOD Set 1.2: A 129 THR OG1 : rot -68:sc= 1.08 USER MOD Set 2.1: A 91 MET CE :methyl 176:sc= 0 (180deg=0) USER MOD Set 2.2: A 94 GLN : amide:sc= -0.0539 K(o=-0.054,f=-2.8!) USER MOD Single : A 0 SER OG : rot -5:sc= -1.71 USER MOD Single : A -4 GLY N :NH3+ -115:sc= 0.135 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 151:sc= -0.249 (180deg=-1.32!) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 79 MET CE :methyl -127:sc=-0.00881 (180deg=-0.236) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -4.91! C(o=-4.9!,f=-6.7!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -36:sc= 0.659 USER MOD Single : A 100 ASN : amide:sc= -0.043 K(o=-0.043,f=-1.8!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 75:sc= 0.268 USER MOD Single : A 119 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.3!) USER MOD Single : A 120 SER OG : rot 103:sc= 1.22 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 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 -5.017 -22.020 5.188 1.00 0.00 N ATOM 2 CA GLY A -4 -4.696 -23.197 4.334 1.00 0.00 C ATOM 3 C GLY A -4 -4.841 -22.817 2.863 1.00 0.00 C ATOM 4 O GLY A -4 -5.293 -21.720 2.539 1.00 0.00 O ATOM 0 H1 GLY A -4 -4.165 -21.724 5.706 1.00 0.00 H new ATOM 0 H2 GLY A -4 -5.347 -21.236 4.589 1.00 0.00 H new ATOM 0 H3 GLY A -4 -5.763 -22.276 5.866 1.00 0.00 H new ATOM 0 HA2 GLY A -4 -3.680 -23.538 4.534 1.00 0.00 H new ATOM 0 HA3 GLY A -4 -5.363 -24.025 4.573 1.00 0.00 H new ATOM 10 N PRO A -3 -4.465 -23.702 1.977 1.00 0.00 N ATOM 11 CA PRO A -3 -4.554 -23.458 0.507 1.00 0.00 C ATOM 12 C PRO A -3 -6.001 -23.298 0.039 1.00 0.00 C ATOM 13 O PRO A -3 -6.276 -22.613 -0.945 1.00 0.00 O ATOM 14 CB PRO A -3 -3.899 -24.704 -0.116 1.00 0.00 C ATOM 15 CG PRO A -3 -3.976 -25.764 0.940 1.00 0.00 C ATOM 16 CD PRO A -3 -3.917 -25.033 2.282 1.00 0.00 C ATOM 0 HA PRO A -3 -4.061 -22.531 0.214 1.00 0.00 H new ATOM 0 HB2 PRO A -3 -4.423 -25.012 -1.021 1.00 0.00 H new ATOM 0 HB3 PRO A -3 -2.865 -24.505 -0.398 1.00 0.00 H new ATOM 0 HG2 PRO A -3 -4.898 -26.338 0.849 1.00 0.00 H new ATOM 0 HG3 PRO A -3 -3.151 -26.470 0.844 1.00 0.00 H new ATOM 0 HD2 PRO A -3 -4.507 -25.544 3.043 1.00 0.00 H new ATOM 0 HD3 PRO A -3 -2.896 -24.969 2.659 1.00 0.00 H new ATOM 24 N LEU A -2 -6.921 -23.938 0.751 1.00 0.00 N ATOM 25 CA LEU A -2 -8.330 -23.865 0.391 1.00 0.00 C ATOM 26 C LEU A -2 -8.891 -22.484 0.701 1.00 0.00 C ATOM 27 O LEU A -2 -8.760 -21.984 1.818 1.00 0.00 O ATOM 28 CB LEU A -2 -9.114 -24.922 1.172 1.00 0.00 C ATOM 29 CG LEU A -2 -8.521 -26.309 0.900 1.00 0.00 C ATOM 30 CD1 LEU A -2 -9.257 -27.354 1.746 1.00 0.00 C ATOM 31 CD2 LEU A -2 -8.662 -26.661 -0.592 1.00 0.00 C ATOM 0 H LEU A -2 -6.719 -24.508 1.573 1.00 0.00 H new ATOM 0 HA LEU A -2 -8.427 -24.050 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A -2 -9.076 -24.702 2.239 1.00 0.00 H new ATOM 0 HB3 LEU A -2 -10.164 -24.901 0.879 1.00 0.00 H new ATOM 0 HG LEU A -2 -7.464 -26.303 1.165 1.00 0.00 H new ATOM 0 HD11 LEU A -2 -8.836 -28.341 1.553 1.00 0.00 H new ATOM 0 HD12 LEU A -2 -9.144 -27.112 2.803 1.00 0.00 H new ATOM 0 HD13 LEU A -2 -10.315 -27.354 1.485 1.00 0.00 H new ATOM 0 HD21 LEU A -2 -8.238 -27.648 -0.775 1.00 0.00 H new ATOM 0 HD22 LEU A -2 -9.717 -26.663 -0.867 1.00 0.00 H new ATOM 0 HD23 LEU A -2 -8.132 -25.922 -1.192 1.00 0.00 H new ATOM 43 N GLY A -1 -9.518 -21.872 -0.297 1.00 0.00 N ATOM 44 CA GLY A -1 -10.100 -20.549 -0.122 1.00 0.00 C ATOM 45 C GLY A -1 -9.016 -19.476 -0.088 1.00 0.00 C ATOM 46 O GLY A -1 -9.277 -18.331 0.276 1.00 0.00 O ATOM 0 H GLY A -1 -9.635 -22.268 -1.229 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -10.795 -20.343 -0.936 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -10.675 -20.520 0.804 1.00 0.00 H new ATOM 50 N SER A 0 -7.802 -19.855 -0.470 1.00 0.00 N ATOM 51 CA SER A 0 -6.685 -18.916 -0.477 1.00 0.00 C ATOM 52 C SER A 0 -6.899 -17.836 -1.531 1.00 0.00 C ATOM 53 O SER A 0 -7.577 -18.057 -2.534 1.00 0.00 O ATOM 54 CB SER A 0 -5.382 -19.658 -0.761 1.00 0.00 C ATOM 55 OG SER A 0 -5.114 -20.556 0.307 1.00 0.00 O ATOM 0 H SER A 0 -7.566 -20.799 -0.777 1.00 0.00 H new ATOM 0 HA SER A 0 -6.627 -18.443 0.503 1.00 0.00 H new ATOM 0 HB2 SER A 0 -5.458 -20.204 -1.701 1.00 0.00 H new ATOM 0 HB3 SER A 0 -4.562 -18.949 -0.870 1.00 0.00 H new ATOM 0 HG SER A 0 -5.781 -20.432 1.014 1.00 0.00 H new ATOM 61 N ARG A 74 -6.316 -16.665 -1.294 1.00 0.00 N ATOM 62 CA ARG A 74 -6.449 -15.554 -2.228 1.00 0.00 C ATOM 63 C ARG A 74 -5.734 -15.871 -3.537 1.00 0.00 C ATOM 64 O ARG A 74 -4.714 -16.560 -3.548 1.00 0.00 O ATOM 65 CB ARG A 74 -5.856 -14.285 -1.615 1.00 0.00 C ATOM 66 CG ARG A 74 -6.675 -13.877 -0.391 1.00 0.00 C ATOM 67 CD ARG A 74 -6.095 -12.593 0.207 1.00 0.00 C ATOM 68 NE ARG A 74 -6.817 -12.231 1.422 1.00 0.00 N ATOM 69 CZ ARG A 74 -7.969 -11.571 1.368 1.00 0.00 C ATOM 70 NH1 ARG A 74 -8.476 -11.236 0.212 1.00 0.00 N ATOM 71 NH2 ARG A 74 -8.596 -11.261 2.470 1.00 0.00 N ATOM 0 H ARG A 74 -5.751 -16.462 -0.469 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.508 -15.397 -2.433 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.818 -14.457 -1.330 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.855 -13.480 -2.350 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.716 -13.721 -0.673 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.661 -14.675 0.351 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.038 -12.733 0.432 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.162 -11.783 -0.519 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.430 -12.489 2.330 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.988 -11.481 -0.649 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.360 -10.729 0.170 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.202 -11.525 3.373 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.480 -10.754 2.428 1.00 0.00 H new ATOM 85 N LYS A 75 -6.279 -15.369 -4.638 1.00 0.00 N ATOM 86 CA LYS A 75 -5.691 -15.610 -5.950 1.00 0.00 C ATOM 87 C LYS A 75 -4.339 -14.920 -6.060 1.00 0.00 C ATOM 88 O LYS A 75 -4.114 -13.871 -5.457 1.00 0.00 O ATOM 89 CB LYS A 75 -6.626 -15.075 -7.038 1.00 0.00 C ATOM 90 CG LYS A 75 -8.038 -15.637 -6.836 1.00 0.00 C ATOM 91 CD LYS A 75 -8.036 -17.153 -7.051 1.00 0.00 C ATOM 92 CE LYS A 75 -9.473 -17.654 -7.154 1.00 0.00 C ATOM 93 NZ LYS A 75 -10.158 -16.961 -8.279 1.00 0.00 N ATOM 0 H LYS A 75 -7.122 -14.796 -4.649 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.552 -16.683 -6.080 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.651 -13.986 -7.005 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.251 -15.356 -8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.390 -15.405 -5.831 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.729 -15.164 -7.533 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.487 -17.401 -7.959 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.526 -17.648 -6.225 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.483 -18.732 -7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.003 -17.467 -6.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.894 -17.581 -8.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.594 -16.083 -7.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.465 -16.734 -9.020 1.00 0.00 H new ATOM 107 N ILE A 76 -3.440 -15.524 -6.830 1.00 0.00 N ATOM 108 CA ILE A 76 -2.102 -14.972 -7.017 1.00 0.00 C ATOM 109 C ILE A 76 -2.078 -14.010 -8.200 1.00 0.00 C ATOM 110 O ILE A 76 -2.588 -14.319 -9.275 1.00 0.00 O ATOM 111 CB ILE A 76 -1.100 -16.101 -7.256 1.00 0.00 C ATOM 112 CG1 ILE A 76 -1.093 -17.038 -6.044 1.00 0.00 C ATOM 113 CG2 ILE A 76 0.297 -15.507 -7.451 1.00 0.00 C ATOM 114 CD1 ILE A 76 -0.287 -18.296 -6.377 1.00 0.00 C ATOM 0 H ILE A 76 -3.612 -16.394 -7.334 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.826 -14.426 -6.115 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.384 -16.661 -8.147 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.658 -16.532 -5.182 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.114 -17.308 -5.774 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.013 -16.311 -7.622 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.291 -14.838 -8.311 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.583 -14.949 -6.559 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.281 -18.963 -5.515 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.741 -18.805 -7.227 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.737 -18.017 -6.626 1.00 0.00 H new ATOM 126 N ALA A 77 -1.484 -12.840 -7.988 1.00 0.00 N ATOM 127 CA ALA A 77 -1.400 -11.834 -9.041 1.00 0.00 C ATOM 128 C ALA A 77 -0.654 -12.388 -10.252 1.00 0.00 C ATOM 129 O ALA A 77 0.057 -13.387 -10.147 1.00 0.00 O ATOM 130 CB ALA A 77 -0.676 -10.590 -8.523 1.00 0.00 C ATOM 0 H ALA A 77 -1.057 -12.566 -7.103 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.413 -11.566 -9.340 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.619 -9.845 -9.317 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.224 -10.176 -7.676 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.331 -10.861 -8.206 1.00 0.00 H new ATOM 136 N GLN A 78 -0.828 -11.738 -11.398 1.00 0.00 N ATOM 137 CA GLN A 78 -0.170 -12.186 -12.619 1.00 0.00 C ATOM 138 C GLN A 78 1.342 -12.238 -12.425 1.00 0.00 C ATOM 139 O GLN A 78 1.959 -11.259 -12.004 1.00 0.00 O ATOM 140 CB GLN A 78 -0.503 -11.232 -13.770 1.00 0.00 C ATOM 141 CG GLN A 78 -1.968 -11.405 -14.171 1.00 0.00 C ATOM 142 CD GLN A 78 -2.317 -10.447 -15.305 1.00 0.00 C ATOM 143 OE1 GLN A 78 -1.430 -9.977 -16.017 1.00 0.00 O ATOM 144 NE2 GLN A 78 -3.564 -10.131 -15.517 1.00 0.00 N ATOM 0 H GLN A 78 -1.412 -10.909 -11.507 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.530 -13.187 -12.857 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.318 -10.202 -13.467 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.145 -11.435 -14.623 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.148 -12.433 -14.485 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.613 -11.216 -13.313 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.297 -10.522 -14.925 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.807 -9.493 -16.275 1.00 0.00 H new ATOM 153 N MET A 79 1.931 -13.389 -12.735 1.00 0.00 N ATOM 154 CA MET A 79 3.373 -13.566 -12.595 1.00 0.00 C ATOM 155 C MET A 79 4.102 -13.050 -13.829 1.00 0.00 C ATOM 156 O MET A 79 3.580 -13.112 -14.943 1.00 0.00 O ATOM 157 CB MET A 79 3.695 -15.046 -12.389 1.00 0.00 C ATOM 158 CG MET A 79 3.191 -15.849 -13.589 1.00 0.00 C ATOM 159 SD MET A 79 3.378 -17.620 -13.256 1.00 0.00 S ATOM 160 CE MET A 79 1.913 -17.832 -12.212 1.00 0.00 C ATOM 0 H MET A 79 1.435 -14.210 -13.083 1.00 0.00 H new ATOM 0 HA MET A 79 3.708 -12.995 -11.729 1.00 0.00 H new ATOM 0 HB2 MET A 79 4.770 -15.182 -12.272 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.227 -15.407 -11.473 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.145 -15.614 -13.783 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.751 -15.576 -14.483 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.201 -18.302 -11.272 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.467 -16.858 -12.009 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.188 -18.463 -12.726 1.00 0.00 H new ATOM 170 N THR A 80 5.313 -12.546 -13.623 1.00 0.00 N ATOM 171 CA THR A 80 6.107 -12.024 -14.727 1.00 0.00 C ATOM 172 C THR A 80 6.706 -13.168 -15.539 1.00 0.00 C ATOM 173 O THR A 80 6.719 -14.317 -15.101 1.00 0.00 O ATOM 174 CB THR A 80 7.227 -11.131 -14.190 1.00 0.00 C ATOM 175 OG1 THR A 80 8.115 -11.912 -13.403 1.00 0.00 O ATOM 176 CG2 THR A 80 6.629 -10.016 -13.333 1.00 0.00 C ATOM 0 H THR A 80 5.763 -12.488 -12.710 1.00 0.00 H new ATOM 0 HA THR A 80 5.457 -11.435 -15.374 1.00 0.00 H new ATOM 0 HB THR A 80 7.772 -10.690 -15.025 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.835 -11.342 -13.059 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.429 -9.381 -12.952 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.948 -9.417 -13.938 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.083 -10.453 -12.497 1.00 0.00 H new ATOM 184 N GLU A 81 7.198 -12.843 -16.727 1.00 0.00 N ATOM 185 CA GLU A 81 7.796 -13.848 -17.602 1.00 0.00 C ATOM 186 C GLU A 81 9.014 -14.480 -16.939 1.00 0.00 C ATOM 187 O GLU A 81 9.251 -15.681 -17.069 1.00 0.00 O ATOM 188 CB GLU A 81 8.210 -13.200 -18.925 1.00 0.00 C ATOM 189 CG GLU A 81 6.962 -12.811 -19.724 1.00 0.00 C ATOM 190 CD GLU A 81 6.331 -11.554 -19.133 1.00 0.00 C ATOM 191 OE1 GLU A 81 6.986 -10.897 -18.343 1.00 0.00 O ATOM 192 OE2 GLU A 81 5.194 -11.269 -19.479 1.00 0.00 O ATOM 0 H GLU A 81 7.196 -11.897 -17.108 1.00 0.00 H new ATOM 0 HA GLU A 81 7.058 -14.627 -17.792 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.820 -12.317 -18.733 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.823 -13.892 -19.503 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.228 -12.638 -20.767 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.242 -13.629 -19.710 1.00 0.00 H new ATOM 199 N GLU A 82 9.788 -13.663 -16.236 1.00 0.00 N ATOM 200 CA GLU A 82 10.987 -14.153 -15.566 1.00 0.00 C ATOM 201 C GLU A 82 10.621 -15.190 -14.509 1.00 0.00 C ATOM 202 O GLU A 82 11.317 -16.192 -14.340 1.00 0.00 O ATOM 203 CB GLU A 82 11.723 -12.985 -14.905 1.00 0.00 C ATOM 204 CG GLU A 82 12.227 -12.022 -15.983 1.00 0.00 C ATOM 205 CD GLU A 82 13.299 -12.698 -16.829 1.00 0.00 C ATOM 206 OE1 GLU A 82 13.848 -13.687 -16.373 1.00 0.00 O ATOM 207 OE2 GLU A 82 13.555 -12.217 -17.921 1.00 0.00 O ATOM 0 H GLU A 82 9.610 -12.666 -16.115 1.00 0.00 H new ATOM 0 HA GLU A 82 11.635 -14.620 -16.308 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.056 -12.463 -14.219 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.560 -13.357 -14.314 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.398 -11.707 -16.616 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.633 -11.123 -15.518 1.00 0.00 H new ATOM 214 N GLU A 83 9.525 -14.943 -13.802 1.00 0.00 N ATOM 215 CA GLU A 83 9.068 -15.862 -12.768 1.00 0.00 C ATOM 216 C GLU A 83 8.678 -17.205 -13.380 1.00 0.00 C ATOM 217 O GLU A 83 8.939 -18.260 -12.802 1.00 0.00 O ATOM 218 CB GLU A 83 7.876 -15.265 -12.023 1.00 0.00 C ATOM 219 CG GLU A 83 7.468 -16.195 -10.878 1.00 0.00 C ATOM 220 CD GLU A 83 6.322 -15.576 -10.087 1.00 0.00 C ATOM 221 OE1 GLU A 83 6.162 -14.368 -10.160 1.00 0.00 O ATOM 222 OE2 GLU A 83 5.617 -16.317 -9.423 1.00 0.00 O ATOM 0 H GLU A 83 8.939 -14.118 -13.925 1.00 0.00 H new ATOM 0 HA GLU A 83 9.885 -16.022 -12.064 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.135 -14.281 -11.631 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.039 -15.126 -12.707 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.165 -17.164 -11.276 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.320 -16.372 -10.221 1.00 0.00 H new ATOM 229 N GLN A 84 8.049 -17.162 -14.549 1.00 0.00 N ATOM 230 CA GLN A 84 7.627 -18.389 -15.216 1.00 0.00 C ATOM 231 C GLN A 84 8.830 -19.270 -15.527 1.00 0.00 C ATOM 232 O GLN A 84 8.791 -20.484 -15.319 1.00 0.00 O ATOM 233 CB GLN A 84 6.898 -18.043 -16.519 1.00 0.00 C ATOM 234 CG GLN A 84 5.513 -17.467 -16.204 1.00 0.00 C ATOM 235 CD GLN A 84 4.540 -18.598 -15.890 1.00 0.00 C ATOM 236 OE1 GLN A 84 4.962 -19.714 -15.586 1.00 0.00 O ATOM 237 NE2 GLN A 84 3.256 -18.380 -15.963 1.00 0.00 N ATOM 0 H GLN A 84 7.822 -16.303 -15.050 1.00 0.00 H new ATOM 0 HA GLN A 84 6.955 -18.933 -14.551 1.00 0.00 H new ATOM 0 HB2 GLN A 84 7.480 -17.321 -17.091 1.00 0.00 H new ATOM 0 HB3 GLN A 84 6.799 -18.935 -17.138 1.00 0.00 H new ATOM 0 HG2 GLN A 84 5.577 -16.785 -15.356 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.149 -16.887 -17.052 1.00 0.00 H new ATOM 0 HE21 GLN A 84 2.909 -17.454 -16.215 1.00 0.00 H new ATOM 0 HE22 GLN A 84 2.599 -19.135 -15.768 1.00 0.00 H new ATOM 246 N PHE A 85 9.900 -18.657 -16.017 1.00 0.00 N ATOM 247 CA PHE A 85 11.111 -19.406 -16.338 1.00 0.00 C ATOM 248 C PHE A 85 11.684 -20.060 -15.081 1.00 0.00 C ATOM 249 O PHE A 85 12.016 -21.248 -15.070 1.00 0.00 O ATOM 250 CB PHE A 85 12.148 -18.466 -16.957 1.00 0.00 C ATOM 251 CG PHE A 85 13.423 -19.233 -17.217 1.00 0.00 C ATOM 252 CD1 PHE A 85 13.483 -20.150 -18.272 1.00 0.00 C ATOM 253 CD2 PHE A 85 14.547 -19.023 -16.408 1.00 0.00 C ATOM 254 CE1 PHE A 85 14.664 -20.861 -18.517 1.00 0.00 C ATOM 255 CE2 PHE A 85 15.727 -19.734 -16.651 1.00 0.00 C ATOM 256 CZ PHE A 85 15.787 -20.653 -17.706 1.00 0.00 C ATOM 0 H PHE A 85 9.956 -17.655 -16.200 1.00 0.00 H new ATOM 0 HA PHE A 85 10.861 -20.190 -17.053 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.766 -18.046 -17.888 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.344 -17.629 -16.287 1.00 0.00 H new ATOM 0 HD1 PHE A 85 12.618 -20.310 -18.898 1.00 0.00 H new ATOM 0 HD2 PHE A 85 14.503 -18.312 -15.596 1.00 0.00 H new ATOM 0 HE1 PHE A 85 14.709 -21.569 -19.331 1.00 0.00 H new ATOM 0 HE2 PHE A 85 16.592 -19.574 -16.025 1.00 0.00 H new ATOM 0 HZ PHE A 85 16.698 -21.201 -17.894 1.00 0.00 H new ATOM 266 N ALA A 86 11.790 -19.272 -14.016 1.00 0.00 N ATOM 267 CA ALA A 86 12.314 -19.775 -12.755 1.00 0.00 C ATOM 268 C ALA A 86 11.413 -20.872 -12.205 1.00 0.00 C ATOM 269 O ALA A 86 11.886 -21.861 -11.647 1.00 0.00 O ATOM 270 CB ALA A 86 12.425 -18.639 -11.739 1.00 0.00 C ATOM 0 H ALA A 86 11.521 -18.288 -14.002 1.00 0.00 H new ATOM 0 HA ALA A 86 13.305 -20.191 -12.935 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.818 -19.028 -10.800 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.097 -17.871 -12.123 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.439 -18.206 -11.568 1.00 0.00 H new ATOM 276 N LEU A 87 10.108 -20.683 -12.357 1.00 0.00 N ATOM 277 CA LEU A 87 9.148 -21.655 -11.860 1.00 0.00 C ATOM 278 C LEU A 87 9.355 -23.004 -12.537 1.00 0.00 C ATOM 279 O LEU A 87 9.298 -24.051 -11.890 1.00 0.00 O ATOM 280 CB LEU A 87 7.719 -21.168 -12.126 1.00 0.00 C ATOM 281 CG LEU A 87 6.704 -22.185 -11.579 1.00 0.00 C ATOM 282 CD1 LEU A 87 6.877 -22.327 -10.056 1.00 0.00 C ATOM 283 CD2 LEU A 87 5.285 -21.705 -11.895 1.00 0.00 C ATOM 0 H LEU A 87 9.695 -19.872 -12.817 1.00 0.00 H new ATOM 0 HA LEU A 87 9.300 -21.768 -10.787 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.563 -20.198 -11.654 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.567 -21.030 -13.196 1.00 0.00 H new ATOM 0 HG LEU A 87 6.873 -23.154 -12.048 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.155 -23.049 -9.674 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.887 -22.672 -9.835 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.711 -21.361 -9.579 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.563 -22.424 -11.508 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.117 -20.735 -11.428 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.164 -21.614 -12.974 1.00 0.00 H new ATOM 295 N ALA A 88 9.589 -22.974 -13.843 1.00 0.00 N ATOM 296 CA ALA A 88 9.790 -24.203 -14.595 1.00 0.00 C ATOM 297 C ALA A 88 10.994 -24.961 -14.052 1.00 0.00 C ATOM 298 O ALA A 88 10.971 -26.186 -13.941 1.00 0.00 O ATOM 299 CB ALA A 88 10.012 -23.872 -16.072 1.00 0.00 C ATOM 0 H ALA A 88 9.644 -22.120 -14.398 1.00 0.00 H new ATOM 0 HA ALA A 88 8.904 -24.829 -14.493 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.162 -24.794 -16.633 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.140 -23.348 -16.462 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.892 -23.238 -16.174 1.00 0.00 H new ATOM 305 N LEU A 89 12.044 -24.227 -13.713 1.00 0.00 N ATOM 306 CA LEU A 89 13.250 -24.848 -13.174 1.00 0.00 C ATOM 307 C LEU A 89 12.957 -25.535 -11.846 1.00 0.00 C ATOM 308 O LEU A 89 13.471 -26.618 -11.566 1.00 0.00 O ATOM 309 CB LEU A 89 14.337 -23.795 -12.975 1.00 0.00 C ATOM 310 CG LEU A 89 14.830 -23.295 -14.339 1.00 0.00 C ATOM 311 CD1 LEU A 89 15.755 -22.091 -14.136 1.00 0.00 C ATOM 312 CD2 LEU A 89 15.592 -24.418 -15.078 1.00 0.00 C ATOM 0 H LEU A 89 12.088 -23.212 -13.799 1.00 0.00 H new ATOM 0 HA LEU A 89 13.595 -25.597 -13.887 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.947 -22.962 -12.391 1.00 0.00 H new ATOM 0 HB3 LEU A 89 15.168 -24.218 -12.410 1.00 0.00 H new ATOM 0 HG LEU A 89 13.971 -23.000 -14.941 1.00 0.00 H new ATOM 0 HD11 LEU A 89 16.106 -21.735 -15.104 1.00 0.00 H new ATOM 0 HD12 LEU A 89 15.209 -21.294 -13.632 1.00 0.00 H new ATOM 0 HD13 LEU A 89 16.609 -22.387 -13.527 1.00 0.00 H new ATOM 0 HD21 LEU A 89 15.936 -24.049 -16.044 1.00 0.00 H new ATOM 0 HD22 LEU A 89 16.450 -24.729 -14.482 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.928 -25.269 -15.230 1.00 0.00 H new ATOM 324 N LYS A 90 12.125 -24.902 -11.030 1.00 0.00 N ATOM 325 CA LYS A 90 11.773 -25.464 -9.733 1.00 0.00 C ATOM 326 C LYS A 90 11.025 -26.779 -9.909 1.00 0.00 C ATOM 327 O LYS A 90 11.239 -27.731 -9.158 1.00 0.00 O ATOM 328 CB LYS A 90 10.900 -24.476 -8.957 1.00 0.00 C ATOM 329 CG LYS A 90 11.743 -23.267 -8.547 1.00 0.00 C ATOM 330 CD LYS A 90 10.870 -22.277 -7.775 1.00 0.00 C ATOM 331 CE LYS A 90 11.710 -21.069 -7.363 1.00 0.00 C ATOM 332 NZ LYS A 90 10.856 -20.103 -6.614 1.00 0.00 N ATOM 0 H LYS A 90 11.684 -24.006 -11.240 1.00 0.00 H new ATOM 0 HA LYS A 90 12.690 -25.652 -9.175 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.059 -24.155 -9.572 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.482 -24.959 -8.073 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.582 -23.587 -7.929 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.163 -22.786 -9.430 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.032 -21.956 -8.393 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.449 -22.759 -6.892 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.547 -21.389 -6.742 1.00 0.00 H new ATOM 0 HE3 LYS A 90 12.133 -20.589 -8.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.427 -19.280 -6.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.072 -19.789 -7.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.473 -20.565 -5.765 1.00 0.00 H new ATOM 346 N MET A 91 10.154 -26.831 -10.907 1.00 0.00 N ATOM 347 CA MET A 91 9.386 -28.041 -11.175 1.00 0.00 C ATOM 348 C MET A 91 10.312 -29.191 -11.544 1.00 0.00 C ATOM 349 O MET A 91 10.124 -30.320 -11.091 1.00 0.00 O ATOM 350 CB MET A 91 8.391 -27.779 -12.318 1.00 0.00 C ATOM 351 CG MET A 91 7.133 -27.094 -11.776 1.00 0.00 C ATOM 352 SD MET A 91 7.593 -25.805 -10.589 1.00 0.00 S ATOM 353 CE MET A 91 6.186 -26.016 -9.470 1.00 0.00 C ATOM 0 H MET A 91 9.962 -26.056 -11.541 1.00 0.00 H new ATOM 0 HA MET A 91 8.837 -28.316 -10.274 1.00 0.00 H new ATOM 0 HB2 MET A 91 8.856 -27.152 -13.079 1.00 0.00 H new ATOM 0 HB3 MET A 91 8.123 -28.719 -12.800 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.564 -26.658 -12.597 1.00 0.00 H new ATOM 0 HG3 MET A 91 6.487 -27.829 -11.296 1.00 0.00 H new ATOM 0 HE1 MET A 91 6.303 -25.357 -8.610 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.263 -25.768 -9.995 1.00 0.00 H new ATOM 0 HE3 MET A 91 6.143 -27.051 -9.130 1.00 0.00 H new ATOM 363 N SER A 92 11.312 -28.899 -12.364 1.00 0.00 N ATOM 364 CA SER A 92 12.256 -29.926 -12.776 1.00 0.00 C ATOM 365 C SER A 92 13.017 -30.461 -11.567 1.00 0.00 C ATOM 366 O SER A 92 13.268 -31.663 -11.456 1.00 0.00 O ATOM 367 CB SER A 92 13.243 -29.343 -13.788 1.00 0.00 C ATOM 368 OG SER A 92 13.980 -28.293 -13.172 1.00 0.00 O ATOM 0 H SER A 92 11.489 -27.972 -12.752 1.00 0.00 H new ATOM 0 HA SER A 92 11.705 -30.746 -13.237 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.921 -30.120 -14.142 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.708 -28.965 -14.659 1.00 0.00 H new ATOM 0 HG SER A 92 13.396 -27.798 -12.560 1.00 0.00 H new ATOM 374 N GLU A 93 13.380 -29.561 -10.662 1.00 0.00 N ATOM 375 CA GLU A 93 14.111 -29.952 -9.464 1.00 0.00 C ATOM 376 C GLU A 93 13.238 -30.814 -8.554 1.00 0.00 C ATOM 377 O GLU A 93 13.701 -31.800 -7.982 1.00 0.00 O ATOM 378 CB GLU A 93 14.577 -28.708 -8.704 1.00 0.00 C ATOM 379 CG GLU A 93 15.412 -29.120 -7.484 1.00 0.00 C ATOM 380 CD GLU A 93 16.667 -29.858 -7.941 1.00 0.00 C ATOM 381 OE1 GLU A 93 17.070 -29.653 -9.074 1.00 0.00 O ATOM 382 OE2 GLU A 93 17.202 -30.620 -7.154 1.00 0.00 O ATOM 0 H GLU A 93 13.182 -28.563 -10.734 1.00 0.00 H new ATOM 0 HA GLU A 93 14.979 -30.536 -9.769 1.00 0.00 H new ATOM 0 HB2 GLU A 93 15.168 -28.071 -9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.715 -28.123 -8.384 1.00 0.00 H new ATOM 0 HG2 GLU A 93 15.688 -28.238 -6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 93 14.822 -29.759 -6.827 1.00 0.00 H new ATOM 389 N GLN A 94 11.973 -30.431 -8.418 1.00 0.00 N ATOM 390 CA GLN A 94 11.052 -31.174 -7.567 1.00 0.00 C ATOM 391 C GLN A 94 10.877 -32.595 -8.089 1.00 0.00 C ATOM 392 O GLN A 94 10.842 -33.549 -7.315 1.00 0.00 O ATOM 393 CB GLN A 94 9.696 -30.468 -7.531 1.00 0.00 C ATOM 394 CG GLN A 94 9.815 -29.167 -6.736 1.00 0.00 C ATOM 395 CD GLN A 94 8.569 -28.314 -6.943 1.00 0.00 C ATOM 396 OE1 GLN A 94 7.795 -28.558 -7.869 1.00 0.00 O ATOM 397 NE2 GLN A 94 8.331 -27.316 -6.136 1.00 0.00 N ATOM 0 H GLN A 94 11.565 -29.619 -8.881 1.00 0.00 H new ATOM 0 HA GLN A 94 11.465 -31.218 -6.559 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.358 -30.256 -8.545 1.00 0.00 H new ATOM 0 HB3 GLN A 94 8.949 -31.117 -7.075 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.942 -29.389 -5.676 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.700 -28.616 -7.055 1.00 0.00 H new ATOM 0 HE21 GLN A 94 8.973 -27.116 -5.369 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.503 -26.737 -6.272 1.00 0.00 H new ATOM 406 N GLU A 95 10.779 -32.733 -9.405 1.00 0.00 N ATOM 407 CA GLU A 95 10.612 -34.050 -10.008 1.00 0.00 C ATOM 408 C GLU A 95 11.806 -34.939 -9.686 1.00 0.00 C ATOM 409 O GLU A 95 11.650 -36.124 -9.391 1.00 0.00 O ATOM 410 CB GLU A 95 10.466 -33.911 -11.523 1.00 0.00 C ATOM 411 CG GLU A 95 9.105 -33.296 -11.851 1.00 0.00 C ATOM 412 CD GLU A 95 9.032 -32.955 -13.335 1.00 0.00 C ATOM 413 OE1 GLU A 95 10.069 -32.961 -13.975 1.00 0.00 O ATOM 414 OE2 GLU A 95 7.939 -32.694 -13.809 1.00 0.00 O ATOM 0 H GLU A 95 10.812 -31.959 -10.069 1.00 0.00 H new ATOM 0 HA GLU A 95 9.713 -34.510 -9.598 1.00 0.00 H new ATOM 0 HB2 GLU A 95 11.265 -33.285 -11.920 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.560 -34.887 -11.999 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.309 -33.993 -11.590 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.950 -32.397 -11.255 1.00 0.00 H new ATOM 421 N ALA A 96 12.999 -34.360 -9.738 1.00 0.00 N ATOM 422 CA ALA A 96 14.212 -35.107 -9.440 1.00 0.00 C ATOM 423 C ALA A 96 14.216 -35.571 -7.986 1.00 0.00 C ATOM 424 O ALA A 96 14.663 -36.673 -7.673 1.00 0.00 O ATOM 425 CB ALA A 96 15.441 -34.236 -9.705 1.00 0.00 C ATOM 0 H ALA A 96 13.151 -33.381 -9.982 1.00 0.00 H new ATOM 0 HA ALA A 96 14.243 -35.984 -10.087 1.00 0.00 H new ATOM 0 HB1 ALA A 96 16.344 -34.803 -9.479 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.454 -33.934 -10.752 1.00 0.00 H new ATOM 0 HB3 ALA A 96 15.402 -33.349 -9.072 1.00 0.00 H new ATOM 431 N ARG A 97 13.725 -34.714 -7.097 1.00 0.00 N ATOM 432 CA ARG A 97 13.689 -35.038 -5.671 1.00 0.00 C ATOM 433 C ARG A 97 12.488 -35.917 -5.345 1.00 0.00 C ATOM 434 O ARG A 97 12.472 -36.607 -4.328 1.00 0.00 O ATOM 435 CB ARG A 97 13.618 -33.746 -4.855 1.00 0.00 C ATOM 436 CG ARG A 97 14.828 -32.861 -5.176 1.00 0.00 C ATOM 437 CD ARG A 97 16.094 -33.430 -4.524 1.00 0.00 C ATOM 438 NE ARG A 97 17.195 -32.487 -4.660 1.00 0.00 N ATOM 439 CZ ARG A 97 17.360 -31.494 -3.796 1.00 0.00 C ATOM 440 NH1 ARG A 97 16.525 -31.348 -2.805 1.00 0.00 N ATOM 441 NH2 ARG A 97 18.358 -30.668 -3.937 1.00 0.00 N ATOM 0 H ARG A 97 13.349 -33.796 -7.334 1.00 0.00 H new ATOM 0 HA ARG A 97 14.596 -35.586 -5.416 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.695 -33.212 -5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 97 13.598 -33.978 -3.790 1.00 0.00 H new ATOM 0 HG2 ARG A 97 14.964 -32.798 -6.256 1.00 0.00 H new ATOM 0 HG3 ARG A 97 14.651 -31.847 -4.817 1.00 0.00 H new ATOM 0 HD2 ARG A 97 15.909 -33.635 -3.470 1.00 0.00 H new ATOM 0 HD3 ARG A 97 16.358 -34.379 -4.991 1.00 0.00 H new ATOM 0 HE ARG A 97 17.851 -32.592 -5.434 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.746 -31.997 -2.695 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.651 -30.585 -2.140 1.00 0.00 H new ATOM 0 HH21 ARG A 97 19.012 -30.785 -4.711 1.00 0.00 H new ATOM 0 HH22 ARG A 97 18.486 -29.904 -3.273 1.00 0.00 H new ATOM 455 N GLU A 98 11.488 -35.887 -6.216 1.00 0.00 N ATOM 456 CA GLU A 98 10.278 -36.685 -6.023 1.00 0.00 C ATOM 457 C GLU A 98 10.450 -38.072 -6.628 1.00 0.00 C ATOM 458 O GLU A 98 9.491 -38.832 -6.739 1.00 0.00 O ATOM 459 CB GLU A 98 9.061 -35.975 -6.646 1.00 0.00 C ATOM 460 CG GLU A 98 8.372 -35.093 -5.600 1.00 0.00 C ATOM 461 CD GLU A 98 9.380 -34.150 -4.951 1.00 0.00 C ATOM 462 OE1 GLU A 98 9.971 -34.541 -3.958 1.00 0.00 O ATOM 463 OE2 GLU A 98 9.548 -33.053 -5.455 1.00 0.00 O ATOM 0 H GLU A 98 11.488 -35.320 -7.064 1.00 0.00 H new ATOM 0 HA GLU A 98 10.105 -36.795 -4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.379 -35.367 -7.493 1.00 0.00 H new ATOM 0 HB3 GLU A 98 8.357 -36.713 -7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.575 -34.516 -6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.906 -35.718 -4.838 1.00 0.00 H new ATOM 470 N VAL A 99 11.672 -38.393 -7.013 1.00 0.00 N ATOM 471 CA VAL A 99 11.942 -39.696 -7.605 1.00 0.00 C ATOM 472 C VAL A 99 11.614 -40.795 -6.603 1.00 0.00 C ATOM 473 O VAL A 99 11.980 -40.708 -5.432 1.00 0.00 O ATOM 474 CB VAL A 99 13.415 -39.797 -8.014 1.00 0.00 C ATOM 475 CG1 VAL A 99 13.727 -41.229 -8.468 1.00 0.00 C ATOM 476 CG2 VAL A 99 13.697 -38.822 -9.167 1.00 0.00 C ATOM 0 H VAL A 99 12.484 -37.782 -6.929 1.00 0.00 H new ATOM 0 HA VAL A 99 11.319 -39.815 -8.491 1.00 0.00 H new ATOM 0 HB VAL A 99 14.044 -39.542 -7.161 1.00 0.00 H new ATOM 0 HG11 VAL A 99 14.775 -41.298 -8.758 1.00 0.00 H new ATOM 0 HG12 VAL A 99 13.531 -41.921 -7.649 1.00 0.00 H new ATOM 0 HG13 VAL A 99 13.097 -41.486 -9.319 1.00 0.00 H new ATOM 0 HG21 VAL A 99 14.745 -38.895 -9.457 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.066 -39.074 -10.019 1.00 0.00 H new ATOM 0 HG23 VAL A 99 13.480 -37.804 -8.844 1.00 0.00 H new ATOM 486 N ASN A 100 10.915 -41.826 -7.065 1.00 0.00 N ATOM 487 CA ASN A 100 10.540 -42.917 -6.180 1.00 0.00 C ATOM 488 C ASN A 100 11.778 -43.491 -5.502 1.00 0.00 C ATOM 489 O ASN A 100 12.781 -43.783 -6.153 1.00 0.00 O ATOM 490 CB ASN A 100 9.833 -44.021 -6.969 1.00 0.00 C ATOM 491 CG ASN A 100 8.453 -43.546 -7.414 1.00 0.00 C ATOM 492 OD1 ASN A 100 7.914 -42.590 -6.852 1.00 0.00 O ATOM 493 ND2 ASN A 100 7.846 -44.158 -8.391 1.00 0.00 N ATOM 0 H ASN A 100 10.602 -41.927 -8.031 1.00 0.00 H new ATOM 0 HA ASN A 100 9.861 -42.528 -5.421 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.429 -44.296 -7.839 1.00 0.00 H new ATOM 0 HB3 ASN A 100 9.737 -44.915 -6.353 1.00 0.00 H new ATOM 0 HD21 ASN A 100 6.923 -43.847 -8.693 1.00 0.00 H new ATOM 0 HD22 ASN A 100 8.294 -44.949 -8.854 1.00 0.00 H new ATOM 500 N SER A 101 11.693 -43.644 -4.187 1.00 0.00 N ATOM 501 CA SER A 101 12.801 -44.183 -3.410 1.00 0.00 C ATOM 502 C SER A 101 13.029 -45.648 -3.761 1.00 0.00 C ATOM 503 O SER A 101 14.107 -46.197 -3.533 1.00 0.00 O ATOM 504 CB SER A 101 12.510 -44.048 -1.920 1.00 0.00 C ATOM 505 OG SER A 101 11.440 -44.919 -1.571 1.00 0.00 O ATOM 0 H SER A 101 10.869 -43.403 -3.637 1.00 0.00 H new ATOM 0 HA SER A 101 13.702 -43.618 -3.650 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.399 -44.294 -1.340 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.249 -43.017 -1.680 1.00 0.00 H new ATOM 0 HG SER A 101 11.250 -44.837 -0.613 1.00 0.00 H new ATOM 511 N GLN A 102 11.998 -46.275 -4.311 1.00 0.00 N ATOM 512 CA GLN A 102 12.076 -47.679 -4.688 1.00 0.00 C ATOM 513 C GLN A 102 13.166 -47.891 -5.733 1.00 0.00 C ATOM 514 O GLN A 102 13.772 -48.959 -5.800 1.00 0.00 O ATOM 515 CB GLN A 102 10.732 -48.156 -5.245 1.00 0.00 C ATOM 516 CG GLN A 102 10.791 -49.664 -5.505 1.00 0.00 C ATOM 517 CD GLN A 102 9.423 -50.169 -5.946 1.00 0.00 C ATOM 518 OE1 GLN A 102 8.634 -49.414 -6.514 1.00 0.00 O ATOM 519 NE2 GLN A 102 9.092 -51.412 -5.720 1.00 0.00 N ATOM 0 H GLN A 102 11.099 -45.834 -4.506 1.00 0.00 H new ATOM 0 HA GLN A 102 12.320 -48.258 -3.797 1.00 0.00 H new ATOM 0 HB2 GLN A 102 9.933 -47.929 -4.539 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.501 -47.626 -6.169 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.533 -49.880 -6.274 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.107 -50.185 -4.601 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.747 -52.037 -5.249 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.179 -51.758 -6.014 1.00 0.00 H new ATOM 528 N GLU A 103 13.404 -46.873 -6.554 1.00 0.00 N ATOM 529 CA GLU A 103 14.417 -46.978 -7.595 1.00 0.00 C ATOM 530 C GLU A 103 15.793 -47.223 -6.984 1.00 0.00 C ATOM 531 O GLU A 103 16.558 -48.053 -7.472 1.00 0.00 O ATOM 532 CB GLU A 103 14.445 -45.679 -8.412 1.00 0.00 C ATOM 533 CG GLU A 103 15.463 -45.806 -9.548 1.00 0.00 C ATOM 534 CD GLU A 103 15.443 -44.552 -10.412 1.00 0.00 C ATOM 535 OE1 GLU A 103 14.725 -43.627 -10.066 1.00 0.00 O ATOM 536 OE2 GLU A 103 16.143 -44.534 -11.410 1.00 0.00 O ATOM 0 H GLU A 103 12.916 -45.978 -6.519 1.00 0.00 H new ATOM 0 HA GLU A 103 14.168 -47.819 -8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.455 -45.473 -8.819 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.706 -44.839 -7.769 1.00 0.00 H new ATOM 0 HG2 GLU A 103 16.461 -45.958 -9.137 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.233 -46.680 -10.157 1.00 0.00 H new ATOM 543 N GLU A 104 16.102 -46.504 -5.912 1.00 0.00 N ATOM 544 CA GLU A 104 17.387 -46.665 -5.238 1.00 0.00 C ATOM 545 C GLU A 104 17.443 -48.002 -4.501 1.00 0.00 C ATOM 546 O GLU A 104 18.483 -48.666 -4.451 1.00 0.00 O ATOM 547 CB GLU A 104 17.605 -45.522 -4.250 1.00 0.00 C ATOM 548 CG GLU A 104 17.794 -44.208 -5.016 1.00 0.00 C ATOM 549 CD GLU A 104 16.455 -43.725 -5.562 1.00 0.00 C ATOM 550 OE1 GLU A 104 15.438 -44.203 -5.089 1.00 0.00 O ATOM 551 OE2 GLU A 104 16.466 -42.888 -6.449 1.00 0.00 O ATOM 0 H GLU A 104 15.486 -45.808 -5.492 1.00 0.00 H new ATOM 0 HA GLU A 104 18.176 -46.647 -5.990 1.00 0.00 H new ATOM 0 HB2 GLU A 104 16.752 -45.442 -3.577 1.00 0.00 H new ATOM 0 HB3 GLU A 104 18.480 -45.724 -3.633 1.00 0.00 H new ATOM 0 HG2 GLU A 104 18.221 -43.452 -4.357 1.00 0.00 H new ATOM 0 HG3 GLU A 104 18.499 -44.353 -5.835 1.00 0.00 H new ATOM 558 N GLU A 105 16.313 -48.388 -3.926 1.00 0.00 N ATOM 559 CA GLU A 105 16.232 -49.634 -3.180 1.00 0.00 C ATOM 560 C GLU A 105 16.535 -50.812 -4.095 1.00 0.00 C ATOM 561 O GLU A 105 17.152 -51.787 -3.678 1.00 0.00 O ATOM 562 CB GLU A 105 14.835 -49.799 -2.579 1.00 0.00 C ATOM 563 CG GLU A 105 14.628 -48.764 -1.471 1.00 0.00 C ATOM 564 CD GLU A 105 13.193 -48.826 -0.958 1.00 0.00 C ATOM 565 OE1 GLU A 105 12.390 -49.496 -1.585 1.00 0.00 O ATOM 566 OE2 GLU A 105 12.919 -48.200 0.052 1.00 0.00 O ATOM 0 H GLU A 105 15.442 -47.858 -3.962 1.00 0.00 H new ATOM 0 HA GLU A 105 16.967 -49.606 -2.375 1.00 0.00 H new ATOM 0 HB2 GLU A 105 14.078 -49.674 -3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 105 14.717 -50.805 -2.177 1.00 0.00 H new ATOM 0 HG2 GLU A 105 15.323 -48.952 -0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 105 14.844 -47.765 -1.850 1.00 0.00 H new ATOM 573 N GLU A 106 16.103 -50.716 -5.343 1.00 0.00 N ATOM 574 CA GLU A 106 16.338 -51.789 -6.297 1.00 0.00 C ATOM 575 C GLU A 106 17.836 -52.033 -6.455 1.00 0.00 C ATOM 576 O GLU A 106 18.280 -53.178 -6.549 1.00 0.00 O ATOM 577 CB GLU A 106 15.733 -51.419 -7.655 1.00 0.00 C ATOM 578 CG GLU A 106 15.920 -52.572 -8.650 1.00 0.00 C ATOM 579 CD GLU A 106 15.152 -53.797 -8.169 1.00 0.00 C ATOM 580 OE1 GLU A 106 14.236 -53.625 -7.382 1.00 0.00 O ATOM 581 OE2 GLU A 106 15.494 -54.890 -8.592 1.00 0.00 O ATOM 0 H GLU A 106 15.593 -49.915 -5.716 1.00 0.00 H new ATOM 0 HA GLU A 106 15.866 -52.699 -5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.672 -51.196 -7.540 1.00 0.00 H new ATOM 0 HB3 GLU A 106 16.208 -50.517 -8.039 1.00 0.00 H new ATOM 0 HG2 GLU A 106 15.566 -52.274 -9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 106 16.979 -52.811 -8.749 1.00 0.00 H new ATOM 588 N GLU A 107 18.610 -50.954 -6.483 1.00 0.00 N ATOM 589 CA GLU A 107 20.054 -51.073 -6.628 1.00 0.00 C ATOM 590 C GLU A 107 20.662 -51.792 -5.428 1.00 0.00 C ATOM 591 O GLU A 107 21.572 -52.608 -5.577 1.00 0.00 O ATOM 592 CB GLU A 107 20.679 -49.683 -6.759 1.00 0.00 C ATOM 593 CG GLU A 107 20.307 -49.085 -8.115 1.00 0.00 C ATOM 594 CD GLU A 107 20.757 -47.630 -8.184 1.00 0.00 C ATOM 595 OE1 GLU A 107 21.140 -47.099 -7.155 1.00 0.00 O ATOM 596 OE2 GLU A 107 20.710 -47.066 -9.266 1.00 0.00 O ATOM 0 H GLU A 107 18.266 -49.997 -6.408 1.00 0.00 H new ATOM 0 HA GLU A 107 20.261 -51.655 -7.526 1.00 0.00 H new ATOM 0 HB2 GLU A 107 20.327 -49.037 -5.955 1.00 0.00 H new ATOM 0 HB3 GLU A 107 21.763 -49.749 -6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 107 20.776 -49.658 -8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 107 19.229 -49.149 -8.267 1.00 0.00 H new ATOM 603 N GLU A 108 20.162 -51.478 -4.236 1.00 0.00 N ATOM 604 CA GLU A 108 20.687 -52.101 -3.024 1.00 0.00 C ATOM 605 C GLU A 108 20.466 -53.612 -3.050 1.00 0.00 C ATOM 606 O GLU A 108 21.369 -54.383 -2.735 1.00 0.00 O ATOM 607 CB GLU A 108 19.999 -51.504 -1.789 1.00 0.00 C ATOM 608 CG GLU A 108 20.583 -52.119 -0.511 1.00 0.00 C ATOM 609 CD GLU A 108 22.063 -51.772 -0.394 1.00 0.00 C ATOM 610 OE1 GLU A 108 22.462 -50.777 -0.975 1.00 0.00 O ATOM 611 OE2 GLU A 108 22.776 -52.509 0.266 1.00 0.00 O ATOM 0 H GLU A 108 19.408 -50.808 -4.084 1.00 0.00 H new ATOM 0 HA GLU A 108 21.758 -51.906 -2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 108 20.133 -50.422 -1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 108 18.926 -51.691 -1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 108 20.044 -51.747 0.360 1.00 0.00 H new ATOM 0 HG3 GLU A 108 20.455 -53.201 -0.527 1.00 0.00 H new ATOM 618 N LEU A 109 19.265 -54.028 -3.423 1.00 0.00 N ATOM 619 CA LEU A 109 18.951 -55.451 -3.474 1.00 0.00 C ATOM 620 C LEU A 109 19.813 -56.147 -4.512 1.00 0.00 C ATOM 621 O LEU A 109 20.262 -57.272 -4.305 1.00 0.00 O ATOM 622 CB LEU A 109 17.459 -55.645 -3.796 1.00 0.00 C ATOM 623 CG LEU A 109 16.641 -55.668 -2.492 1.00 0.00 C ATOM 624 CD1 LEU A 109 16.950 -56.956 -1.689 1.00 0.00 C ATOM 625 CD2 LEU A 109 16.988 -54.429 -1.644 1.00 0.00 C ATOM 0 H LEU A 109 18.499 -53.410 -3.692 1.00 0.00 H new ATOM 0 HA LEU A 109 19.163 -55.895 -2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 109 17.109 -54.839 -4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 109 17.314 -56.577 -4.343 1.00 0.00 H new ATOM 0 HG LEU A 109 15.579 -55.654 -2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 109 16.365 -56.960 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 109 16.691 -57.829 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 109 18.012 -56.986 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 109 16.408 -54.446 -0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 109 18.051 -54.438 -1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 109 16.750 -53.526 -2.205 1.00 0.00 H new ATOM 637 N LEU A 110 20.033 -55.482 -5.630 1.00 0.00 N ATOM 638 CA LEU A 110 20.828 -56.075 -6.686 1.00 0.00 C ATOM 639 C LEU A 110 22.258 -56.311 -6.209 1.00 0.00 C ATOM 640 O LEU A 110 22.844 -57.367 -6.452 1.00 0.00 O ATOM 641 CB LEU A 110 20.829 -55.145 -7.915 1.00 0.00 C ATOM 642 CG LEU A 110 20.907 -55.976 -9.203 1.00 0.00 C ATOM 643 CD1 LEU A 110 22.143 -56.893 -9.149 1.00 0.00 C ATOM 644 CD2 LEU A 110 19.620 -56.827 -9.360 1.00 0.00 C ATOM 0 H LEU A 110 19.679 -54.546 -5.828 1.00 0.00 H new ATOM 0 HA LEU A 110 20.392 -57.036 -6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 110 19.926 -54.535 -7.920 1.00 0.00 H new ATOM 0 HB3 LEU A 110 21.676 -54.460 -7.862 1.00 0.00 H new ATOM 0 HG LEU A 110 20.994 -55.308 -10.060 1.00 0.00 H new ATOM 0 HD11 LEU A 110 22.198 -57.483 -10.064 1.00 0.00 H new ATOM 0 HD12 LEU A 110 23.043 -56.285 -9.054 1.00 0.00 H new ATOM 0 HD13 LEU A 110 22.064 -57.560 -8.291 1.00 0.00 H new ATOM 0 HD21 LEU A 110 19.682 -57.414 -10.276 1.00 0.00 H new ATOM 0 HD22 LEU A 110 19.520 -57.497 -8.506 1.00 0.00 H new ATOM 0 HD23 LEU A 110 18.752 -56.169 -9.409 1.00 0.00 H new ATOM 656 N ARG A 111 22.813 -55.323 -5.526 1.00 0.00 N ATOM 657 CA ARG A 111 24.170 -55.434 -5.021 1.00 0.00 C ATOM 658 C ARG A 111 24.258 -56.545 -3.984 1.00 0.00 C ATOM 659 O ARG A 111 25.233 -57.295 -3.943 1.00 0.00 O ATOM 660 CB ARG A 111 24.611 -54.107 -4.410 1.00 0.00 C ATOM 661 CG ARG A 111 24.802 -53.071 -5.520 1.00 0.00 C ATOM 662 CD ARG A 111 25.087 -51.703 -4.902 1.00 0.00 C ATOM 663 NE ARG A 111 23.892 -51.186 -4.245 1.00 0.00 N ATOM 664 CZ ARG A 111 23.912 -50.028 -3.595 1.00 0.00 C ATOM 665 NH1 ARG A 111 25.016 -49.333 -3.531 1.00 0.00 N ATOM 666 NH2 ARG A 111 22.829 -49.582 -3.022 1.00 0.00 N ATOM 0 H ARG A 111 22.348 -54.441 -5.310 1.00 0.00 H new ATOM 0 HA ARG A 111 24.834 -55.678 -5.850 1.00 0.00 H new ATOM 0 HB2 ARG A 111 23.865 -53.757 -3.696 1.00 0.00 H new ATOM 0 HB3 ARG A 111 25.542 -54.240 -3.858 1.00 0.00 H new ATOM 0 HG2 ARG A 111 25.626 -53.367 -6.169 1.00 0.00 H new ATOM 0 HG3 ARG A 111 23.908 -53.021 -6.142 1.00 0.00 H new ATOM 0 HD2 ARG A 111 25.900 -51.784 -4.181 1.00 0.00 H new ATOM 0 HD3 ARG A 111 25.415 -51.008 -5.675 1.00 0.00 H new ATOM 0 HE ARG A 111 23.026 -51.723 -4.285 1.00 0.00 H new ATOM 0 HH11 ARG A 111 25.864 -49.680 -3.980 1.00 0.00 H new ATOM 0 HH12 ARG A 111 25.031 -48.444 -3.032 1.00 0.00 H new ATOM 0 HH21 ARG A 111 21.966 -50.123 -3.073 1.00 0.00 H new ATOM 0 HH22 ARG A 111 22.845 -48.693 -2.523 1.00 0.00 H new ATOM 680 N LYS A 112 23.231 -56.644 -3.149 1.00 0.00 N ATOM 681 CA LYS A 112 23.201 -57.667 -2.114 1.00 0.00 C ATOM 682 C LYS A 112 23.220 -59.058 -2.730 1.00 0.00 C ATOM 683 O LYS A 112 23.913 -59.950 -2.247 1.00 0.00 O ATOM 684 CB LYS A 112 21.938 -57.495 -1.267 1.00 0.00 C ATOM 685 CG LYS A 112 22.090 -56.264 -0.353 1.00 0.00 C ATOM 686 CD LYS A 112 22.767 -56.666 0.971 1.00 0.00 C ATOM 687 CE LYS A 112 21.718 -57.208 1.948 1.00 0.00 C ATOM 688 NZ LYS A 112 22.360 -57.478 3.261 1.00 0.00 N ATOM 0 H LYS A 112 22.414 -56.033 -3.168 1.00 0.00 H new ATOM 0 HA LYS A 112 24.085 -57.556 -1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 112 21.069 -57.375 -1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 112 21.767 -58.388 -0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 112 22.683 -55.500 -0.856 1.00 0.00 H new ATOM 0 HG3 LYS A 112 21.111 -55.828 -0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 112 23.529 -57.423 0.785 1.00 0.00 H new ATOM 0 HD3 LYS A 112 23.273 -55.805 1.407 1.00 0.00 H new ATOM 0 HE2 LYS A 112 20.909 -56.487 2.067 1.00 0.00 H new ATOM 0 HE3 LYS A 112 21.274 -58.122 1.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 21.650 -57.846 3.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 23.117 -58.181 3.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 22.763 -56.597 3.638 1.00 0.00 H new ATOM 702 N ALA A 113 22.453 -59.234 -3.799 1.00 0.00 N ATOM 703 CA ALA A 113 22.393 -60.523 -4.471 1.00 0.00 C ATOM 704 C ALA A 113 23.764 -60.902 -5.017 1.00 0.00 C ATOM 705 O ALA A 113 24.184 -62.056 -4.928 1.00 0.00 O ATOM 706 CB ALA A 113 21.382 -60.463 -5.616 1.00 0.00 C ATOM 0 H ALA A 113 21.870 -58.508 -4.215 1.00 0.00 H new ATOM 0 HA ALA A 113 22.081 -61.279 -3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 113 21.341 -61.431 -6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 113 20.397 -60.217 -5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 113 21.686 -59.698 -6.330 1.00 0.00 H new ATOM 712 N ILE A 114 24.462 -59.921 -5.577 1.00 0.00 N ATOM 713 CA ILE A 114 25.791 -60.160 -6.129 1.00 0.00 C ATOM 714 C ILE A 114 26.766 -60.560 -5.027 1.00 0.00 C ATOM 715 O ILE A 114 27.558 -61.483 -5.190 1.00 0.00 O ATOM 716 CB ILE A 114 26.303 -58.904 -6.838 1.00 0.00 C ATOM 717 CG1 ILE A 114 25.447 -58.640 -8.079 1.00 0.00 C ATOM 718 CG2 ILE A 114 27.760 -59.109 -7.263 1.00 0.00 C ATOM 719 CD1 ILE A 114 25.768 -57.252 -8.636 1.00 0.00 C ATOM 0 H ILE A 114 24.133 -58.959 -5.661 1.00 0.00 H new ATOM 0 HA ILE A 114 25.720 -60.975 -6.849 1.00 0.00 H new ATOM 0 HB ILE A 114 26.240 -58.054 -6.159 1.00 0.00 H new ATOM 0 HG12 ILE A 114 25.641 -59.400 -8.836 1.00 0.00 H new ATOM 0 HG13 ILE A 114 24.389 -58.705 -7.825 1.00 0.00 H new ATOM 0 HG21 ILE A 114 28.121 -58.213 -7.767 1.00 0.00 H new ATOM 0 HG22 ILE A 114 28.372 -59.301 -6.382 1.00 0.00 H new ATOM 0 HG23 ILE A 114 27.825 -59.959 -7.942 1.00 0.00 H new ATOM 0 HD11 ILE A 114 25.158 -57.065 -9.520 1.00 0.00 H new ATOM 0 HD12 ILE A 114 25.552 -56.498 -7.880 1.00 0.00 H new ATOM 0 HD13 ILE A 114 26.823 -57.203 -8.906 1.00 0.00 H new ATOM 731 N ALA A 115 26.711 -59.854 -3.907 1.00 0.00 N ATOM 732 CA ALA A 115 27.608 -60.142 -2.796 1.00 0.00 C ATOM 733 C ALA A 115 27.392 -61.562 -2.287 1.00 0.00 C ATOM 734 O ALA A 115 28.349 -62.271 -1.970 1.00 0.00 O ATOM 735 CB ALA A 115 27.361 -59.149 -1.660 1.00 0.00 C ATOM 0 H ALA A 115 26.062 -59.085 -3.743 1.00 0.00 H new ATOM 0 HA ALA A 115 28.635 -60.047 -3.147 1.00 0.00 H new ATOM 0 HB1 ALA A 115 28.034 -59.369 -0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 115 27.543 -58.135 -2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 115 26.329 -59.234 -1.321 1.00 0.00 H new ATOM 741 N GLU A 116 26.134 -61.972 -2.211 1.00 0.00 N ATOM 742 CA GLU A 116 25.803 -63.311 -1.743 1.00 0.00 C ATOM 743 C GLU A 116 26.373 -64.370 -2.678 1.00 0.00 C ATOM 744 O GLU A 116 26.836 -65.418 -2.231 1.00 0.00 O ATOM 745 CB GLU A 116 24.286 -63.474 -1.648 1.00 0.00 C ATOM 746 CG GLU A 116 23.748 -62.615 -0.502 1.00 0.00 C ATOM 747 CD GLU A 116 24.194 -63.193 0.837 1.00 0.00 C ATOM 748 OE1 GLU A 116 24.601 -64.342 0.856 1.00 0.00 O ATOM 749 OE2 GLU A 116 24.127 -62.477 1.821 1.00 0.00 O ATOM 0 H GLU A 116 25.329 -61.400 -2.466 1.00 0.00 H new ATOM 0 HA GLU A 116 26.245 -63.444 -0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 116 23.819 -63.179 -2.588 1.00 0.00 H new ATOM 0 HB3 GLU A 116 24.032 -64.521 -1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 116 24.108 -61.591 -0.604 1.00 0.00 H new ATOM 0 HG3 GLU A 116 22.660 -62.576 -0.546 1.00 0.00 H new ATOM 756 N SER A 117 26.328 -64.096 -3.976 1.00 0.00 N ATOM 757 CA SER A 117 26.834 -65.045 -4.958 1.00 0.00 C ATOM 758 C SER A 117 28.332 -65.273 -4.773 1.00 0.00 C ATOM 759 O SER A 117 28.814 -66.398 -4.892 1.00 0.00 O ATOM 760 CB SER A 117 26.568 -64.519 -6.369 1.00 0.00 C ATOM 761 OG SER A 117 25.164 -64.467 -6.594 1.00 0.00 O ATOM 0 H SER A 117 25.951 -63.234 -4.369 1.00 0.00 H new ATOM 0 HA SER A 117 26.318 -65.994 -4.815 1.00 0.00 H new ATOM 0 HB2 SER A 117 27.004 -63.527 -6.488 1.00 0.00 H new ATOM 0 HB3 SER A 117 27.042 -65.166 -7.106 1.00 0.00 H new ATOM 0 HG SER A 117 24.782 -63.710 -6.103 1.00 0.00 H new ATOM 767 N LEU A 118 29.062 -64.202 -4.486 1.00 0.00 N ATOM 768 CA LEU A 118 30.507 -64.308 -4.290 1.00 0.00 C ATOM 769 C LEU A 118 30.829 -64.855 -2.904 1.00 0.00 C ATOM 770 O LEU A 118 31.798 -65.591 -2.726 1.00 0.00 O ATOM 771 CB LEU A 118 31.152 -62.925 -4.471 1.00 0.00 C ATOM 772 CG LEU A 118 31.437 -62.675 -5.962 1.00 0.00 C ATOM 773 CD1 LEU A 118 32.548 -63.628 -6.464 1.00 0.00 C ATOM 774 CD2 LEU A 118 30.148 -62.906 -6.771 1.00 0.00 C ATOM 0 H LEU A 118 28.685 -63.260 -4.384 1.00 0.00 H new ATOM 0 HA LEU A 118 30.910 -64.999 -5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 118 30.490 -62.151 -4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 118 32.078 -62.868 -3.900 1.00 0.00 H new ATOM 0 HG LEU A 118 31.774 -61.647 -6.094 1.00 0.00 H new ATOM 0 HD11 LEU A 118 32.739 -63.440 -7.520 1.00 0.00 H new ATOM 0 HD12 LEU A 118 33.461 -63.455 -5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 118 32.228 -64.662 -6.332 1.00 0.00 H new ATOM 0 HD21 LEU A 118 30.346 -62.730 -7.828 1.00 0.00 H new ATOM 0 HD22 LEU A 118 29.810 -63.933 -6.631 1.00 0.00 H new ATOM 0 HD23 LEU A 118 29.375 -62.219 -6.427 1.00 0.00 H new ATOM 786 N ASN A 119 30.007 -64.494 -1.930 1.00 0.00 N ATOM 787 CA ASN A 119 30.211 -64.956 -0.568 1.00 0.00 C ATOM 788 C ASN A 119 29.883 -66.438 -0.452 1.00 0.00 C ATOM 789 O ASN A 119 30.377 -67.125 0.441 1.00 0.00 O ATOM 790 CB ASN A 119 29.340 -64.154 0.397 1.00 0.00 C ATOM 791 CG ASN A 119 29.857 -62.723 0.504 1.00 0.00 C ATOM 792 OD1 ASN A 119 29.092 -61.771 0.343 1.00 0.00 O ATOM 793 ND2 ASN A 119 31.119 -62.512 0.762 1.00 0.00 N ATOM 0 H ASN A 119 29.198 -63.886 -2.057 1.00 0.00 H new ATOM 0 HA ASN A 119 31.259 -64.808 -0.308 1.00 0.00 H new ATOM 0 HB2 ASN A 119 28.307 -64.151 0.050 1.00 0.00 H new ATOM 0 HB3 ASN A 119 29.344 -64.625 1.380 1.00 0.00 H new ATOM 0 HD21 ASN A 119 31.473 -61.558 0.831 1.00 0.00 H new ATOM 0 HD22 ASN A 119 31.751 -63.301 0.895 1.00 0.00 H new ATOM 800 N SER A 120 29.040 -66.922 -1.359 1.00 0.00 N ATOM 801 CA SER A 120 28.644 -68.324 -1.348 1.00 0.00 C ATOM 802 C SER A 120 29.729 -69.186 -1.982 1.00 0.00 C ATOM 803 O SER A 120 29.681 -70.414 -1.909 1.00 0.00 O ATOM 804 CB SER A 120 27.333 -68.503 -2.113 1.00 0.00 C ATOM 805 OG SER A 120 26.312 -67.742 -1.479 1.00 0.00 O ATOM 0 H SER A 120 28.621 -66.368 -2.106 1.00 0.00 H new ATOM 0 HA SER A 120 28.503 -68.637 -0.313 1.00 0.00 H new ATOM 0 HB2 SER A 120 27.455 -68.180 -3.147 1.00 0.00 H new ATOM 0 HB3 SER A 120 27.054 -69.556 -2.139 1.00 0.00 H new ATOM 0 HG SER A 120 26.148 -66.923 -1.992 1.00 0.00 H new ATOM 811 N CYS A 121 30.706 -68.537 -2.608 1.00 0.00 N ATOM 812 CA CYS A 121 31.795 -69.260 -3.249 1.00 0.00 C ATOM 813 C CYS A 121 31.252 -70.277 -4.243 1.00 0.00 C ATOM 814 O CYS A 121 31.429 -71.482 -4.071 1.00 0.00 O ATOM 815 CB CYS A 121 32.648 -69.974 -2.198 1.00 0.00 C ATOM 816 SG CYS A 121 33.500 -68.746 -1.179 1.00 0.00 S ATOM 0 H CYS A 121 30.765 -67.522 -2.684 1.00 0.00 H new ATOM 0 HA CYS A 121 32.413 -68.539 -3.784 1.00 0.00 H new ATOM 0 HB2 CYS A 121 32.019 -70.608 -1.573 1.00 0.00 H new ATOM 0 HB3 CYS A 121 33.374 -70.626 -2.684 1.00 0.00 H new ATOM 0 HG CYS A 121 34.223 -69.351 -0.284 1.00 0.00 H new ATOM 822 N ARG A 122 30.589 -69.787 -5.282 1.00 0.00 N ATOM 823 CA ARG A 122 30.026 -70.668 -6.300 1.00 0.00 C ATOM 824 C ARG A 122 31.030 -71.758 -6.687 1.00 0.00 C ATOM 825 O ARG A 122 30.755 -72.947 -6.528 1.00 0.00 O ATOM 826 CB ARG A 122 29.636 -69.840 -7.547 1.00 0.00 C ATOM 827 CG ARG A 122 28.132 -69.565 -7.563 1.00 0.00 C ATOM 828 CD ARG A 122 27.388 -70.805 -8.074 1.00 0.00 C ATOM 829 NE ARG A 122 27.800 -71.108 -9.439 1.00 0.00 N ATOM 830 CZ ARG A 122 27.280 -70.456 -10.473 1.00 0.00 C ATOM 831 NH1 ARG A 122 26.399 -69.517 -10.271 1.00 0.00 N ATOM 832 NH2 ARG A 122 27.655 -70.753 -11.686 1.00 0.00 N ATOM 0 H ARG A 122 30.428 -68.793 -5.443 1.00 0.00 H new ATOM 0 HA ARG A 122 29.137 -71.149 -5.893 1.00 0.00 H new ATOM 0 HB2 ARG A 122 30.183 -68.897 -7.550 1.00 0.00 H new ATOM 0 HB3 ARG A 122 29.922 -70.378 -8.451 1.00 0.00 H new ATOM 0 HG2 ARG A 122 27.788 -69.309 -6.561 1.00 0.00 H new ATOM 0 HG3 ARG A 122 27.915 -68.709 -8.202 1.00 0.00 H new ATOM 0 HD2 ARG A 122 27.595 -71.656 -7.426 1.00 0.00 H new ATOM 0 HD3 ARG A 122 26.312 -70.633 -8.040 1.00 0.00 H new ATOM 0 HE ARG A 122 28.499 -71.833 -9.603 1.00 0.00 H new ATOM 0 HH11 ARG A 122 26.110 -69.284 -9.321 1.00 0.00 H new ATOM 0 HH12 ARG A 122 25.998 -69.015 -11.063 1.00 0.00 H new ATOM 0 HH21 ARG A 122 28.347 -71.486 -11.841 1.00 0.00 H new ATOM 0 HH22 ARG A 122 27.256 -70.253 -12.480 1.00 0.00 H new ATOM 846 N PRO A 123 32.174 -71.372 -7.191 1.00 0.00 N ATOM 847 CA PRO A 123 33.233 -72.338 -7.609 1.00 0.00 C ATOM 848 C PRO A 123 33.730 -73.183 -6.435 1.00 0.00 C ATOM 849 O PRO A 123 33.796 -72.711 -5.303 1.00 0.00 O ATOM 850 CB PRO A 123 34.351 -71.431 -8.161 1.00 0.00 C ATOM 851 CG PRO A 123 34.091 -70.083 -7.567 1.00 0.00 C ATOM 852 CD PRO A 123 32.583 -69.979 -7.439 1.00 0.00 C ATOM 0 HA PRO A 123 32.872 -73.062 -8.340 1.00 0.00 H new ATOM 0 HB2 PRO A 123 35.336 -71.803 -7.878 1.00 0.00 H new ATOM 0 HB3 PRO A 123 34.326 -71.393 -9.250 1.00 0.00 H new ATOM 0 HG2 PRO A 123 34.575 -69.983 -6.595 1.00 0.00 H new ATOM 0 HG3 PRO A 123 34.486 -69.291 -8.203 1.00 0.00 H new ATOM 0 HD2 PRO A 123 32.292 -69.321 -6.620 1.00 0.00 H new ATOM 0 HD3 PRO A 123 32.128 -69.580 -8.345 1.00 0.00 H new ATOM 860 N SER A 124 34.071 -74.437 -6.719 1.00 0.00 N ATOM 861 CA SER A 124 34.557 -75.338 -5.680 1.00 0.00 C ATOM 862 C SER A 124 35.899 -74.858 -5.135 1.00 0.00 C ATOM 863 O SER A 124 36.725 -74.320 -5.872 1.00 0.00 O ATOM 864 CB SER A 124 34.712 -76.749 -6.245 1.00 0.00 C ATOM 865 OG SER A 124 35.257 -77.595 -5.240 1.00 0.00 O ATOM 0 H SER A 124 34.020 -74.849 -7.651 1.00 0.00 H new ATOM 0 HA SER A 124 33.831 -75.348 -4.867 1.00 0.00 H new ATOM 0 HB2 SER A 124 33.746 -77.131 -6.574 1.00 0.00 H new ATOM 0 HB3 SER A 124 35.364 -76.735 -7.119 1.00 0.00 H new ATOM 0 HG SER A 124 35.357 -78.503 -5.596 1.00 0.00 H new ATOM 871 N ASP A 125 36.112 -75.059 -3.838 1.00 0.00 N ATOM 872 CA ASP A 125 37.359 -74.642 -3.206 1.00 0.00 C ATOM 873 C ASP A 125 38.544 -75.377 -3.828 1.00 0.00 C ATOM 874 O ASP A 125 38.375 -76.407 -4.476 1.00 0.00 O ATOM 875 CB ASP A 125 37.314 -74.922 -1.701 1.00 0.00 C ATOM 876 CG ASP A 125 38.412 -74.138 -0.987 1.00 0.00 C ATOM 877 OD1 ASP A 125 39.022 -73.293 -1.622 1.00 0.00 O ATOM 878 OD2 ASP A 125 38.628 -74.394 0.187 1.00 0.00 O ATOM 0 H ASP A 125 35.444 -75.504 -3.209 1.00 0.00 H new ATOM 0 HA ASP A 125 37.481 -73.571 -3.366 1.00 0.00 H new ATOM 0 HB2 ASP A 125 36.339 -74.644 -1.301 1.00 0.00 H new ATOM 0 HB3 ASP A 125 37.441 -75.989 -1.518 1.00 0.00 H new ATOM 883 N ALA A 126 39.740 -74.839 -3.623 1.00 0.00 N ATOM 884 CA ALA A 126 40.948 -75.450 -4.167 1.00 0.00 C ATOM 885 C ALA A 126 41.124 -76.867 -3.633 1.00 0.00 C ATOM 886 O ALA A 126 41.658 -77.738 -4.322 1.00 0.00 O ATOM 887 CB ALA A 126 42.172 -74.608 -3.797 1.00 0.00 C ATOM 0 H ALA A 126 39.900 -73.986 -3.087 1.00 0.00 H new ATOM 0 HA ALA A 126 40.850 -75.494 -5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 126 43.070 -75.071 -4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 126 42.061 -73.605 -4.208 1.00 0.00 H new ATOM 0 HB3 ALA A 126 42.258 -74.548 -2.712 1.00 0.00 H new ATOM 893 N SER A 127 40.679 -77.092 -2.402 1.00 0.00 N ATOM 894 CA SER A 127 40.800 -78.409 -1.784 1.00 0.00 C ATOM 895 C SER A 127 39.800 -79.387 -2.391 1.00 0.00 C ATOM 896 O SER A 127 39.883 -80.592 -2.160 1.00 0.00 O ATOM 897 CB SER A 127 40.554 -78.305 -0.279 1.00 0.00 C ATOM 898 OG SER A 127 39.188 -77.982 -0.048 1.00 0.00 O ATOM 0 H SER A 127 40.234 -76.386 -1.815 1.00 0.00 H new ATOM 0 HA SER A 127 41.809 -78.778 -1.967 1.00 0.00 H new ATOM 0 HB2 SER A 127 40.804 -79.247 0.208 1.00 0.00 H new ATOM 0 HB3 SER A 127 41.199 -77.541 0.155 1.00 0.00 H new ATOM 0 HG SER A 127 39.088 -77.608 0.852 1.00 0.00 H new ATOM 904 N ALA A 128 38.856 -78.863 -3.170 1.00 0.00 N ATOM 905 CA ALA A 128 37.845 -79.704 -3.809 1.00 0.00 C ATOM 906 C ALA A 128 36.750 -80.074 -2.812 1.00 0.00 C ATOM 907 O ALA A 128 35.642 -80.442 -3.199 1.00 0.00 O ATOM 908 CB ALA A 128 38.499 -80.983 -4.367 1.00 0.00 C ATOM 0 H ALA A 128 38.770 -77.867 -3.373 1.00 0.00 H new ATOM 0 HA ALA A 128 37.396 -79.144 -4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 128 37.738 -81.603 -4.841 1.00 0.00 H new ATOM 0 HB2 ALA A 128 39.257 -80.713 -5.102 1.00 0.00 H new ATOM 0 HB3 ALA A 128 38.965 -81.538 -3.553 1.00 0.00 H new ATOM 914 N THR A 129 37.073 -79.973 -1.526 1.00 0.00 N ATOM 915 CA THR A 129 36.110 -80.301 -0.483 1.00 0.00 C ATOM 916 C THR A 129 35.137 -79.149 -0.271 1.00 0.00 C ATOM 917 O THR A 129 35.428 -78.007 -0.623 1.00 0.00 O ATOM 918 CB THR A 129 36.843 -80.603 0.827 1.00 0.00 C ATOM 919 OG1 THR A 129 37.532 -79.440 1.260 1.00 0.00 O ATOM 920 CG2 THR A 129 37.843 -81.739 0.605 1.00 0.00 C ATOM 0 H THR A 129 37.985 -79.670 -1.185 1.00 0.00 H new ATOM 0 HA THR A 129 35.548 -81.181 -0.796 1.00 0.00 H new ATOM 0 HB THR A 129 36.121 -80.902 1.587 1.00 0.00 H new ATOM 0 HG1 THR A 129 38.264 -79.243 0.639 1.00 0.00 H new ATOM 0 HG21 THR A 129 38.364 -81.953 1.538 1.00 0.00 H new ATOM 0 HG22 THR A 129 37.312 -82.631 0.273 1.00 0.00 H new ATOM 0 HG23 THR A 129 38.566 -81.444 -0.155 1.00 0.00 H new ATOM 928 N ARG A 130 33.979 -79.455 0.308 1.00 0.00 N ATOM 929 CA ARG A 130 32.964 -78.436 0.567 1.00 0.00 C ATOM 930 C ARG A 130 33.164 -77.818 1.946 1.00 0.00 C ATOM 931 O ARG A 130 33.265 -78.528 2.946 1.00 0.00 O ATOM 932 CB ARG A 130 31.569 -79.058 0.482 1.00 0.00 C ATOM 933 CG ARG A 130 30.513 -77.976 0.722 1.00 0.00 C ATOM 934 CD ARG A 130 29.121 -78.559 0.479 1.00 0.00 C ATOM 935 NE ARG A 130 28.961 -78.913 -0.927 1.00 0.00 N ATOM 936 CZ ARG A 130 27.872 -79.540 -1.358 1.00 0.00 C ATOM 937 NH1 ARG A 130 26.922 -79.851 -0.518 1.00 0.00 N ATOM 938 NH2 ARG A 130 27.751 -79.846 -2.620 1.00 0.00 N ATOM 0 H ARG A 130 33.720 -80.396 0.606 1.00 0.00 H new ATOM 0 HA ARG A 130 33.061 -77.654 -0.186 1.00 0.00 H new ATOM 0 HB2 ARG A 130 31.422 -79.514 -0.497 1.00 0.00 H new ATOM 0 HB3 ARG A 130 31.467 -79.851 1.222 1.00 0.00 H new ATOM 0 HG2 ARG A 130 30.588 -77.600 1.742 1.00 0.00 H new ATOM 0 HG3 ARG A 130 30.686 -77.130 0.057 1.00 0.00 H new ATOM 0 HD2 ARG A 130 28.974 -79.441 1.102 1.00 0.00 H new ATOM 0 HD3 ARG A 130 28.360 -77.834 0.768 1.00 0.00 H new ATOM 0 HE ARG A 130 29.698 -78.675 -1.591 1.00 0.00 H new ATOM 0 HH11 ARG A 130 27.016 -79.613 0.469 1.00 0.00 H new ATOM 0 HH12 ARG A 130 26.086 -80.332 -0.849 1.00 0.00 H new ATOM 0 HH21 ARG A 130 28.493 -79.604 -3.277 1.00 0.00 H new ATOM 0 HH22 ARG A 130 26.915 -80.327 -2.950 1.00 0.00 H new ATOM 952 N SER A 131 33.222 -76.490 1.991 1.00 0.00 N ATOM 953 CA SER A 131 33.410 -75.786 3.254 1.00 0.00 C ATOM 954 C SER A 131 32.231 -76.037 4.187 1.00 0.00 C ATOM 955 O SER A 131 32.242 -77.053 4.862 1.00 0.00 O ATOM 956 CB SER A 131 33.551 -74.286 2.999 1.00 0.00 C ATOM 957 OG SER A 131 34.797 -74.031 2.365 1.00 0.00 O ATOM 958 OXT SER A 131 31.335 -75.211 4.215 1.00 0.00 O ATOM 0 H SER A 131 33.142 -75.884 1.174 1.00 0.00 H new ATOM 0 HA SER A 131 34.318 -76.161 3.726 1.00 0.00 H new ATOM 0 HB2 SER A 131 32.732 -73.934 2.372 1.00 0.00 H new ATOM 0 HB3 SER A 131 33.490 -73.739 3.940 1.00 0.00 H new ATOM 0 HG SER A 131 34.889 -73.070 2.199 1.00 0.00 H new TER 964 SER A 131